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 1oxt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVRIIVKNVS KVFKKGKVVA LDNVNINIEN GERFGILGPS GAGKTTFMRI DATA SEQUENCE IAGLDVPSTG ELYFDDRLVA SNGKLIVPPE DRKIGMVFQT WALYPNLTAF DATA SEQUENCE ENIAFPLTNM KMSKEEIRKR VEEVAKILDI HHVLNHFPRE LSGGQQQRVA DATA SEQUENCE LARALVKDPS LLLLDEPFSN LDARMRDSAR ALVKEVQSRL GVTLLVVSHD DATA SEQUENCE PADIFAIADR VGVLVKGKLV QVGKPEDLYD NPVSIQVASL IGEINELEGK DATA SEQUENCE VTNEGVVIGS LRFPVSVSSD RAIIGIRPED VKLSKDVIKD DSWILVGKGK DATA SEQUENCE VKVIGYQGGL FRITITPLDS EEEIFTYSDH PIHSGEEVLV YVRKDKIKVF DATA SEQUENCE EK 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 V N 1.337 121.223 119.914 -0.047 0.000 2.851 2 V HA 0.643 4.761 4.120 -0.003 0.000 0.307 2 V C -1.330 174.680 176.094 -0.140 0.000 1.129 2 V CA -0.501 61.748 62.300 -0.085 0.000 0.932 2 V CB 3.197 34.952 31.823 -0.114 0.000 1.024 2 V HN 0.406 8.596 8.190 -0.000 0.000 0.426 3 R N 6.289 126.710 120.500 -0.132 0.000 2.294 3 R HA 0.616 4.955 4.340 -0.003 0.000 0.319 3 R C -1.200 174.972 176.300 -0.213 0.000 0.984 3 R CA -0.679 55.337 56.100 -0.139 0.000 0.861 3 R CB 1.163 31.416 30.300 -0.078 0.000 1.104 3 R HN 0.669 8.939 8.270 -0.000 0.000 0.451 4 I N 6.966 127.387 120.570 -0.249 0.000 2.330 4 I HA 0.291 4.460 4.170 -0.003 0.000 0.289 4 I C 0.065 176.114 176.117 -0.113 0.000 1.001 4 I CA -0.623 60.509 61.300 -0.281 0.000 1.193 4 I CB 1.351 39.126 38.000 -0.375 0.000 1.345 4 I HN 0.606 8.816 8.210 -0.000 0.000 0.461 5 I N 6.708 127.283 120.570 0.009 0.000 2.328 5 I HA 0.283 4.452 4.170 -0.003 0.000 0.287 5 I C -0.230 175.974 176.117 0.144 0.000 1.012 5 I CA -0.706 60.627 61.300 0.055 0.000 1.195 5 I CB 1.755 39.775 38.000 0.034 0.000 1.350 5 I HN 0.156 8.366 8.210 -0.000 0.000 0.464 6 V N 6.667 126.638 119.914 0.095 0.000 2.311 6 V HA 0.278 4.396 4.120 -0.003 0.000 0.275 6 V C -0.006 176.161 176.094 0.123 0.000 1.022 6 V CA -0.589 61.791 62.300 0.132 0.000 0.830 6 V CB 1.229 33.156 31.823 0.173 0.000 1.012 6 V HN 0.541 8.731 8.190 -0.000 0.000 0.452 7 K N 4.607 125.094 120.400 0.144 0.000 2.425 7 K HA 0.443 4.761 4.320 -0.003 0.000 0.259 7 K C 0.422 177.078 176.600 0.094 0.000 0.978 7 K CA -0.193 56.166 56.287 0.119 0.000 0.883 7 K CB 0.253 32.850 32.500 0.163 0.000 1.110 7 K HN 0.505 8.755 8.250 -0.000 0.000 0.436 8 N N 1.718 120.460 118.700 0.071 0.000 2.727 8 N HA -0.168 4.571 4.740 -0.003 0.000 0.249 8 N C -0.942 174.600 175.510 0.054 0.000 1.048 8 N CA 0.822 53.905 53.050 0.054 0.000 0.714 8 N CB -1.246 37.268 38.487 0.045 0.000 0.959 8 N HN 0.291 8.671 8.380 -0.000 0.000 0.544 9 V N 0.544 120.502 119.914 0.073 0.000 2.508 9 V HA 0.274 4.392 4.120 -0.003 0.000 0.281 9 V C 0.787 176.917 176.094 0.060 0.000 1.041 9 V CA 0.123 62.466 62.300 0.072 0.000 1.016 9 V CB 1.557 33.448 31.823 0.113 0.000 0.984 9 V HN 0.264 8.454 8.190 -0.000 0.000 0.478 10 S N 3.996 119.712 115.700 0.025 0.000 2.570 10 S HA 0.787 5.255 4.470 -0.003 0.000 0.286 10 S C -0.781 173.798 174.600 -0.036 0.000 1.099 10 S CA -0.917 57.286 58.200 0.005 0.000 0.913 10 S CB 2.112 65.308 63.200 -0.007 0.000 1.085 10 S HN 0.685 8.995 8.310 -0.000 0.000 0.480 11 K N 1.817 122.179 120.400 -0.064 0.000 2.565 11 K HA 0.614 4.932 4.320 -0.003 0.000 0.249 11 K C -1.183 175.266 176.600 -0.250 0.000 0.958 11 K CA -0.659 55.520 56.287 -0.181 0.000 0.806 11 K CB 1.146 33.546 32.500 -0.167 0.000 1.194 11 K HN 0.521 8.771 8.250 -0.000 0.000 0.434 12 V N 0.629 120.337 119.914 -0.345 0.000 2.919 12 V HA 0.793 4.911 4.120 -0.003 0.000 0.316 12 V C -0.823 174.968 176.094 -0.504 0.000 1.077 12 V CA -0.621 61.515 62.300 -0.273 0.000 0.977 12 V CB 1.256 33.005 31.823 -0.123 0.000 1.039 12 V HN 0.640 8.830 8.190 -0.000 0.000 0.441 13 F N -0.058 119.895 119.950 0.005 0.000 2.706 13 F HA 0.702 5.228 4.527 -0.003 0.000 0.328 13 F C 0.362 176.162 175.800 0.001 0.000 1.123 13 F CA -1.150 56.851 58.000 0.002 0.000 0.978 13 F CB 1.574 40.574 39.000 0.000 0.000 1.404 13 F HN 0.528 8.828 8.300 -0.000 0.000 0.497 14 K N 1.179 121.720 120.400 0.236 0.000 3.077 14 K HA -0.255 4.063 4.320 -0.003 0.000 0.264 14 K C -0.257 176.388 176.600 0.075 0.000 1.008 14 K CA 1.048 57.407 56.287 0.119 0.000 0.740 14 K CB -1.542 31.016 32.500 0.096 0.000 1.273 14 K HN 0.822 9.072 8.250 -0.000 0.000 0.477 15 K N -2.096 118.341 120.400 0.062 0.000 3.230 15 K HA -0.270 4.049 4.320 -0.003 0.000 0.285 15 K C 0.810 177.421 176.600 0.018 0.000 1.196 15 K CA 0.948 57.253 56.287 0.030 0.000 0.838 15 K CB -1.738 30.777 32.500 0.026 0.000 1.262 15 K HN 0.899 9.149 8.250 -0.000 0.000 0.492 16 G N 0.081 108.891 108.800 0.017 0.000 2.213 16 G HA2 -0.383 3.576 3.960 -0.003 0.000 0.236 16 G HA3 -0.383 3.576 3.960 -0.003 0.000 0.236 16 G C 0.672 175.583 174.900 0.019 0.000 0.991 16 G CA 0.775 45.877 45.100 0.004 0.000 0.629 16 G HN 0.364 8.654 8.290 -0.000 0.000 0.517 17 K N 0.250 120.671 120.400 0.035 0.000 2.097 17 K HA 0.271 4.590 4.320 -0.003 0.000 0.205 17 K C 0.805 177.433 176.600 0.047 0.000 1.050 17 K CA 1.414 57.722 56.287 0.036 0.000 0.938 17 K CB 0.010 32.531 32.500 0.035 0.000 0.718 17 K HN 0.262 8.512 8.250 -0.000 0.000 0.442 18 V N 2.393 122.353 119.914 0.078 0.000 2.370 18 V HA 0.177 4.296 4.120 -0.003 0.000 0.279 18 V C -0.674 175.481 176.094 0.102 0.000 1.029 18 V CA -0.775 61.587 62.300 0.103 0.000 0.870 18 V CB 1.567 33.484 31.823 0.156 0.000 0.984 18 V HN -0.067 8.123 8.190 -0.000 0.000 0.451 19 V N 5.476 125.433 119.914 0.072 0.000 2.304 19 V HA 0.331 4.449 4.120 -0.003 0.000 0.269 19 V C 1.120 177.262 176.094 0.080 0.000 1.036 19 V CA 0.302 62.631 62.300 0.049 0.000 0.840 19 V CB 0.771 32.609 31.823 0.025 0.000 1.036 19 V HN 1.002 9.192 8.190 -0.000 0.000 0.466 20 A N 5.715 128.608 122.820 0.121 0.000 1.968 20 A HA 0.277 4.596 4.320 -0.003 0.000 0.217 20 A C 0.744 178.391 177.584 0.106 0.000 1.169 20 A CA 1.044 53.181 52.037 0.167 0.000 0.638 20 A CB 0.067 19.273 19.000 0.343 0.000 0.812 20 A HN 0.608 8.758 8.150 -0.000 0.000 0.446 21 L N -0.575 120.689 121.223 0.069 0.000 2.431 21 L HA 0.428 4.767 4.340 -0.003 0.000 0.266 21 L C -1.711 175.181 176.870 0.037 0.000 0.978 21 L CA -0.743 54.135 54.840 0.063 0.000 0.822 21 L CB 2.372 44.492 42.059 0.101 0.000 1.310 21 L HN 0.007 8.237 8.230 -0.000 0.000 0.409 22 D N 2.742 123.161 120.400 0.031 0.000 2.440 22 D HA 0.229 4.868 4.640 -0.003 0.000 0.252 22 D C -0.368 175.946 176.300 0.022 0.000 1.180 22 D CA -0.320 53.692 54.000 0.021 0.000 0.894 22 D CB 0.818 41.627 40.800 0.015 0.000 1.111 22 D HN 0.553 8.923 8.370 -0.000 0.000 0.544 23 N N 1.576 120.292 118.700 0.026 0.000 2.725 23 N HA -0.170 4.569 4.740 -0.003 0.000 0.251 23 N C -0.798 174.733 175.510 0.035 0.000 1.031 23 N CA 0.469 53.536 53.050 0.029 0.000 0.720 23 N CB -0.531 37.968 38.487 0.020 0.000 0.930 23 N HN 0.155 8.535 8.380 -0.000 0.000 0.543 24 V N 0.765 120.711 119.914 0.052 0.000 2.470 24 V HA 0.193 4.311 4.120 -0.003 0.000 0.276 24 V C 0.503 176.639 176.094 0.070 0.000 1.040 24 V CA -0.244 62.088 62.300 0.053 0.000 1.008 24 V CB 1.074 32.944 31.823 0.079 0.000 0.990 24 V HN 0.302 8.492 8.190 -0.000 0.000 0.477 25 N N 6.098 124.826 118.700 0.046 0.000 2.399 25 N HA 0.689 5.427 4.740 -0.003 0.000 0.280 25 N C -1.019 174.508 175.510 0.028 0.000 1.008 25 N CA -0.291 52.786 53.050 0.045 0.000 0.894 25 N CB 2.486 40.992 38.487 0.032 0.000 1.273 25 N HN 0.527 8.907 8.380 -0.000 0.000 0.486 26 I N 1.293 121.875 120.570 0.021 0.000 2.722 26 I HA 0.251 4.420 4.170 -0.003 0.000 0.292 26 I C -1.085 174.991 176.117 -0.068 0.000 1.267 26 I CA -0.882 60.394 61.300 -0.039 0.000 1.036 26 I CB 2.317 40.254 38.000 -0.105 0.000 1.281 26 I HN 0.164 8.374 8.210 -0.000 0.000 0.423 27 N N 6.506 125.150 118.700 -0.094 0.000 2.479 27 N HA 0.549 5.288 4.740 -0.003 0.000 0.261 27 N C -0.914 174.498 175.510 -0.164 0.000 0.979 27 N CA -0.357 52.631 53.050 -0.103 0.000 0.930 27 N CB 2.256 40.706 38.487 -0.062 0.000 1.172 27 N HN 0.484 8.864 8.380 -0.000 0.000 0.499 28 I N 1.660 122.096 120.570 -0.223 0.000 2.331 28 I HA 0.130 4.298 4.170 -0.003 0.000 0.292 28 I C 0.659 176.699 176.117 -0.128 0.000 0.998 28 I CA -0.627 60.526 61.300 -0.246 0.000 1.267 28 I CB 0.949 38.744 38.000 -0.341 0.000 1.386 28 I HN 0.129 8.339 8.210 -0.000 0.000 0.476 29 E N 4.537 124.701 120.200 -0.061 0.000 2.349 29 E HA 0.153 4.501 4.350 -0.003 0.000 0.262 29 E C -0.457 176.120 176.600 -0.038 0.000 1.088 29 E CA -0.590 55.787 56.400 -0.039 0.000 0.899 29 E CB 0.500 30.195 29.700 -0.008 0.000 1.044 29 E HN 0.366 8.726 8.360 -0.000 0.000 0.420 30 N N 0.213 118.890 118.700 -0.038 0.000 2.365 30 N HA 0.070 4.809 4.740 -0.003 0.000 0.265 30 N C 0.932 176.435 175.510 -0.012 0.000 1.288 30 N CA 1.595 54.625 53.050 -0.032 0.000 0.869 30 N CB 0.156 38.629 38.487 -0.023 0.000 1.071 30 N HN 0.704 9.084 8.380 -0.000 0.000 0.480 31 G N 1.311 110.105 108.800 -0.009 0.000 2.189 31 G HA2 -0.341 3.618 3.960 -0.003 0.000 0.267 31 G HA3 -0.341 3.618 3.960 -0.003 0.000 0.267 31 G C 0.151 175.066 174.900 0.024 0.000 0.975 31 G CA 0.393 45.498 45.100 0.008 0.000 0.644 31 G HN 0.673 8.963 8.290 -0.000 0.000 0.537 32 E N 0.179 120.398 120.200 0.032 0.000 2.366 32 E HA 0.469 4.818 4.350 -0.003 0.000 0.266 32 E C 0.430 177.086 176.600 0.094 0.000 1.051 32 E CA -0.728 55.711 56.400 0.065 0.000 0.884 32 E CB 0.346 30.099 29.700 0.089 0.000 1.006 32 E HN 0.345 8.705 8.360 -0.000 0.000 0.417 33 R N 3.739 124.296 120.500 0.095 0.000 2.204 33 R HA 0.238 4.577 4.340 -0.003 0.000 0.341 33 R C -1.096 175.285 176.300 0.135 0.000 1.035 33 R CA -0.342 55.818 56.100 0.100 0.000 0.887 33 R CB 0.458 30.790 30.300 0.053 0.000 1.114 33 R HN 0.354 8.624 8.270 -0.000 0.000 0.473 34 F N 1.370 121.334 119.950 0.023 0.000 2.458 34 F HA 0.615 5.138 4.527 -0.007 0.000 0.336 34 F C 0.231 176.054 175.800 0.037 0.000 1.114 34 F CA -0.384 57.630 58.000 0.023 0.000 0.987 34 F CB 1.727 40.748 39.000 0.036 0.000 1.130 34 F HN 0.474 8.774 8.300 -0.000 0.000 0.458 35 G N 5.993 114.533 108.800 -0.432 0.000 2.453 35 G HA2 0.623 4.582 3.960 -0.003 0.000 0.323 35 G HA3 0.623 4.582 3.960 -0.003 0.000 0.323 35 G C -1.692 173.057 174.900 -0.252 0.000 1.198 35 G CA -0.660 44.319 45.100 -0.202 0.000 0.959 35 G HN 0.501 8.791 8.290 -0.000 0.000 0.482 36 I N 1.583 122.135 120.570 -0.029 0.000 2.418 36 I HA 0.353 4.521 4.170 -0.003 0.000 0.287 36 I C -0.944 175.157 176.117 -0.028 0.000 1.008 36 I CA -0.606 60.678 61.300 -0.026 0.000 1.104 36 I CB 1.513 39.538 38.000 0.043 0.000 1.264 36 I HN 0.287 8.497 8.210 -0.000 0.000 0.438 37 L N 6.353 127.542 121.223 -0.056 0.000 2.346 37 L HA 0.967 5.306 4.340 -0.003 0.000 0.276 37 L C -0.219 176.648 176.870 -0.005 0.000 1.006 37 L CA 0.270 55.097 54.840 -0.023 0.000 0.817 37 L CB 1.868 43.902 42.059 -0.042 0.000 1.272 37 L HN 0.717 8.947 8.230 -0.000 0.000 0.421 38 G N 3.672 112.491 108.800 0.031 0.000 2.489 38 G HA2 0.483 4.442 3.960 -0.003 0.000 0.291 38 G HA3 0.483 4.442 3.960 -0.003 0.000 0.291 38 G C -3.395 171.542 174.900 0.063 0.000 1.487 38 G CA -0.791 44.327 45.100 0.030 0.000 0.795 38 G HN 0.436 8.726 8.290 -0.000 0.000 0.513 39 P HA 0.354 4.774 4.420 -0.000 0.000 0.274 39 P C 0.438 177.747 177.300 0.016 0.000 1.246 39 P CA -0.345 62.774 63.100 0.031 0.000 0.795 39 P CB 0.981 32.684 31.700 0.005 0.000 1.006 40 S N 0.389 116.074 115.700 -0.026 0.000 2.575 40 S HA 0.268 4.737 4.470 -0.003 0.000 0.295 40 S C 1.385 175.971 174.600 -0.022 0.000 1.267 40 S CA 1.090 59.266 58.200 -0.039 0.000 1.074 40 S CB -1.661 61.484 63.200 -0.092 0.000 0.829 40 S HN 0.908 9.218 8.310 -0.000 0.000 0.497 41 G N 3.260 112.054 108.800 -0.011 0.000 2.176 41 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.253 41 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.253 41 G C 0.891 175.798 174.900 0.011 0.000 0.979 41 G CA 0.364 45.460 45.100 -0.006 0.000 0.641 41 G HN 1.483 9.773 8.290 -0.000 0.000 0.530 42 A N -0.186 122.644 122.820 0.016 0.000 2.121 42 A HA 0.487 4.806 4.320 -0.003 0.000 0.218 42 A C 2.591 180.195 177.584 0.033 0.000 1.154 42 A CA 2.308 54.356 52.037 0.018 0.000 0.679 42 A CB -0.404 18.603 19.000 0.012 0.000 0.795 42 A HN 2.521 10.671 8.150 -0.000 0.000 0.458 43 G N -1.359 107.471 108.800 0.050 0.000 2.148 43 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.157 43 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.157 43 G C 0.754 175.721 174.900 0.111 0.000 1.012 43 G CA 0.482 45.634 45.100 0.087 0.000 0.677 43 G HN 0.433 8.723 8.290 -0.000 0.000 0.506 44 K N -0.342 120.109 120.400 0.085 0.000 2.026 44 K HA -0.040 4.278 4.320 -0.003 