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 2w49_1_J DATA FIRST_RESID 1 DATA SEQUENCE DEDETTALVC DNGSGLVKAG FAGDDAPRAV FPSIVGRPRH QGVMVGMGQK DATA SEQUENCE DSYVGDEAQS KRGILTLKYP IEHGIITNWD DMEKIWHHTF YNELRVAPEE DATA SEQUENCE HPTLLTEAPL NPKANREKMT QIMFETFNVP AMYVAIQAVL SLYASGRTTG DATA SEQUENCE IVLDSGDGVT HNVPIYEGYA LPHAIMRLDL AGRDLTDYLM KILTERGYSF DATA SEQUENCE VTTAEREIVR DIKEKLCYVA LDFENEMATA ASSSSLEKSY ELPDGQVITI DATA SEQUENCE GNERFRCPET LFQPSFIGME SAGIHETTYN SIMKCDIDIR KDLYANNVMS DATA SEQUENCE GGTTMYPGIA DRMQKEITAL APSTMKIKII APPERKYSVW IGGSILASLS DATA SEQUENCE TFQQMWITKQ EYDEAGPSIV HR 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 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1 D C 0.000 176.287 176.300 -0.021 0.000 2.045 1 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 1 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 2 E N 1.386 121.565 120.200 -0.035 0.000 2.196 2 E HA -0.235 4.104 4.350 -0.019 0.000 0.222 2 E C 1.032 177.578 176.600 -0.089 0.000 1.072 2 E CA 2.707 59.070 56.400 -0.063 0.000 0.902 2 E CB -0.204 29.463 29.700 -0.056 0.000 0.780 2 E HN 0.669 9.029 8.360 -0.000 0.000 0.467 3 D N -2.150 118.213 120.400 -0.062 0.000 2.520 3 D HA 0.013 4.642 4.640 -0.019 0.000 0.223 3 D C 1.305 177.617 176.300 0.020 0.000 1.186 3 D CA 0.138 54.099 54.000 -0.064 0.000 0.821 3 D CB -0.485 40.228 40.800 -0.144 0.000 1.072 3 D HN 0.201 8.571 8.370 -0.000 0.000 0.518 4 E N 1.359 121.581 120.200 0.037 0.000 2.085 4 E HA -0.228 4.111 4.350 -0.019 0.000 0.194 4 E C 1.355 178.002 176.600 0.079 0.000 0.994 4 E CA 2.194 58.634 56.400 0.067 0.000 0.801 4 E CB 0.035 29.763 29.700 0.047 0.000 0.743 4 E HN 0.404 8.764 8.360 -0.000 0.000 0.453 5 T N -1.971 112.616 114.554 0.056 0.000 2.851 5 T HA -0.035 4.304 4.350 -0.019 0.000 0.262 5 T C 1.971 176.767 174.700 0.159 0.000 1.043 5 T CA 1.447 63.585 62.100 0.063 0.000 1.140 5 T CB -0.629 68.240 68.868 0.003 0.000 0.872 5 T HN 0.019 8.259 8.240 -0.000 0.000 0.446 6 T N 2.221 116.858 114.554 0.139 0.000 3.035 6 T HA 0.386 4.724 4.350 -0.019 0.000 0.268 6 T C 1.033 175.915 174.700 0.304 0.000 1.109 6 T CA 0.506 62.734 62.100 0.213 0.000 1.119 6 T CB -0.461 68.356 68.868 -0.085 0.000 0.900 6 T HN 0.682 8.922 8.240 -0.000 0.000 0.503 7 A N 1.751 124.693 122.820 0.202 0.000 2.409 7 A HA 0.578 4.886 4.320 -0.019 0.000 0.262 7 A C 0.060 177.757 177.584 0.188 0.000 1.113 7 A CA -0.392 51.745 52.037 0.168 0.000 0.790 7 A CB 0.032 19.188 19.000 0.259 0.000 1.046 7 A HN 0.450 8.600 8.150 -0.000 0.000 0.496 8 L N 2.379 123.661 121.223 0.099 0.000 2.344 8 L HA 0.634 4.963 4.340 -0.019 0.000 0.272 8 L C -0.658 176.217 176.870 0.009 0.000 1.035 8 L CA -0.898 53.928 54.840 -0.023 0.000 0.807 8 L CB 1.701 43.705 42.059 -0.093 0.000 1.237 8 L HN 0.388 8.618 8.230 -0.000 0.000 0.442 9 V N 1.282 121.187 119.914 -0.014 0.000 2.482 9 V HA 0.239 4.348 4.120 -0.019 0.000 0.295 9 V C -0.811 175.361 176.094 0.130 0.000 1.026 9 V CA -0.548 61.706 62.300 -0.077 0.000 0.856 9 V CB 1.911 33.409 31.823 -0.541 0.000 1.001 9 V HN 0.895 9.085 8.190 -0.000 0.000 0.424 10 C N 4.423 123.776 119.300 0.089 0.000 2.316 10 C HA 0.652 5.101 4.460 -0.019 0.000 0.324 10 C C -0.521 174.558 174.990 0.148 0.000 1.226 10 C CA -0.461 58.643 59.018 0.143 0.000 1.450 10 C CB 0.259 28.035 27.740 0.059 0.000 2.123 10 C HN 0.951 9.181 8.230 -0.000 0.000 0.454 11 D N 4.807 125.338 120.400 0.218 0.000 2.412 11 D HA 0.269 4.897 4.640 -0.019 0.000 0.224 11 D C -0.291 176.060 176.300 0.084 0.000 1.093 11 D CA 0.099 54.198 54.000 0.165 0.000 0.850 11 D CB 0.540 41.493 40.800 0.255 0.000 1.046 11 D HN 0.627 8.997 8.370 -0.000 0.000 0.507 12 N N 2.900 121.646 118.700 0.077 0.000 2.408 12 N HA 0.430 5.159 4.740 -0.019 0.000 0.257 12 N C 0.176 175.682 175.510 -0.007 0.000 1.064 12 N CA -0.231 52.830 53.050 0.017 0.000 0.952 12 N CB 1.798 40.322 38.487 0.062 0.000 1.093 12 N HN 0.458 8.838 8.380 -0.000 0.000 0.490 13 G N 0.051 108.822 108.800 -0.049 0.000 2.644 13 G HA2 0.265 4.214 3.960 -0.019 0.000 0.307 13 G HA3 0.265 4.214 3.960 -0.019 0.000 0.307 13 G C 0.485 175.363 174.900 -0.037 0.000 1.250 13 G CA -0.419 44.666 45.100 -0.025 0.000 0.996 13 G HN 0.382 8.672 8.290 -0.000 0.000 0.489 14 S N -0.815 114.879 115.700 -0.010 0.000 2.406 14 S HA 0.007 4.466 4.470 -0.019 0.000 0.228 14 S C 2.064 176.700 174.600 0.060 0.000 1.020 14 S CA 1.434 59.632 58.200 -0.003 0.000 0.965 14 S CB 0.053 63.234 63.200 -0.030 0.000 0.798 14 S HN 0.804 9.114 8.310 -0.000 0.000 0.488 15 G N 0.071 108.897 108.800 0.044 0.000 2.828 15 G HA2 0.363 4.311 3.960 -0.019 0.000 0.201 15 G HA3 0.363 4.311 3.960 -0.019 0.000 0.201 15 G C 0.024 174.931 174.900 0.012 0.000 1.102 15 G CA 0.017 45.171 45.100 0.090 0.000 0.815 15 G HN 0.195 8.485 8.290 -0.000 0.000 0.590 16 L N 1.206 122.405 121.223 -0.040 0.000 2.354 16 L HA 0.639 4.967 4.340 -0.019 0.000 0.269 16 L C -0.357 176.389 176.870 -0.208 0.000 1.005 16 L CA -1.168 53.605 54.840 -0.113 0.000 0.819 16 L CB 1.815 43.844 42.059 -0.051 0.000 1.311 16 L HN -0.125 8.105 8.230 -0.000 0.000 0.423 17 V N 2.171 121.824 119.914 -0.436 0.000 2.539 17 V HA 0.502 4.611 4.120 -0.019 0.000 0.292 17 V C -0.177 175.710 176.094 -0.344 0.000 1.045 17 V CA -0.819 61.192 62.300 -0.481 0.000 0.945 17 V CB 1.798 33.046 31.823 -0.958 0.000 0.993 17 V HN 0.598 8.788 8.190 -0.000 0.000 0.464 18 K N 2.948 123.247 120.400 -0.168 0.000 2.323 18 K HA 0.879 5.188 4.320 -0.019 0.000 0.259 18 K C -0.481 176.036 176.600 -0.139 0.000 0.947 18 K CA -0.057 56.095 56.287 -0.224 0.000 0.819 18 K CB 1.975 34.370 32.500 -0.175 0.000 1.109 18 K HN 0.954 9.204 8.250 -0.000 0.000 0.429 19 A N 1.095 123.767 122.820 -0.248 0.000 2.593 19 A HA 0.960 5.269 4.320 -0.019 0.000 0.290 19 A C -0.580 176.943 177.584 -0.102 0.000 1.126 19 A CA -0.203 51.847 52.037 0.022 0.000 0.695 19 A CB 1.685 20.698 19.000 0.021 0.000 1.290 19 A HN 0.784 8.934 8.150 -0.000 0.000 0.414 20 G N -1.319 107.496 108.800 0.025 0.000 2.352 20 G HA2 0.504 4.452 3.960 -0.019 0.000 0.283 20 G HA3 0.504 4.452 3.960 -0.019 0.000 0.283 20 G C -1.665 173.145 174.900 -0.149 0.000 1.308 20 G CA -0.750 44.316 45.100 -0.056 0.000 0.892 20 G HN 0.898 9.188 8.290 -0.000 0.000 0.504 21 F N 1.372 121.522 119.950 0.334 0.000 2.443 21 F HA 0.700 5.216 4.527 -0.018 0.000 0.335 21 F C 1.014 176.930 175.800 0.193 0.000 1.104 21 F CA -0.043 58.082 58.000 0.208 0.000 1.013 21 F CB 2.062 41.141 39.000 0.131 0.000 1.136 21 F HN 0.738 9.038 8.300 -0.000 0.000 0.470 22 A N 1.981 124.925 122.820 0.207 0.000 2.520 22 A HA 0.463 4.771 4.320 -0.019 0.000 0.245 22 A C 1.120 178.787 177.584 0.139 0.000 1.072 22 A CA 0.934 53.004 52.037 0.055 0.000 0.761 22 A CB -0.675 18.354 19.000 0.049 0.000 1.004 22 A HN 1.433 9.583 8.150 -0.000 0.000 0.499 23 G N 2.207 111.063 108.800 0.094 0.000 2.659 23 G HA2 -0.170 3.779 3.960 -0.019 0.000 0.202 23 G HA3 -0.170 3.779 3.960 -0.019 0.000 0.202 23 G C 0.043 175.035 174.900 0.154 0.000 1.186 23 G CA 0.117 45.285 45.100 0.113 0.000 0.783 23 G HN 0.764 9.054 8.290 -0.000 0.000 0.521 24 D N 1.420 121.972 120.400 0.254 0.000 2.364 24 D HA 0.248 4.877 4.640 -0.019 0.000 0.236 24 D C 0.594 177.074 176.300 0.301 0.000 1.221 24 D CA 0.166 54.331 54.000 0.273 0.000 0.891 24 D CB 0.643 41.650 40.800 0.344 0.000 1.190 24 D HN 0.293 8.663 8.370 -0.000 0.000 0.449 25 D N -0.793 119.735 120.400 0.214 0.000 2.333 25 D HA 0.176 4.805 4.640 -0.019 0.000 0.208 25 D C 0.180 176.619 176.300 0.231 0.000 0.984 25 D CA 0.488 54.606 54.000 0.196 0.000 0.873 25 D CB 0.683 41.551 40.800 0.114 0.000 0.935 25 D HN 0.356 8.726 8.370 -0.000 0.000 0.521 26 A N 1.031 123.925 122.820 0.122 0.000 2.606 26 A HA 0.504 4.813 4.320 -0.019 0.000 0.293 26 A C -2.714 174.418 177.584 -0.754 0.000 1.082 26 A CA -1.178 50.747 52.037 -0.186 0.000 0.685 26 A CB 1.557 20.481 19.000 -0.127 0.000 1.284 26 A HN -0.245 7.905 8.150 -0.000 0.000 0.408 27 P HA 0.108 4.528 4.420 -0.000 0.000 0.264 27 P C 0.171 177.046 177.300 -0.709 0.000 1.193 27 P CA 0.106 62.271 63.100 -1.558 0.000 0.763 27 P CB 0.890 31.633 31.700 -1.596 0.000 0.810 28 R N 3.293 123.525 120.500 -0.447 0.000 2.148 28 R HA 0.113 4.442 4.340 -0.019 0.000 0.223 28 R C 0.393 176.604 176.300 -0.148 0.000 1.088 28 R CA 1.085 57.083 56.100 -0.171 0.000 0.985 28 R CB -0.303 30.002 30.300 0.009 0.000 0.880 28 R HN 0.619 8.889 8.270 -0.000 0.000 0.451 29 A N -0.445 122.263 122.820 -0.187 0.000 2.381 29 A HA 0.635 4.944 4.320 -0.019 0.000 0.299 29 A C -1.544 176.040 177.584 -0.000 0.000 1.049 29 A CA -0.686 51.339 52.037 -0.021 0.000 0.715 29 A CB 1.910 20.963 19.000 0.088 0.000 1.222 29 A HN -0.032 8.118 8.150 -0.000 0.000 0.428 30 V N 2.729 122.710 119.914 0.110 0.000 2.623 30 V HA 0.817 4.926 4.120 -0.019 0.000 0.304 30 V C -0.965 175.297 176.094 0.281 0.000 1.054 30 V CA -0.483 61.854 62.300 0.061 0.000 0.882 30 V CB 0.863 32.672 31.823 -0.024 0.000 1.002 30 V HN 1.175 9.365 8.190 -0.000 0.000 0.424 31 F N 3.585 123.518 119.950 -0.029 0.000 2.725 31 F HA 0.826 5.343 4.527 -0.017 0.000 0.309 31 F C -3.138 172.644 175.800 -0.030 0.000 1.132 31 F CA -2.418 55.572 58.000 -0.017 0.000 0.957 31 F CB 1.338 40.341 39.000 0.005 0.000 1.286 31 F HN 0.317 8.617 8.300 -0.000 0.000 0.440 32 P HA 0.021 4.441 4.420 -0.000 0.000 0.269 32 P C -0.256 177.000 177.300 -0.074 0.000 1.209 32 P CA 0.017 63.112 63.100 -0.009 0.000 0.776 32 P CB 1.408 33.098 31.700 -0.018 0.000 0.876 33 S N 2.347 117.939 115.700 -0.180 0.000 3.548 33 S HA 0.261 4.720 4.470 -0.019 0.000 0.195 