0.000 0.208 44 K C 2.526 179.205 176.600 0.132 0.000 1.048 44 K CA 1.820 58.175 56.287 0.112 0.000 0.929 44 K CB -0.251 32.296 32.500 0.079 0.000 0.713 44 K HN 0.265 8.515 8.250 -0.000 0.000 0.439 45 T N 0.671 115.257 114.554 0.053 0.000 2.867 45 T HA -0.097 4.251 4.350 -0.003 0.000 0.268 45 T C 1.848 176.561 174.700 0.022 0.000 1.057 45 T CA 1.490 63.577 62.100 -0.023 0.000 1.136 45 T CB -0.209 68.605 68.868 -0.090 0.000 0.874 45 T HN 0.271 8.511 8.240 -0.000 0.000 0.466 46 T N 1.695 116.308 114.554 0.098 0.000 2.674 46 T HA -0.070 4.278 4.350 -0.003 0.000 0.265 46 T C 1.508 176.303 174.700 0.157 0.000 1.039 46 T CA 1.113 63.303 62.100 0.149 0.000 1.150 46 T CB -0.509 68.493 68.868 0.225 0.000 0.864 46 T HN 0.363 8.603 8.240 -0.000 0.000 0.427 47 F N 1.682 121.662 119.950 0.051 0.000 2.069 47 F HA -0.172 4.352 4.527 -0.006 0.000 0.298 47 F C 2.344 178.182 175.800 0.064 0.000 1.113 47 F CA 1.730 59.764 58.000 0.057 0.000 1.214 47 F CB -0.527 38.512 39.000 0.064 0.000 0.978 47 F HN 0.050 8.350 8.300 -0.000 0.000 0.474 48 M N 0.830 120.492 119.600 0.104 0.000 2.108 48 M HA -0.195 4.283 4.480 -0.003 0.000 0.261 48 M C 2.207 178.502 176.300 -0.007 0.000 1.066 48 M CA 1.821 57.137 55.300 0.026 0.000 1.107 48 M CB -0.574 32.062 32.600 0.060 0.000 1.356 48 M HN 0.095 8.385 8.290 -0.000 0.000 0.406 49 R N -0.442 120.044 120.500 -0.024 0.000 2.120 49 R HA -0.058 4.280 4.340 -0.003 0.000 0.234 49 R C 2.226 178.521 176.300 -0.008 0.000 1.123 49 R CA 1.744 57.845 56.100 0.003 0.000 0.975 49 R CB -0.582 29.717 30.300 -0.002 0.000 0.866 49 R HN 0.458 8.728 8.270 -0.000 0.000 0.446 50 I N 0.493 121.027 120.570 -0.060 0.000 2.286 50 I HA -0.244 3.924 4.170 -0.003 0.000 0.245 50 I C 1.946 177.992 176.117 -0.118 0.000 1.104 50 I CA 0.844 62.088 61.300 -0.093 0.000 1.397 50 I CB -0.145 37.791 38.000 -0.107 0.000 1.072 50 I HN 0.096 8.306 8.210 -0.000 0.000 0.417 51 I N 1.173 121.627 120.570 -0.194 0.000 2.286 51 I HA -0.237 3.931 4.170 -0.003 0.000 0.248 51 I C 2.789 178.950 176.117 0.072 0.000 1.115 51 I CA 1.580 62.839 61.300 -0.069 0.000 1.392 51 I CB -1.642 36.262 38.000 -0.161 0.000 1.065 51 I HN 0.161 8.371 8.210 -0.000 0.000 0.418 52 A N 0.032 122.889 122.820 0.062 0.000 2.014 52 A HA 0.165 4.483 4.320 -0.003 0.000 0.218 52 A C 2.043 179.632 177.584 0.008 0.000 1.163 52 A CA 1.444 53.535 52.037 0.090 0.000 0.652 52 A CB -0.705 18.410 19.000 0.192 0.000 0.808 52 A HN 0.599 8.749 8.150 -0.000 0.000 0.449 53 G N -1.728 107.056 108.800 -0.028 0.000 2.141 53 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.231 53 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.231 53 G C 0.651 175.537 174.900 -0.022 0.000 0.984 53 G CA 0.366 45.427 45.100 -0.065 0.000 0.660 53 G HN 0.438 8.728 8.290 -0.000 0.000 0.525 54 L N -0.503 120.731 121.223 0.017 0.000 2.492 54 L HA 0.323 4.661 4.340 -0.003 0.000 0.223 54 L C 1.027 177.911 176.870 0.023 0.000 1.132 54 L CA 0.975 55.837 54.840 0.036 0.000 0.850 54 L CB 0.053 42.157 42.059 0.075 0.000 0.966 54 L HN 0.334 8.564 8.230 -0.000 0.000 0.454 55 D N -1.456 118.948 120.400 0.007 0.000 2.677 55 D HA 0.476 5.114 4.640 -0.003 0.000 0.298 55 D C -1.279 175.004 176.300 -0.027 0.000 1.250 55 D CA -0.255 53.748 54.000 0.005 0.000 0.888 55 D CB 2.413 43.236 40.800 0.038 0.000 1.397 55 D HN -0.231 8.139 8.370 -0.000 0.000 0.461 56 V N -2.222 117.669 119.914 -0.039 0.000 3.040 56 V HA 0.808 4.926 4.120 -0.003 0.000 0.312 56 V C -2.799 173.255 176.094 -0.066 0.000 1.115 56 V CA -2.205 60.060 62.300 -0.058 0.000 0.998 56 V CB 1.635 33.420 31.823 -0.062 0.000 1.042 56 V HN 0.399 8.589 8.190 -0.000 0.000 0.433 57 P HA 0.303 4.723 4.420 -0.000 0.000 0.268 57 P C 0.683 177.941 177.300 -0.071 0.000 1.204 57 P CA 0.233 63.301 63.100 -0.053 0.000 0.768 57 P CB 1.075 32.756 31.700 -0.032 0.000 0.842 58 S N 0.756 116.401 115.700 -0.091 0.000 2.356 58 S HA -0.045 4.423 4.470 -0.003 0.000 0.223 58 S C 0.994 175.559 174.600 -0.059 0.000 1.032 58 S CA 1.589 59.733 58.200 -0.093 0.000 1.005 58 S CB -0.539 62.589 63.200 -0.121 0.000 0.867 58 S HN 0.757 9.067 8.310 -0.000 0.000 0.449 59 T N -1.777 112.751 114.554 -0.043 0.000 2.906 59 T HA 0.687 5.035 4.350 -0.003 0.000 0.295 59 T C -0.040 174.654 174.700 -0.009 0.000 1.075 59 T CA -0.229 61.856 62.100 -0.024 0.000 1.005 59 T CB 1.835 70.693 68.868 -0.017 0.000 1.136 59 T HN 0.788 9.028 8.240 -0.000 0.000 0.498 60 G N 1.194 109.995 108.800 0.001 0.000 2.655 60 G HA2 0.268 4.227 3.960 -0.003 0.000 0.680 60 G HA3 0.268 4.227 3.960 -0.003 0.000 0.680 60 G C -1.467 173.439 174.900 0.010 0.000 1.302 60 G CA -0.624 44.489 45.100 0.022 0.000 0.872 60 G HN 0.974 9.264 8.290 -0.000 0.000 0.540 61 E N -1.401 118.824 120.200 0.041 0.000 2.343 61 E HA 0.768 5.116 4.350 -0.003 0.000 0.270 61 E C -0.801 175.813 176.600 0.024 0.000 0.895 61 E CA -0.839 55.554 56.400 -0.011 0.000 0.767 61 E CB 2.468 32.182 29.700 0.024 0.000 1.248 61 E HN 0.926 9.286 8.360 -0.000 0.000 0.440 62 L N 2.175 123.328 121.223 -0.116 0.000 2.406 62 L HA 0.538 4.876 4.340 -0.003 0.000 0.272 62 L C -1.990 174.843 176.870 -0.062 0.000 0.980 62 L CA -0.461 54.388 54.840 0.015 0.000 0.831 62 L CB 0.727 42.792 42.059 0.010 0.000 1.253 62 L HN 0.499 8.729 8.230 -0.000 0.000 0.406 63 Y N 4.486 124.879 120.300 0.155 0.000 2.446 63 Y HA 0.601 5.152 4.550 0.001 0.000 0.345 63 Y C -0.832 175.288 175.900 0.365 0.000 0.984 63 Y CA -0.572 57.645 58.100 0.195 0.000 1.058 63 Y CB 1.820 40.336 38.460 0.093 0.000 1.220 63 Y HN 0.369 8.649 8.280 -0.000 0.000 0.455 64 F N 3.462 123.482 119.950 0.117 0.000 2.332 64 F HA 0.314 4.844 4.527 0.005 0.000 0.368 64 F C 0.455 176.299 175.800 0.073 0.000 1.110 64 F CA -0.962 57.076 58.000 0.063 0.000 1.087 64 F CB 0.270 39.284 39.000 0.022 0.000 1.235 64 F HN 0.637 8.937 8.300 -0.000 0.000 0.470 65 D N 1.026 121.500 120.400 0.122 0.000 3.608 65 D HA -0.309 4.329 4.640 -0.003 0.000 0.152 65 D C 0.986 177.360 176.300 0.124 0.000 0.971 65 D CA 1.985 56.035 54.000 0.083 0.000 1.072 65 D CB -0.490 40.357 40.800 0.078 0.000 0.507 65 D HN 0.580 8.950 8.370 -0.000 0.000 0.520 66 D N 0.828 121.298 120.400 0.117 0.000 2.339 66 D HA 0.024 4.663 4.640 -0.003 0.000 0.217 66 D C 0.375 176.816 176.300 0.235 0.000 1.050 66 D CA 0.219 54.299 54.000 0.135 0.000 0.856 66 D CB -0.243 40.600 40.800 0.071 0.000 0.922 66 D HN 0.233 8.603 8.370 -0.000 0.000 0.518 67 R N 0.601 121.235 120.500 0.223 0.000 2.267 67 R HA 0.301 4.639 4.340 -0.003 0.000 0.319 67 R C -0.430 175.942 176.300 0.119 0.000 1.067 67 R CA -0.889 55.303 56.100 0.154 0.000 0.936 67 R CB 0.980 31.338 30.300 0.096 0.000 1.006 67 R HN 0.055 8.325 8.270 -0.000 0.000 0.452 68 L N 5.611 126.820 121.223 -0.024 0.000 2.456 68 L HA 0.018 4.357 4.340 -0.003 0.000 0.277 68 L C 0.882 177.604 176.870 -0.247 0.000 1.124 68 L CA 0.348 54.971 54.840 -0.362 0.000 0.880 68 L CB 1.201 43.053 42.059 -0.346 0.000 1.192 68 L HN 0.663 8.893 8.230 -0.000 0.000 0.463 69 V N 2.440 122.195 119.914 -0.266 0.000 3.565 69 V HA 0.700 4.818 4.120 -0.003 0.000 0.260 69 V C 0.653 176.609 176.094 -0.229 0.000 1.231 69 V CA 0.600 62.742 62.300 -0.263 0.000 1.100 69 V CB -0.504 31.058 31.823 -0.434 0.000 0.807 69 V HN 0.891 9.081 8.190 -0.000 0.000 0.454 70 A N -0.582 122.104 122.820 -0.222 0.000 2.589 70 A HA 0.812 5.131 4.320 -0.003 0.000 0.296 70 A C -0.653 176.830 177.584 -0.168 0.000 1.062 70 A CA 0.219 52.156 52.037 -0.167 0.000 0.686 70 A CB 1.759 20.677 19.000 -0.136 0.000 1.282 70 A HN 0.692 8.842 8.150 -0.000 0.000 0.404 71 S N 1.608 117.233 115.700 -0.124 0.000 2.584 71 S HA 0.453 4.922 4.470 -0.003 0.000 0.280 71 S C -0.676 173.883 174.600 -0.069 0.000 1.162 71 S CA -0.504 57.634 58.200 -0.104 0.000 0.951 71 S CB 0.430 63.559 63.200 -0.118 0.000 1.108 71 S HN 1.046 9.356 8.310 -0.000 0.000 0.464 72 N N 3.103 121.771 118.700 -0.053 0.000 2.696 72 N HA -0.229 4.509 4.740 -0.003 0.000 0.271 72 N C 0.967 176.449 175.510 -0.046 0.000 0.997 72 N CA 1.573 54.598 53.050 -0.042 0.000 0.801 72 N CB -1.253 37.215 38.487 -0.031 0.000 0.913 72 N HN 1.568 9.948 8.380 -0.000 0.000 0.557 73 G N -1.152 107.615 108.800 -0.054 0.000 2.176 73 G HA2 -0.353 3.606 3.960 -0.003 0.000 0.253 73 G HA3 -0.353 3.606 3.960 -0.003 0.000 0.253 73 G C 0.038 174.908 174.900 -0.050 0.000 0.979 73 G CA 0.828 45.896 45.100 -0.053 0.000 0.641 73 G HN 0.674 8.964 8.290 -0.000 0.000 0.530 74 K N 0.294 120.661 120.400 -0.056 0.000 2.274 74 K HA 0.713 5.032 4.320 -0.003 0.000 0.262 74 K C -0.252 176.306 176.600 -0.071 0.000 0.961 74 K CA -1.069 55.184 56.287 -0.057 0.000 0.833 74 K CB 1.071 33.538 32.500 -0.055 0.000 1.102 74 K HN 0.236 8.486 8.250 -0.000 0.000 0.436 75 L N 7.241 128.424 121.223 -0.065 0.000 2.295 75 L HA 0.302 4.640 4.340 -0.003 0.000 0.288 75 L C 0.167 176.987 176.870 -0.083 0.000 1.079 75 L CA 0.428 55.221 54.840 -0.078 0.000 0.830 75 L CB -0.039 41.983 42.059 -0.062 0.000 1.200 75 L HN 0.908 9.138 8.230 -0.000 0.000 0.438 76 I N 3.922 124.428 120.570 -0.106 0.000 2.385 76 I HA 0.034 4.202 4.170 -0.003 0.000 0.244 76 I C 0.111 176.164 176.117 -0.106 0.000 1.089 76 I CA 0.480 61.719 61.300 -0.102 0.000 1.410 76 I CB 0.123 38.053 38.000 -0.117 0.000 1.117 76 I HN 0.254 8.464 8.210 -0.000 0.000 0.429 77 V N 3.212 123.041 119.914 -0.141 0.000 2.378 77 V HA 0.326 4.444 4.120 -0.003 0.000 0.288 77 V C -2.350 173.648 176.094 -0.159 0.000 1.016 77 V CA -1.591 60.620 62.300 -0.148 0.000 0.840 77 V CB 1.262 32.970 31.823 -0.192 0.000 0.994 77 V HN 0.023 8.213 8.190 -0.000 0.000 0.431 78 P HA 0.324 4.744 4.420 -0.000 0.000 0.276 78 P C -2.245 174.992 177.300 -0.105 0.000 1.261 78 P CA -1.825 61.218 63.100 -0.096 0.000 0.800 78 P CB 0.345 32.008 31.700 -0.062 0.000 1.066 79 P HA -0.233 4.187 4.420 -0.000 0.000 0.216 79 P C 1.396 178.666 177.300 -0.051 0.000 1.157 79 P CA 1.754 64.817 63.100 -0.061 0.000 0.880 79 P CB -0.329 31.361 31.700 -0.018 0.000 0.791 80 E N -0.588 119.589 120.200 -0.039 0.000 2.333 80 E HA -0.182 4.166 4.350 -0.003 0.000 0.198 80 E C 0.448 177.024 176.600 -0.040 0.000 1.007 80 E CA 1.261 57.641 56.400 -0.033 0.000 0.845 80 E CB -0.882 28.801 29.700 -0.029 0.000 0.766 80 E HN 0.262 8.622 8.360 -0.000 0.000 0.507 81 D N 0.562 120.927 120.400 -0.058 0.000 2.363 81 D HA 0.127 4.765 4.640 -0.003 0.000 0.214 81 D C 1.112 177.369 176.300 -0.071 0.000 1.093 81 D CA -0.040 53.925 54.000 -0.059 0.000 0.837 81 D CB 0.161 40.921 40.800 -0.067 0.000 0.948 81 D HN 0.163 8.533 8.370 -0.000 0.000 0.507 82 R N 0.792 121.242 120.500 -0.083 0.000 2.334 82 R HA 0.116 4.455 4.340 -0.003 0.000 0.216 82 R C 0.019 176.359 176.300 0.066 0.000 0.905 82 R CA -0.091 55.952 56.100 -0.097 0.000 1.064 82 R CB 0.369 30.528 30.300 -0.235 0.000 1.046 82 R HN -0.093 8.177 8.270 -0.000 0.000 0.508 83 K N 0.973 121.400 120.400 0.045 0.000 3.419 83 K HA -0.188 4.130 4.320 -0.003 0.000 0.272 83 K C -0.668 175.984 176.600 0.086 0.000 0.973 83 K CA 0.848 57.173 56.287 0.063 0.000 0.749 83 K CB -1.617 30.930 32.500 0.079 0.000 1.403 83 K HN 0.299 8.549 8.250 -0.000 0.000 0.456 84 I N -0.183 120.424 120.570 0.062 0.000 2.646 84 I HA 0.421 4.590 4.170 -0.003 0.000 0.299 84 I C 0.823 176.944 176.117 0.007 0.000 1.036 84 I CA -0.844 60.491 61.300 0.059 0.000 1.074 84 I CB 2.214 40.259 38.000 0.076 0.000 1.258 84 I HN 0.215 8.425 8.210 -0.000 0.000 0.430 85 G N 5.708 114.502 108.800 -0.010 0.000 2.470 85 G HA2 0.732 4.691 3.960 -0.003 0.000 0.320 85 G HA3 0.732 4.691 3.960 -0.003 0.000 0.320 85 G C -0.941 173.895 174.900 -0.107 0.000 1.245 85 G CA -0.554 44.519 45.100 -0.044 0.000 0.935 85 G HN 0.419 8.709 8.290 -0.000 0.000 0.476 86 M N 2.116 121.599 119.600 -0.194 0.000 2.243 86 M HA 0.388 4.867 4.480 -0.003 0.000 0.324 86 M C -0.931 175.125 176.300 -0.407 0.000 1.031 86 M CA -0.777 54.268 55.300 -0.426 0.000 0.949 86 M CB 2.709 34.906 32.600 -0.671 0.000 1.615 86 M HN 0.154 8.444 8.290 -0.000 0.000 0.430 87 V N 4.670 124.348 119.914 -0.392 0.000 2.357 87 V HA 0.420 4.539 4.120 -0.003 0.000 0.281 87 V C -0.387 175.612 176.094 -0.157 0.000 1.015 87 V CA -0.367 61.797 62.300 -0.226 0.000 0.827 87 V CB 0.609 32.366 31.823 -0.109 0.000 1.018 87 V HN 0.783 8.973 8.190 -0.000 0.000 0.432 88 F N 1.269 121.163 119.950 -0.092 0.000 2.317 88 F HA 0.176 4.701 4.527 -0.004 0.000 0.266 88 F C 2.078 177.763 175.800 -0.192 0.000 0.913 88 F CA -0.401 57.529 58.000 -0.116 0.000 1.117 88 F CB 0.376 39.329 39.000 -0.077 0.000 1.980 88 F HN 0.360 8.660 8.300 -0.000 0.000 0.600 89 Q N -0.216 119.617 119.800 0.055 0.000 2.135 89 Q HA -0.114 4.224 4.340 -0.003 0.000 0.204 89 Q C 0.254 176.090 176.000 -0.275 0.000 0.981 89 Q CA 1.725 57.457 55.803 -0.120 0.000 0.856 89 Q CB -0.099 28.574 28.738 -0.109 0.000 0.902 89 Q HN 0.688 8.958 8.270 -0.000 0.000 0.425 90 T N -3.587 110.806 114.554 -0.269 0.000 2.870 90 T HA 0.214 4.562 4.350 -0.003 0.000 0.277 90 T C 0.128 174.593 174.700 -0.391 0.000 1.000 90 T CA -0.856 60.952 62.100 -0.488 0.000 0.982 90 T CB 0.268 68.969 68.868 -0.278 0.000 1.249 90 T HN 0.299 8.539 8.240 -0.000 0.000 0.589 91 W N 0.199 121.477 121.300 -0.037 0.000 3.405 91 W HA 0.411 5.069 4.660 -0.003 0.000 0.300 91 W C 1.359 177.836 176.519 -0.069 0.000 1.286 91 W CA -0.384 56.932 57.345 -0.048 0.000 1.762 91 W CB -1.419 28.020 29.460 -0.034 0.000 1.087 91 W HN 0.992 9.172 8.180 -0.000 0.000 0.703 92 A N 1.586 124.449 122.820 0.072 0.000 2.155 92 A HA -0.207 4.111 4.320 -0.003 0.000 0.277 92 A C 0.409 177.931 177.584 -0.104 0.000 1.316 92 A CA 0.897 52.911 52.037 -0.037 0.000 0.860 92 A CB -1.912 17.037 19.000 -0.085 0.000 1.025 92 A HN 0.321 8.471 8.150 -0.000 0.000 0.354 93 L N -1.014 120.214 121.223 0.008 0.000 2.417 93 L HA 0.281 4.619 4.340 -0.003 0.000 0.268 93 L C 0.461 177.270 176.870 -0.101 0.000 1.158 93 L CA -0.807 54.020 54.840 -0.023 0.000 0.819 93 L CB 0.407 42.506 42.059 0.067 0.000 1.112 93 L HN 0.408 8.638 8.230 -0.000 0.000 0.458 94 Y N 3.423 123.712 120.300 -0.018 0.000 2.537 94 Y HA 0.058 4.606 4.550 -0.003 0.000 0.339 94 Y C -1.162 174.755 175.900 0.029 0.000 1.066 94 Y CA -1.466 56.613 58.100 -0.035 0.000 1.357 94 Y CB 0.150 38.537 38.460 -0.122 0.000 1.175 94 Y HN 0.450 8.730 8.280 -0.000 0.000 0.525 95 P HA -0.175 4.245 4.420 -0.000 0.000 0.218 95 P C -0.145 177.231 177.300 0.127 0.000 1.149 95 P CA 1.557 64.723 63.100 0.111 0.000 0.817 95 P CB 0.336 32.065 31.700 0.048 0.000 0.785 96 N N -1.054 117.726 118.700 0.133 0.000 2.276 96 N HA 0.146 4.884 4.740 -0.003 0.000 0.212 96 N C -0.391 175.307 175.510 0.313 0.000 1.127 96 N CA -0.418 52.694 53.050 0.102 0.000 0.834 96 N CB 0.091 38.588 38.487 0.016 0.000 1.014 96 N HN 0.048 8.428 8.380 -0.000 0.000 0.491 97 L N 0.760 122.192 121.223 0.349 0.000 2.362 97 L HA 0.297 4.636 4.340 -0.003 0.000 0.271 97 L C 0.823 177.819 176.870 0.211 0.000 1.002 97 L CA -0.763 54.235 54.840 0.263 0.000 0.818 97 L CB 1.536 43.664 42.059 0.115 0.000 1.298 97 L HN 0.036 8.266 8.230 -0.000 0.000 0.420 98 T N -0.729 113.800 114.554 -0.042 0.000 2.748 98 T HA 0.323 4.671 4.350 -0.003 0.000 0.304 98 T C 1.392 176.083 174.700 -0.015 0.000 1.041 98 T CA 0.057 62.020 62.100 -0.228 0.000 1.033 98 T CB 0.554 69.244 68.868 -0.297 0.000 0.995 98 T HN 0.657 8.897 8.240 -0.000 0.000 0.536 99 A N 0.806 123.613 122.820 -0.022 0.000 1.908 99 A HA -0.021 4.297 4.320 -0.003 0.000 0.218 99 A C 1.952 179.554 177.584 0.029 0.000 1.181 99 A CA 1.780 53.819 52.037 0.003 0.000 0.627 99 A CB -1.324 17.655 19.000 -0.034 0.000 0.818 99 A HN 0.910 9.060 8.150 -0.000 0.000 0.445 100 F N 0.917 120.820 119.950 -0.078 0.000 2.069 100 F HA -0.221 4.305 4.527 -0.002 0.000 0.298 100 F C 2.242 178.037 175.800 -0.008 0.000 1.113 100 F CA 2.422 60.390 58.000 -0.053 0.000 1.214 100 F CB -0.286 38.668 39.000 -0.077 0.000 0.978 100 F HN 0.376 8.676 8.300 -0.000 0.000 0.474 101 E N -0.125 120.187 120.200 0.186 0.000 2.110 101 E HA -0.227 4.121 4.350 -0.003 0.000 0.193 101 E C 1.821 178.454 176.600 0.055 0.000 0.988 101 E CA 1.450 57.928 56.400 0.130 0.000 0.804 101 E CB -0.345 29.452 29.700 0.162 0.000 0.745 101 E HN 0.534 8.894 8.360 -0.000 0.000 0.458 102 N N 0.561 119.293 118.700 0.054 0.000 2.084 102 N HA -0.129 4.609 4.740 -0.003 0.000 0.190 102 N C 1.755 177.304 175.510 0.066 0.000 1.030 102 N CA 1.091 54.195 53.050 0.091 0.000 0.849 102 N CB -0.014 38.527 38.487 0.090 0.000 1.012 102 N HN 0.097 8.477 8.380 -0.000 0.000 0.423 103 I N 0.085 120.626 120.570 -0.047 0.000 2.439 103 I HA -0.134 4.035 4.170 -0.003 0.000 0.251 103 I C 2.101 178.135 176.117 -0.138 0.000 1.139 103 I CA 0.611 61.857 61.300 -0.090 0.000 1.438 103 I CB -0.230 37.681 38.000 -0.149 0.000 1.085 103 I HN 0.149 8.359 8.210 -0.000 0.000 0.427 104 A N 0.439 123.104 122.820 -0.259 0.000 2.066 104 A HA -0.176 4.143 4.320 -0.003 0.000 0.218 104 A C 2.132 179.688 177.584 -0.046 0.000 1.157 104 A CA 0.717 52.607 52.037 -0.244 0.000 0.670 104 A CB -0.784 17.977 19.000 -0.399 0.000 0.804 104 A HN 0.399 8.549 8.150 -0.000 0.000 0.453 105 F N 1.678 121.569 119.950 -0.098 0.000 2.063 105 F HA -0.131 4.394 4.527 -0.003 0.000 0.298 105 F C -0.794 174.984 175.800 -0.037 0.000 1.109 105 F CA 2.214 60.182 58.000 -0.054 0.000 1.212 105 F CB -1.041 37.946 39.000 -0.022 0.000 0.973 105 F HN 0.191 8.491 8.300 -0.000 0.000 0.480 106 P HA -0.094 4.326 4.420 -0.000 0.000 0.228 106 P C 1.299 178.512 177.300 -0.146 0.000 1.151 106 P CA 1.310 64.347 63.100 -0.105 0.000 0.770 106 P CB -0.156 31.547 31.700 0.005 0.000 0.786 107 L N -2.233 118.907 121.223 -0.138 0.000 2.607 107 L HA 0.083 4.421 4.340 -0.003 0.000 0.228 107 L C 1.814 178.605 176.870 -0.132 0.000 1.123 107 L CA 0.361 55.134 54.840 -0.112 0.000 0.890 107 L CB -0.988 41.022 42.059 -0.082 0.000 1.103 107 L HN -0.054 8.176 8.230 -0.000 0.000 0.468 108 T N 0.311 114.736 114.554 -0.214 0.000 2.699 108 T HA -0.205 4.144 4.350 -0.003 0.000 0.268 108 T C 1.005 175.619 174.700 -0.144 0.000 1.036 108 T CA 1.724 63.701 62.100 -0.204 0.000 1.147 108 T CB -0.260 68.391 68.868 -0.362 0.000 0.862 108 T HN 0.445 8.685 8.240 -0.000 0.000 0.446 109 N N 0.032 118.642 118.700 -0.150 0.000 2.467 109 N HA 0.253 4.991 4.740 -0.003 0.000 0.278 109 N C 0.121 175.585 175.510 -0.077 0.000 1.306 109 N CA -0.205 52.784 53.050 -0.102 0.000 0.905 109 N CB 0.445 38.870 38.487 -0.103 0.000 1.236 109 N HN 0.087 8.467 8.380 -0.000 0.000 0.509 110 M N 0.251 119.809 119.600 -0.071 0.000 2.475 110 M HA 0.205 4.683 4.480 -0.003 0.000 0.283 110 M C 0.184 176.462 176.300 -0.037 0.000 1.165 110 M CA 0.089 55.358 55.300 -0.052 0.000 0.976 110 M CB -0.467 32.102 32.600 -0.052 0.000 1.428 110 M HN -0.077 8.213 8.290 -0.000 0.000 0.495 111 K N 0.289 120.668 120.400 -0.035 0.000 3.117 111 K HA -0.120 4.198 4.320 -0.003 0.000 0.269 111 K C -0.641 175.948 176.600 -0.018 0.000 1.098 111 K CA 0.745 57.017 56.287 -0.024 0.000 0.785 111 K CB -1.811 30.677 32.500 -0.020 0.000 1.242 111 K HN 0.426 8.676 8.250 -0.000 0.000 0.491 112 M N 0.277 119.866 119.600 -0.019 0.000 2.364 112 M HA 0.293 4.772 4.480 -0.003 0.000 0.334 112 M C 0.646 176.944 176.300 -0.002 0.000 1.107 112 M CA -0.700 54.594 55.300 -0.010 0.000 0.988 112 M CB 2.014 34.607 32.600 -0.012 0.000 1.673 112 M HN 0.225 8.515 8.290 -0.000 0.000 0.441 113 S N 1.666 117.369 115.700 0.005 0.000 2.608 113 S HA 0.200 4.669 4.470 -0.003 0.000 0.261 113 S C 0.952 175.567 174.600 0.025 0.000 1.314 113 S CA -0.518 57.689 58.200 0.012 0.000 0.992 113 S CB 1.080 64.288 63.200 0.012 0.000 0.935 113 S HN 0.871 9.181 8.310 -0.000 0.000 0.564 114 K N 0.352 120.771 120.400 0.031 0.000 2.044 114 K HA -0.214 4.105 4.320 -0.003 0.000 0.210 114 K C 2.083 178.723 176.600 0.067 0.000 1.049 114 K CA 1.962 58.281 56.287 0.052 0.000 0.927 114 K CB -0.352 32.173 32.500 0.042 0.000 0.713 114 K HN 0.757 9.007 8.250 -0.000 0.000 0.443 115 E N 0.856 121.084 120.200 0.048 0.000 2.106 115 E HA -0.161 4.187 4.350 -0.003 0.000 0.192 115 E C 1.558 178.190 176.600 0.054 0.000 0.984 115 E CA 1.544 57.974 56.400 0.050 0.000 0.806 115 E CB 0.112 29.832 29.700 0.033 0.000 0.750 115 E HN 0.353 8.713 8.360 -0.000 0.000 0.458 116 E N -0.208 120.016 120.200 0.040 0.000 2.077 116 E HA -0.153 4.196 4.350 -0.003 0.000 0.193 116 E C 2.129 178.752 176.600 0.038 0.000 0.989 116 E CA 1.195 57.614 56.400 0.032 0.000 0.800 116 E CB -0.115 29.596 29.700 0.017 0.000 0.746 116 E HN 0.350 8.710 8.360 -0.000 0.000 0.452 117 I N 0.657 121.254 120.570 0.045 0.000 2.142 117 I HA -0.278 3.890 4.170 -0.003 0.000 0.240 117 I C 2.741 178.911 176.117 0.089 0.000 1.078 117 I CA 0.992 62.316 61.300 0.040 0.000 1.343 117 I CB -0.235 37.793 38.000 0.046 0.000 1.046 117 I HN 0.041 8.251 8.210 -0.000 0.000 0.405 118 R N 1.430 122.040 120.500 0.183 0.000 2.096 118 R HA -0.230 4.108 4.340 -0.003 0.000 0.240 118 R C 2.282 178.701 176.300 0.197 0.000 1.139 118 R CA 1.826 58.103 56.100 0.296 0.000 0.952 118 R CB -0.104 30.325 30.300 0.216 0.000 0.854 118 R HN 0.305 8.575 8.270 -0.000 0.000 0.436 119 K N -0.354 120.117 120.400 0.118 0.000 2.026 119 K HA -0.199 4.119 4.320 -0.003 0.000 0.208 119 K C 2.243 178.886 176.600 0.072 0.000 1.048 119 K CA 1.577 57.917 56.287 0.089 0.000 0.929 119 K CB -0.204 32.331 32.500 0.058 0.000 0.713 119 K HN 0.003 8.253 8.250 -0.000 0.000 0.439 120 R N 1.305 121.833 120.500 0.046 0.000 2.073 120 R HA -0.099 4.239 4.340 -0.003 0.000 0.234 120 R C 1.948 178.256 176.300 0.014 0.000 1.134 120 R CA 1.376 57.488 56.100 0.021 0.000 0.952 120 R CB -0.783 29.517 30.300 -0.001 0.000 0.850 120 R HN -0.029 8.241 8.270 -0.000 0.000 0.433 121 V N 1.222 121.130 119.914 -0.010 0.000 2.255 121 V HA -0.239 3.879 4.120 -0.003 0.000 0.247 121 V C 2.172 178.301 176.094 0.058 0.000 1.051 121 V CA 2.327 64.589 62.300 -0.064 0.000 1.018 121 V CB -0.525 31.107 31.823 -0.318 0.000 0.641 121 V HN 0.445 8.635 8.190 -0.000 0.000 0.445 122 E N -0.369 119.930 120.200 0.165 0.000 2.110 122 E HA -0.284 4.065 4.350 -0.003 0.000 0.193 122 E C 2.266 178.986 176.600 0.200 0.000 0.988 122 E CA 1.451 58.017 56.400 0.277 0.000 0.804 122 E CB -0.112 29.782 29.700 0.324 0.000 0.745 122 E HN 0.738 9.098 8.360 -0.000 0.000 0.458 123 E N 0.753 121.017 120.200 0.106 0.000 2.051 123 E HA -0.172 4.177 4.350 -0.003 0.000 0.192 123 E C 2.138 178.769 176.600 0.051 0.000 0.991 123 E CA 1.232 57.666 56.400 0.057 0.000 0.799 123 E CB 0.150 29.873 29.700 0.038 0.000 0.748 123 E HN 0.034 8.394 8.360 -0.000 0.000 0.449 124 V N 1.314 121.255 119.914 0.046 0.000 2.427 124 V HA -0.220 3.899 4.120 -0.003 0.000 0.248 124 V C 2.496 178.621 176.094 0.051 0.000 1.051 124 V CA 1.670 63.991 62.300 0.034 0.000 1.048 124 V CB -0.692 31.139 31.823 0.012 0.000 0.666 124 V HN 0.460 8.650 8.190 -0.000 0.000 0.456 125 A N -0.274 122.593 122.820 0.079 0.000 1.902 125 A HA -0.242 4.076 4.320 -0.003 0.000 0.217 125 A C 2.302 179.970 177.584 0.139 0.000 1.181 125 A CA 1.980 54.080 52.037 0.105 0.000 0.623 125 A CB -0.411 18.672 19.000 0.139 0.000 0.818 125 A HN 0.528 8.678 8.150 -0.000 0.000 0.443 126 K N -0.485 119.998 120.400 0.138 0.000 2.057 126 K HA -0.039 4.279 4.320 -0.003 0.000 0.206 126 K C 1.745 178.374 176.600 0.049 0.000 1.050 126 K CA 1.248 57.580 56.287 0.073 0.000 0.935 126 K CB -0.220 32.263 32.500 -0.028 0.000 0.715 126 K HN 0.393 8.643 8.250 -0.000 0.000 0.439 127 I N 0.979 121.574 120.570 0.040 0.000 2.315 127 I HA -0.205 3.963 4.170 -0.003 0.000 0.248 127 I C 1.756 177.896 176.117 0.038 0.000 1.117 127 I CA 1.171 62.489 61.300 0.030 0.000 1.404 127 I CB -0.570 37.445 38.000 0.025 0.000 1.071 127 I HN 0.194 8.404 8.210 -0.000 0.000 0.419 128 L N 0.178 121.429 121.223 0.048 0.000 2.591 128 L HA 0.027 4.365 4.340 -0.003 0.000 0.228 128 L C 0.347 177.254 176.870 0.062 0.000 1.133 128 L CA 0.606 55.475 54.840 0.047 0.000 0.880 128 L CB -1.269 40.813 42.059 0.038 0.000 1.033 128 L HN 0.284 8.514 8.230 -0.000 0.000 0.450 129 D N 0.838 121.288 120.400 0.083 0.000 2.723 129 D HA -0.242 4.396 4.640 -0.003 0.000 0.236 129 D C 0.757 177.174 176.300 0.196 0.000 1.138 129 D CA 0.762 54.839 54.000 0.129 0.000 0.676 129 D CB -1.035 39.821 40.800 0.094 0.000 1.069 129 D HN 0.593 8.963 8.370 -0.000 0.000 0.430 130 I N -3.826 116.821 120.570 0.129 0.000 3.966 130 I HA 0.232 4.401 4.170 -0.003 0.000 0.324 130 I C 1.617 177.726 176.117 -0.014 0.000 1.517 130 I CA -0.857 60.427 61.300 -0.027 0.000 1.117 130 I CB 0.199 38.143 38.000 -0.094 0.000 1.190 130 I HN 0.014 8.224 8.210 -0.000 0.000 0.466 131 H N 3.511 122.631 119.070 0.083 0.000 2.422 131 H HA -0.209 4.345 4.556 -0.003 0.000 0.298 131 H C 1.753 177.121 175.328 0.067 0.000 1.098 131 H CA 2.337 58.433 56.048 0.080 0.000 1.315 131 H CB 0.023 29.845 29.762 0.100 0.000 1.382 131 H HN 0.699 8.979 8.280 -0.000 0.000 0.523 132 H N 0.047 119.136 119.070 0.032 0.000 2.555 132 H HA 0.042 4.597 4.556 -0.003 0.000 0.269 132 H C 1.336 176.588 175.328 -0.128 0.000 0.988 132 H CA 1.005 57.039 56.048 -0.023 0.000 1.178 132 H CB -0.624 29.146 29.762 0.014 0.000 1.373 132 H HN 0.303 8.583 8.280 -0.000 0.000 0.588 133 V N -1.765 117.821 119.914 -0.547 0.000 2.988 133 V HA 0.235 4.353 4.120 -0.003 0.000 0.356 133 V C 1.602 177.520 176.094 -0.293 0.000 1.380 