33 S C 0.331 174.723 174.600 -0.347 0.000 1.432 33 S CA -0.579 57.485 58.200 -0.227 0.000 1.087 33 S CB -1.274 61.824 63.200 -0.170 0.000 1.337 33 S HN 0.185 8.495 8.310 -0.000 0.000 0.505 34 I N 0.357 120.730 120.570 -0.328 0.000 2.957 34 I HA 0.670 4.829 4.170 -0.019 0.000 0.310 34 I C -0.476 175.508 176.117 -0.221 0.000 1.063 34 I CA -1.278 59.778 61.300 -0.406 0.000 1.033 34 I CB 1.439 39.175 38.000 -0.440 0.000 1.230 34 I HN -0.173 8.037 8.210 -0.000 0.000 0.447 35 V N 1.557 121.360 119.914 -0.184 0.000 2.532 35 V HA 0.627 4.736 4.120 -0.019 0.000 0.294 35 V C 0.208 176.259 176.094 -0.072 0.000 1.036 35 V CA -0.439 61.798 62.300 -0.105 0.000 0.876 35 V CB 1.744 33.512 31.823 -0.093 0.000 1.012 35 V HN 1.045 9.235 8.190 -0.000 0.000 0.432 36 G N 3.126 111.916 108.800 -0.017 0.000 2.371 36 G HA2 0.705 4.654 3.960 -0.019 0.000 0.326 36 G HA3 0.705 4.654 3.960 -0.019 0.000 0.326 36 G C -0.827 174.111 174.900 0.063 0.000 1.127 36 G CA -0.680 44.429 45.100 0.014 0.000 0.885 36 G HN 0.498 8.788 8.290 -0.000 0.000 0.477 37 R N 2.279 122.801 120.500 0.037 0.000 2.435 37 R HA 0.437 4.766 4.340 -0.019 0.000 0.308 37 R C -2.453 173.869 176.300 0.037 0.000 0.975 37 R CA -2.337 53.784 56.100 0.035 0.000 0.867 37 R CB 1.887 32.188 30.300 0.001 0.000 1.171 37 R HN 0.344 8.614 8.270 -0.000 0.000 0.470 38 P HA -0.018 4.402 4.420 -0.000 0.000 0.262 38 P C -0.237 177.050 177.300 -0.022 0.000 1.199 38 P CA 0.124 63.255 63.100 0.051 0.000 0.763 38 P CB 0.775 32.538 31.700 0.105 0.000 0.790 39 R N 2.028 122.485 120.500 -0.073 0.000 2.241 39 R HA -0.069 4.260 4.340 -0.019 0.000 0.224 39 R C 0.241 176.232 176.300 -0.515 0.000 1.101 39 R CA 1.054 56.994 56.100 -0.266 0.000 0.995 39 R CB -0.368 29.739 30.300 -0.321 0.000 0.870 39 R HN 0.713 8.983 8.270 -0.000 0.000 0.463 40 H N -1.134 117.946 119.070 0.017 0.000 2.928 40 H HA 0.237 4.782 4.556 -0.018 0.000 0.371 40 H C -0.648 174.692 175.328 0.019 0.000 1.186 40 H CA -0.889 55.168 56.048 0.015 0.000 1.134 40 H CB 1.190 30.959 29.762 0.010 0.000 1.824 40 H HN -0.242 8.038 8.280 -0.000 0.000 0.554 41 Q N 1.117 121.003 119.800 0.143 0.000 2.261 41 Q HA 0.586 4.915 4.340 -0.019 0.000 0.252 41 Q C 0.276 176.323 176.000 0.078 0.000 0.915 41 Q CA -0.095 55.760 55.803 0.086 0.000 0.915 41 Q CB 1.700 30.473 28.738 0.057 0.000 1.204 41 Q HN 0.975 9.245 8.270 -0.000 0.000 0.421 42 G N -0.264 108.574 108.800 0.064 0.000 2.324 42 G HA2 0.401 4.349 3.960 -0.019 0.000 0.293 42 G HA3 0.401 4.349 3.960 -0.019 0.000 0.293 42 G C -1.406 173.528 174.900 0.055 0.000 1.297 42 G CA -0.124 45.007 45.100 0.051 0.000 0.853 42 G HN 0.651 8.941 8.290 -0.000 0.000 0.535 43 V N -2.789 117.153 119.914 0.047 0.000 3.130 43 V HA 0.901 5.010 4.120 -0.019 0.000 0.310 43 V C 0.017 176.140 176.094 0.049 0.000 1.158 43 V CA -1.355 60.976 62.300 0.053 0.000 1.029 43 V CB 2.005 33.851 31.823 0.038 0.000 1.057 43 V HN 0.911 9.101 8.190 -0.000 0.000 0.436 44 M N 1.471 121.108 119.600 0.061 0.000 2.291 44 M HA 0.459 4.928 4.480 -0.019 0.000 0.324 44 M C -0.040 176.281 176.300 0.035 0.000 1.148 44 M CA -0.655 54.674 55.300 0.047 0.000 1.104 44 M CB 1.332 33.968 32.600 0.060 0.000 1.483 44 M HN 0.580 8.870 8.290 -0.000 0.000 0.467 45 V N 2.507 122.436 119.914 0.025 0.000 2.434 45 V HA 0.258 4.366 4.120 -0.019 0.000 0.281 45 V C 1.294 177.401 176.094 0.021 0.000 1.005 45 V CA 1.684 63.996 62.300 0.020 0.000 1.089 45 V CB -0.346 31.486 31.823 0.014 0.000 0.978 45 V HN 1.179 9.369 8.190 -0.000 0.000 0.474 46 G N 4.471 113.283 108.800 0.020 0.000 2.234 46 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.235 46 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.235 46 G C -0.119 174.793 174.900 0.020 0.000 0.997 46 G CA 0.207 45.318 45.100 0.018 0.000 0.623 46 G HN 0.531 8.821 8.290 -0.000 0.000 0.514 47 M N 0.998 120.614 119.600 0.027 0.000 2.494 47 M HA 0.682 5.151 4.480 -0.019 0.000 0.300 47 M C 1.099 177.412 176.300 0.021 0.000 1.189 47 M CA 0.496 55.812 55.300 0.028 0.000 0.982 47 M CB 1.426 34.053 32.600 0.045 0.000 1.534 47 M HN 0.382 8.672 8.290 -0.000 0.000 0.488 48 G N -0.097 108.709 108.800 0.011 0.000 2.522 48 G HA2 0.320 4.268 3.960 -0.019 0.000 0.304 48 G HA3 0.320 4.268 3.960 -0.019 0.000 0.304 48 G C -0.814 174.088 174.900 0.004 0.000 1.210 48 G CA -0.608 44.494 45.100 0.004 0.000 0.960 48 G HN 0.546 8.836 8.290 -0.000 0.000 0.497 49 Q N 0.208 120.009 119.800 0.001 0.000 2.286 49 Q HA 0.071 4.400 4.340 -0.019 0.000 0.290 49 Q C -0.226 175.752 176.000 -0.037 0.000 1.049 49 Q CA 0.814 56.617 55.803 -0.001 0.000 0.923 49 Q CB 0.866 29.605 28.738 0.000 0.000 1.183 49 Q HN 0.269 8.539 8.270 -0.000 0.000 0.383 50 K N 2.703 123.071 120.400 -0.054 0.000 2.345 50 K HA 0.089 4.398 4.320 -0.019 0.000 0.255 50 K C 0.435 176.960 176.600 -0.125 0.000 0.934 50 K CA -0.320 55.867 56.287 -0.167 0.000 0.801 50 K CB 1.309 33.586 32.500 -0.372 0.000 1.137 50 K HN 0.614 8.864 8.250 -0.000 0.000 0.424 51 D N 0.410 120.727 120.400 -0.138 0.000 2.289 51 D HA -0.045 4.584 4.640 -0.019 0.000 0.207 51 D C 0.272 176.520 176.300 -0.086 0.000 0.966 51 D CA 0.348 54.297 54.000 -0.085 0.000 0.868 51 D CB 0.638 41.394 40.800 -0.074 0.000 0.943 51 D HN 0.185 8.555 8.370 -0.000 0.000 0.514 52 S N -1.771 113.819 115.700 -0.184 0.000 2.565 52 S HA 0.534 4.993 4.470 -0.019 0.000 0.269 52 S C -2.244 172.198 174.600 -0.264 0.000 1.153 52 S CA -0.729 57.394 58.200 -0.129 0.000 0.835 52 S CB 1.076 64.214 63.200 -0.103 0.000 1.122 52 S HN 0.112 8.422 8.310 -0.000 0.000 0.462 53 Y N 0.494 120.751 120.300 -0.071 0.000 2.524 53 Y HA 0.724 5.263 4.550 -0.019 0.000 0.347 53 Y C -0.551 175.264 175.900 -0.143 0.000 1.005 53 Y CA -0.553 57.492 58.100 -0.092 0.000 1.025 53 Y CB 2.163 40.579 38.460 -0.074 0.000 1.275 53 Y HN 0.506 8.786 8.280 -0.000 0.000 0.460 54 V N 1.875 121.754 119.914 -0.058 0.000 2.841 54 V HA 0.796 4.905 4.120 -0.019 0.000 0.310 54 V C 0.316 176.244 176.094 -0.278 0.000 1.090 54 V CA -0.254 61.913 62.300 -0.222 0.000 0.930 54 V CB 1.317 32.912 31.823 -0.380 0.000 1.014 54 V HN 1.105 9.295 8.190 -0.000 0.000 0.425 55 G N 3.946 112.680 108.800 -0.110 0.000 2.531 55 G HA2 -0.291 3.658 3.960 -0.019 0.000 0.274 55 G HA3 -0.291 3.658 3.960 -0.019 0.000 0.274 55 G C 0.366 175.261 174.900 -0.008 0.000 1.159 55 G CA 0.948 46.075 45.100 0.045 0.000 0.969 55 G HN 0.754 9.044 8.290 -0.000 0.000 0.554 56 D N 0.580 120.980 120.400 -0.000 0.000 2.149 56 D HA 0.111 4.740 4.640 -0.019 0.000 0.201 56 D C 2.195 178.475 176.300 -0.033 0.000 0.972 56 D CA 1.312 55.309 54.000 -0.005 0.000 0.835 56 D CB -0.028 40.777 40.800 0.008 0.000 0.966 56 D HN 0.523 8.893 8.370 -0.000 0.000 0.476 57 E N 0.160 120.345 120.200 -0.025 0.000 2.204 57 E HA -0.138 4.200 4.350 -0.019 0.000 0.195 57 E C 1.980 178.492 176.600 -0.148 0.000 0.990 57 E CA 0.644 57.020 56.400 -0.040 0.000 0.821 57 E CB 0.011 29.783 29.700 0.119 0.000 0.750 57 E HN 0.287 8.647 8.360 -0.000 0.000 0.477 58 A N 0.599 123.369 122.820 -0.085 0.000 1.970 58 A HA -0.170 4.139 4.320 -0.019 0.000 0.216 58 A C 2.046 179.558 177.584 -0.120 0.000 1.170 58 A CA 1.047 53.017 52.037 -0.112 0.000 0.645 58 A CB -0.160 18.799 19.000 -0.068 0.000 0.816 58 A HN 0.071 8.221 8.150 -0.000 0.000 0.447 59 Q N 0.788 120.534 119.800 -0.089 0.000 2.049 59 Q HA -0.116 4.212 4.340 -0.019 0.000 0.198 59 Q C 2.336 178.294 176.000 -0.070 0.000 0.971 59 Q CA 2.429 58.192 55.803 -0.067 0.000 0.833 59 Q CB -0.481 28.233 28.738 -0.039 0.000 0.896 59 Q HN 0.706 8.976 8.270 -0.000 0.000 0.434 60 S N -0.348 115.306 115.700 -0.078 0.000 2.399 60 S HA -0.123 4.336 4.470 -0.019 0.000 0.231 60 S C 1.259 175.796 174.600 -0.106 0.000 1.022 60 S CA 1.156 59.310 58.200 -0.076 0.000 0.983 60 S CB -0.202 62.957 63.200 -0.068 0.000 0.803 60 S HN 0.319 8.629 8.310 -0.000 0.000 0.480 61 K N 1.247 121.544 120.400 -0.172 0.000 2.570 61 K HA 0.233 4.542 4.320 -0.019 0.000 0.210 61 K C 1.683 178.191 176.600 -0.154 0.000 1.048 61 K CA -0.248 55.917 56.287 -0.204 0.000 1.167 61 K CB 0.229 32.489 32.500 -0.399 0.000 0.892 61 K HN 0.538 8.788 8.250 -0.000 0.000 0.480 62 R N -0.336 120.104 120.500 -0.099 0.000 2.152 62 R HA -0.069 4.260 4.340 -0.019 0.000 0.232 62 R C 1.800 178.077 176.300 -0.039 0.000 1.117 62 R CA 1.490 57.550 56.100 -0.067 0.000 0.981 62 R CB -0.608 29.667 30.300 -0.041 0.000 0.870 62 R HN 0.131 8.401 8.270 -0.000 0.000 0.451 63 G N 2.456 111.237 108.800 -0.032 0.000 2.448 63 G HA2 -0.175 3.774 3.960 -0.019 0.000 0.219 63 G HA3 -0.175 3.774 3.960 -0.019 0.000 0.219 63 G C 1.472 176.378 174.900 0.010 0.000 1.127 63 G CA 0.924 46.019 45.100 -0.008 0.000 0.766 63 G HN 0.563 8.853 8.290 -0.000 0.000 0.552 64 I N -2.181 118.389 120.570 -0.001 0.000 3.976 64 I HA 0.490 4.649 4.170 -0.019 0.000 0.337 64 I C -0.148 175.986 176.117 0.029 0.000 1.359 64 I CA -0.387 60.942 61.300 0.050 0.000 1.098 64 I CB 0.179 38.211 38.000 0.052 0.000 1.027 64 I HN -0.144 8.066 8.210 -0.000 0.000 0.394 65 L N 0.586 121.804 121.223 -0.008 0.000 2.309 65 L HA 0.643 4.972 4.340 -0.019 0.000 0.261 65 L C -0.282 176.579 176.870 -0.015 0.000 1.021 65 L CA -0.849 53.985 54.840 -0.010 0.000 0.823 65 L CB 2.031 44.078 42.059 -0.020 0.000 1.366 65 L HN 0.034 8.264 8.230 -0.000 0.000 0.423 66 T N -0.164 114.382 114.554 -0.014 0.000 2.756 66 T HA 0.560 4.899 4.350 -0.019 0.000 0.290 66 T C -0.229 174.463 174.700 -0.014 0.000 0.985 66 T CA -0.633 61.460 62.100 -0.013 0.000 0.955 66 T CB 0.685 69.543 68.868 -0.018 0.000 0.930 66 T HN 0.284 8.524 8.240 -0.000 0.000 0.451 67 L N 3.236 