133 V CA -0.355 61.572 62.300 -0.622 0.000 1.184 133 V CB -0.441 30.820 31.823 -0.937 0.000 1.204 133 V HN 0.114 8.304 8.190 -0.000 0.000 0.530 134 L N 0.483 121.596 121.223 -0.183 0.000 2.275 134 L HA -0.004 4.335 4.340 -0.003 0.000 0.215 134 L C 2.013 178.863 176.870 -0.032 0.000 1.119 134 L CA 1.841 56.636 54.840 -0.075 0.000 0.790 134 L CB -0.317 41.708 42.059 -0.056 0.000 0.919 134 L HN 0.482 8.712 8.230 -0.000 0.000 0.443 135 N N -2.469 116.210 118.700 -0.035 0.000 2.398 135 N HA -0.018 4.720 4.740 -0.003 0.000 0.188 135 N C -0.052 175.389 175.510 -0.115 0.000 1.122 135 N CA -0.041 52.959 53.050 -0.084 0.000 0.866 135 N CB 0.116 38.554 38.487 -0.082 0.000 0.970 135 N HN 0.243 8.623 8.380 -0.000 0.000 0.462 136 H N -0.373 118.571 119.070 -0.210 0.000 2.629 136 H HA 0.194 4.748 4.556 -0.002 0.000 0.357 136 H C -0.185 175.003 175.328 -0.234 0.000 1.121 136 H CA -0.422 55.520 56.048 -0.177 0.000 1.406 136 H CB 0.282 29.982 29.762 -0.103 0.000 1.456 136 H HN -0.034 8.246 8.280 -0.000 0.000 0.579 137 F N 2.858 122.841 119.950 0.054 0.000 2.382 137 F HA 0.144 4.669 4.527 -0.003 0.000 0.331 137 F C -0.991 174.830 175.800 0.035 0.000 1.121 137 F CA -1.845 56.176 58.000 0.036 0.000 1.183 137 F CB 0.482 39.486 39.000 0.007 0.000 1.207 137 F HN 0.544 8.844 8.300 -0.000 0.000 0.555 138 P HA -0.225 4.195 4.420 -0.000 0.000 0.216 138 P C 1.554 178.883 177.300 0.049 0.000 1.153 138 P CA 1.667 64.817 63.100 0.083 0.000 0.858 138 P CB -0.002 31.745 31.700 0.079 0.000 0.789 139 R N 0.180 120.731 120.500 0.085 0.000 2.152 139 R HA -0.151 4.188 4.340 -0.003 0.000 0.232 139 R C 1.163 177.491 176.300 0.047 0.000 1.117 139 R CA 1.363 57.490 56.100 0.045 0.000 0.981 139 R CB -0.255 30.067 30.300 0.037 0.000 0.870 139 R HN 0.092 8.362 8.270 -0.000 0.000 0.451 140 E N -0.219 120.037 120.200 0.093 0.000 2.476 140 E HA 0.070 4.419 4.350 -0.003 0.000 0.191 140 E C -0.837 175.855 176.600 0.153 0.000 1.064 140 E CA 0.008 56.471 56.400 0.106 0.000 0.866 140 E CB 0.303 30.049 29.700 0.077 0.000 0.952 140 E HN 0.055 8.415 8.360 -0.000 0.000 0.492 141 L N 0.614 121.871 121.223 0.057 0.000 2.343 141 L HA 0.318 4.656 4.340 -0.003 0.000 0.275 141 L C 0.543 177.361 176.870 -0.087 0.000 1.056 141 L CA -0.602 54.218 54.840 -0.032 0.000 0.804 141 L CB 1.395 43.389 42.059 -0.107 0.000 1.203 141 L HN -0.019 8.211 8.230 -0.000 0.000 0.440 142 S N 0.832 116.474 115.700 -0.097 0.000 2.617 142 S HA 0.321 4.789 4.470 -0.003 0.000 0.259 142 S C 1.287 175.776 174.600 -0.185 0.000 1.301 142 S CA -0.084 58.057 58.200 -0.098 0.000 0.984 142 S CB 0.717 63.883 63.200 -0.057 0.000 0.954 142 S HN 0.792 9.102 8.310 -0.000 0.000 0.572 143 G N 0.534 109.238 108.800 -0.160 0.000 2.446 143 G HA2 -0.030 3.929 3.960 -0.003 0.000 0.217 143 G HA3 -0.030 3.929 3.960 -0.003 0.000 0.217 143 G C 1.388 176.172 174.900 -0.192 0.000 1.168 143 G CA 0.670 45.636 45.100 -0.223 0.000 0.771 143 G HN 1.018 9.308 8.290 -0.000 0.000 0.551 144 G N 0.123 108.874 108.800 -0.081 0.000 2.418 144 G HA2 -0.190 3.769 3.960 -0.003 0.000 0.217 144 G HA3 -0.190 3.769 3.960 -0.003 0.000 0.217 144 G C 1.817 176.669 174.900 -0.081 0.000 1.158 144 G CA 1.133 46.211 45.100 -0.037 0.000 0.771 144 G HN 0.515 8.805 8.290 -0.000 0.000 0.545 145 Q N -0.267 119.460 119.800 -0.122 0.000 2.124 145 Q HA -0.106 4.232 4.340 -0.003 0.000 0.202 145 Q C 2.779 178.660 176.000 -0.198 0.000 0.977 145 Q CA 1.341 57.056 55.803 -0.146 0.000 0.850 145 Q CB -0.139 28.497 28.738 -0.171 0.000 0.901 145 Q HN 0.591 8.861 8.270 -0.000 0.000 0.429 146 Q N 0.343 119.942 119.800 -0.334 0.000 2.050 146 Q HA -0.227 4.112 4.340 -0.003 0.000 0.202 146 Q C 2.116 177.894 176.000 -0.369 0.000 0.980 146 Q CA 1.317 56.826 55.803 -0.489 0.000 0.840 146 Q CB -0.054 28.058 28.738 -1.043 0.000 0.898 146 Q HN 0.421 8.691 8.270 -0.000 0.000 0.424 147 Q N 0.365 119.991 119.800 -0.290 0.000 2.077 147 Q HA -0.197 4.141 4.340 -0.003 0.000 0.206 147 Q C 2.120 178.148 176.000 0.048 0.000 0.989 147 Q CA 1.476 57.309 55.803 0.050 0.000 0.853 147 Q CB -0.065 28.757 28.738 0.140 0.000 0.907 147 Q HN 0.264 8.534 8.270 -0.000 0.000 0.418 148 R N -0.467 120.031 120.500 -0.004 0.000 2.096 148 R HA -0.109 4.230 4.340 -0.003 0.000 0.235 148 R C 2.278 178.576 176.300 -0.003 0.000 1.127 148 R CA 1.235 57.340 56.100 0.008 0.000 0.968 148 R CB -0.216 30.082 30.300 -0.003 0.000 0.861 148 R HN 0.110 8.380 8.270 -0.000 0.000 0.440 149 V N 0.702 120.595 119.914 -0.035 0.000 2.358 149 V HA -0.190 3.929 4.120 -0.003 0.000 0.246 149 V C 2.358 178.456 176.094 0.007 0.000 1.047 149 V CA 1.899 64.182 62.300 -0.028 0.000 1.035 149 V CB -0.567 31.223 31.823 -0.055 0.000 0.658 149 V HN 0.400 8.590 8.190 -0.000 0.000 0.452 150 A N -0.482 122.360 122.820 0.036 0.000 1.933 150 A HA -0.133 4.185 4.320 -0.003 0.000 0.218 150 A C 2.231 179.844 177.584 0.048 0.000 1.175 150 A CA 1.611 53.693 52.037 0.075 0.000 0.628 150 A CB -0.471 18.639 19.000 0.182 0.000 0.814 150 A HN 0.486 8.636 8.150 -0.000 0.000 0.444 151 L N -0.923 120.330 121.223 0.050 0.000 2.056 151 L HA -0.166 4.172 4.340 -0.003 0.000 0.207 151 L C 3.120 180.002 176.870 0.020 0.000 1.078 151 L CA 0.961 55.823 54.840 0.035 0.000 0.749 151 L CB -0.482 41.607 42.059 0.050 0.000 0.901 151 L HN 0.445 8.675 8.230 -0.000 0.000 0.433 152 A N 0.031 122.861 122.820 0.017 0.000 1.908 152 A HA -0.285 4.034 4.320 -0.003 0.000 0.218 152 A C 2.406 179.990 177.584 -0.001 0.000 1.181 152 A CA 2.013 54.054 52.037 0.006 0.000 0.627 152 A CB -0.635 18.364 19.000 -0.001 0.000 0.818 152 A HN 0.379 8.529 8.150 -0.000 0.000 0.445 153 R N -0.471 120.032 120.500 0.004 0.000 2.092 153 R HA -0.062 4.276 4.340 -0.003 0.000 0.231 153 R C 2.189 178.494 176.300 0.009 0.000 1.119 153 R CA 1.340 57.447 56.100 0.012 0.000 0.970 153 R CB -0.363 29.960 30.300 0.038 0.000 0.864 153 R HN 0.438 8.708 8.270 -0.000 0.000 0.440 154 A N 0.496 123.315 122.820 -0.002 0.000 2.014 154 A HA -0.014 4.305 4.320 -0.003 0.000 0.218 154 A C 1.846 179.424 177.584 -0.010 0.000 1.163 154 A CA 0.833 52.858 52.037 -0.019 0.000 0.652 154 A CB -0.066 18.911 19.000 -0.038 0.000 0.808 154 A HN 0.351 8.501 8.150 -0.000 0.000 0.449 155 L N -1.215 120.007 121.223 -0.002 0.000 2.640 155 L HA 0.125 4.463 4.340 -0.003 0.000 0.230 155 L C 1.964 178.834 176.870 -0.002 0.000 1.123 155 L CA -0.076 54.765 54.840 0.002 0.000 0.900 155 L CB 0.345 42.410 42.059 0.009 0.000 1.146 155 L HN 0.203 8.433 8.230 -0.000 0.000 0.484 156 V N 0.692 120.601 119.914 -0.008 0.000 2.594 156 V HA -0.232 3.886 4.120 -0.003 0.000 0.253 156 V C 1.756 177.841 176.094 -0.016 0.000 1.069 156 V CA 1.870 64.160 62.300 -0.017 0.000 1.082 156 V CB -0.173 31.631 31.823 -0.032 0.000 0.680 156 V HN 0.454 8.644 8.190 -0.000 0.000 0.469 157 K N -0.076 120.317 120.400 -0.012 0.000 2.446 157 K HA 0.151 4.469 4.320 -0.003 0.000 0.203 157 K C 0.285 176.883 176.600 -0.002 0.000 1.027 157 K CA 0.422 56.702 56.287 -0.011 0.000 1.166 157 K CB 0.123 32.614 32.500 -0.014 0.000 0.869 157 K HN 0.380 8.630 8.250 -0.000 0.000 0.504 158 D N 1.736 122.137 120.400 0.001 0.000 2.812 158 D HA -0.102 4.537 4.640 -0.003 0.000 0.237 158 D C -2.362 173.946 176.300 0.013 0.000 1.162 158 D CA 0.088 54.092 54.000 0.007 0.000 0.740 158 D CB -0.086 40.718 40.800 0.007 0.000 1.000 158 D HN 0.205 8.575 8.370 -0.000 0.000 0.416 159 P HA 0.160 4.580 4.420 -0.000 0.000 0.274 159 P C 0.458 177.774 177.300 0.027 0.000 1.246 159 P CA -0.281 62.834 63.100 0.025 0.000 0.795 159 P CB 1.033 32.745 31.700 0.021 0.000 1.006 160 S N -0.459 115.264 115.700 0.038 0.000 2.539 160 S HA 0.233 4.701 4.470 -0.003 0.000 0.221 160 S C 0.373 174.983 174.600 0.017 0.000 0.987 160 S CA -0.202 58.014 58.200 0.027 0.000 0.929 160 S CB -0.220 62.997 63.200 0.029 0.000 0.832 160 S HN 0.356 8.666 8.310 -0.000 0.000 0.492 161 L N 1.520 122.762 121.223 0.032 0.000 2.439 161 L HA 0.722 5.060 4.340 -0.003 0.000 0.270 161 L C -1.474 175.417 176.870 0.034 0.000 0.972 161 L CA -0.974 53.880 54.840 0.023 0.000 0.836 161 L CB 2.009 44.083 42.059 0.025 0.000 1.255 161 L HN 0.226 8.456 8.230 -0.000 0.000 0.404 162 L N 5.417 126.660 121.223 0.032 0.000 2.296 162 L HA 0.655 4.993 4.340 -0.003 0.000 0.286 162 L C -1.525 175.372 176.870 0.045 0.000 1.023 162 L CA -0.208 54.649 54.840 0.028 0.000 0.812 162 L CB 1.375 43.453 42.059 0.032 0.000 1.223 162 L HN 0.591 8.821 8.230 -0.000 0.000 0.421 163 L N 6.345 127.581 121.223 0.022 0.000 2.305 163 L HA 0.549 4.888 4.340 -0.003 0.000 0.284 163 L C -0.854 176.055 176.870 0.065 0.000 1.013 163 L CA -0.098 54.786 54.840 0.074 0.000 0.819 163 L CB 1.510 43.621 42.059 0.087 0.000 1.227 163 L HN 0.520 8.750 8.230 -0.000 0.000 0.417 164 L N 3.433 124.744 121.223 0.146 0.000 2.343 164 L HA 0.458 4.796 4.340 -0.003 0.000 0.278 164 L C -0.740 176.249 176.870 0.198 0.000 0.996 164 L CA -0.574 54.339 54.840 0.120 0.000 0.831 164 L CB 2.000 44.093 42.059 0.056 0.000 1.232 164 L HN 0.435 8.665 8.230 -0.000 0.000 0.413 165 D N 5.245 125.822 120.400 0.295 0.000 2.454 165 D HA 0.111 4.749 4.640 -0.003 0.000 0.225 165 D C 0.103 176.412 176.300 0.014 0.000 1.081 165 D CA -0.124 53.966 54.000 0.151 0.000 0.864 165 D CB 0.792 41.571 40.800 -0.035 0.000 1.040 165 D HN 0.539 8.909 8.370 -0.000 0.000 0.517 166 E N 2.728 122.919 120.200 -0.014 0.000 2.199 166 E HA -0.177 4.171 4.350 -0.003 0.000 0.208 166 E C -1.621 174.866 176.600 -0.187 0.000 1.310 166 E CA 0.123 56.487 56.400 -0.061 0.000 0.709 166 E CB -0.638 29.048 29.700 -0.023 0.000 1.127 166 E HN 0.561 8.921 8.360 -0.000 0.000 0.354 167 P HA -0.114 4.306 4.420 -0.000 0.000 0.233 167 P C 0.573 177.393 177.300 -0.801 0.000 1.167 167 P CA 1.038 63.719 63.100 -0.700 0.000 0.770 167 P CB -0.026 31.037 31.700 -1.063 0.000 0.837 168 F N 0.131 120.057 119.950 -0.040 0.000 2.708 168 F HA 0.196 4.721 4.527 -0.004 0.000 0.300 168 F C 1.549 177.326 175.800 -0.039 0.000 1.118 168 F CA -0.654 57.331 58.000 -0.024 0.000 1.307 168 F CB -0.839 38.157 39.000 -0.006 0.000 0.986 168 F HN -0.152 8.148 8.300 -0.000 0.000 0.522 169 S N 0.769 116.471 115.700 0.003 0.000 4.255 169 S HA -0.361 4.107 4.470 -0.003 0.000 0.306 169 S C 1.174 175.811 174.600 0.062 0.000 1.770 169 S CA 0.911 59.116 58.200 0.009 0.000 1.533 169 S CB -0.726 62.436 63.200 -0.064 0.000 0.393 169 S HN 0.607 8.917 8.310 -0.000 0.000 0.269 170 N N -0.484 118.260 118.700 0.073 0.000 2.521 170 N HA 0.453 5.191 4.740 -0.003 0.000 0.188 170 N C 0.975 176.521 175.510 0.060 0.000 1.146 170 N CA 1.110 54.209 53.050 0.081 0.000 0.893 170 N CB -0.942 37.545 38.487 -0.000 0.000 0.975 170 N HN 1.237 9.617 8.380 -0.000 0.000 0.451 171 L N -0.950 120.302 121.223 0.049 0.000 2.682 171 L HA 0.498 4.836 4.340 -0.003 0.000 0.209 171 L C 1.014 177.941 176.870 0.095 0.000 1.195 171 L CA -0.063 54.815 54.840 0.063 0.000 0.869 171 L CB -0.620 41.439 42.059 -0.000 0.000 1.599 171 L HN 0.527 8.757 8.230 -0.000 0.000 0.518 172 D N -1.573 118.906 120.400 0.131 0.000 3.321 172 D HA -0.208 4.431 4.640 -0.003 0.000 0.178 172 D C 0.792 177.149 176.300 0.094 0.000 1.208 172 D CA 2.591 56.674 54.000 0.138 0.000 1.074 172 D CB -1.036 39.867 40.800 0.172 0.000 0.560 172 D HN 2.469 10.839 8.370 -0.000 0.000 0.618 173 A N -1.965 120.906 122.820 0.084 0.000 2.422 173 A HA 0.034 4.353 4.320 -0.003 0.000 0.200 173 A C 1.614 179.220 177.584 0.038 0.000 0.662 173 A CA 2.371 54.441 52.037 0.055 0.000 1.676 173 A CB -1.519 17.509 19.000 0.047 0.000 1.170 173 A HN 1.421 9.571 8.150 -0.000 0.000 0.660 174 R N -0.431 120.094 120.500 0.042 0.000 2.397 174 R HA 0.742 5.080 4.340 -0.003 0.000 0.241 174 R C 1.390 177.712 176.300 0.037 0.000 0.914 174 R CA 1.252 57.369 56.100 0.028 0.000 1.071 174 R CB -0.757 29.558 30.300 0.024 0.000 1.116 174 R HN 0.715 8.985 8.270 -0.000 0.000 0.524 175 M N -1.092 118.543 119.600 0.059 0.000 2.292 175 M HA 0.283 4.762 4.480 -0.003 0.000 0.286 175 M C 1.724 178.078 176.300 0.090 0.000 1.002 175 M CA 0.009 55.354 55.300 0.075 0.000 1.029 175 M CB 0.824 33.484 32.600 0.100 0.000 1.537 175 M HN 0.194 8.484 8.290 -0.000 0.000 0.543 176 R N 1.049 121.596 120.500 0.077 0.000 2.096 176 R HA -0.117 4.222 4.340 -0.003 0.000 0.235 176 R C 1.244 177.528 176.300 -0.027 0.000 1.127 176 R CA 1.343 57.481 56.100 0.064 0.000 0.968 176 R CB -0.309 30.014 30.300 0.038 0.000 0.861 176 R HN 0.396 8.666 8.270 -0.000 0.000 0.440 177 D N 0.144 120.528 120.400 -0.028 0.000 2.144 177 D HA -0.089 4.550 4.640 -0.003 0.000 0.199 177 D C 1.868 178.149 176.300 -0.031 0.000 0.984 177 D CA 1.344 55.312 54.000 -0.054 0.000 0.834 177 D CB -0.003 40.774 40.800 -0.037 0.000 0.955 177 D HN 0.132 8.502 8.370 -0.000 0.000 0.465 178 S N 1.108 116.815 115.700 0.011 0.000 2.368 178 S HA -0.104 4.364 4.470 -0.003 0.000 0.224 178 S C 2.233 176.870 174.600 0.062 0.000 1.029 178 S CA 1.039 59.259 58.200 0.033 0.000 0.988 178 S CB -0.199 63.029 63.200 0.047 0.000 0.838 178 S HN 0.338 8.648 8.310 -0.000 0.000 0.462 179 A N 2.091 124.977 122.820 0.110 0.000 1.902 179 A HA -0.113 4.205 4.320 -0.003 0.000 0.217 179 A C 2.191 179.885 177.584 0.184 0.000 1.181 179 A CA 1.387 53.562 52.037 0.229 0.000 0.623 179 A CB -0.489 18.767 19.000 0.427 0.000 0.818 179 A HN 0.410 8.560 8.150 -0.000 0.000 0.443 180 R N -0.524 119.915 120.500 -0.101 0.000 2.081 180 R HA -0.075 4.263 4.340 -0.003 0.000 0.235 180 R C 2.459 178.721 176.300 -0.064 0.000 1.131 180 R CA 1.274 57.211 56.100 -0.272 0.000 0.960 180 R CB -0.464 29.592 30.300 -0.406 0.000 0.856 180 R HN 0.511 8.781 8.270 -0.000 0.000 0.436 181 A N 1.024 123.826 122.820 -0.030 0.000 1.930 181 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 181 A C 2.061 179.665 177.584 0.033 0.000 1.175 181 A CA 1.007 53.043 52.037 -0.001 0.000 0.627 181 A CB -0.414 18.586 19.000 -0.001 0.000 0.815 181 A HN 0.244 8.394 8.150 -0.000 0.000 0.443 182 L N -0.100 121.160 121.223 0.062 0.000 2.017 182 L HA -0.101 4.237 4.340 -0.003 0.000 0.208 182 L C 2.383 179.308 176.870 0.093 0.000 1.073 182 L CA 1.921 56.808 54.840 0.079 0.000 0.745 182 L CB -0.590 41.530 42.059 0.101 0.000 0.894 182 L HN 0.141 8.371 8.230 -0.000 0.000 0.432 183 V N 0.254 120.249 119.914 0.136 0.000 2.282 183 V HA -0.367 3.751 4.120 -0.003 0.000 0.249 183 V C 2.682 178.833 176.094 0.095 0.000 1.057 183 V CA 2.339 64.728 62.300 0.149 0.000 1.032 183 V CB -0.788 31.191 31.823 0.261 0.000 0.645 183 V HN 0.600 8.790 8.190 -0.000 0.000 0.447 184 K N 0.121 120.561 120.400 0.067 0.000 2.097 184 K HA -0.250 4.068 4.320 -0.003 0.000 0.206 184 K C 2.217 178.839 176.600 0.037 0.000 1.049 184 K CA 1.991 58.304 56.287 0.042 0.000 0.933 184 K CB -0.204 32.308 32.500 0.019 0.000 0.717 184 K HN 0.600 8.850 8.250 -0.000 0.000 0.442 185 E N 0.191 120.413 120.200 0.037 0.000 2.077 185 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 185 E C 1.870 178.490 176.600 0.034 0.000 0.989 185 E CA 1.327 57.745 56.400 0.031 0.000 0.800 185 E CB 0.075 29.793 29.700 0.030 0.000 0.746 185 E HN 0.174 8.534 8.360 -0.000 0.000 0.452 186 V N 1.560 121.500 119.914 0.044 0.000 2.343 186 V HA -0.254 3.865 4.120 -0.003 0.000 0.247 186 V C 2.635 178.752 176.094 0.038 0.000 1.051 186 V CA 2.012 64.338 62.300 0.042 0.000 1.036 186 V CB -0.519 31.335 31.823 0.051 0.000 0.654 186 V HN 0.404 8.594 8.190 -0.000 0.000 0.451 187 Q N 0.465 120.291 119.800 0.044 0.000 2.124 187 Q HA -0.180 4.158 4.340 -0.003 0.000 0.202 187 Q C 2.501 178.519 176.000 0.031 0.000 0.977 187 Q CA 2.398 58.225 55.803 0.040 0.000 0.850 187 Q CB -0.275 28.492 28.738 0.048 0.000 0.901 187 Q HN 0.758 9.028 8.270 -0.000 0.000 0.429 188 S N -0.305 115.411 115.700 0.028 0.000 2.436 188 S HA -0.103 4.365 4.470 -0.003 0.000 0.228 188 S C 2.016 176.627 174.600 0.019 0.000 1.014 188 S CA 0.789 59.002 58.200 0.021 0.000 0.950 188 S CB -0.283 62.928 63.200 0.018 0.000 0.784 188 S HN 0.420 8.730 8.310 -0.000 0.000 0.504 189 R N 0.724 121.236 120.500 0.020 0.000 2.081 189 R HA 0.123 4.461 4.340 -0.003 0.000 0.235 189 R C 1.955 178.264 176.300 0.016 0.000 1.131 189 R CA 1.553 57.663 56.100 0.017 0.000 0.960 189 R CB -0.302 30.009 30.300 0.019 0.000 0.856 189 R HN 0.494 8.764 8.270 -0.000 0.000 0.436 190 L N -0.950 120.284 121.223 0.019 0.000 2.513 190 L HA 0.284 4.623 4.340 -0.003 0.000 0.222 190 L C 1.273 178.152 176.870 0.016 0.000 1.096 190 L CA 0.438 55.288 54.840 0.017 0.000 0.857 190 L CB 0.375 42.446 42.059 0.019 0.000 1.026 190 L HN 0.596 8.826 8.230 -0.000 0.000 0.469 191 G N 1.145 109.956 108.800 0.017 0.000 2.166 191 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.260 191 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.260 191 G C 0.482 175.391 174.900 0.015 0.000 0.986 191 G CA 0.398 45.507 45.100 0.015 0.000 0.683 191 G HN 0.279 8.569 8.290 -0.000 0.000 0.527 192 V N -1.429 118.496 119.914 0.018 0.000 2.843 192 V HA 0.622 4.740 4.120 -0.003 0.000 0.305 192 V C 0.963 177.067 176.094 0.017 0.000 1.065 192 V CA 0.278 62.587 62.300 0.016 0.000 1.116 192 V CB 0.714 32.549 31.823 0.021 0.000 0.968 192 V HN 0.368 8.558 8.190 -0.000 0.000 0.487 193 T N 5.759 120.315 114.554 0.003 0.000 2.926 193 T HA 0.459 4.808 4.350 -0.003 0.000 0.307 193 T C -0.257 174.459 174.700 0.026 0.000 1.059 193 T CA 0.101 62.202 62.100 0.002 0.000 1.122 193 T CB 0.610 69.450 68.868 -0.046 0.000 0.972 193 T HN 0.862 9.102 8.240 -0.000 0.000 0.545 194 L N 3.532 124.790 121.223 0.058 0.000 2.436 194 L HA 0.757 5.096 4.340 -0.003 0.000 0.268 194 L C -1.799 175.155 176.870 0.139 0.000 0.974 194 L CA -1.131 53.761 54.840 0.086 0.000 0.826 194 L CB 1.685 43.796 42.059 0.087 0.000 1.291 194 L HN 0.517 8.747 8.230 -0.000 0.000 0.406 195 L N 5.854 127.167 121.223 0.151 0.000 2.381 195 L HA 0.737 5.075 4.340 -0.003 0.000 0.274 195 L C -1.678 175.317 176.870 0.208 0.000 0.988 195 L CA -0.358 54.616 54.840 0.223 0.000 0.824 195 L CB 1.895 44.089 42.059 0.225 0.000 1.263 195 L HN 0.432 8.662 8.230 -0.000 0.000 0.410 196 V N 6.526 126.565 119.914 0.208 0.000 2.588 196 V HA 0.793 4.912 4.120 -0.003 0.000 0.304 196 V C -1.028 175.166 176.094 0.167 0.000 1.042 196 V CA -0.257 62.152 62.300 0.181 0.000 0.877 196 V CB 2.266 34.197 31.823 0.181 0.000 0.996 196 V HN 0.770 8.960 8.190 -0.000 0.000 0.425 197 V N 3.816 123.823 119.914 0.156 0.000 2.628 197 V HA 1.031 5.150 4.120 -0.003 0.000 0.306 197 V C -0.393 175.749 176.094 0.081 0.000 1.045 197 V CA -0.026 62.348 62.300 0.124 0.000 0.905 197 V CB 1.543 33.458 31.823 0.152 0.000 0.997 197 V HN 1.215 9.405 8.190 -0.000 0.000 0.436 198 S N 0.880 116.611 115.700 0.052 0.000 2.595 198 S HA 0.430 4.899 4.470 -0.003 0.000 0.270 198 S C -0.047 174.558 174.600 0.010 0.000 1.145 198 S CA -0.000 58.199 58.200 -0.001 0.000 0.825 198 S CB 1.519 64.709 63.200 -0.017 0.000 1.107 198 S HN 1.311 9.621 8.310 -0.000 0.000 0.461 199 H N 0.788 119.885 119.070 0.045 0.000 2.586 199 H HA 0.306 4.860 4.556 -0.002 0.000 0.273 199 H C -0.411 174.946 175.328 0.049 0.000 0.997 199 H CA -0.158 55.911 56.048 0.035 0.000 1.177 199 H CB 0.125 29.901 29.762 0.024 0.000 1.471 199 H HN 0.419 8.699 8.280 -0.000 0.000 0.538 200 D N 2.816 123.087 120.400 -0.215 0.000 2.373 200 D HA 0.156 4.795 4.640 -0.003 0.000 0.227 200 D C -1.607 174.701 176.300 0.014 0.000 1.091 200 D CA -2.688 51.264 54.000 -0.080 0.000 0.840 200 D CB 2.161 42.858 40.800 -0.171 0.000 1.060 200 D HN 0.014 8.384 8.370 -0.000 0.000 0.502 201 P HA -0.111 4.309 4.420 -0.000 0.000 0.218 201 P C 1.038 178.468 177.300 0.217 0.000 1.148 201 P CA 0.865 64.065 63.100 0.167 0.000 0.822 201 P CB 0.184 32.045 31.700 0.267 0.000 0.784 202 A N 0.426 123.322 122.820 0.127 0.000 1.940 202 A HA -0.216 4.102 4.320 -0.003 0.000 0.219 202 A C 2.003 179.600 177.584 0.022 0.000 1.176 202 A CA 2.028 54.112 52.037 0.078 0.000 0.631 202 A CB -1.302 17.699 19.000 0.002 0.000 0.814 202 A HN 0.088 8.238 8.150 -0.000 0.000 0.446 203 D N -0.153 120.233 120.400 -0.023 0.000 2.117 203 D HA -0.124 4.514 4.640 -0.003 0.000 0.197 203 D C 1.718 177.991 176.300 -0.044 0.000 0.987 203 D CA 1.147 55.096 54.000 -0.085 0.000 0.829 203 D CB -0.340 40.472 40.800 0.021 0.000 0.961 203 D HN 0.372 8.742 8.370 -0.000 0.000 0.460 204 I N 0.083 120.640 120.570 -0.022 0.000 2.179 204 I HA -0.194 3.975 4.170 -0.003 0.000 0.242 204 I C 2.163 178.196 176.117 -0.141 0.000 1.088 204 I CA 0.844 62.084 61.300 -0.100 0.000 1.357 204 I CB -0.529 37.372 38.000 -0.165 0.000 1.051 204 I HN -0.077 8.133 8.210 -0.000 0.000 0.409 205 F N 0.246 120.148 119.950 -0.080 0.000 2.186 205 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 205 F C 2.433 178.176 175.800 -0.094 0.000 1.090 205 F CA 1.293 59.239 58.000 -0.091 0.000 1.307 205 F CB -0.466 38.470 39.000 -0.106 0.000 1.019 205 F HN 0.025 8.325 8.300 -0.000 0.000 0.489 206 A N -0.554 122.304 122.820 0.063 0.000 1.970 206 A HA 0.009 4.327 4.320 -0.003 0.000 0.216 206 A C 1.999 179.559 177.584 -0.040 0.000 1.170 206 A CA 1.406 53.431 52.037 -0.019 0.000 0.645 206 A CB -0.489 18.451 19.000 -0.099 0.000 0.816 206 A HN 0.421 8.571 8.150 -0.000 0.000 0.447 207 I N -1.772 118.771 120.570 -0.046 0.000 3.971 207 I HA 0.217 4.386 4.170 -0.003 0.000 0.303 207 I C 1.134 177.236 176.117 -0.025 0.000 1.233 207 I CA 0.322 61.607 61.300 -0.025 0.000 1.346 207 I CB 0.303 38.305 38.000 0.003 0.000 1.273 207 I HN 0.197 8.407 8.210 -0.000 0.000 0.448 208 A N 0.848 123.628 122.820 -0.067 0.000 2.327 208 A HA 0.225 4.543 4.320 -0.003 0.000 0.283 208 A C 0.214 177.729 177.584 -0.116 0.000 1.127 208 A CA -0.229 51.748 52.037 -0.100 0.000 0.810 208 A CB 0.341 19.233 19.000 -0.180 0.000 1.066 208 A HN 0.154 8.304 8.150 -0.000 0.000 0.492 209 D N 0.138 120.488 120.400 -0.083 0.000 2.338 209 D HA 0.083 4.721 4.640 -0.003 0.000 0.208 209 D C 0.634 176.873 176.300 -0.101 0.000 0.997 209 D CA 0.922 54.882 54.000 -0.067 0.000 0.880 209 D CB 0.381 41.172 40.800 -0.015 0.000 0.980 209 D HN 0.589 8.959 8.370 -0.000 0.000 0.509 210 R N 0.373 120.781 120.500 -0.155 0.000 2.673 210 R HA 0.515 4.853 4.340 -0.003 0.000 0.281 210 R C -1.857 174.087 176.300 -0.594 0.000 0.991 210 R CA -0.575 55.388 56.100 -0.227 0.000 0.896 210 R CB 2.636 32.924 30.300 -0.020 0.000 1.201 210 R HN -0.155 8.116 8.270 -0.000 0.000 0.457 211 V N 2.829 122.419 119.914 -0.540 0.000 2.709 211 V HA 0.832 4.951 4.120 -0.003 0.000 0.308 211 V C -0.802 175.021 176.094 -0.451 0.000 1.062 211 V CA -0.302 61.609 62.300 -0.647 0.000 0.901 211 V CB 1.940 33.517 31.823 -0.409 0.000 1.003 211 V HN 0.887 9.077 8.190 -0.000 0.000 0.425 212 G N 4.449 113.000 108.800 -0.416 0.000 2.379 212 G HA2 0.608 4.566 3.960 -0.003 0.000 0.327 212 G HA3 0.608 4.566 3.960 -0.003 0.000 0.327 212 G C -1.270 173.568 174.900 -0.104 0.000 1.145 212 G CA -0.523 44.516 45.100 -0.102 0.000 0.905 212 G HN 0.859 9.149 8.290 -0.000 0.000 0.466 213 V N 3.188 123.060 119.914 -0.070 0.000 2.370 213 V HA 0.371 4.489 4.120 -0.003 0.000 0.283 213 V C 0.070 176.133 176.094 -0.052 0.000 1.023 213 V CA -0.585 61.680 62.300 -0.059 0.000 0.857 213 V CB 1.331 33.127 31.823 -0.045 0.000 0.985 213 V HN 0.563 8.753 8.190 -0.000 0.000 0.443 214 L N 5.690 126.881 121.223 -0.053 0.000 2.282 214 L HA 0.627 4.965 4.340 -0.003 0.000 0.288 214 L C -0.803 176.052 176.870 -0.026 0.000 1.033 214 L CA -0.534 54.276 54.840 -0.050 0.000 0.807 214 L CB 1.870 43.889 42.059 -0.066 0.000 1.209 214 L HN 0.379 8.609 8.230 -0.000 0.000 0.423 215 V N 3.192 123.092 119.914 -0.023 0.000 2.443 215 V HA 0.361 4.479 4.120 -0.003 0.000 0.293 215 V C 0.416 176.505 176.094 -0.009 0.000 1.021 215 V CA -0.690 61.600 62.300 -0.016 0.000 0.848 215 V CB 1.286 33.095 31.823 -0.023 0.000 0.998 215 V HN 0.796 8.986 8.190 -0.000 0.000 0.424 216 K N 3.076 123.475 120.400 -0.001 0.000 3.278 216 K HA -0.098 4.221 4.320 -0.003 0.000 0.270 216 K C 1.476 178.084 176.600 0.013 0.000 0.955 216 K CA 1.609 57.900 56.287 0.007 0.000 0.723 216 K CB -2.194 30.307 32.500 0.002 0.000 1.382 216 K HN 2.655 10.905 8.250 -0.000 0.000 0.461 217 G N -1.683 107.127 108.800 0.016 0.000 2.184 217 G HA2 -0.291 3.668 3.960 -0.003 0.000 0.264 217 G HA3 -0.291 3.668 3.960 -0.003 0.000 0.264 217 G C 0.178 175.082 174.900 0.007 0.000 0.975 217 G CA 0.889 46.003 45.100 0.023 0.000 0.642 217 G HN 1.142 9.432 8.290 -0.000 0.000 0.536 218 K N -0.285 120.112 120.400 -0.005 0.000 2.221 218 K HA 0.604 4.922 4.320 -0.003 0.000 0.258 218 K C -0.713 175.871 176.600 -0.026 0.000 0.944 218 K CA -1.098 55.183 56.287 -0.011 0.000 0.823 218 K CB 2.365 34.861 32.500 -0.006 0.000 1.113 218 K HN 0.053 8.303 8.250 -0.000 0.000 0.431 219 L N 4.579 125.784 121.223 -0.031 0.000 2.363 219 L HA 0.019 4.358 4.340 -0.003 0.000 0.286 219 L C 0.828 177.687 176.870 -0.018 0.000 1.106 219 L CA 0.204 55.022 54.840 -0.037 0.000 0.859 219 L CB 0.790 42.826 42.059 -0.038 0.000 1.223 219 L HN 0.612 8.842 8.230 -0.000 0.000 0.446 220 V N 1.638 121.539 119.914 -0.021 0.000 3.235 220 V HA 0.226 4.344 4.120 -0.003 0.000 0.259 220 V C 0.489 176.579 176.094 -0.007 0.000 1.133 220 V CA 0.416 62.707 62.300 -0.015 0.000 1.128 220 V CB -0.572 31.237 31.823 -0.023 0.000 0.757 220 V HN 0.852 9.042 8.190 -0.000 0.000 0.469 221 Q N -0.570 119.225 119.800 -0.009 0.000 2.438 221 Q