124.451 121.223 -0.012 0.000 2.349 67 L HA 0.481 4.810 4.340 -0.019 0.000 0.275 67 L C 0.437 177.300 176.870 -0.013 0.000 1.115 67 L CA -0.327 54.492 54.840 -0.035 0.000 0.820 67 L CB 0.850 42.890 42.059 -0.032 0.000 1.135 67 L HN 0.654 8.884 8.230 -0.000 0.000 0.445 68 K N 2.965 123.325 120.400 -0.067 0.000 2.501 68 K HA 0.381 4.690 4.320 -0.019 0.000 0.252 68 K C -1.611 174.935 176.600 -0.090 0.000 0.934 68 K CA -0.652 55.627 56.287 -0.013 0.000 0.797 68 K CB 2.254 34.741 32.500 -0.022 0.000 1.270 68 K HN 0.218 8.468 8.250 -0.000 0.000 0.431 69 Y N 2.227 122.473 120.300 -0.091 0.000 2.518 69 Y HA 0.173 4.713 4.550 -0.016 0.000 0.344 69 Y C -1.666 174.146 175.900 -0.147 0.000 0.982 69 Y CA -1.911 56.119 58.100 -0.117 0.000 1.234 69 Y CB 0.928 39.317 38.460 -0.118 0.000 1.114 69 Y HN 0.540 8.820 8.280 -0.000 0.000 0.515 70 P HA -0.109 4.311 4.420 -0.000 0.000 0.221 70 P C -0.230 176.949 177.300 -0.202 0.000 1.145 70 P CA 1.435 64.430 63.100 -0.176 0.000 0.795 70 P CB 0.414 31.957 31.700 -0.261 0.000 0.775 71 I N 0.200 120.689 120.570 -0.135 0.000 2.405 71 I HA 0.165 4.324 4.170 -0.019 0.000 0.280 71 I C 0.255 176.307 176.117 -0.108 0.000 1.027 71 I CA -0.568 60.649 61.300 -0.138 0.000 1.161 71 I CB 1.246 39.169 38.000 -0.129 0.000 1.300 71 I HN -0.213 7.997 8.210 -0.000 0.000 0.463 72 E N 6.025 126.151 120.200 -0.123 0.000 2.081 72 E HA 0.184 4.523 4.350 -0.019 0.000 0.281 72 E C -0.401 176.132 176.600 -0.111 0.000 0.986 72 E CA -0.402 55.886 56.400 -0.187 0.000 0.796 72 E CB 0.531 30.145 29.700 -0.144 0.000 1.085 72 E HN 0.466 8.826 8.360 -0.000 0.000 0.398 73 H N 2.232 121.272 119.070 -0.050 0.000 2.826 73 H HA -0.219 4.335 4.556 -0.003 0.000 0.306 73 H C 1.080 176.410 175.328 0.002 0.000 1.235 73 H CA 1.100 57.127 56.048 -0.036 0.000 1.150 73 H CB -1.418 28.318 29.762 -0.043 0.000 1.409 73 H HN 1.000 9.280 8.280 -0.000 0.000 0.420 74 G N -1.160 107.683 108.800 0.072 0.000 2.253 74 G HA2 -0.313 3.635 3.960 -0.019 0.000 0.251 74 G HA3 -0.313 3.635 3.960 -0.019 0.000 0.251 74 G C 0.276 175.201 174.900 0.042 0.000 0.998 74 G CA 0.276 45.420 45.100 0.072 0.000 0.621 74 G HN 0.392 8.682 8.290 -0.000 0.000 0.524 75 I N 1.627 122.216 120.570 0.032 0.000 2.385 75 I HA 0.441 4.599 4.170 -0.019 0.000 0.294 75 I C 0.980 177.039 176.117 -0.097 0.000 0.988 75 I CA -1.599 59.704 61.300 0.005 0.000 1.265 75 I CB 1.259 39.286 38.000 0.046 0.000 1.388 75 I HN 0.048 8.258 8.210 -0.000 0.000 0.480 76 I N 5.630 126.078 120.570 -0.204 0.000 2.436 76 I HA 0.025 4.183 4.170 -0.019 0.000 0.289 76 I C 1.313 177.140 176.117 -0.483 0.000 1.083 76 I CA 0.407 61.412 61.300 -0.491 0.000 1.372 76 I CB 0.528 37.945 38.000 -0.972 0.000 1.408 76 I HN 0.621 8.831 8.210 -0.000 0.000 0.516 77 T N 3.558 117.892 114.554 -0.366 0.000 3.039 77 T HA 0.039 4.378 4.350 -0.019 0.000 0.250 77 T C 0.602 175.148 174.700 -0.256 0.000 1.052 77 T CA 0.505 62.472 62.100 -0.223 0.000 1.125 77 T CB -0.065 68.728 68.868 -0.125 0.000 0.908 77 T HN 0.452 8.692 8.240 -0.000 0.000 0.473 78 N N -0.157 118.340 118.700 -0.338 0.000 2.483 78 N HA 0.229 4.957 4.740 -0.019 0.000 0.267 78 N C -0.593 174.737 175.510 -0.300 0.000 0.998 78 N CA -0.697 52.220 53.050 -0.221 0.000 0.918 78 N CB 0.739 39.158 38.487 -0.112 0.000 1.215 78 N HN 0.124 8.504 8.380 -0.000 0.000 0.500 79 W N 1.352 122.646 121.300 -0.010 0.000 2.584 79 W HA 0.033 4.681 4.660 -0.021 0.000 0.264 79 W C 1.977 178.501 176.519 0.008 0.000 1.264 79 W CA 0.112 57.459 57.345 0.004 0.000 1.306 79 W CB 0.230 29.723 29.460 0.054 0.000 1.110 79 W HN 0.621 8.801 8.180 -0.000 0.000 0.606 80 D N 0.621 121.115 120.400 0.157 0.000 2.091 80 D HA -0.181 4.448 4.640 -0.019 0.000 0.199 80 D C 1.076 177.399 176.300 0.038 0.000 0.980 80 D CA 1.532 55.593 54.000 0.101 0.000 0.831 80 D CB -0.208 40.636 40.800 0.073 0.000 0.987 80 D HN -0.006 8.364 8.370 -0.000 0.000 0.460 81 D N -0.011 120.376 120.400 -0.023 0.000 2.264 81 D HA -0.105 4.523 4.640 -0.019 0.000 0.208 81 D C 1.895 178.104 176.300 -0.153 0.000 0.966 81 D CA 0.486 54.440 54.000 -0.077 0.000 0.864 81 D CB -0.178 40.562 40.800 -0.100 0.000 0.933 81 D HN 0.274 8.644 8.370 -0.000 0.000 0.499 82 M N 0.470 119.930 119.600 -0.234 0.000 2.160 82 M HA -0.047 4.422 4.480 -0.019 0.000 0.264 82 M C 1.878 177.929 176.300 -0.415 0.000 1.073 82 M CA 1.322 56.321 55.300 -0.502 0.000 1.142 82 M CB -0.147 32.028 32.600 -0.708 0.000 1.358 82 M HN -0.101 8.189 8.290 -0.000 0.000 0.422 83 E N -0.234 119.968 120.200 0.004 0.000 2.160 83 E HA -0.258 4.081 4.350 -0.019 0.000 0.195 83 E C 1.852 178.691 176.600 0.400 0.000 0.991 83 E CA 1.349 58.007 56.400 0.430 0.000 0.810 83 E CB -0.013 29.923 29.700 0.393 0.000 0.742 83 E HN 0.505 8.865 8.360 -0.000 0.000 0.466 84 K N 0.199 120.698 120.400 0.166 0.000 2.026 84 K HA -0.119 4.189 4.320 -0.019 0.000 0.208 84 K C 2.208 178.903 176.600 0.158 0.000 1.048 84 K CA 1.605 57.977 56.287 0.142 0.000 0.929 84 K CB -0.124 32.390 32.500 0.024 0.000 0.713 84 K HN 0.235 8.485 8.250 -0.000 0.000 0.439 85 I N -0.304 120.264 120.570 -0.004 0.000 2.286 85 I HA -0.286 3.873 4.170 -0.019 0.000 0.248 85 I C 2.081 178.250 176.117 0.086 0.000 1.115 85 I CA 0.951 62.257 61.300 0.010 0.000 1.392 85 I CB -0.321 37.563 38.000 -0.193 0.000 1.065 85 I HN 0.344 8.554 8.210 -0.000 0.000 0.418 86 W N 0.846 122.156 121.300 0.017 0.000 2.355 86 W HA -0.205 4.443 4.660 -0.020 0.000 0.309 86 W C 2.680 178.953 176.519 -0.411 0.000 1.206 86 W CA 1.627 58.764 57.345 -0.346 0.000 1.284 86 W CB -1.381 27.865 29.460 -0.357 0.000 1.145 86 W HN 0.320 8.500 8.180 -0.000 0.000 0.502 87 H N -1.403 117.869 119.070 0.338 0.000 2.319 87 H HA -0.265 4.279 4.556 -0.019 0.000 0.297 87 H C 2.304 177.855 175.328 0.371 0.000 1.097 87 H CA 2.697 59.061 56.048 0.526 0.000 1.285 87 H CB -0.446 29.671 29.762 0.592 0.000 1.368 87 H HN 0.060 8.340 8.280 -0.000 0.000 0.495 88 H N -0.639 118.656 119.070 0.375 0.000 2.352 88 H HA -0.118 4.426 4.556 -0.019 0.000 0.299 88 H C 2.047 177.419 175.328 0.073 0.000 1.097 88 H CA 2.338 58.514 56.048 0.214 0.000 1.311 88 H CB -0.289 29.549 29.762 0.128 0.000 1.377 88 H HN 0.415 8.695 8.280 -0.000 0.000 0.504 89 T N 0.075 114.645 114.554 0.027 0.000 2.737 89 T HA -0.123 4.216 4.350 -0.019 0.000 0.265 89 T C 1.656 176.246 174.700 -0.183 0.000 1.038 89 T CA 1.480 63.544 62.100 -0.061 0.000 1.144 89 T CB -0.463 68.352 68.868 -0.089 0.000 0.866 89 T HN 0.172 8.412 8.240 -0.000 0.000 0.434 90 F N 0.467 120.303 119.950 -0.189 0.000 2.060 90 F HA 0.087 4.603 4.527 -0.018 0.000 0.295 90 F C 2.245 177.838 175.800 -0.345 0.000 1.120 90 F CA 0.395 58.158 58.000 -0.395 0.000 1.205 90 F CB -1.267 37.301 39.000 -0.720 0.000 0.986 90 F HN 0.134 8.434 8.300 -0.000 0.000 0.470 91 Y N -0.099 120.228 120.300 0.045 0.000 2.337 91 Y HA -0.049 4.490 4.550 -0.019 0.000 0.293 91 Y C 1.829 177.695 175.900 -0.056 0.000 1.123 91 Y CA 1.261 59.352 58.100 -0.015 0.000 1.201 91 Y CB -0.870 37.558 38.460 -0.054 0.000 1.011 91 Y HN 0.144 8.424 8.280 -0.000 0.000 0.545 92 N N -1.272 117.419 118.700 -0.015 0.000 2.571 92 N HA -0.050 4.679 4.740 -0.019 0.000 0.195 92 N C 1.516 176.892 175.510 -0.222 0.000 1.040 92 N CA 0.407 53.366 53.050 -0.152 0.000 0.890 92 N CB 0.079 38.368 38.487 -0.330 0.000 1.233 92 N HN 0.012 8.392 8.380 -0.000 0.000 0.435 93 E N 1.258 121.243 120.200 -0.358 0.000 2.015 93 E HA -0.013 4.326 4.350 -0.019 0.000 0.191 93 E C 1.800 178.341 176.600 -0.099 0.000 0.991 93 E CA 0.930 57.173 56.400 -0.262 0.000 0.802 93 E CB -0.083 29.431 29.700 -0.309 0.000 0.759 93 E HN 0.366 8.726 8.360 -0.000 0.000 0.447 94 L N -0.278 120.907 121.223 -0.063 0.000 2.529 94 L HA 0.190 4.518 4.340 -0.019 0.000 0.223 94 L C 0.557 177.472 176.870 0.075 0.000 1.113 94 L CA -0.001 54.848 54.840 0.015 0.000 0.861 94 L CB -0.014 41.986 42.059 -0.098 0.000 1.012 94 L HN 0.059 8.289 8.230 -0.000 0.000 0.461 95 R N -0.071 120.447 120.500 0.030 0.000 3.758 95 R HA -0.152 4.177 4.340 -0.019 0.000 0.299 95 R C -0.031 176.309 176.300 0.068 0.000 1.182 95 R CA 0.679 56.816 56.100 0.061 0.000 0.809 95 R CB -2.298 28.037 30.300 0.058 0.000 1.249 95 R HN 0.358 8.628 8.270 -0.000 0.000 0.497 96 V N -2.989 116.932 119.914 0.011 0.000 2.973 96 V HA 0.843 4.952 4.120 -0.019 0.000 0.314 96 V C 0.654 176.693 176.094 -0.091 0.000 1.066 96 V CA -0.509 61.772 62.300 -0.031 0.000 1.021 96 V CB 1.888 33.582 31.823 -0.215 0.000 1.076 96 V HN 0.179 8.369 8.190 -0.000 0.000 0.462 97 A N 3.302 126.118 122.820 -0.007 0.000 2.289 97 A HA 0.689 4.998 4.320 -0.019 0.000 0.298 97 A C -1.080 176.414 177.584 -0.149 0.000 1.208 97 A CA -1.577 50.436 52.037 -0.040 0.000 0.845 97 A CB 0.603 19.649 19.000 0.077 0.000 1.125 97 A HN 0.817 8.967 8.150 -0.000 0.000 0.517 98 P HA -0.161 4.259 4.420 -0.000 0.000 0.221 98 P C 0.691 177.838 177.300 -0.255 0.000 1.150 98 P CA 1.044 63.789 63.100 -0.592 0.000 0.800 98 P CB 0.202 31.166 31.700 -1.226 0.000 0.787 99 E N 1.064 121.194 120.200 -0.117 0.000 2.515 99 E HA -0.142 4.197 4.350 -0.019 0.000 0.201 99 E C 1.075 177.640 176.600 -0.057 0.000 1.071 99 E CA 0.715 57.085 56.400 -0.051 0.000 0.880 99 E CB -0.571 29.132 29.700 0.005 0.000 0.828 99 E HN 0.508 8.868 8.360 -0.000 0.000 0.540 100 E N 0.721 120.876 120.200 -0.074 0.000 2.812 100 E HA 0.063 4.401 4.350 -0.019 0.000 0.211 100 E C -0.535 175.853 176.600 -0.353 0.000 0.986 100 E CA -0.389 55.906 56.400 -0.175 0.000 1.119 100 E CB -0.122 29.469 29.700 -0.183 0.000 1.046 100 E HN 0.199 8.559 8.360 -0.000 0.000 0.474 101 H N 1.499 120.466 119.070 -0.172 0.000 2.609 101 H HA 0.407 4.952 4.556 -0.019 0.000 0.344 101 H C -2.580 172.599 175.328 -0.249 0.000 1.040 101 H CA -1.718 54.224 56.048 -0.177 0.000 1.216 101 H CB 2.312 31.982 29.762 -0.155 0.000 1.529 101 H HN 0.035 8.315 8.280 -0.000 0.000 0.519 102 P HA 0.070 4.490 4.420 -0.000 0.000 0.271 102 P C -0.482 176.669 177.300 -0.249 0.000 1.216 102 P CA -0.099 62.706 63.100 -0.491 0.000 0.776 102 P CB 0.741 31.777 31.700 -1.107 0.000 0.881 103 T N 3.561 118.055 114.554 -0.099 0.000 2.833 103 T HA 0.415 4.753 4.350 -0.019 0.000 0.297 103 T C -0.385 174.492 174.700 0.295 0.000 1.015 103 T CA -0.436 61.699 62.100 0.058 0.000 0.963 103 T CB 0.218 69.040 68.868 -0.077 0.000 0.955 103 T HN 0.238 8.478 8.240 -0.000 0.000 0.449 104 L N 5.462 126.880 121.223 0.325 0.000 2.264 104 L HA 0.628 4.957 4.340 -0.019 0.000 0.289 104 L C -1.041 175.888 176.870 0.098 0.000 1.044 104 L CA -0.541 54.456 54.840 0.261 0.000 0.807 104 L CB 0.320 42.434 42.059 0.091 0.000 1.192 104 L HN 0.562 8.792 8.230 -0.000 0.000 0.425 105 L N 3.541 124.813 121.223 0.082 0.000 2.331 105 L HA 0.688 5.017 4.340 -0.019 0.000 0.268 105 L C 0.120 177.015 176.870 0.040 0.000 1.015 105 L CA -0.713 54.151 54.840 0.040 0.000 0.807 105 L CB 2.181 44.242 42.059 0.003 0.000 1.293 105 L HN 0.629 8.859 8.230 -0.000 0.000 0.451 106 T N -2.146 112.443 114.554 0.059 0.000 2.908 106 T HA 0.646 4.985 4.350 -0.019 0.000 0.290 106 T C -0.724 174.012 174.700 0.060 0.000 1.034 106 T CA -0.812 61.313 62.100 0.041 0.000 1.010 106 T CB 2.193 71.084 68.868 0.040 0.000 1.068 106 T HN 0.742 8.982 8.240 -0.000 0.000 0.481 107 E N 1.085 121.304 120.200 0.033 0.000 2.393 107 E HA 0.733 5.072 4.350 -0.019 0.000 0.265 107 E C -0.608 175.997 176.600 0.008 0.000 0.941 107 E CA -1.642 54.785 56.400 0.045 0.000 0.801 107 E CB 1.676 31.409 29.700 0.055 0.000 1.313 107 E HN 0.849 9.209 8.360 -0.000 0.000 0.435 108 A N 1.003 123.828 122.820 0.009 0.000 2.287 108 A HA 0.382 4.691 4.320 -0.019 0.000 0.273 108 A C -1.755 175.768 177.584 -0.102 0.000 1.091 108 A CA -1.356 50.655 52.037 -0.043 0.000 0.817 108 A CB -0.150 18.861 19.000 0.019 0.000 1.069 108 A HN 0.631 8.781 8.150 -0.000 0.000 0.492 109 P HA -0.171 4.249 4.420 -0.000 0.000 0.218 109 P C 0.222 177.451 177.300 -0.119 0.000 1.165 109 P CA 1.622 64.559 63.100 -0.273 0.000 0.922 109 P CB 0.030 31.354 31.700 -0.628 0.000 0.794 110 L N -2.417 118.781 121.223 -0.042 0.000 3.100 110 L HA 0.274 4.603 4.340 -0.019 0.000 0.259 110 L C 0.256 177.151 176.870 0.042 0.000 1.316 110 L CA -0.697 54.147 54.840 0.008 0.000 0.992 110 L CB -0.404 41.671 42.059 0.028 0.000 1.390 110 L HN -0.141 8.089 8.230 -0.000 0.000 0.550 111 N N 2.292 121.018 118.700 0.043 0.000 2.440 111 N HA 0.085 4.814 4.740 -0.019 0.000 0.265 111 N C -2.309 173.257 175.510 0.093 0.000 1.239 111 N CA -1.021 52.074 53.050 0.076 0.000 0.909 111 N CB 0.594 39.129 38.487 0.080 0.000 1.066 111 N HN 0.001 8.380 8.380 -0.000 0.000 0.474 112 P HA -0.009 4.411 4.420 -0.000 0.000 0.261 112 P C 0.418 177.759 177.300 0.069 0.000 1.183 112 P CA 0.100 63.251 63.100 0.085 0.000 0.761 112 P CB 0.467 32.221 31.700 0.090 0.000 0.785 113 K N 2.952 123.367 120.400 0.026 0.000 2.144 113 K HA -0.277 4.031 4.320 -0.019 0.000 0.209 113 K C 1.803 178.247 176.600 -0.260 0.000 1.047 113 K CA 2.070 58.264 56.287 -0.156 0.000 0.927 113 K CB -0.569 31.741 32.500 -0.316 0.000 0.716 113 K HN 0.496 8.746 8.250 -0.000 0.000 0.454 114 A N 1.560 124.308 122.820 -0.120 0.000 1.969 114 A HA -0.162 4.147 4.320 -0.019 0.000 0.218 114 A C 1.722 179.283 177.584 -0.038 0.000 1.169 114 A CA 1.592 53.576 52.037 -0.087 0.000 0.635 114 A CB -0.359 18.617 19.000 -0.039 0.000 0.810 114 A HN 0.257 8.407 8.150 -0.000 0.000 0.445 115 N N -0.447 118.300 118.700 0.079 0.000 2.171 115 N HA -0.092 4.637 4.740 -0.019 0.000 0.184 115 N C 1.804 177.432 175.510 0.197 0.000 1.021 115 N CA 1.333 54.523 53.050 0.234 0.000 0.854 115 N CB -0.400 38.330 38.487 0.404 0.000 0.994 115 N HN 0.556 8.936 8.380 -0.000 0.000 0.426 116 R N 1.214 121.805 120.500 0.151 0.000 2.081 116 R HA -0.055 4.274 4.340 -0.019 0.000 0.235 116 R C 1.453 177.818 176.300 0.108 0.000 1.131 116 R CA 1.308 57.500 56.100 0.154 0.000 0.960 116 R CB 0.011 30.430 30.300 0.199 0.000 0.856 116 R HN 0.364 8.634 8.270 -0.000 0.000 0.436 117 E N -0.046 120.182 120.200 0.047 0.000 2.106 117 E HA -0.217 4.121 4.350 -0.019 0.000 0.192 117 E C 1.876 178.467 176.600 -0.015 0.000 0.984 117 E CA 1.048 57.469 56.400 0.034 0.000 0.806 117 E CB 0.041 29.729 29.700 -0.020 0.000 0.750 117 E HN 0.076 8.436 8.360 -0.000 0.000 0.458 118 K N 1.604 121.930 120.400 -0.124 0.000 2.031 118 K HA -0.096 4.212 4.320 -0.019 0.000 0.205 118 K C 2.171 178.674 176.600 -0.162 0.000 1.049 118 K CA 1.374 57.474 56.287 -0.312 0.000 0.939 118 K CB -0.196 31.779 32.500 -0.875 0.000 0.717 118 K HN 0.165 8.415 8.250 -0.000 0.000 0.438 119 M N -1.287 118.354 119.600 0.068 0.000 2.460 119 M HA -0.037 4.431 4.480 -0.019 0.000 0.263 119 M C 1.019 177.335 176.300 0.026 0.000 1.071 119 M CA 1.660 57.121 55.300 0.268 0.000 1.096 119 M CB -0.473 32.410 32.600 0.471 0.000 1.408 119 M HN -0.111 8.179 8.290 -0.000 0.000 0.463 120 T N 0.670 115.215 114.554 -0.015 0.000 2.894 120 T HA -0.097 4.241 4.350 -0.019 0.000 0.258 120 T C 1.933 176.548 174.700 -0.142 0.000 1.043 120 T CA 1.300 63.332 62.100 -0.113 0.000 1.141 120 T CB -0.217 68.648 68.868 -0.005 0.000 0.873 120 T HN 0.452 8.692 8.240 -0.000 0.000 0.449 121 Q N 0.978 120.760 119.800 -0.029 0.000 2.077 121 Q HA -0.120 4.209 4.340 -0.019 0.000 0.206 121 Q C 2.203 178.228 176.000 0.040 0.000 0.989 121 Q CA 1.648 57.480 55.803 0.048 0.000 0.853 121 Q CB -0.439 28.336 28.738 0.062 0.000 0.907 121 Q HN 0.546 8.816 8.270 -0.000 0.000 0.418 122 I N 0.050 120.655 120.570 0.058 0.000 2.500 122 I HA -0.238 3.921 4.170 -0.019 0.000 0.252 122 I C 2.448 178.649 176.117 0.141 0.000 1.142 122 I CA 0.411 61.789 61.300 0.130 0.000 1.451 122 I CB -0.201 37.992 38.000 0.322 0.000 1.093 122 I HN 0.185 8.395 8.210 -0.000 0.000 0.430 123 M N -0.051 119.552 119.600 0.006 0.000 2.064 123 M HA -0.155 4.314 4.480 -0.019 0.000 0.260 123 M C 2.368 178.607 176.300 -0.103 0.000 1.073 123 M CA 2.095 57.349 55.300 -0.077 0.000 1.124 123 M CB -1.019 31.320 32.600 -0.435 0.000 1.326 123 M HN 0.116 8.406 8.290 -0.000 0.000 0.410 124 F N 0.593 120.478 119.950 -0.109 0.000 2.163 124 F HA -0.092 4.423 4.527 -0.019 0.000 0.297 124 F C 2.415 178.207 175.800 -0.013 0.000 1.094 124 F CA 1.130 59.052 58.000 -0.130 0.000 1.290 124 F CB -0.707 38.036 39.000 -0.429 0.000 1.017 124 F HN 0.296 8.596 8.300 -0.000 0.000 0.483 125 E N -1.037 119.274 120.200 0.186 0.000 2.250 125 E HA -0.067 4.272 4.350 -0.019 0.000 0.192 125 E C 1.939 178.583 176.600 0.072 0.000 0.986 125 E CA 1.451 57.949 56.400 0.163 0.000 0.849 125 E CB -0.066 29.739 29.700 0.176 0.000 0.797 125 E HN 0.428 8.788 8.360 -0.000 0.000 0.482 126 T N -2.460 112.088 114.554 -0.010 0.000 2.990 126 T HA 0.089 4.428 4.350 -0.019 0.000 0.249 126 T C 1.284 175.849 174.700 -0.224 0.000 1.039 126 T CA -0.109 61.903 62.100 -0.147 0.000 1.036 126 T CB -0.095 68.602 68.868 -0.285 0.000 0.994 126 T HN -0.049 8.191 8.240 -0.000 0.000 0.489 127 F N 1.847 121.857 119.950 0.099 0.000 2.717 127 F HA 0.399 4.915 4.527 -0.020 0.000 0.295 127 F C 1.084 176.868 175.800 -0.027 0.000 1.117 127 F CA -0.647 57.381 58.000 0.046 0.000 1.361 127 F CB -0.452 38.547 39.000 -0.002 0.000 1.112 127 F HN 0.200 8.500 8.300 -0.000 0.000 0.594 128 N N 0.848 119.647 118.700 0.166 0.000 2.738 128 N HA -0.180 4.549 4.740 -0.019 0.000 0.249 128 N C -0.636 174.924 175.510 0.083 0.000 1.047 128 N CA 0.579 53.712 53.050 0.138 0.000 0.707 128 N CB -1.437 37.115 38.487 0.109 0.000 0.937 128 N HN 0.109 8.489 8.380 -0.000 0.000 0.545 129 V N -2.040 117.892 119.914 0.031 0.000 2.881 129 V HA 0.423 4.531 4.120 -0.019 0.000 0.303 129 V C -0.489 175.644 176.094 0.065 0.000 1.070 129 V CA -0.609 61.647 62.300 -0.073 0.000 1.074 129 V CB 0.862 32.542 31.823 -0.238 0.000 1.012 129 V HN 0.131 8.321 8.190 -0.000 0.000 0.482 130 P HA 0.038 4.458 4.420 -0.000 0.000 0.215 130 P C 0.393 177.788 177.300 0.159 0.000 1.153 130 P CA 2.120 65.242 63.100 0.036 0.000 0.853 130 P CB 0.285 31.936 31.700 -0.082 0.000 0.788 131 A N -1.396 121.474 122.820 0.084 0.000 2.612 131 A HA 0.737 5.046 4.320 -0.019 0.000 0.293 131 A C -0.734 176.887 177.584 0.062 0.000 1.075 131 A CA -0.591 51.566 52.037 0.200 0.000 0.680 131 A CB 1.150 20.151 19.000 0.001 0.000 1.279 131 A HN 0.105 8.255 8.150 -0.000 0.000 0.411 132 M N -0.449 119.325 119.600 0.291 0.000 3.079 132 M HA 0.932 5.400 4.480 -0.019 0.000 0.277 132 M C -1.067 175.591 176.300 0.597 0.000 1.317 132 M CA -0.709 54.778 55.300 0.313 0.000 0.793 132 M CB 1.389 33.871 32.600 -0.196 0.000 1.690 132 M HN 1.186 9.476 8.290 -0.000 0.000 0.451 133 Y N -0.830 119.626 120.300 0.261 0.000 2.457 133 Y HA 0.648 5.188 4.550 -0.017 0.000 0.322 133 Y C -2.363 173.582 175.900 0.075 0.000 1.218 133 Y CA -1.094 57.096 58.100 0.150 0.000 1.116 133 Y CB 1.679 40.183 38.460 0.073 0.000 1.335 133 Y HN 0.717 8.997 8.280 -0.000 0.000 0.452 134 V N 5.705 125.376 119.914 -0.404 0.000 2.350 134 V HA 0.818 4.927 4.120 -0.019 0.000 0.285 134 V C 0.031 175.913 176.094 -0.353 0.000 1.014 134 V CA -0.208 61.953 62.300 -0.232 0.000 0.831 134 V CB 0.927 32.667 31.823 -0.138 0.000 1.000 134 V HN 0.901 9.091 8.190 -0.000 0.000 0.433 135 A N 5.770 128.524 122.820 -0.110 0.000 2.293 135 A HA 0.832 5.140 4.320 -0.019 0.000 0.302 