HA 0.621 4.960 4.340 -0.003 0.000 0.272 221 Q C -2.345 173.651 176.000 -0.005 0.000 0.994 221 Q CA -0.442 55.360 55.803 -0.002 0.000 0.887 221 Q CB 2.909 31.645 28.738 -0.002 0.000 1.432 221 Q HN 0.143 8.413 8.270 -0.000 0.000 0.392 222 V N 2.006 121.925 119.914 0.008 0.000 2.686 222 V HA 0.993 5.111 4.120 -0.003 0.000 0.306 222 V C 0.052 176.146 176.094 -0.001 0.000 1.065 222 V CA 0.272 62.580 62.300 0.013 0.000 0.894 222 V CB 1.650 33.522 31.823 0.083 0.000 1.004 222 V HN 0.950 9.140 8.190 -0.000 0.000 0.424 223 G N 3.419 112.193 108.800 -0.044 0.000 2.340 223 G HA2 0.359 4.318 3.960 -0.003 0.000 0.299 223 G HA3 0.359 4.318 3.960 -0.003 0.000 0.299 223 G C -1.570 173.276 174.900 -0.091 0.000 1.291 223 G CA -1.003 44.074 45.100 -0.039 0.000 0.841 223 G HN 0.547 8.837 8.290 -0.000 0.000 0.500 224 K N 0.764 121.124 120.400 -0.067 0.000 2.258 224 K HA 0.256 4.574 4.320 -0.003 0.000 0.264 224 K C -1.636 174.879 176.600 -0.141 0.000 1.007 224 K CA -1.221 55.007 56.287 -0.098 0.000 0.941 224 K CB 1.414 33.885 32.500 -0.048 0.000 0.966 224 K HN 0.047 8.297 8.250 -0.000 0.000 0.480 225 P HA -0.267 4.153 4.420 -0.000 0.000 0.215 225 P C 0.950 178.157 177.300 -0.155 0.000 1.157 225 P CA 1.417 64.229 63.100 -0.480 0.000 0.874 225 P CB 0.115 31.241 31.700 -0.958 0.000 0.790 226 E N 0.047 120.264 120.200 0.028 0.000 2.118 226 E HA -0.235 4.114 4.350 -0.003 0.000 0.195 226 E C 1.350 178.049 176.600 0.165 0.000 0.992 226 E CA 1.635 58.145 56.400 0.185 0.000 0.804 226 E CB -1.472 28.300 29.700 0.120 0.000 0.741 226 E HN 0.262 8.622 8.360 -0.000 0.000 0.458 227 D N 0.923 121.367 120.400 0.074 0.000 2.144 227 D HA -0.007 4.631 4.640 -0.003 0.000 0.200 227 D C 2.216 178.563 176.300 0.078 0.000 0.978 227 D CA 0.762 54.801 54.000 0.064 0.000 0.833 227 D CB -0.173 40.642 40.800 0.025 0.000 0.961 227 D HN 0.162 8.532 8.370 -0.000 0.000 0.470 228 L N -0.624 120.636 121.223 0.062 0.000 2.141 228 L HA -0.149 4.190 4.340 -0.003 0.000 0.209 228 L C 2.156 179.113 176.870 0.145 0.000 1.094 228 L CA 0.827 55.707 54.840 0.067 0.000 0.763 228 L CB -0.374 41.692 42.059 0.013 0.000 0.908 228 L HN 0.110 8.340 8.230 -0.000 0.000 0.437 229 Y N 0.866 121.227 120.300 0.101 0.000 2.184 229 Y HA -0.233 4.316 4.550 -0.003 0.000 0.290 229 Y C 2.221 178.186 175.900 0.108 0.000 1.129 229 Y CA 1.749 59.947 58.100 0.163 0.000 1.144 229 Y CB 0.101 38.748 38.460 0.310 0.000 0.995 229 Y HN 0.176 8.456 8.280 -0.000 0.000 0.513 230 D N -0.833 119.701 120.400 0.223 0.000 2.240 230 D HA -0.014 4.625 4.640 -0.003 0.000 0.206 230 D C 0.045 176.374 176.300 0.048 0.000 0.963 230 D CA 0.925 54.991 54.000 0.110 0.000 0.863 230 D CB -0.176 40.704 40.800 0.133 0.000 0.973 230 D HN 0.389 8.759 8.370 -0.000 0.000 0.501 231 N N 1.102 119.841 118.700 0.065 0.000 2.696 231 N HA 0.180 4.918 4.740 -0.003 0.000 0.308 231 N C -2.672 172.884 175.510 0.077 0.000 1.915 231 N CA -0.899 52.181 53.050 0.049 0.000 0.906 231 N CB 1.720 40.229 38.487 0.036 0.000 1.284 231 N HN 0.029 8.409 8.380 -0.000 0.000 0.488 232 P HA -0.052 4.368 4.420 -0.000 0.000 0.268 232 P C 0.968 178.396 177.300 0.213 0.000 1.205 232 P CA -0.086 63.091 63.100 0.128 0.000 0.771 232 P CB 1.872 33.650 31.700 0.129 0.000 0.858 233 V N 1.876 121.865 119.914 0.126 0.000 2.809 233 V HA -0.056 4.063 4.120 -0.003 0.000 0.256 233 V C 0.841 177.016 176.094 0.134 0.000 1.080 233 V CA 2.139 64.525 62.300 0.144 0.000 1.102 233 V CB -0.350 31.508 31.823 0.058 0.000 0.705 233 V HN 0.888 9.078 8.190 -0.000 0.000 0.475 234 S N -2.062 113.557 115.700 -0.134 0.000 2.625 234 S HA 0.371 4.839 4.470 -0.003 0.000 0.271 234 S C 0.152 174.129 174.600 -1.039 0.000 1.161 234 S CA -0.011 57.756 58.200 -0.722 0.000 0.820 234 S CB 1.297 64.276 63.200 -0.369 0.000 1.137 234 S HN -0.004 8.306 8.310 -0.000 0.000 0.470 235 I N 1.385 121.157 120.570 -1.329 0.000 2.394 235 I HA -0.079 4.089 4.170 -0.003 0.000 0.251 235 I C 2.628 178.558 176.117 -0.311 0.000 1.136 235 I CA 1.733 62.615 61.300 -0.696 0.000 1.425 235 I CB -0.458 37.273 38.000 -0.448 0.000 1.079 235 I HN 0.918 9.128 8.210 -0.000 0.000 0.425 236 Q N -0.337 119.300 119.800 -0.271 0.000 2.084 236 Q HA -0.176 4.162 4.340 -0.003 0.000 0.202 236 Q C 2.176 178.114 176.000 -0.104 0.000 0.978 236 Q CA 2.249 57.966 55.803 -0.143 0.000 0.844 236 Q CB -0.059 28.609 28.738 -0.116 0.000 0.898 236 Q HN 0.409 8.679 8.270 -0.000 0.000 0.426 237 V N 0.895 120.736 119.914 -0.122 0.000 2.453 237 V HA -0.214 3.905 4.120 -0.003 0.000 0.247 237 V C 2.337 178.410 176.094 -0.035 0.000 1.048 237 V CA 1.450 63.714 62.300 -0.060 0.000 1.049 237 V CB -0.888 30.905 31.823 -0.051 0.000 0.672 237 V HN 0.534 8.724 8.190 -0.000 0.000 0.457 238 A N 0.903 123.687 122.820 -0.061 0.000 1.892 238 A HA -0.268 4.051 4.320 -0.003 0.000 0.218 238 A C 2.535 180.102 177.584 -0.027 0.000 1.188 238 A CA 2.699 54.718 52.037 -0.030 0.000 0.631 238 A CB -0.823 18.179 19.000 0.004 0.000 0.822 238 A HN 0.700 8.850 8.150 -0.000 0.000 0.447 239 S N -0.694 114.992 115.700 -0.023 0.000 2.461 239 S HA 0.083 4.552 4.470 -0.003 0.000 0.228 239 S C 1.808 176.435 174.600 0.045 0.000 1.005 239 S CA 1.006 59.214 58.200 0.015 0.000 0.942 239 S CB -0.510 62.697 63.200 0.012 0.000 0.776 239 S HN 0.419 8.729 8.310 -0.000 0.000 0.514 240 L N 0.107 121.351 121.223 0.034 0.000 2.093 240 L HA 0.148 4.486 4.340 -0.003 0.000 0.208 240 L C 2.359 179.291 176.870 0.103 0.000 1.085 240 L CA 0.877 55.752 54.840 0.058 0.000 0.755 240 L CB -0.320 41.759 42.059 0.033 0.000 0.904 240 L HN 0.329 8.559 8.230 -0.000 0.000 0.435 241 I N -0.685 119.958 120.570 0.122 0.000 3.428 241 I HA 0.197 4.366 4.170 -0.003 0.000 0.286 241 I C 0.738 177.074 176.117 0.365 0.000 1.287 241 I CA 0.229 61.672 61.300 0.237 0.000 1.396 241 I CB -0.045 38.099 38.000 0.240 0.000 1.062 241 I HN 0.113 8.323 8.210 -0.000 0.000 0.471 242 G N -0.326 108.611 108.800 0.230 0.000 2.325 242 G HA2 0.111 4.069 3.960 -0.003 0.000 0.297 242 G HA3 0.111 4.069 3.960 -0.003 0.000 0.297 242 G C -1.332 173.653 174.900 0.142 0.000 1.448 242 G CA -0.871 44.382 45.100 0.255 0.000 0.838 242 G HN 0.031 8.321 8.290 -0.000 0.000 0.579 243 E N -0.708 119.599 120.200 0.178 0.000 2.413 243 E HA 0.474 4.823 4.350 -0.003 0.000 0.263 243 E C -0.450 176.213 176.600 0.104 0.000 1.015 243 E CA 0.101 56.619 56.400 0.197 0.000 0.916 243 E CB 0.811 30.702 29.700 0.317 0.000 0.947 243 E HN 0.518 8.879 8.360 -0.000 0.000 0.440 244 I N 3.101 123.724 120.570 0.088 0.000 2.842 244 I HA 0.190 4.358 4.170 -0.003 0.000 0.297 244 I C -1.461 174.616 176.117 -0.067 0.000 1.380 244 I CA -0.777 60.502 61.300 -0.035 0.000 1.018 244 I CB 1.891 39.864 38.000 -0.045 0.000 1.311 244 I HN 0.465 8.675 8.210 -0.000 0.000 0.439 245 N N 5.589 124.171 118.700 -0.197 0.000 2.472 245 N HA 0.270 5.009 4.740 -0.003 0.000 0.277 245 N C -1.317 174.144 175.510 -0.082 0.000 1.081 245 N CA -0.195 52.746 53.050 -0.180 0.000 0.973 245 N CB 1.245 39.569 38.487 -0.272 0.000 1.105 245 N HN 0.519 8.899 8.380 -0.000 0.000 0.470 246 E N 2.432 122.615 120.200 -0.028 0.000 2.129 246 E HA 0.431 4.780 4.350 -0.003 0.000 0.268 246 E C -0.717 175.867 176.600 -0.025 0.000 0.900 246 E CA -0.480 55.908 56.400 -0.020 0.000 0.755 246 E CB 1.446 31.147 29.700 0.002 0.000 1.117 246 E HN 0.314 8.674 8.360 -0.000 0.000 0.410 247 L N 1.649 122.837 121.223 -0.058 0.000 2.370 247 L HA 0.591 4.929 4.340 -0.003 0.000 0.266 247 L C 0.186 177.031 176.870 -0.042 0.000 1.002 247 L CA -0.851 53.959 54.840 -0.051 0.000 0.818 247 L CB 1.769 43.775 42.059 -0.089 0.000 1.325 247 L HN 0.511 8.741 8.230 -0.000 0.000 0.418 248 E N 0.725 120.919 120.200 -0.009 0.000 2.179 248 E HA 0.812 5.161 4.350 -0.003 0.000 0.275 248 E C -0.256 176.352 176.600 0.014 0.000 0.945 248 E CA -0.141 56.260 56.400 0.002 0.000 0.792 248 E CB 1.882 31.582 29.700 -0.000 0.000 1.125 248 E HN 0.905 9.265 8.360 -0.000 0.000 0.397 249 G N -0.791 108.019 108.800 0.017 0.000 2.721 249 G HA2 0.766 4.725 3.960 -0.003 0.000 0.296 249 G HA3 0.766 4.725 3.960 -0.003 0.000 0.296 249 G C -0.654 174.266 174.900 0.034 0.000 1.383 249 G CA 0.087 45.210 45.100 0.039 0.000 0.788 249 G HN 0.911 9.201 8.290 -0.000 0.000 0.500 250 K N -0.316 120.108 120.400 0.041 0.000 2.159 250 K HA 0.681 4.999 4.320 -0.003 0.000 0.266 250 K C -0.148 176.472 176.600 0.033 0.000 0.975 250 K CA -0.649 55.657 56.287 0.031 0.000 0.865 250 K CB 1.569 34.069 32.500 -0.000 0.000 1.087 250 K HN 0.902 9.152 8.250 -0.000 0.000 0.446 251 V N 3.683 123.611 119.914 0.024 0.000 2.287 251 V HA 0.145 4.263 4.120 -0.003 0.000 0.246 251 V C 0.736 176.842 176.094 0.019 0.000 1.165 251 V CA 0.261 62.574 62.300 0.022 0.000 1.088 251 V CB -0.442 31.390 31.823 0.015 0.000 1.242 251 V HN 0.906 9.096 8.190 -0.000 0.000 0.497 252 T N 1.899 116.466 114.554 0.022 0.000 2.947 252 T HA 0.362 4.710 4.350 -0.003 0.000 0.337 252 T C 0.735 175.442 174.700 0.012 0.000 1.139 252 T CA -0.635 61.474 62.100 0.015 0.000 0.992 252 T CB 0.476 69.353 68.868 0.014 0.000 1.043 252 T HN 0.571 8.811 8.240 -0.000 0.000 0.498 253 N N 2.391 121.096 118.700 0.009 0.000 1.414 253 N HA -0.344 4.394 4.740 -0.003 0.000 0.142 253 N C 0.996 176.510 175.510 0.006 0.000 0.587 253 N CA 2.086 55.139 53.050 0.005 0.000 1.068 253 N CB -1.514 36.974 38.487 0.002 0.000 1.317 253 N HN 1.010 9.390 8.380 -0.000 0.000 0.463 254 E N 2.725 122.927 120.200 0.003 0.000 3.603 254 E HA 0.385 4.733 4.350 -0.003 0.000 0.281 254 E C 1.109 177.713 176.600 0.008 0.000 1.407 254 E CA 1.460 57.861 56.400 0.001 0.000 1.463 254 E CB -1.448 28.253 29.700 -0.000 0.000 1.211 254 E HN 1.116 9.476 8.360 -0.000 0.000 0.440 255 G N -1.492 107.319 108.800 0.019 0.000 2.483 255 G HA2 -0.026 3.932 3.960 -0.003 0.000 0.521 255 G HA3 -0.026 3.932 3.960 -0.003 0.000 0.521 255 G C -0.233 174.703 174.900 0.059 0.000 1.278 255 G CA -0.442 44.683 45.100 0.041 0.000 0.965 255 G HN 0.971 9.261 8.290 -0.000 0.000 0.504 256 V N 0.444 120.425 119.914 0.111 0.000 2.406 256 V HA 0.489 4.608 4.120 -0.003 0.000 0.272 256 V C 0.755 176.955 176.094 0.177 0.000 1.043 256 V CA -0.518 61.859 62.300 0.129 0.000 0.915 256 V CB 1.147 33.044 31.823 0.122 0.000 0.988 256 V HN 0.826 9.016 8.190 -0.000 0.000 0.466 257 V N 7.152 127.130 119.914 0.107 0.000 2.407 257 V HA 0.480 4.598 4.120 -0.003 0.000 0.278 257 V C -0.006 176.149 176.094 0.102 0.000 1.037 257 V CA -0.263 62.088 62.300 0.085 0.000 0.900 257 V CB 1.435 33.280 31.823 0.037 0.000 0.983 257 V HN 0.691 8.881 8.190 -0.000 0.000 0.459 258 I N 4.728 125.371 120.570 0.121 0.000 2.521 258 I HA 0.552 4.720 4.170 -0.003 0.000 0.277 258 I C 0.968 177.127 176.117 0.069 0.000 1.054 258 I CA -0.140 61.231 61.300 0.117 0.000 1.117 258 I CB 1.123 39.247 38.000 0.207 0.000 1.217 258 I HN 0.847 9.057 8.210 -0.000 0.000 0.469 259 G N 4.697 113.521 108.800 0.039 0.000 2.611 259 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.301 259 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.301 259 G C 0.896 175.794 174.900 -0.003 0.000 1.233 259 G CA 0.683 45.794 45.100 0.018 0.000 0.993 259 G HN 0.777 9.067 8.290 -0.000 0.000 0.553 260 S N -0.336 115.354 115.700 -0.017 0.000 2.607 260 S HA 0.398 4.866 4.470 -0.003 0.000 0.224 260 S C 0.768 175.316 174.600 -0.086 0.000 0.969 260 S CA 1.115 59.288 58.200 -0.045 0.000 0.927 260 S CB 0.083 63.257 63.200 -0.044 0.000 0.772 260 S HN 0.678 8.988 8.310 -0.000 0.000 0.533 261 L N 2.038 123.208 121.223 -0.088 0.000 2.307 261 L HA 0.717 5.056 4.340 -0.003 0.000 0.282 261 L C 0.435 177.156 176.870 -0.248 0.000 1.051 261 L CA -0.231 54.478 54.840 -0.218 0.000 0.804 261 L CB 1.224 43.162 42.059 -0.202 0.000 1.197 261 L HN 0.308 8.538 8.230 -0.000 0.000 0.431 262 R N 3.304 123.556 120.500 -0.414 0.000 2.483 262 R HA 0.666 5.005 4.340 -0.003 0.000 0.303 262 R C -1.500 174.555 176.300 -0.408 0.000 0.987 262 R CA -0.459 55.478 56.100 -0.271 0.000 0.881 262 R CB 0.480 30.780 30.300 -0.000 0.000 1.177 262 R HN 0.407 8.677 8.270 -0.000 0.000 0.451 263 F N 4.360 124.295 119.950 -0.025 0.000 2.385 263 F HA 0.412 4.937 4.527 -0.002 0.000 0.360 263 F C -1.355 174.430 175.800 -0.026 0.000 1.122 263 F CA -2.793 55.192 58.000 -0.025 0.000 1.090 263 F CB 2.551 41.535 39.000 -0.026 0.000 1.150 263 F HN 0.423 8.723 8.300 -0.000 0.000 0.472 264 P HA -0.005 4.415 4.420 -0.000 0.000 0.246 264 P C -0.536 176.794 177.300 0.050 0.000 1.675 264 P CA 0.506 63.637 63.100 0.052 0.000 0.908 264 P CB -0.294 31.422 31.700 0.026 0.000 1.890 265 V N -3.856 116.093 119.914 0.059 0.000 3.160 265 V HA 0.990 5.109 4.120 -0.003 0.000 0.310 265 V C -0.639 175.460 176.094 0.007 0.000 1.181 265 V CA -0.952 61.357 62.300 0.015 0.000 1.047 265 V CB 1.551 33.365 31.823 -0.015 0.000 1.068 265 V HN 0.261 8.451 8.190 -0.000 0.000 0.441 266 S N 0.123 115.813 115.700 -0.016 0.000 2.570 266 S HA 0.966 5.435 4.470 -0.003 0.000 0.270 266 S C -0.688 173.897 174.600 -0.026 0.000 1.149 266 S CA -0.212 57.980 58.200 -0.013 0.000 0.837 266 S CB 1.905 65.105 63.200 -0.000 0.000 1.124 266 S HN 2.380 10.690 8.310 -0.000 0.000 0.465 267 V N -1.160 118.745 119.914 -0.016 0.000 3.049 267 V HA 0.826 4.944 4.120 -0.003 0.000 0.309 267 V C -0.051 176.043 176.094 -0.001 0.000 1.148 267 V CA -0.820 61.472 62.300 -0.013 0.000 0.990 267 V CB 1.359 33.174 31.823 -0.013 0.000 1.039 267 V HN 0.824 9.014 8.190 -0.000 0.000 0.430 268 S N 2.353 118.054 115.700 0.002 0.000 4.175 268 S HA 0.472 4.940 4.470 -0.003 0.000 0.193 268 S C 0.223 174.829 174.600 0.009 0.000 1.373 268 S CA 0.388 58.591 58.200 0.005 0.000 0.908 268 S CB -0.803 62.400 63.200 0.005 0.000 1.547 268 S HN 1.121 9.431 8.310 -0.000 0.000 0.440 269 S N 0.129 115.835 115.700 0.010 0.000 2.588 269 S HA 0.549 5.017 4.470 -0.003 0.000 0.269 269 S C 0.687 175.294 174.600 0.012 0.000 1.157 269 S CA 0.036 58.243 58.200 0.013 0.000 0.824 269 S CB 0.850 64.061 63.200 0.018 0.000 1.126 269 S HN 0.394 8.704 8.310 -0.000 0.000 0.464 270 D N 1.611 122.019 120.400 0.012 0.000 2.123 270 D HA 0.202 4.841 4.640 -0.003 0.000 0.200 270 D C 0.867 177.176 176.300 0.014 0.000 0.976 270 D CA 1.016 55.023 54.000 0.012 0.000 0.831 270 D CB -0.103 40.697 40.800 -0.000 0.000 0.974 270 D HN 0.578 8.948 8.370 -0.000 0.000 0.469 271 R N -1.385 119.125 120.500 0.016 0.000 2.854 271 R HA 0.775 5.113 4.340 -0.003 0.000 0.271 271 R C -1.082 175.231 176.300 0.020 0.000 0.996 271 R CA -0.384 55.726 56.100 0.018 0.000 0.961 271 R CB 2.507 32.818 30.300 0.017 0.000 1.182 271 R HN 0.376 8.646 8.270 -0.000 0.000 0.479 272 A N 1.765 124.597 122.820 0.019 0.000 2.556 272 A HA 0.608 4.927 4.320 -0.003 0.000 0.294 272 A C -1.170 176.425 177.584 0.020 0.000 1.091 272 A CA -0.733 51.316 52.037 0.021 0.000 0.704 272 A CB 1.421 20.422 19.000 0.002 0.000 1.300 272 A HN 0.461 8.611 8.150 -0.000 0.000 0.406 273 I N 2.226 122.829 120.570 0.055 0.000 2.336 273 I HA 0.322 4.490 4.170 -0.003 0.000 0.292 273 I C -0.570 175.562 176.117 0.025 0.000 0.991 273 I CA -0.264 61.078 61.300 0.070 0.000 1.227 273 I CB 1.130 39.227 38.000 0.162 0.000 1.366 273 I HN 0.394 8.604 8.210 -0.000 0.000 0.466 274 I N 5.084 125.599 120.570 -0.092 0.000 2.354 274 I HA 0.391 4.560 4.170 -0.003 0.000 0.292 274 I C 0.639 176.662 176.117 -0.157 0.000 0.989 274 I CA -0.210 60.946 61.300 -0.239 0.000 1.188 274 I CB 1.687 39.341 38.000 -0.576 0.000 1.342 274 I HN 0.560 8.770 8.210 -0.000 0.000 0.457 275 G N 6.538 115.275 108.800 -0.106 0.000 2.417 275 G HA2 0.637 4.595 3.960 -0.003 0.000 0.320 275 G HA3 0.637 4.595 3.960 -0.003 0.000 0.320 275 G C -1.327 173.507 174.900 -0.110 0.000 1.204 275 G CA -0.253 44.826 45.100 -0.036 0.000 0.923 275 G HN 0.422 8.712 8.290 -0.000 0.000 0.466 276 I N 1.590 122.090 120.570 -0.116 0.000 2.534 276 I HA 0.412 4.580 4.170 -0.003 0.000 0.286 276 I C 0.092 176.149 176.117 -0.099 0.000 1.094 276 I CA -0.874 60.373 61.300 -0.089 0.000 1.055 276 I CB 1.458 39.423 38.000 -0.058 0.000 1.225 276 I HN 0.486 8.696 8.210 -0.000 0.000 0.435 277 R N 7.651 128.107 120.500 -0.073 0.000 2.641 277 R HA 0.269 4.608 4.340 -0.003 0.000 0.269 277 R C -1.697 174.581 176.300 -0.035 0.000 1.074 277 R CA -1.260 54.800 56.100 -0.067 0.000 1.133 277 R CB 0.076 30.348 30.300 -0.047 0.000 1.029 277 R HN 0.403 8.673 8.270 -0.000 0.000 0.488 278 P HA -0.232 4.188 4.420 -0.000 0.000 0.215 278 P C 0.901 178.296 177.300 0.159 0.000 1.153 278 P CA 1.362 64.454 63.100 -0.014 0.000 0.853 278 P CB 0.029 31.822 31.700 0.154 0.000 0.788 279 E N -0.319 120.005 120.200 0.206 0.000 2.409 279 E HA -0.168 4.181 4.350 -0.003 0.000 0.198 279 E C 0.287 177.050 176.600 0.272 0.000 1.024 279 E CA 1.060 57.602 56.400 0.236 0.000 0.861 279 E CB -0.831 28.986 29.700 0.194 0.000 0.788 279 E HN 0.268 8.628 8.360 -0.000 0.000 0.521 280 D N 1.012 121.547 120.400 0.225 0.000 2.388 280 D HA 0.168 4.806 4.640 -0.003 0.000 0.221 280 D C -0.373 176.193 176.300 0.444 0.000 1.133 280 D CA -0.024 54.127 54.000 0.252 0.000 0.831 280 D CB 0.990 41.855 40.800 0.108 0.000 0.962 280 D HN -0.027 8.343 8.370 -0.000 0.000 0.502 281 V N 0.671 120.822 119.914 0.396 0.000 2.604 281 V HA 0.377 4.496 4.120 -0.003 0.000 0.305 281 V C -0.133 176.006 176.094 0.074 0.000 1.043 281 V CA -0.876 61.590 62.300 0.277 0.000 0.888 281 V CB 3.032 34.922 31.823 0.111 0.000 0.995 281 V HN -0.181 8.009 8.190 -0.000 0.000 0.429 282 K N 4.151 124.428 120.400 -0.206 0.000 2.482 282 K HA 0.698 5.017 4.320 -0.003 0.000 0.251 282 K C -1.678 174.795 176.600 -0.213 0.000 0.936 282 K CA -0.635 55.381 56.287 -0.452 0.000 0.791 282 K CB 1.723 33.449 32.500 -1.290 0.000 1.213 282 K HN 0.618 8.868 8.250 -0.000 0.000 0.428 283 L N 2.020 123.166 121.223 -0.128 0.000 2.322 283 L HA 0.580 4.918 4.340 -0.003 0.000 0.279 283 L C -0.026 176.809 176.870 -0.059 0.000 1.036 283 L CA -0.717 54.096 54.840 -0.046 0.000 0.807 283 L CB 1.776 43.822 42.059 -0.023 0.000 1.226 283 L HN 0.606 8.836 8.230 -0.000 0.000 0.433 284 S N 0.318 116.016 115.700 -0.004 0.000 2.550 284 S HA 0.392 4.860 4.470 -0.003 0.000 0.270 284 S C 0.040 174.648 174.600 0.013 0.000 1.145 284 S CA -0.691 57.495 58.200 -0.024 0.000 0.852 284 S CB 1.809 64.963 63.200 -0.076 0.000 1.119 284 S HN 0.580 8.890 8.310 -0.000 0.000 0.465 285 K N 1.087 121.484 120.400 -0.005 0.000 2.323 285 K HA 0.274 4.593 4.320 -0.003 0.000 0.197 285 K C -0.117 176.487 176.600 0.008 0.000 1.043 285 K CA 0.477 56.767 56.287 0.005 0.000 0.997 285 K CB -0.065 32.437 32.500 0.003 0.000 0.807 285 K HN 0.575 8.825 8.250 -0.000 0.000 0.497 286 D N -0.773 119.628 120.400 0.000 0.000 2.531 286 D HA 0.109 4.747 4.640 -0.003 0.000 0.244 286 D C -1.039 175.280 176.300 0.031 0.000 1.090 286 D CA -0.809 53.196 54.000 0.008 0.000 0.989 286 D CB 2.286 43.078 40.800 -0.014 0.000 1.433 286 D HN -0.263 8.107 8.370 -0.000 0.000 0.492 287 V N 1.785 121.729 119.914 0.051 0.000 2.901 287 V HA 0.119 4.237 4.120 -0.003 0.000 0.307 287 V C -0.277 175.802 176.094 -0.025 0.000 1.084 287 V CA 0.179 62.539 62.300 0.100 0.000 1.184 287 V CB 0.178 32.051 31.823 0.085 0.000 0.941 287 V HN 0.317 8.507 8.190 -0.000 0.000 0.493 288 I N 7.136 127.632 120.570 -0.123 0.000 2.328 288 I HA 0.354 4.523 4.170 -0.003 0.000 0.287 288 I C 0.277 176.329 176.117 -0.107 0.000 1.012 288 I CA -0.601 60.498 61.300 -0.335 0.000 1.195 288 I CB 1.195 38.609 38.000 -0.976 0.000 1.350 288 I HN 0.563 8.773 8.210 -0.000 0.000 0.464 289 K N 5.110 125.481 120.400 -0.049 0.000 2.307 289 K HA 0.167 4.485 4.320 -0.003 0.000 0.240 289 K C -0.843 175.770 176.600 0.021 0.000 1.214 289 K CA 0.058 56.349 56.287 0.007 0.000 1.149 289 K CB -0.429 32.074 32.500 0.005 0.000 1.668 289 K HN 0.460 8.710 8.250 -0.000 0.000 0.314 290 D N 0.181 120.612 120.400 0.051 0.000 2.855 290 D HA 0.165 4.803 4.640 -0.003 0.000 0.241 290 D C 0.268 176.632 176.300 0.105 0.000 1.277 290 D CA -0.163 53.888 54.000 0.086 0.000 0.918 290 D CB 1.451 42.344 40.800 0.155 0.000 1.462 290 D HN 0.331 8.701 8.370 -0.000 0.000 0.559 291 D N 1.282 121.719 120.400 0.062 0.000 2.378 291 D HA -0.082 4.557 4.640 -0.003 0.000 0.227 291 D C 1.506 177.818 176.300 0.020 0.000 1.012 291 D CA 1.401 55.430 54.000 0.048 0.000 0.905 291 D CB 0.017 40.832 40.800 0.024 0.000 0.895 291 D HN 0.348 8.718 8.370 -0.000 0.000 0.532 292 S N -1.653 114.042 115.700 -0.008 0.000 2.387 292 S HA 0.100 4.569 4.470 -0.003 0.000 0.221 292 S C 0.711 175.209 174.600 -0.171 0.000 1.041 292 S CA -0.296 57.816 58.200 -0.146 0.000 0.959 292 S CB -0.455 62.589 63.200 -0.260 0.000 0.843 292 S HN 0.641 8.951 8.310 -0.000 0.000 0.488 293 W N 1.032 122.357 121.300 0.041 0.000 2.261 293 W HA 0.654 5.313 4.660 -0.001 0.000 0.323 293 W C -0.559 176.090 176.519 0.217 0.000 1.243 293 W CA -0.812 56.598 57.345 0.108 0.000 1.210 293 W CB 0.546 30.014 29.460 0.012 0.000 1.149 293 W HN 0.083 8.263 8.180 -0.000 0.000 0.562 294 I N 3.576 124.464 120.570 0.531 0.000 2.465 294 I HA 0.222 4.390 4.170 -0.003 0.000 0.291 294 I C -0.742 175.465 176.117 0.150 0.000 1.014 294 I CA -1.089 60.397 61.300 0.310 0.000 1.093 294 I CB 1.435 39.523 38.000 0.146 0.000 1.267 294 I HN 0.140 8.350 8.210 -0.000 0.000 0.431 295 L N 8.222 129.362 121.223 -0.138 0.000 2.360 295 L HA 0.291 4.629 4.340 -0.003 0.000 0.276 295 L C 0.739 177.392 176.870 -0.362 0.000 1.121 295 L CA 0.410 54.863 54.840 -0.646 0.000 0.845 295 L CB 0.999 42.686 42.059 -0.620 0.000 1.143 295 L HN 0.550 8.780 8.230 -0.000 0.000 0.452 296 V N 2.320 121.995 119.914 -0.398 0.000 3.528 296 V HA 0.822 4.941 4.120 -0.003 0.000 0.294 296 V C 0.725 176.597 176.094 -0.369 0.000 1.404 296 V CA 0.465 62.521 62.300 -0.406 0.000 1.065 296 V CB -0.710 30.737 31.823 -0.626 0.000 0.904 296 V HN 1.187 9.377 8.190 -0.000 0.000 0.435 297 G N 0.283 108.890 108.800 -0.322 0.000 2.334 297 G HA2 0.073 4.031 3.960 -0.003 0.000 0.315 297 G HA3 0.073 4.031 3.960 -0.003 0.000 0.315 297 G C -1.129 173.658 174.900 -0.188 0.000 1.284 297 G CA -0.705 44.256 45.100 -0.230 0.000 0.985 297 G HN 0.336 8.626 8.290 -0.000 0.000 0.504 298 K N -0.450 119.874 120.400 -0.126 0.000 2.098 298 K HA 0.659 4.978 4.320 -0.003 0.000 0.261 298 K C 0.523 177.084 176.600 -0.064 0.000 0.987 298 K CA 0.240 56.476 56.287 -0.085 0.000 0.916 298 K CB 1.623 34.087 32.500 -0.060 0.000 1.039 298 K HN 1.022 9.272 8.250 -0.000 0.000 0.455 299 G N -0.619 108.155 108.800 -0.043 0.000 2.766 299 G HA2 0.683 4.641 3.960 -0.003 0.000 0.288 299 G HA3 0.683 4.641 3.960 -0.003 0.000 0.288 299 G C -1.717 173.176 174.900 -0.013 0.000 1.408 299 G CA -0.655 44.431 45.100 -0.023 0.000 0.852 299 G HN 0.517 8.807 8.290 -0.000 0.000 0.487 300 K N -0.305 120.093 120.400 -0.003 0.000 2.535 300 K HA 0.705 5.023 4.320 -0.003 0.000 0.250 300 K C -0.537 176.067 176.600 0.005 0.000 0.948 300 K CA -0.635 55.652 56.287 -0.000 0.000 0.796 300 K CB 1.577 34.078 32.500 0.002 0.000 1.216 300 K HN 1.077 9.327 8.250 -0.000 0.000 0.432 301 V N 3.896 123.811 119.914 0.001 0.000 2.540 301 V HA 0.028 4.146 4.120 -0.003 0.000 0.297 301 V C 1.756 177.858 176.094 0.014 0.000 1.024 301 V CA 0.680 62.982 62.300 0.003 0.000 1.105 301 V CB 1.039 32.855 31.823 -0.012 0.000 0.938 301 V HN 1.044 9.234 8.190 -0.000 0.000 0.482 302 K N 4.484 124.896 120.400 0.021 0.000 2.141 302 K HA 0.271 4.590 4.320 -0.003 0.000 0.202 302 K C 0.234 176.850 176.600 0.027 0.000 1.045 302 K CA 0.646 56.948 56.287 0.024 0.000 0.971 302 K CB 0.679 33.196 32.500 0.030 0.000 0.795 302 K HN 0.475 8.725 8.250 -0.000 0.000 0.459 303 V N 0.457 120.389 119.914 0.030 0.000 3.225 303 V HA 0.400 4.518 4.120 -0.003 0.000 0.293 303 V C -2.045 174.074 176.094 0.042 0.000 1.405 303 V CA -0.980 61.342 62.300 0.036 0.000 1.038 303 V CB 1.970 33.813 31.823 0.032 0.000 1.123 303 V HN 0.208 8.398 8.190 -0.000 0.000 0.447 304 I N 2.784 123.391 120.570 0.062 0.000 2.545 304 I HA 0.884 5.053 4.170 -0.003 0.000 0.292 304 I C 0.115 176.314 176.117 0.138 0.000 1.040 304 I CA 0.005 61.360 61.300 0.091 0.000 1.068 304 I CB 1.911 39.955 38.000 0.073 0.000 1.251 304 I HN 0.854 9.064 8.210 -0.000 0.000 0.424 305 G N 4.803 113.703 108.800 0.167 0.000 2.788 305 G HA2 0.571 4.530 3.960 -0.003 0.000 0.293 305 G HA3 0.571 4.530 3.960 -0.003 0.000 0.293 305 G C -2.330 172.753 174.900 0.305 0.000 1.305 305 G CA -0.415 44.793 45.100 0.180 0.000 1.005 305 G HN 0.555 8.845 8.290 -0.000 0.000 0.496 306 Y N 0.133 120.467 120.300 0.058 0.000 2.442 306 Y HA 0.554 5.102 4.550 -0.002 0.000 0.330 306 Y C -0.911 174.954 175.900 -0.058 0.000 1.100 306 Y CA -0.734 57.336 58.100 -0.050 0.000 1.034 306 Y CB 1.731 40.115 38.460 -0.126 0.000 1.285 306 Y HN 0.871 9.151 8.280 -0.000 0.000 0.440 307 Q N 3.471 122.863 119.800 -0.680 0.000 2.666 307 Q HA 0.515 4.853 4.340 -0.003 0.000 0.276 307 Q C -0.015 175.671 176.000 -0.523 0.000 0.952 307 Q CA -0.765 54.712 55.803 -0.545 0.000 0.850 307 Q CB 1.390 30.003 28.738 -0.208 0.000 1.512 307 Q HN 1.506 9.776 8.270 -0.000 0.000 0.395 308 G N 0.218 108.775 108.800 -0.404 0.000 2.283 308 G HA2 -0.056 3.903 3.960 -0.003 0.000 0.280 308 G HA3 -0.056 3.903 3.960 -0.003 0.000 0.280 308 G C 0.952 175.661 174.900 -0.318 0.000 1.029 308 G CA 0.971 45.900 45.100 -0.286 0.000 0.840 308 G HN 2.138 10.428 8.290 -0.000 0.000 0.505 309 G N -2.111 