135 A C -0.327 177.229 177.584 -0.045 0.000 1.119 135 A CA -0.548 51.462 52.037 -0.045 0.000 0.823 135 A CB 0.538 19.575 19.000 0.061 0.000 1.097 135 A HN 0.757 8.907 8.150 -0.000 0.000 0.491 136 I N 1.221 121.764 120.570 -0.046 0.000 2.472 136 I HA 0.061 4.219 4.170 -0.019 0.000 0.290 136 I C 1.432 177.524 176.117 -0.040 0.000 1.016 136 I CA 0.011 61.281 61.300 -0.051 0.000 1.348 136 I CB 1.321 39.279 38.000 -0.071 0.000 1.417 136 I HN 0.902 9.112 8.210 -0.000 0.000 0.521 137 Q N 4.207 123.982 119.800 -0.042 0.000 1.993 137 Q HA -0.219 4.110 4.340 -0.019 0.000 0.202 137 Q C 2.232 178.220 176.000 -0.020 0.000 0.984 137 Q CA 1.999 57.790 55.803 -0.020 0.000 0.837 137 Q CB -0.272 28.459 28.738 -0.013 0.000 0.902 137 Q HN 0.897 9.167 8.270 -0.000 0.000 0.423 138 A N 0.443 123.234 122.820 -0.048 0.000 1.997 138 A HA -0.196 4.113 4.320 -0.019 0.000 0.221 138 A C 2.331 179.905 177.584 -0.015 0.000 1.172 138 A CA 1.660 53.677 52.037 -0.034 0.000 0.645 138 A CB -0.834 18.128 19.000 -0.064 0.000 0.813 138 A HN 0.244 8.394 8.150 -0.000 0.000 0.454 139 V N -0.218 119.680 119.914 -0.025 0.000 2.427 139 V HA -0.224 3.884 4.120 -0.019 0.000 0.248 139 V C 2.473 178.589 176.094 0.037 0.000 1.051 139 V CA 1.869 64.165 62.300 -0.007 0.000 1.048 139 V CB -0.652 31.153 31.823 -0.031 0.000 0.666 139 V HN 0.591 8.781 8.190 -0.000 0.000 0.456 140 L N -0.687 120.556 121.223 0.034 0.000 2.156 140 L HA -0.080 4.249 4.340 -0.019 0.000 0.208 140 L C 2.594 179.517 176.870 0.088 0.000 1.095 140 L CA 1.094 55.979 54.840 0.075 0.000 0.770 140 L CB -0.561 41.514 42.059 0.026 0.000 0.914 140 L HN 0.251 8.481 8.230 -0.000 0.000 0.439 141 S N 0.204 115.937 115.700 0.054 0.000 2.368 141 S HA -0.163 4.296 4.470 -0.019 0.000 0.225 141 S C 1.890 176.514 174.600 0.039 0.000 1.030 141 S CA 1.188 59.414 58.200 0.044 0.000 0.999 141 S CB -0.239 62.980 63.200 0.031 0.000 0.844 141 S HN 0.217 8.527 8.310 -0.000 0.000 0.459 142 L N 0.543 121.795 121.223 0.049 0.000 2.012 142 L HA -0.108 4.221 4.340 -0.019 0.000 0.210 142 L C 2.073 178.977 176.870 0.057 0.000 1.073 142 L CA 1.789 56.656 54.840 0.045 0.000 0.748 142 L CB -0.751 41.336 42.059 0.046 0.000 0.891 142 L HN 0.402 8.632 8.230 -0.000 0.000 0.431 143 Y N 0.024 120.304 120.300 -0.034 0.000 2.242 143 Y HA -0.145 4.393 4.550 -0.020 0.000 0.291 143 Y C 2.286 178.164 175.900 -0.037 0.000 1.137 143 Y CA 1.280 59.355 58.100 -0.040 0.000 1.181 143 Y CB -0.585 37.844 38.460 -0.052 0.000 0.989 143 Y HN 0.217 8.497 8.280 -0.000 0.000 0.527 144 A N -0.741 121.965 122.820 -0.191 0.000 2.125 144 A HA -0.108 4.200 4.320 -0.019 0.000 0.219 144 A C 2.120 179.606 177.584 -0.163 0.000 1.156 144 A CA 1.465 53.374 52.037 -0.213 0.000 0.671 144 A CB -1.027 17.939 19.000 -0.057 0.000 0.794 144 A HN 0.483 8.633 8.150 -0.000 0.000 0.459 145 S N -1.822 113.810 115.700 -0.114 0.000 2.622 145 S HA 0.423 4.882 4.470 -0.019 0.000 0.236 145 S C 1.333 175.875 174.600 -0.096 0.000 0.956 145 S CA 0.888 59.040 58.200 -0.079 0.000 0.971 145 S CB -0.543 62.636 63.200 -0.036 0.000 0.782 145 S HN 1.790 10.100 8.310 -0.000 0.000 0.468 146 G N 2.389 111.085 108.800 -0.174 0.000 2.498 146 G HA2 -0.353 3.596 3.960 -0.019 0.000 0.229 146 G HA3 -0.353 3.596 3.960 -0.019 0.000 0.229 146 G C 0.349 175.194 174.900 -0.091 0.000 1.156 146 G CA 0.174 45.178 45.100 -0.161 0.000 0.680 146 G HN 0.930 9.220 8.290 -0.000 0.000 0.512 147 R N 0.438 120.916 120.500 -0.036 0.000 2.574 147 R HA 0.666 4.995 4.340 -0.019 0.000 0.266 147 R C 1.115 177.449 176.300 0.056 0.000 1.157 147 R CA 0.600 56.704 56.100 0.006 0.000 1.187 147 R CB 0.345 30.641 30.300 -0.007 0.000 1.179 147 R HN 0.500 8.770 8.270 -0.000 0.000 0.600 148 T N -3.824 110.740 114.554 0.018 0.000 2.975 148 T HA 0.166 4.505 4.350 -0.019 0.000 0.261 148 T C 0.020 174.680 174.700 -0.066 0.000 0.984 148 T CA -0.193 61.907 62.100 0.000 0.000 0.911 148 T CB 0.396 69.251 68.868 -0.022 0.000 1.127 148 T HN 0.576 8.816 8.240 -0.000 0.000 0.514 149 T N 1.120 115.623 114.554 -0.085 0.000 2.886 149 T HA 0.750 5.089 4.350 -0.019 0.000 0.292 149 T C -0.141 174.540 174.700 -0.032 0.000 1.012 149 T CA -0.334 61.706 62.100 -0.100 0.000 0.982 149 T CB 1.833 70.579 68.868 -0.203 0.000 1.018 149 T HN 0.657 8.897 8.240 -0.000 0.000 0.451 150 G N 1.202 109.996 108.800 -0.009 0.000 2.315 150 G HA2 0.487 4.436 3.960 -0.019 0.000 0.294 150 G HA3 0.487 4.436 3.960 -0.019 0.000 0.294 150 G C -2.199 172.695 174.900 -0.010 0.000 1.300 150 G CA -0.765 44.335 45.100 -0.001 0.000 0.843 150 G HN 0.865 9.155 8.290 -0.000 0.000 0.527 151 I N 0.436 120.996 120.570 -0.017 0.000 2.466 151 I HA 0.653 4.812 4.170 -0.019 0.000 0.289 151 I C -0.830 175.280 176.117 -0.013 0.000 1.026 151 I CA -1.063 60.218 61.300 -0.031 0.000 1.078 151 I CB 1.790 39.754 38.000 -0.061 0.000 1.249 151 I HN 0.342 8.552 8.210 -0.000 0.000 0.429 152 V N 7.883 127.789 119.914 -0.013 0.000 2.407 152 V HA 0.271 4.380 4.120 -0.019 0.000 0.278 152 V C -0.112 175.989 176.094 0.011 0.000 1.037 152 V CA -0.581 61.719 62.300 0.001 0.000 0.900 152 V CB 1.488 33.310 31.823 -0.003 0.000 0.983 152 V HN 0.570 8.760 8.190 -0.000 0.000 0.459 153 L N 4.912 126.149 121.223 0.023 0.000 2.255 153 L HA 0.585 4.914 4.340 -0.019 0.000 0.289 153 L C -0.509 176.381 176.870 0.033 0.000 1.046 153 L CA 0.265 55.124 54.840 0.032 0.000 0.816 153 L CB 0.916 42.998 42.059 0.039 0.000 1.197 153 L HN 0.628 8.858 8.230 -0.000 0.000 0.427 154 D N 2.894 123.325 120.400 0.051 0.000 2.308 154 D HA 0.503 5.132 4.640 -0.019 0.000 0.242 154 D C -1.420 174.915 176.300 0.058 0.000 1.059 154 D CA 0.020 54.052 54.000 0.053 0.000 0.830 154 D CB 1.864 42.701 40.800 0.062 0.000 1.161 154 D HN 0.423 8.793 8.370 -0.000 0.000 0.494 155 S N 1.943 117.660 115.700 0.029 0.000 2.750 155 S HA 0.682 5.141 4.470 -0.019 0.000 0.276 155 S C 0.003 174.602 174.600 -0.001 0.000 1.165 155 S CA -0.384 57.823 58.200 0.011 0.000 1.047 155 S CB 0.736 63.932 63.200 -0.006 0.000 1.056 155 S HN 0.550 8.860 8.310 -0.000 0.000 0.481 156 G N 2.690 111.497 108.800 0.011 0.000 3.387 156 G HA2 0.263 4.212 3.960 -0.019 0.000 0.194 156 G HA3 0.263 4.212 3.960 -0.019 0.000 0.194 156 G C 0.249 175.149 174.900 0.001 0.000 1.417 156 G CA 0.122 45.223 45.100 0.002 0.000 0.777 156 G HN 0.587 8.877 8.290 -0.000 0.000 0.721 157 D N -1.396 119.008 120.400 0.006 0.000 2.338 157 D HA 0.161 4.789 4.640 -0.019 0.000 0.224 157 D C 2.204 178.499 176.300 -0.008 0.000 0.967 157 D CA 1.338 55.337 54.000 -0.002 0.000 0.896 157 D CB 0.160 40.961 40.800 0.001 0.000 1.028 157 D HN 0.363 8.733 8.370 -0.000 0.000 0.493 158 G N -0.506 108.297 108.800 0.004 0.000 2.743 158 G HA2 0.271 4.220 3.960 -0.019 0.000 0.206 158 G HA3 0.271 4.220 3.960 -0.019 0.000 0.206 158 G C 0.085 175.106 174.900 0.200 0.000 1.115 158 G CA 0.388 45.510 45.100 0.037 0.000 0.782 158 G HN 0.212 8.502 8.290 -0.000 0.000 0.524 159 V N -1.447 118.530 119.914 0.105 0.000 2.914 159 V HA 0.788 4.896 4.120 -0.019 0.000 0.314 159 V C -0.601 175.463 176.094 -0.051 0.000 1.084 159 V CA -0.819 61.479 62.300 -0.003 0.000 0.963 159 V CB 1.468 33.262 31.823 -0.048 0.000 1.025 159 V HN -0.076 8.114 8.190 -0.000 0.000 0.432 160 T N 1.489 115.944 114.554 -0.165 0.000 2.885 160 T HA 0.755 5.094 4.350 -0.019 0.000 0.285 160 T C -1.038 173.516 174.700 -0.243 0.000 1.019 160 T CA -0.242 61.783 62.100 -0.125 0.000 1.010 160 T CB 1.183 69.987 68.868 -0.107 0.000 1.022 160 T HN 0.948 9.188 8.240 -0.000 0.000 0.466 161 H N 0.671 119.720 119.070 -0.035 0.000 3.008 161 H HA 0.514 5.058 4.556 -0.019 0.000 0.354 161 H C -0.983 174.322 175.328 -0.038 0.000 1.252 161 H CA -0.891 55.134 56.048 -0.039 0.000 1.117 161 H CB 1.497 31.239 29.762 -0.033 0.000 1.857 161 H HN 0.481 8.761 8.280 -0.000 0.000 0.547 162 N N 0.589 119.361 118.700 0.121 0.000 2.448 162 N HA 0.443 5.172 4.740 -0.019 0.000 0.279 162 N C -1.690 173.820 175.510 -0.001 0.000 1.025 162 N CA -0.500 52.571 53.050 0.034 0.000 0.898 162 N CB 2.344 40.831 38.487 0.001 0.000 1.303 162 N HN 0.123 8.503 8.380 -0.000 0.000 0.495 163 V N 3.142 123.037 119.914 -0.033 0.000 2.357 163 V HA 0.459 4.568 4.120 -0.019 0.000 0.281 163 V C -2.363 173.680 176.094 -0.085 0.000 1.015 163 V CA -1.779 60.472 62.300 -0.083 0.000 0.827 163 V CB 1.466 33.222 31.823 -0.112 0.000 1.018 163 V HN 0.526 8.716 8.190 -0.000 0.000 0.432 164 P HA 0.425 4.845 4.420 -0.000 0.000 0.276 164 P C -0.661 176.588 177.300 -0.085 0.000 1.243 164 P CA 0.076 63.124 63.100 -0.086 0.000 0.768 164 P CB 0.678 32.316 31.700 -0.103 0.000 0.856 165 I N 3.896 124.445 120.570 -0.036 0.000 2.465 165 I HA 0.368 4.527 4.170 -0.019 0.000 0.291 165 I C -0.810 175.344 176.117 0.063 0.000 1.014 165 I CA -0.870 60.418 61.300 -0.020 0.000 1.093 165 I CB 1.624 39.604 38.000 -0.034 0.000 1.267 165 I HN 0.294 8.504 8.210 -0.000 0.000 0.431 166 Y N 5.552 125.860 120.300 0.015 0.000 2.326 166 Y HA 0.289 4.827 4.550 -0.020 0.000 0.331 166 Y C 0.360 176.313 175.900 0.088 0.000 0.962 166 Y CA -0.599 57.535 58.100 0.058 0.000 1.167 166 Y CB 0.900 39.410 38.460 0.083 0.000 1.148 166 Y HN 0.604 8.884 8.280 -0.000 0.000 0.463 167 E N 4.264 124.207 120.200 -0.429 0.000 2.450 167 E HA -0.286 4.052 4.350 -0.019 0.000 0.244 167 E C 1.127 177.715 176.600 -0.020 0.000 1.226 167 E CA 1.577 57.844 56.400 -0.222 0.000 0.720 167 E CB -1.387 28.178 29.700 -0.224 0.000 1.254 167 E HN 1.230 9.590 8.360 -0.000 0.000 0.399 168 G N -0.632 108.170 108.800 0.004 0.000 2.232 168 G HA2 -0.371 3.578 3.960 -0.019 0.000 0.226 168 G HA3 -0.371 3.578 3.960 -0.019 0.000 0.226 168 G C -0.125 174.832 174.900 0.095 0.000 0.996 168 G CA 0.097 45.216 45.100 0.032 0.000 0.626 168 G HN 0.361 8.651 8.290 -0.000 0.000 0.509 169 Y N 2.776 123.091 120.300 0.026 0.000 2.425 169 Y HA 0.677 5.218 4.550 -0.016 0.000 0.347 169 Y C 0.558 176.479 175.900 0.035 0.000 0.976 169 Y CA -0.739 57.381 58.100 0.035 0.000 1.190 169 Y CB 0.453 38.950 38.460 0.063 0.000 1.136 169 Y HN 0.681 8.961 8.280 -0.000 0.000 0.517 170 A N 7.033 129.615 122.820 -0.397 0.000 2.511 170 A HA 0.282 4.591 4.320 -0.019 0.000 0.242 170 A C -0.533 176.599 177.584 -0.753 0.000 1.069 170 A CA -0.347 51.438 52.037 -0.419 0.000 0.763 170 A CB -0.193 18.640 19.000 -0.279 0.000 1.001 170 A HN 0.906 9.056 8.150 -0.000 0.000 0.498 171 L N 5.906 126.821 121.223 -0.514 0.000 2.328 171 L HA 0.221 4.549 4.340 -0.019 0.000 0.280 171 L C -1.020 175.505 176.870 -0.575 0.000 1.111 171 L CA -1.540 52.974 54.840 -0.543 0.000 0.909 171 L CB 0.921 42.775 42.059 -0.341 0.000 1.277 171 L HN 0.656 8.886 8.230 -0.000 0.000 0.433 172 P HA -0.279 4.141 4.420 -0.000 0.000 0.219 172 P C 0.988 178.148 177.300 -0.233 0.000 1.158 172 P CA 1.807 64.775 63.100 -0.219 0.000 0.895 172 P CB -0.221 31.474 31.700 -0.009 0.000 0.792 173 H N -1.721 117.336 119.070 -0.022 0.000 2.553 173 H HA 0.465 5.008 4.556 -0.023 0.000 0.269 173 H C 1.195 176.508 175.328 -0.024 0.000 1.011 173 H CA 0.826 56.867 56.048 -0.012 0.000 1.150 173 H CB -0.412 29.350 29.762 0.000 0.000 1.339 173 H HN 0.185 8.465 8.280 -0.000 0.000 0.604 174 A N 0.976 123.546 122.820 -0.417 0.000 2.456 174 A HA 0.274 4.583 4.320 -0.019 0.000 0.237 174 A C 0.871 178.370 177.584 -0.142 0.000 1.217 174 A CA -0.484 51.428 52.037 -0.209 0.000 0.962 174 A CB 0.297 19.156 19.000 -0.235 0.000 1.079 174 A HN 0.179 8.329 8.150 -0.000 0.000 0.536 175 I N 2.338 122.819 120.570 -0.148 0.000 2.683 175 I HA 0.064 4.223 4.170 -0.019 0.000 0.286 175 I C -0.093 176.016 176.117 -0.012 0.000 1.175 175 I CA 0.773 62.029 61.300 -0.072 0.000 1.429 175 I CB 0.554 38.511 38.000 -0.073 0.000 1.371 175 I HN 0.259 8.469 8.210 -0.000 0.000 0.569 176 M N 7.006 126.621 119.600 0.024 0.000 2.464 176 M HA 0.475 4.943 4.480 -0.019 0.000 0.308 176 M C -0.588 175.721 176.300 0.015 0.000 1.127 176 M CA -0.586 54.718 55.300 0.007 0.000 0.913 176 M CB 2.249 34.835 32.600 -0.023 0.000 1.689 176 M HN 0.536 8.826 8.290 -0.000 0.000 0.445 177 R N 2.371 122.825 120.500 -0.076 0.000 2.534 177 R HA 0.730 5.058 4.340 -0.019 0.000 0.301 177 R C -2.106 174.051 176.300 -0.239 0.000 0.961 177 R CA -0.689 55.242 56.100 -0.282 0.000 0.871 177 R CB 1.671 31.809 30.300 -0.269 0.000 1.170 177 R HN 0.642 8.912 8.270 -0.000 0.000 0.446 178 L N 4.255 125.313 121.223 -0.276 0.000 2.372 178 L HA 0.386 4.714 4.340 -0.019 0.000 0.273 178 L C -1.192 175.532 176.870 -0.243 0.000 0.989 178 L CA -0.316 54.400 54.840 -0.208 0.000 0.841 178 L CB 1.744 43.710 42.059 -0.156 0.000 1.225 178 L HN 0.640 8.870 8.230 -0.000 0.000 0.414 179 D N 5.841 126.076 120.400 -0.274 0.000 2.767 179 D HA 0.292 4.921 4.640 -0.019 0.000 0.231 179 D C -0.686 175.512 176.300 -0.171 0.000 1.105 179 D CA 0.483 54.279 54.000 -0.339 0.000 1.024 179 D CB -0.404 40.057 40.800 -0.565 0.000 1.123 179 D HN 0.380 8.750 8.370 -0.000 0.000 0.470 180 L N -1.687 119.465 121.223 -0.117 0.000 2.528 180 L HA 0.865 5.194 4.340 -0.019 0.000 0.267 180 L C -0.939 175.897 176.870 -0.056 0.000 0.961 180 L CA -0.953 53.843 54.840 -0.073 0.000 0.866 180 L CB 1.573 43.573 42.059 -0.098 0.000 1.248 180 L HN -0.059 8.171 8.230 -0.000 0.000 0.404 181 A N 2.574 125.383 122.820 -0.018 0.000 3.005 181 A HA 0.828 5.137 4.320 -0.019 0.000 0.282 181 A C 0.979 178.578 177.584 0.024 0.000 1.218 181 A CA -0.126 51.910 52.037 -0.001 0.000 0.703 181 A CB 0.033 19.036 19.000 0.006 0.000 1.387 181 A HN 1.093 9.243 8.150 -0.000 0.000 0.592 182 G N -0.513 108.308 108.800 0.034 0.000 2.462 182 G HA2 -0.174 3.775 3.960 -0.019 0.000 0.220 182 G HA3 -0.174 3.775 3.960 -0.019 0.000 0.220 182 G C 1.438 176.362 174.900 0.039 0.000 1.121 182 G CA 1.365 46.500 45.100 0.057 0.000 0.758 182 G HN 0.713 9.003 8.290 -0.000 0.000 0.559 183 R N 0.417 120.921 120.500 0.007 0.000 2.062 183 R HA -0.062 4.267 4.340 -0.019 0.000 0.231 183 R C 2.200 178.497 176.300 -0.004 0.000 1.136 183 R CA 1.837 57.926 56.100 -0.018 0.000 0.948 183 R CB -0.335 29.925 30.300 -0.067 0.000 0.845 183 R HN 0.285 8.555 8.270 -0.000 0.000 0.430 184 D N 0.447 120.849 120.400 0.003 0.000 2.123 184 D HA -0.187 4.442 4.640 -0.019 0.000 0.196 184 D C 1.733 178.065 176.300 0.052 0.000 0.992 184 D CA 1.071 55.080 54.000 0.016 0.000 0.833 184 D CB -0.091 40.708 40.800 -0.001 0.000 0.954 184 D HN 0.128 8.498 8.370 -0.000 0.000 0.455 185 L N 0.319 121.578 121.223 0.060 0.000 2.201 185 L HA -0.084 4.244 4.340 -0.019 0.000 0.212 185 L C 2.265 179.203 176.870 0.113 0.000 1.105 185 L CA 1.539 56.443 54.840 0.106 0.000 0.775 185 L CB -0.768 41.366 42.059 0.124 0.000 0.913 185 L HN 0.053 8.283 8.230 -0.000 0.000 0.440 186 T N -1.410 113.181 114.554 0.062 0.000 2.942 186 T HA -0.097 4.241 4.350 -0.019 0.000 0.265 186 T C 1.293 175.985 174.700 -0.014 0.000 1.062 186 T CA 1.184 63.289 62.100 0.009 0.000 1.139 186 T CB -0.097 68.764 68.868 -0.011 0.000 0.883 186 T HN 0.253 8.493 8.240 -0.000 0.000 0.468 187 D N -0.027 120.385 120.400 0.020 0.000 2.277 187 D HA 0.020 4.648 4.640 -0.019 0.000 0.208 187 D C 1.437 177.767 176.300 0.049 0.000 0.962 187 D CA 0.427 54.435 54.000 0.013 0.000 0.865 187 D CB -0.170 40.642 40.800 0.019 0.000 0.939 187 D HN 0.410 8.780 8.370 -0.000 0.000 0.510 188 Y N 1.004 121.287 120.300 -0.028 0.000 2.286 188 Y HA -0.033 4.508 4.550 -0.014 0.000 0.293 188 Y C 1.911 177.793 175.900 -0.029 0.000 1.124 188 Y CA 0.664 58.755 58.100 -0.015 0.000 1.178 188 Y CB -0.325 38.138 38.460 0.005 0.000 1.010 188 Y HN -0.062 8.219 8.280 -0.000 0.000 0.536 189 L N 0.253 121.386 121.223 -0.149 0.000 2.042 189 L HA -0.185 4.144 4.340 -0.019 0.000 0.210 189 L C 2.322 179.035 176.870 -0.263 0.000 1.076 189 L CA 2.227 56.918 54.840 -0.248 0.000 0.749 189 L CB -1.076 40.897 42.059 -0.143 0.000 0.893 189 L HN 0.396 8.626 8.230 -0.000 0.000 0.432 190 M N 0.328 119.795 119.600 -0.221 0.000 2.151 190 M HA -0.299 4.170 4.480 -0.019 0.000 0.256 190 M C 2.203 178.445 176.300 -0.096 0.000 1.072 190 M CA 2.776 57.944 55.300 -0.220 0.000 1.090 190 M CB -0.494 32.017 32.600 -0.148 0.000 1.294 190 M HN 0.501 8.791 8.290 -0.000 0.000 0.415 191 K N 0.538 120.872 120.400 -0.110 0.000 2.001 191 K HA -0.093 4.216 4.320 -0.019 0.000 0.208 191 K C 1.672 178.187 176.600 -0.141 0.000 1.048 191 K CA 2.278 58.516 56.287 -0.082 0.000 0.932 191 K CB -1.612 30.843 32.500 -0.074 0.000 0.715 191 K HN 0.653 8.903 8.250 -0.000 0.000 0.437 192 I N -1.325 119.056 120.570 -0.315 0.000 2.850 192 I HA -0.054 4.105 4.170 -0.019 0.000 0.266 192 I C 1.655 177.711 176.117 -0.102 0.000 1.257 192 I CA 0.819 61.958 61.300 -0.269 0.000 1.465 192 I CB -0.227 37.514 38.000 -0.432 0.000 1.091 192 I HN 0.095 8.305 8.210 -0.000 0.000 0.467 193 L N 1.453 122.671 121.223 -0.008 0.000 2.357 193 L HA 0.026 4.354 4.340 -0.019 0.000 0.211 193 L C 2.639 179.765 176.870 0.426 0.000 1.075 193 L CA 2.026 56.998 54.840 0.221 0.000 0.830 193 L CB -0.518 41.625 42.059 0.141 0.000 0.996 193 L HN 0.453 8.683 8.230 -0.000 0.000 0.467 194 T N -3.644 111.108 114.554 0.330 0.000 2.904 194 T HA -0.187 4.152 4.350 -0.019 0.000 0.267 194 T C 1.706 176.438 174.700 0.054 0.000 1.059 194 T CA 1.275 63.515 62.100 0.234 0.000 1.137 194 T CB -0.380 68.594 68.868 0.177 0.000 0.879 194 T HN 0.418 8.658 8.240 -0.000 0.000 0.467 195 E N 0.625 120.835 120.200 0.016 0.000 2.204 195 E HA -0.107 4.232 4.350 -0.019 0.000 0.194 195 E C 2.316 178.866 176.600 -0.083 0.000 0.989 195 E CA 0.250 56.622 56.400 -0.047 0.000 0.824 195 E CB -0.047 29.614 29.700 -0.066 0.000 0.756 195 E HN 0.207 8.567 8.360 -0.000 0.000 0.477 196 R N 0.231 120.685 120.500 -0.076 0.000 2.339 196 R HA -0.041 4.288 4.340 -0.019 0.000 0.199 196 R C 0.211 176.279 176.300 -0.386 0.000 1.018 196 R CA 0.959 56.961 56.100 -0.164 0.000 1.036 196 R CB -0.240 30.033 30.300 -0.045 0.000 0.899 196 R HN 0.286 8.556 8.270 -0.000 0.000 0.473 197 G N 0.446 109.042 108.800 -0.340 0.000 2.683 197 G HA2 -0.228 3.721 3.960 -0.019 0.000 0.234 197 G HA3 -0.228 3.721 3.960 -0.019 0.000 0.234 197 G C -0.963 173.611 174.900 -0.543 0.000 1.135 197 G CA -0.354 44.520 45.100 -0.378 0.000 0.975 197 G HN 0.230 8.520 8.290 -0.000 0.000 0.511 198 Y N -0.809 119.423 120.300 -0.113 0.000 2.715 198 Y HA 0.837 5.376 4.550 -0.019 0.000 0.331 198 Y C 0.303 175.995 175.900 -0.346 0.000 1.197 198 Y CA -1.305 56.641 58.100 -0.257 0.000 1.079 198 Y CB 1.957 40.206 38.460 -0.353 0.000 1.298 198 Y HN 0.340 8.620 8.280 -0.000 0.000 0.477 199 S N 0.781 116.240 115.700 -0.400 0.000 2.720 199 S HA 0.588 5.047 4.470 -0.019 0.000 0.278 199 S C -1.998 172.205 174.600 -0.661 0.000 1.172 199 S CA -0.512 57.447 58.200 -0.401 0.000 1.019 199 S CB -0.033 63.063 63.200 -0.174 0.000 1.049 199 S HN 0.387 8.697 8.310 -0.000 0.000 0.483 200 F N 4.422 124.384 119.950 0.019 0.000 2.307 200 F HA 0.303 4.820 4.527 -0.018 0.000 0.369 200 F C 1.167 176.967 175.800 0.000 0.000 1.076 200 F CA -0.658 57.340 58.000 -0.005 0.000 1.149 200 F CB 0.660 39.648 39.000 -0.020 0.000 1.410 200 F HN 0.415 8.715 8.300 -0.000 0.000 0.481 201 V N -1.526 118.426 119.914 0.063 0.000 2.484 201 V HA 0.091 4.200 4.120 -0.019 0.000 0.236 201 V C 1.143 177.266 176.094 0.047 0.000 1.062 201 V CA 0.684 