106.377 108.800 -0.520 0.000 2.168 309 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.263 309 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.263 309 G C 0.337 175.071 174.900 -0.277 0.000 0.977 309 G CA 0.871 45.767 45.100 -0.339 0.000 0.659 309 G HN 1.374 9.664 8.290 -0.000 0.000 0.533 310 L N -0.570 120.388 121.223 -0.442 0.000 2.342 310 L HA 0.731 5.070 4.340 -0.003 0.000 0.271 310 L C 0.127 176.935 176.870 -0.103 0.000 1.008 310 L CA -1.319 53.433 54.840 -0.147 0.000 0.818 310 L CB 1.459 43.509 42.059 -0.014 0.000 1.296 310 L HN 0.016 8.246 8.230 -0.000 0.000 0.427 311 F N 1.368 121.495 119.950 0.295 0.000 2.396 311 F HA 0.411 4.936 4.527 -0.003 0.000 0.343 311 F C 0.556 176.486 175.800 0.216 0.000 1.104 311 F CA -0.326 57.838 58.000 0.272 0.000 1.161 311 F CB 0.883 39.981 39.000 0.164 0.000 1.146 311 F HN 0.296 8.596 8.300 -0.000 0.000 0.522 312 R N 4.751 125.438 120.500 0.313 0.000 2.275 312 R HA 0.530 4.868 4.340 -0.003 0.000 0.326 312 R C -1.377 174.962 176.300 0.065 0.000 0.973 312 R CA -0.400 55.738 56.100 0.064 0.000 0.854 312 R CB 0.382 30.675 30.300 -0.011 0.000 1.156 312 R HN 0.703 8.973 8.270 -0.000 0.000 0.487 313 I N 3.462 124.057 120.570 0.041 0.000 2.321 313 I HA 0.231 4.399 4.170 -0.003 0.000 0.291 313 I C -0.077 176.072 176.117 0.054 0.000 0.998 313 I CA -0.498 60.826 61.300 0.039 0.000 1.227 313 I CB 2.160 40.167 38.000 0.012 0.000 1.368 313 I HN 0.435 8.645 8.210 -0.000 0.000 0.466 314 T N 7.303 121.891 114.554 0.056 0.000 2.758 314 T HA 0.618 4.967 4.350 -0.003 0.000 0.285 314 T C -0.232 174.500 174.700 0.053 0.000 0.981 314 T CA -0.354 61.796 62.100 0.084 0.000 0.965 314 T CB 0.917 69.833 68.868 0.080 0.000 0.927 314 T HN 0.432 8.672 8.240 -0.000 0.000 0.448 315 I N 0.705 121.307 120.570 0.053 0.000 2.910 315 I HA 0.914 5.082 4.170 -0.003 0.000 0.310 315 I C 0.064 176.206 176.117 0.042 0.000 1.043 315 I CA -0.826 60.496 61.300 0.035 0.000 1.053 315 I CB 2.022 40.035 38.000 0.021 0.000 1.242 315 I HN 0.588 8.798 8.210 -0.000 0.000 0.452 316 T N 0.349 114.922 114.554 0.033 0.000 2.916 316 T HA 0.791 5.140 4.350 -0.003 0.000 0.292 316 T C -2.930 171.786 174.700 0.026 0.000 1.055 316 T CA -2.101 60.021 62.100 0.036 0.000 1.009 316 T CB 1.714 70.601 68.868 0.032 0.000 1.118 316 T HN 0.537 8.777 8.240 -0.000 0.000 0.497 317 P HA 0.295 4.715 4.420 -0.000 0.000 0.274 317 P C -0.009 177.295 177.300 0.007 0.000 1.246 317 P CA -0.753 62.355 63.100 0.014 0.000 0.795 317 P CB 0.379 32.095 31.700 0.028 0.000 1.006 318 L N 1.767 122.986 121.223 -0.006 0.000 2.483 318 L HA 0.019 4.357 4.340 -0.003 0.000 0.275 318 L C 0.941 177.812 176.870 0.001 0.000 1.220 318 L CA 0.254 55.091 54.840 -0.005 0.000 0.833 318 L CB -0.312 41.739 42.059 -0.013 0.000 1.102 318 L HN 0.726 8.956 8.230 -0.000 0.000 0.490 319 D N 1.465 121.867 120.400 0.003 0.000 2.755 319 D HA -0.229 4.410 4.640 -0.003 0.000 0.227 319 D C -0.437 175.870 176.300 0.012 0.000 1.211 319 D CA 0.913 54.917 54.000 0.006 0.000 0.663 319 D CB -0.716 40.085 40.800 0.003 0.000 0.983 319 D HN 0.559 8.929 8.370 -0.000 0.000 0.407 320 S N -1.508 114.202 115.700 0.016 0.000 2.578 320 S HA 0.569 5.037 4.470 -0.003 0.000 0.272 320 S C 0.132 174.747 174.600 0.025 0.000 1.145 320 S CA 0.331 58.545 58.200 0.023 0.000 0.835 320 S CB 1.545 64.764 63.200 0.032 0.000 1.104 320 S HN 0.528 8.838 8.310 -0.000 0.000 0.458 321 E N 1.091 121.307 120.200 0.027 0.000 2.498 321 E HA 0.296 4.645 4.350 -0.003 0.000 0.203 321 E C 0.046 176.666 176.600 0.034 0.000 1.013 321 E CA -0.059 56.358 56.400 0.027 0.000 0.927 321 E CB 0.003 29.716 29.700 0.023 0.000 1.012 321 E HN 0.636 8.996 8.360 -0.000 0.000 0.482 322 E N 1.580 121.804 120.200 0.039 0.000 2.376 322 E HA 0.194 4.543 4.350 -0.003 0.000 0.266 322 E C -0.077 176.555 176.600 0.053 0.000 1.009 322 E CA 0.059 56.486 56.400 0.045 0.000 0.902 322 E CB 0.857 30.587 29.700 0.049 0.000 0.972 322 E HN 0.790 9.150 8.360 -0.000 0.000 0.439 323 E N 2.644 122.879 120.200 0.059 0.000 2.207 323 E HA 0.633 4.982 4.350 -0.003 0.000 0.270 323 E C -0.375 176.268 176.600 0.072 0.000 0.927 323 E CA -0.736 55.708 56.400 0.073 0.000 0.799 323 E CB 1.466 31.219 29.700 0.088 0.000 1.172 323 E HN 0.292 8.652 8.360 -0.000 0.000 0.404 324 I N 2.907 123.515 120.570 0.065 0.000 2.466 324 I HA 0.351 4.519 4.170 -0.003 0.000 0.289 324 I C -0.858 175.279 176.117 0.033 0.000 1.026 324 I CA -1.086 60.215 61.300 0.001 0.000 1.078 324 I CB 1.017 39.024 38.000 0.012 0.000 1.249 324 I HN 0.558 8.768 8.210 -0.000 0.000 0.429 325 F N 3.830 123.759 119.950 -0.035 0.000 2.523 325 F HA 0.913 5.438 4.527 -0.003 0.000 0.329 325 F C -0.186 175.531 175.800 -0.139 0.000 1.061 325 F CA -0.677 57.261 58.000 -0.104 0.000 0.967 325 F CB 1.784 40.692 39.000 -0.152 0.000 1.218 325 F HN 0.360 8.660 8.300 -0.000 0.000 0.480 326 T N 0.401 114.950 114.554 -0.008 0.000 2.769 326 T HA 0.541 4.889 4.350 -0.003 0.000 0.306 326 T C -2.122 172.497 174.700 -0.134 0.000 1.400 326 T CA -0.644 61.412 62.100 -0.073 0.000 1.007 326 T CB 0.854 69.726 68.868 0.007 0.000 1.392 326 T HN 0.595 8.835 8.240 -0.000 0.000 0.500 327 Y N 0.675 121.091 120.300 0.195 0.000 2.468 327 Y HA 0.754 5.303 4.550 -0.003 0.000 0.342 327 Y C 0.518 176.516 175.900 0.163 0.000 1.021 327 Y CA -0.496 57.714 58.100 0.183 0.000 1.079 327 Y CB 2.339 40.893 38.460 0.157 0.000 1.226 327 Y HN 0.628 8.908 8.280 -0.000 0.000 0.460 328 S N 0.024 115.940 115.700 0.359 0.000 2.567 328 S HA 0.223 4.691 4.470 -0.003 0.000 0.270 328 S C -0.831 174.000 174.600 0.386 0.000 1.152 328 S CA -0.778 57.598 58.200 0.294 0.000 0.835 328 S CB 0.792 64.123 63.200 0.218 0.000 1.115 328 S HN 0.762 9.072 8.310 -0.000 0.000 0.459 329 D N 0.513 121.111 120.400 0.330 0.000 2.340 329 D HA 0.120 4.758 4.640 -0.003 0.000 0.220 329 D C 0.363 176.951 176.300 0.479 0.000 1.039 329 D CA 0.392 54.636 54.000 0.406 0.000 0.866 329 D CB -0.175 40.775 40.800 0.250 0.000 0.913 329 D HN 0.475 8.845 8.370 -0.000 0.000 0.523 330 H N 1.457 120.646 119.070 0.197 0.000 2.581 330 H HA 0.355 4.909 4.556 -0.003 0.000 0.308 330 H C -2.555 172.620 175.328 -0.255 0.000 1.040 330 H CA -2.380 53.657 56.048 -0.017 0.000 1.231 330 H CB 1.175 30.916 29.762 -0.035 0.000 1.396 330 H HN -0.140 8.140 8.280 -0.000 0.000 0.467 331 P HA 0.205 4.625 4.420 -0.000 0.000 0.280 331 P C -0.694 175.941 177.300 -1.107 0.000 1.244 331 P CA -0.158 62.153 63.100 -1.315 0.000 0.784 331 P CB 1.645 32.288 31.700 -1.762 0.000 0.913 332 I N 3.332 123.432 120.570 -0.784 0.000 2.498 332 I HA 0.316 4.484 4.170 -0.003 0.000 0.290 332 I C 0.777 176.573 176.117 -0.535 0.000 1.032 332 I CA -0.942 60.007 61.300 -0.584 0.000 1.073 332 I CB 1.690 39.534 38.000 -0.261 0.000 1.251 332 I HN 0.340 8.550 8.210 -0.000 0.000 0.426 333 H N 2.808 121.793 119.070 -0.142 0.000 2.499 333 H HA 0.214 4.768 4.556 -0.002 0.000 0.352 333 H C 0.172 175.465 175.328 -0.057 0.000 1.237 333 H CA -0.499 55.489 56.048 -0.100 0.000 1.343 333 H CB 1.579 31.283 29.762 -0.097 0.000 1.578 333 H HN 0.480 8.760 8.280 -0.000 0.000 0.577 334 S N -0.256 115.506 115.700 0.104 0.000 2.552 334 S HA 0.183 4.651 4.470 -0.003 0.000 0.289 334 S C 1.350 175.973 174.600 0.038 0.000 1.304 334 S CA 0.850 59.080 58.200 0.050 0.000 1.063 334 S CB -0.363 62.863 63.200 0.042 0.000 0.848 334 S HN 0.933 9.243 8.310 -0.000 0.000 0.499 335 G N 3.264 112.078 108.800 0.022 0.000 2.268 335 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.240 335 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.240 335 G C -0.029 174.879 174.900 0.012 0.000 1.010 335 G CA 0.357 45.466 45.100 0.015 0.000 0.618 335 G HN 0.787 9.077 8.290 -0.000 0.000 0.516 336 E N 1.786 121.995 120.200 0.015 0.000 2.344 336 E HA 0.475 4.824 4.350 -0.003 0.000 0.270 336 E C 0.508 177.108 176.600 -0.001 0.000 1.021 336 E CA -0.067 56.338 56.400 0.007 0.000 0.887 336 E CB 0.289 29.992 29.700 0.005 0.000 0.997 336 E HN 0.510 8.870 8.360 -0.000 0.000 0.429 337 E N 2.003 122.202 120.200 -0.002 0.000 2.343 337 E HA 0.376 4.725 4.350 -0.003 0.000 0.269 337 E C -0.564 176.031 176.600 -0.007 0.000 1.047 337 E CA -0.613 55.783 56.400 -0.006 0.000 0.874 337 E CB 1.342 31.038 29.700 -0.007 0.000 1.033 337 E HN 0.358 8.718 8.360 -0.000 0.000 0.409 338 V N -0.719 119.189 119.914 -0.011 0.000 3.206 338 V HA 0.495 4.614 4.120 -0.003 0.000 0.305 338 V C -0.840 175.246 176.094 -0.014 0.000 1.257 338 V CA -1.220 61.076 62.300 -0.006 0.000 1.057 338 V CB 1.363 33.182 31.823 -0.007 0.000 1.075 338 V HN 0.494 8.684 8.190 -0.000 0.000 0.443 339 L N 1.611 122.838 121.223 0.007 0.000 2.312 339 L HA 0.642 4.980 4.340 -0.003 0.000 0.281 339 L C -0.589 176.272 176.870 -0.016 0.000 1.070 339 L CA -0.782 54.046 54.840 -0.019 0.000 0.805 339 L CB 1.685 43.796 42.059 0.086 0.000 1.174 339 L HN 0.552 8.782 8.230 -0.000 0.000 0.434 340 V N 3.498 123.332 119.914 -0.132 0.000 2.370 340 V HA 0.345 4.463 4.120 -0.003 0.000 0.283 340 V C -0.702 175.280 176.094 -0.186 0.000 1.023 340 V CA -0.549 61.697 62.300 -0.089 0.000 0.857 340 V CB 1.004 32.778 31.823 -0.081 0.000 0.985 340 V HN 0.412 8.602 8.190 -0.000 0.000 0.443 341 Y N 3.379 123.643 120.300 -0.060 0.000 2.468 341 Y HA 0.762 5.310 4.550 -0.003 0.000 0.342 341 Y C 0.189 176.229 175.900 0.235 0.000 1.021 341 Y CA -0.760 57.365 58.100 0.041 0.000 1.079 341 Y CB 2.325 40.743 38.460 -0.070 0.000 1.226 341 Y HN 0.555 8.835 8.280 -0.000 0.000 0.460 342 V N -0.146 120.100 119.914 0.553 0.000 3.078 342 V HA 0.660 4.779 4.120 -0.003 0.000 0.311 342 V C -0.807 175.541 176.094 0.423 0.000 1.138 342 V CA -1.561 61.070 62.300 0.553 0.000 1.007 342 V CB 2.076 34.097 31.823 0.331 0.000 1.045 342 V HN 0.623 8.813 8.190 -0.000 0.000 0.432 343 R N 1.957 122.523 120.500 0.110 0.000 2.288 343 R HA 0.369 4.708 4.340 -0.003 0.000 0.330 343 R C 1.436 177.720 176.300 -0.027 0.000 1.069 343 R CA 0.531 56.525 56.100 -0.177 0.000 0.941 343 R CB 0.867 30.980 30.300 -0.312 0.000 0.998 343 R HN 1.077 9.347 8.270 -0.000 0.000 0.452 344 K N 3.211 123.605 120.400 -0.010 0.000 2.034 344 K HA -0.189 4.129 4.320 -0.003 0.000 0.214 344 K C 1.029 177.628 176.600 -0.002 0.000 1.051 344 K CA 2.131 58.428 56.287 0.018 0.000 0.931 344 K CB -0.458 32.042 32.500 -0.000 0.000 0.715 344 K HN 0.592 8.842 8.250 -0.000 0.000 0.446 345 D N -0.078 120.303 120.400 -0.031 0.000 2.352 345 D HA -0.019 4.619 4.640 -0.003 0.000 0.232 345 D C 0.853 177.133 176.300 -0.033 0.000 1.055 345 D CA 0.405 54.386 54.000 -0.032 0.000 0.891 345 D CB 0.462 41.240 40.800 -0.037 0.000 0.897 345 D HN 0.344 8.714 8.370 -0.000 0.000 0.529 346 K N 0.291 120.672 120.400 -0.030 0.000 2.358 346 K HA 0.218 4.537 4.320 -0.003 0.000 0.200 346 K C 0.760 177.342 176.600 -0.029 0.000 1.030 346 K CA -0.296 55.974 56.287 -0.027 0.000 1.097 346 K CB 1.179 33.663 32.500 -0.027 0.000 0.862 346 K HN 0.197 8.447 8.250 -0.000 0.000 0.534 347 I N 2.292 122.849 120.570 -0.023 0.000 2.496 347 I HA -0.013 4.156 4.170 -0.003 0.000 0.285 347 I C 0.044 176.087 176.117 -0.125 0.000 1.080 347 I CA 0.112 61.383 61.300 -0.048 0.000 1.404 347 I CB 0.433 38.437 38.000 0.008 0.000 1.403 347 I HN -0.245 7.965 8.210 -0.000 0.000 0.539 348 K N 5.348 125.638 120.400 -0.182 0.000 2.182 348 K HA 0.691 5.010 4.320 -0.003 0.000 0.262 348 K C -1.131 175.183 176.600 -0.478 0.000 0.957 348 K CA -0.638 55.451 56.287 -0.330 0.000 0.842 348 K CB 2.670 35.031 32.500 -0.233 0.000 1.099 348 K HN 0.308 8.558 8.250 -0.000 0.000 0.438 349 V N 4.695 124.176 119.914 -0.721 0.000 2.760 349 V HA 0.642 4.760 4.120 -0.003 0.000 0.309 349 V C -1.908 173.708 176.094 -0.797 0.000 1.077 349 V CA -0.600 61.356 62.300 -0.573 0.000 0.910 349 V CB 0.877 32.531 31.823 -0.280 0.000 1.008 349 V HN 0.649 8.839 8.190 -0.000 0.000 0.424 350 F N 2.663 122.582 119.950 -0.052 0.000 2.588 350 F HA 0.566 5.091 4.527 -0.004 0.000 0.314 350 F C 0.353 176.134 175.800 -0.031 0.000 1.069 350 F CA -0.828 57.149 58.000 -0.037 0.000 0.931 350 F CB 1.688 40.665 39.000 -0.038 0.000 1.260 350 F HN 0.405 8.705 8.300 -0.000 0.000 0.465 351 E N 2.185 122.485 120.200 0.165 0.000 2.384 351 E HA 0.046 4.395 4.350 -0.003 0.000 0.266 351 E C 0.002 176.651 176.600 0.082 0.000 1.012 351 E CA -0.257 56.196 56.400 0.088 0.000 0.901 351 E CB 0.838 30.576 29.700 0.063 0.000 0.967 351 E HN 0.261 8.621 8.360 -0.000 0.000 0.435 352 K N 0.000 120.431 120.400 0.052 0.000 2.780 352 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 352 K CA 0.000 56.309 56.287 0.036 0.000 0.838 352 K CB 0.000 32.516 32.500 0.026 0.000 1.064 352 K HN 0.000 8.250 8.250 -0.000 0.000 0.543