63.006 62.300 0.037 0.000 1.081 201 V CB -0.908 30.911 31.823 -0.007 0.000 0.751 201 V HN 0.536 8.726 8.190 -0.000 0.000 0.484 202 T N -2.257 112.322 114.554 0.041 0.000 2.788 202 T HA 0.158 4.497 4.350 -0.019 0.000 0.287 202 T C 1.111 175.841 174.700 0.050 0.000 1.007 202 T CA 0.638 62.760 62.100 0.037 0.000 1.005 202 T CB 1.019 69.903 68.868 0.026 0.000 1.012 202 T HN 0.298 8.538 8.240 -0.000 0.000 0.530 203 T N -0.154 114.422 114.554 0.036 0.000 2.962 203 T HA 0.045 4.384 4.350 -0.019 0.000 0.270 203 T C 1.938 176.661 174.700 0.038 0.000 1.088 203 T CA 1.028 63.148 62.100 0.034 0.000 1.127 203 T CB -0.988 67.893 68.868 0.020 0.000 0.883 203 T HN 0.766 9.006 8.240 -0.000 0.000 0.493 204 A N 0.458 123.302 122.820 0.040 0.000 2.206 204 A HA 0.089 4.398 4.320 -0.019 0.000 0.211 204 A C 2.115 179.743 177.584 0.073 0.000 1.158 204 A CA 0.642 52.707 52.037 0.046 0.000 0.761 204 A CB -0.092 18.932 19.000 0.039 0.000 0.801 204 A HN 0.468 8.618 8.150 -0.000 0.000 0.473 205 E N -0.138 120.122 120.200 0.099 0.000 2.110 205 E HA -0.053 4.285 4.350 -0.019 0.000 0.193 205 E C 2.034 178.730 176.600 0.160 0.000 0.950 205 E CA 0.891 57.404 56.400 0.188 0.000 0.840 205 E CB -0.556 29.277 29.700 0.223 0.000 0.809 205 E HN 0.565 8.925 8.360 -0.000 0.000 0.465 206 R N 2.218 122.782 120.500 0.107 0.000 2.115 206 R HA -0.231 4.098 4.340 -0.019 0.000 0.239 206 R C 2.070 178.345 176.300 -0.042 0.000 1.133 206 R CA 2.432 58.545 56.100 0.023 0.000 0.935 206 R CB -0.649 29.670 30.300 0.032 0.000 0.853 206 R HN 0.202 8.472 8.270 -0.000 0.000 0.433 207 E N -0.467 119.727 120.200 -0.011 0.000 2.085 207 E HA -0.178 4.160 4.350 -0.019 0.000 0.194 207 E C 1.973 178.548 176.600 -0.043 0.000 0.994 207 E CA 1.570 57.959 56.400 -0.018 0.000 0.801 207 E CB -0.232 29.472 29.700 0.007 0.000 0.743 207 E HN 0.564 8.924 8.360 -0.000 0.000 0.453 208 I N 0.093 120.639 120.570 -0.041 0.000 3.001 208 I HA -0.133 4.026 4.170 -0.019 0.000 0.268 208 I C 1.998 177.985 176.117 -0.217 0.000 1.267 208 I CA 0.191 61.448 61.300 -0.071 0.000 1.472 208 I CB 0.199 38.211 38.000 0.020 0.000 1.089 208 I HN 0.098 8.308 8.210 -0.000 0.000 0.468 209 V N 1.072 120.815 119.914 -0.285 0.000 2.490 209 V HA -0.268 3.841 4.120 -0.019 0.000 0.250 209 V C 2.565 178.503 176.094 -0.259 0.000 1.061 209 V CA 2.020 64.072 62.300 -0.414 0.000 1.064 209 V CB -0.579 30.904 31.823 -0.567 0.000 0.670 209 V HN 0.484 8.674 8.190 -0.000 0.000 0.461 210 R N -0.363 120.038 120.500 -0.164 0.000 2.092 210 R HA -0.169 4.160 4.340 -0.019 0.000 0.231 210 R C 2.145 178.402 176.300 -0.073 0.000 1.119 210 R CA 1.837 57.885 56.100 -0.088 0.000 0.970 210 R CB -0.464 29.806 30.300 -0.050 0.000 0.864 210 R HN 0.650 8.920 8.270 -0.000 0.000 0.440 211 D N 0.142 120.486 120.400 -0.094 0.000 2.277 211 D HA -0.075 4.554 4.640 -0.019 0.000 0.208 211 D C 1.846 178.070 176.300 -0.127 0.000 0.962 211 D CA 0.523 54.491 54.000 -0.054 0.000 0.865 211 D CB 0.181 40.989 40.800 0.013 0.000 0.939 211 D HN 0.309 8.679 8.370 -0.000 0.000 0.510 212 I N 0.739 121.122 120.570 -0.312 0.000 2.162 212 I HA -0.214 3.945 4.170 -0.019 0.000 0.238 212 I C 2.694 178.742 176.117 -0.115 0.000 1.076 212 I CA 0.743 61.821 61.300 -0.370 0.000 1.353 212 I CB -0.238 37.470 38.000 -0.486 0.000 1.063 212 I HN -0.071 8.139 8.210 -0.000 0.000 0.408 213 K N 1.199 121.556 120.400 -0.072 0.000 2.034 213 K HA -0.286 4.023 4.320 -0.019 0.000 0.214 213 K C 1.940 178.629 176.600 0.149 0.000 1.051 213 K CA 2.185 58.508 56.287 0.059 0.000 0.931 213 K CB -0.122 32.417 32.500 0.066 0.000 0.715 213 K HN 0.351 8.601 8.250 -0.000 0.000 0.446 214 E N 0.154 120.405 120.200 0.085 0.000 2.031 214 E HA -0.183 4.156 4.350 -0.019 0.000 0.193 214 E C 2.203 178.872 176.600 0.115 0.000 0.994 214 E CA 1.515 57.963 56.400 0.080 0.000 0.800 214 E CB 0.021 29.737 29.700 0.027 0.000 0.752 214 E HN 0.319 8.679 8.360 -0.000 0.000 0.447 215 K N 0.358 120.825 120.400 0.111 0.000 2.025 215 K HA -0.049 4.260 4.320 -0.019 0.000 0.207 215 K C 2.142 178.859 176.600 0.194 0.000 1.049 215 K CA 0.970 57.347 56.287 0.150 0.000 0.933 215 K CB 0.028 32.636 32.500 0.181 0.000 0.714 215 K HN 0.123 8.373 8.250 -0.000 0.000 0.438 216 L N 0.253 121.575 121.223 0.164 0.000 2.513 216 L HA 0.103 4.432 4.340 -0.019 0.000 0.222 216 L C 0.847 177.836 176.870 0.197 0.000 1.096 216 L CA -0.422 54.501 54.840 0.140 0.000 0.857 216 L CB 0.270 42.363 42.059 0.057 0.000 1.026 216 L HN 0.103 8.333 8.230 -0.000 0.000 0.469 217 C N 0.602 120.069 119.300 0.279 0.000 2.644 217 C HA 0.270 4.719 4.460 -0.019 0.000 0.417 217 C C -0.010 175.382 174.990 0.670 0.000 1.304 217 C CA -0.133 59.108 59.018 0.372 0.000 2.035 217 C CB -0.384 27.517 27.740 0.268 0.000 2.673 217 C HN 0.139 8.369 8.230 -0.000 0.000 0.602 218 Y N 0.613 121.042 120.300 0.214 0.000 2.536 218 Y HA 0.584 5.123 4.550 -0.019 0.000 0.347 218 Y C -0.065 175.988 175.900 0.255 0.000 1.000 218 Y CA -1.124 57.114 58.100 0.229 0.000 1.051 218 Y CB 1.484 40.078 38.460 0.224 0.000 1.259 218 Y HN 0.313 8.593 8.280 -0.000 0.000 0.468 219 V N 2.726 122.776 119.914 0.227 0.000 2.349 219 V HA 0.670 4.778 4.120 -0.019 0.000 0.284 219 V C -0.087 175.830 176.094 -0.295 0.000 1.014 219 V CA -1.058 61.328 62.300 0.144 0.000 0.826 219 V CB 0.866 32.814 31.823 0.209 0.000 1.009 219 V HN 0.865 9.055 8.190 -0.000 0.000 0.431 220 A N 6.049 128.384 122.820 -0.809 0.000 2.354 220 A HA 0.805 5.114 4.320 -0.019 0.000 0.269 220 A C -0.140 176.741 177.584 -1.171 0.000 1.109 220 A CA -0.429 51.071 52.037 -0.895 0.000 0.800 220 A CB 0.448 18.959 19.000 -0.815 0.000 1.045 220 A HN 0.977 9.127 8.150 -0.000 0.000 0.489 221 L N -0.096 120.762 121.223 -0.608 0.000 2.292 221 L HA 0.648 4.977 4.340 -0.019 0.000 0.284 221 L C -0.030 176.620 176.870 -0.367 0.000 1.065 221 L CA -0.576 53.993 54.840 -0.451 0.000 0.806 221 L CB 0.596 42.486 42.059 -0.283 0.000 1.175 221 L HN 0.725 8.955 8.230 -0.000 0.000 0.431 222 D N 1.793 122.018 120.400 -0.292 0.000 3.133 222 D HA -0.258 4.371 4.640 -0.019 0.000 0.239 222 D C 0.137 176.348 176.300 -0.148 0.000 1.136 222 D CA 0.558 54.456 54.000 -0.170 0.000 0.898 222 D CB -0.645 40.076 40.800 -0.132 0.000 0.959 222 D HN 0.604 8.974 8.370 -0.000 0.000 0.415 223 F N 0.699 120.544 119.950 -0.174 0.000 2.502 223 F HA 0.035 4.550 4.527 -0.020 0.000 0.298 223 F C 2.243 177.999 175.800 -0.073 0.000 1.111 223 F CA 1.360 59.255 58.000 -0.175 0.000 1.445 223 F CB -0.078 38.887 39.000 -0.058 0.000 1.081 223 F HN 0.504 8.804 8.300 -0.000 0.000 0.558 224 E N 0.367 120.638 120.200 0.117 0.000 2.001 224 E HA -0.204 4.134 4.350 -0.019 0.000 0.195 224 E C 0.816 177.451 176.600 0.057 0.000 1.002 224 E CA 1.250 57.699 56.400 0.082 0.000 0.819 224 E CB -0.286 29.437 29.700 0.038 0.000 0.769 224 E HN 0.194 8.554 8.360 -0.000 0.000 0.454 225 N N 0.818 119.525 118.700 0.011 0.000 2.597 225 N HA -0.011 4.717 4.740 -0.019 0.000 0.269 225 N C 0.076 175.572 175.510 -0.025 0.000 1.204 225 N CA 0.177 53.229 53.050 0.002 0.000 0.947 225 N CB 0.910 39.390 38.487 -0.012 0.000 1.258 225 N HN 0.244 8.623 8.380 -0.000 0.000 0.508 226 E N -0.136 120.045 120.200 -0.032 0.000 2.414 226 E HA 0.209 4.548 4.350 -0.019 0.000 0.208 226 E C 1.686 178.365 176.600 0.132 0.000 0.820 226 E CA 0.283 56.605 56.400 -0.129 0.000 1.143 226 E CB 0.256 29.648 29.700 -0.513 0.000 1.150 226 E HN 0.026 8.386 8.360 -0.000 0.000 0.540 227 M N 0.515 120.268 119.600 0.256 0.000 2.099 227 M HA 0.053 4.522 4.480 -0.019 0.000 0.262 227 M C 2.252 178.660 176.300 0.181 0.000 1.067 227 M CA 1.675 57.177 55.300 0.336 0.000 1.124 227 M CB -1.251 31.506 32.600 0.262 0.000 1.353 227 M HN 0.235 8.525 8.290 -0.000 0.000 0.410 228 A N 0.487 123.375 122.820 0.114 0.000 1.917 228 A HA -0.188 4.120 4.320 -0.019 0.000 0.219 228 A C 2.291 179.917 177.584 0.070 0.000 1.182 228 A CA 2.633 54.713 52.037 0.072 0.000 0.633 228 A CB -1.330 17.698 19.000 0.047 0.000 0.819 228 A HN 0.574 8.724 8.150 -0.000 0.000 0.448 229 T N 0.422 115.020 114.554 0.073 0.000 2.746 229 T HA -0.031 4.308 4.350 -0.019 0.000 0.267 229 T C 2.154 176.911 174.700 0.096 0.000 1.039 229 T CA 1.604 63.746 62.100 0.069 0.000 1.142 229 T CB -0.611 68.290 68.868 0.055 0.000 0.866 229 T HN 0.650 8.890 8.240 -0.000 0.000 0.444 230 A N 1.803 124.714 122.820 0.151 0.000 1.917 230 A HA 0.069 4.377 4.320 -0.019 0.000 0.219 230 A C 2.713 180.348 177.584 0.084 0.000 1.182 230 A CA 2.018 54.144 52.037 0.149 0.000 0.633 230 A CB -1.248 17.869 19.000 0.194 0.000 0.819 230 A HN 0.565 8.715 8.150 -0.000 0.000 0.448 231 A N -0.645 122.219 122.820 0.073 0.000 1.877 231 A HA -0.055 4.254 4.320 -0.019 0.000 0.216 231 A C 2.385 179.991 177.584 0.035 0.000 1.186 231 A CA 1.972 54.037 52.037 0.046 0.000 0.620 231 A CB -0.904 18.122 19.000 0.043 0.000 0.822 231 A HN 0.474 8.624 8.150 -0.000 0.000 0.443 232 S N -0.129 115.594 115.700 0.037 0.000 2.442 232 S HA -0.004 4.455 4.470 -0.019 0.000 0.236 232 S C 0.729 175.346 174.600 0.028 0.000 1.007 232 S CA 0.829 59.046 58.200 0.029 0.000 0.965 232 S CB -0.467 62.750 63.200 0.028 0.000 0.773 232 S HN 0.615 8.925 8.310 -0.000 0.000 0.504 233 S N 1.936 117.658 115.700 0.037 0.000 3.349 233 S HA -0.120 4.339 4.470 -0.019 0.000 0.437 233 S C 0.415 175.034 174.600 0.031 0.000 0.771 233 S CA 0.249 58.471 58.200 0.036 0.000 1.354 233 S CB -0.908 62.308 63.200 0.027 0.000 1.126 233 S HN 0.806 9.116 8.310 -0.000 0.000 0.687 234 S N 1.688 117.411 115.700 0.039 0.000 2.671 234 S HA 0.645 5.104 4.470 -0.019 0.000 0.272 234 S C 0.852 175.473 174.600 0.034 0.000 1.174 234 S CA -0.265 57.956 58.200 0.035 0.000 1.004 234 S CB 1.120 64.344 63.200 0.039 0.000 1.077 234 S HN 1.163 9.473 8.310 -0.000 0.000 0.553 235 S N 0.493 116.211 115.700 0.030 0.000 3.456 235 S HA 0.188 4.647 4.470 -0.019 0.000 0.229 235 S C 0.979 175.597 174.600 0.030 0.000 1.416 235 S CA -0.388 57.828 58.200 0.027 0.000 1.197 235 S CB -1.286 61.928 63.200 0.023 0.000 1.201 235 S HN 0.746 9.056 8.310 -0.000 0.000 0.479 236 L N -2.111 119.135 121.223 0.040 0.000 2.354 236 L HA 0.392 4.721 4.340 -0.019 0.000 0.212 236 L C 0.742 177.629 176.870 0.027 0.000 1.091 236 L CA -0.059 54.809 54.840 0.047 0.000 0.828 236 L CB -0.443 41.671 42.059 0.092 0.000 0.973 236 L HN 0.113 8.343 8.230 -0.000 0.000 0.461 237 E N 2.252 122.468 120.200 0.027 0.000 2.459 237 E HA 0.026 4.365 4.350 -0.019 0.000 0.264 237 E C -0.652 175.952 176.600 0.008 0.000 1.055 237 E CA 0.655 57.066 56.400 0.018 0.000 0.957 237 E CB 0.630 30.346 29.700 0.026 0.000 0.952 237 E HN 0.079 8.439 8.360 -0.000 0.000 0.448 238 K N 0.715 121.122 120.400 0.012 0.000 2.656 238 K HA 0.199 4.507 4.320 -0.019 0.000 0.253 238 K C -1.319 175.311 176.600 0.051 0.000 1.002 238 K CA -0.152 56.146 56.287 0.019 0.000 0.880 238 K CB 1.602 34.095 32.500 -0.011 0.000 1.232 238 K HN 0.222 8.472 8.250 -0.000 0.000 0.456 239 S N 2.982 118.717 115.700 0.058 0.000 2.475 239 S HA 0.365 4.824 4.470 -0.019 0.000 0.281 239 S C -1.339 173.323 174.600 0.103 0.000 1.198 239 S CA -0.415 57.833 58.200 0.080 0.000 1.063 239 S CB 0.168 63.402 63.200 0.057 0.000 0.972 239 S HN 0.452 8.762 8.310 -0.000 0.000 0.486 240 Y N 3.067 123.360 120.300 -0.012 0.000 2.360 240 Y HA 0.418 4.958 4.550 -0.018 0.000 0.337 240 Y C -0.015 175.875 175.900 -0.016 0.000 1.039 240 Y CA -0.903 57.190 58.100 -0.012 0.000 1.109 240 Y CB 0.916 39.366 38.460 -0.018 0.000 1.201 240 Y HN 0.627 8.907 8.280 -0.000 0.000 0.458 241 E N 5.568 125.595 120.200 -0.288 0.000 2.167 241 E HA 0.290 4.629 4.350 -0.019 0.000 0.284 241 E C -0.933 175.576 176.600 -0.153 0.000 1.016 241 E CA -0.538 55.767 56.400 -0.159 0.000 0.817 241 E CB 0.720 30.326 29.700 -0.158 0.000 1.080 241 E HN 0.781 9.141 8.360 -0.000 0.000 0.397 242 L N 5.985 127.246 121.223 0.064 0.000 2.416 242 L HA 0.102 4.431 4.340 -0.019 0.000 0.212 242 L C -1.440 175.476 176.870 0.076 0.000 1.200 242 L CA -0.608 54.325 54.840 0.155 0.000 0.841 242 L CB -0.127 42.003 42.059 0.118 0.000 1.299 242 L HN 0.637 8.867 8.230 -0.000 0.000 0.538 243 P HA -0.120 4.300 4.420 -0.000 0.000 0.217 243 P C -0.539 176.772 177.300 0.018 0.000 1.148 243 P CA 1.266 64.394 63.100 0.046 0.000 0.828 243 P CB -0.134 31.596 31.700 0.050 0.000 0.783 244 D N -2.231 118.180 120.400 0.018 0.000 2.541 244 D HA 0.103 4.732 4.640 -0.019 0.000 0.276 244 D C 1.641 177.940 176.300 -0.002 0.000 1.190 244 D CA -0.207 53.796 54.000 0.006 0.000 1.095 244 D CB -0.140 40.665 40.800 0.008 0.000 1.173 244 D HN -0.035 8.335 8.370 -0.000 0.000 0.604 245 G N -0.881 107.917 108.800 -0.004 0.000 2.414 245 G HA2 -0.231 3.718 3.960 -0.019 0.000 0.215 245 G HA3 -0.231 3.718 3.960 -0.019 0.000 0.215 245 G C 1.039 175.938 174.900 -0.001 0.000 1.188 245 G CA 0.191 45.287 45.100 -0.007 0.000 0.783 245 G HN 0.500 8.790 8.290 -0.000 0.000 0.537 246 Q N 1.299 121.102 119.800 0.005 0.000 2.621 246 Q HA -0.100 4.229 4.340 -0.019 0.000 0.323 246 Q C 0.572 176.581 176.000 0.014 0.000 1.097 246 Q CA 0.226 56.034 55.803 0.008 0.000 1.177 246 Q CB -1.061 27.678 28.738 0.002 0.000 1.314 246 Q HN 0.419 8.689 8.270 -0.000 0.000 0.348 247 V N 1.295 121.220 119.914 0.018 0.000 2.409 247 V HA 0.186 4.295 4.120 -0.019 0.000 0.270 247 V C 0.618 176.734 176.094 0.036 0.000 1.019 247 V CA -0.292 62.024 62.300 0.027 0.000 1.066 247 V CB 0.092 31.928 31.823 0.021 0.000 1.021 247 V HN 0.419 8.609 8.190 -0.000 0.000 0.476 248 I N 4.663 125.245 120.570 0.020 0.000 2.440 248 I HA 0.505 4.663 4.170 -0.019 0.000 0.294 248 I C 0.532 176.672 176.117 0.037 0.000 0.995 248 I CA 0.290 61.546 61.300 -0.074 0.000 1.306 248 I CB 1.796 39.640 38.000 -0.260 0.000 1.407 248 I HN 0.835 9.045 8.210 -0.000 0.000 0.501 249 T N 7.160 121.795 114.554 0.135 0.000 2.823 249 T HA 0.664 5.003 4.350 -0.019 0.000 0.279 249 T C -0.795 174.001 174.700 0.160 0.000 0.998 249 T CA -0.420 61.763 62.100 0.137 0.000 0.994 249 T CB 0.553 69.499 68.868 0.129 0.000 0.960 249 T HN 0.330 8.570 8.240 -0.000 0.000 0.448 250 I N 4.314 124.934 120.570 0.084 0.000 2.497 250 I HA 0.434 4.593 4.170 -0.019 0.000 0.284 250 I C 0.841 176.964 176.117 0.010 0.000 1.060 250 I CA -0.275 61.053 61.300 0.046 0.000 1.071 250 I CB 1.861 39.864 38.000 0.005 0.000 1.216 250 I HN 0.822 9.032 8.210 -0.000 0.000 0.442 251 G N 3.902 112.700 108.800 -0.003 0.000 2.724 251 G HA2 -0.020 3.929 3.960 -0.019 0.000 0.217 251 G HA3 -0.020 3.929 3.960 -0.019 0.000 0.217 251 G C 0.906 175.775 174.900 -0.052 0.000 1.251 251 G CA 0.348 45.442 45.100 -0.011 0.000 0.867 251 G HN 0.551 8.841 8.290 -0.000 0.000 0.590 252 N N 1.320 119.953 118.700 -0.112 0.000 2.176 252 N HA -0.020 4.709 4.740 -0.019 0.000 0.187 252 N C 1.961 177.107 175.510 -0.606 0.000 1.043 252 N CA 1.092 53.965 53.050 -0.295 0.000 0.851 252 N CB -0.235 38.150 38.487 -0.170 0.000 1.018 252 N HN 0.280 8.660 8.380 -0.000 0.000 0.436 253 E N 2.208 122.186 120.200 -0.371 0.000 2.253 253 E HA -0.336 4.003 4.350 -0.019 0.000 0.202 253 E C 1.622 178.082 176.600 -0.233 0.000 1.014 253 E CA 1.026 57.244 56.400 -0.304 0.000 0.823 253 E CB -0.585 29.006 29.700 -0.181 0.000 0.736 253 E HN 0.411 8.771 8.360 -0.000 0.000 0.478 254 R N 0.656 121.041 120.500 -0.192 0.000 2.196 254 R HA -0.226 4.102 4.340 -0.019 0.000 0.259 254 R C 2.122 178.479 176.300 0.094 0.000 1.154 254 R CA 2.533 58.598 56.100 -0.058 0.000 0.976 254 R CB -0.363 29.897 30.300 -0.066 0.000 0.888 254 R HN 0.467 8.737 8.270 -0.000 0.000 0.453 255 F N -2.219 117.834 119.950 0.172 0.000 2.724 255 F HA 0.369 4.884 4.527 -0.020 0.000 0.306 255 F C 1.476 177.367 175.800 0.152 0.000 1.100 255 F CA -0.582 57.611 58.000 0.321 0.000 1.255 255 F CB -0.202 39.136 39.000 0.563 0.000 1.072 255 F HN -0.231 8.069 8.300 -0.000 0.000 0.589 256 R N 0.042 120.498 120.500 -0.073 0.000 2.189 256 R HA -0.088 4.241 4.340 -0.019 0.000 0.223 256 R C 2.164 178.647 176.300 0.304 0.000 1.092 256 R CA 1.209 57.372 56.100 0.105 0.000 0.989 256 R CB -1.068 29.213 30.300 -0.031 0.000 0.876 256 R HN 0.537 8.807 8.270 -0.000 0.000 0.457 257 C N 1.429 120.842 119.300 0.188 0.000 2.508 257 C HA 0.045 4.494 4.460 -0.019 0.000 0.280 257 C C -0.608 174.373 174.990 -0.015 0.000 1.262 257 C CA 0.489 59.641 59.018 0.222 0.000 1.706 257 C CB -0.827 26.960 27.740 0.078 0.000 2.078 257 C HN 0.213 8.443 8.230 -0.000 0.000 0.480 258 P HA -0.053 4.367 4.420 -0.000 0.000 0.225 258 P C 1.263 178.513 177.300 -0.082 0.000 1.156 258 P CA 1.142 64.090 63.100 -0.254 0.000 0.787 258 P CB -0.286 31.198 31.700 -0.360 0.000 0.802 259 E N -0.715 119.324 120.200 -0.269 0.000 2.331 259 E HA -0.142 4.197 4.350 -0.019 0.000 0.199 259 E C 1.090 177.262 176.600 -0.713 0.000 1.008 259 E CA 1.114 57.129 56.400 -0.641 0.000 0.843 259 E CB -0.251 28.715 29.700 -1.224 0.000 0.761 259 E HN 0.206 8.566 8.360 -0.000 0.000 0.507 260 T N 0.838 115.027 114.554 -0.609 0.000 2.788 260 T HA -0.126 4.213 4.350 -0.019 0.000 0.268 260 T C 1.776 176.200 174.700 -0.461 0.000 1.044 260 T CA 0.754 62.469 62.100 -0.642 0.000 1.139 260 T CB -0.120 68.457 68.868 -0.486 0.000 0.867 260 T HN 0.200 8.440 8.240 -0.000 0.000 0.454 261 L N -0.280 120.691 121.223 -0.419 0.000 2.187 261 L HA -0.070 4.259 4.340 -0.019 0.000 0.213 261 L C 1.958 178.463 176.870 -0.608 0.000 1.100 261 L CA 1.281 55.825 54.840 -0.494 0.000 0.765 261 L CB -0.490 41.218 42.059 -0.584 0.000 0.904 261 L HN 0.259 8.489 8.230 -0.000 0.000 0.437 262 F N -1.058 118.839 119.950 -0.088 0.000 2.582 262 F HA 0.070 4.586 4.527 -0.018 0.000 0.290 262 F C 0.833 176.601 175.800 -0.053 0.000 1.115 262 F CA -0.043 57.972 58.000 0.025 0.000 1.445 262 F CB 0.070 39.075 39.000 0.008 0.000 1.126 262 F HN -0.031 8.269 8.300 -0.000 0.000 0.574 263 Q N 0.076 119.784 119.800 -0.154 0.000 2.454 263 Q HA 0.277 4.606 4.340 -0.019 0.000 0.255 263 Q C -2.151 173.674 176.000 -0.292 0.000 1.034 263 Q CA -1.593 54.071 55.803 -0.232 0.000 0.736 263 Q CB 1.610 30.094 28.738 -0.423 0.000 1.210 263 Q HN -0.079 8.191 8.270 -0.000 0.000 0.500 264 P HA -0.132 4.288 4.420 -0.000 0.000 0.229 264 P C 0.759 178.024 177.300 -0.059 0.000 1.160 264 P CA 0.789 63.810 63.100 -0.131 0.000 0.777 264 P CB 0.417 32.058 31.700 -0.098 0.000 0.814 265 S N -1.525 114.179 115.700 0.007 0.000 2.440 265 S HA -0.165 4.294 4.470 -0.019 0.000 0.238 265 S C 1.567 176.262 174.600 0.158 0.000 1.010 265 S CA 0.925 59.172 58.200 0.078 0.000 0.972 265 S CB -1.571 61.690 63.200 0.102 0.000 0.774 265 S HN -0.021 8.289 8.310 -0.000 0.000 0.501 266 F N 2.355 122.221 119.950 -0.140 0.000 2.333 266 F HA 0.191 4.707 4.527 -0.018 0.000 0.300 266 F C 1.641 177.299 175.800 -0.237 0.000 1.083 266 F CA -0.242 57.638 58.000 -0.201 0.000 1.395 266 F CB -0.490 38.269 39.000 -0.401 0.000 1.056 266 F HN 0.387 8.687 8.300 -0.000 0.000 0.529 267 I N -4.210 116.342 120.570 -0.030 0.000 3.658 267 I HA 0.545 4.704 4.170 -0.019 0.000 0.328 267 I C 1.161 177.271 176.117 -0.012 0.000 1.567 267 I CA 0.093 61.363 61.300 -0.050 0.000 1.078 267 I CB 0.222 38.141 38.000 -0.135 0.000 1.267 267 I HN 0.027 8.237 8.210 -0.000 0.000 0.495 268 G N 1.832 110.636 108.800 0.006 0.000 2.203 268 G HA2 -0.270 3.679 3.960 -0.019 0.000 0.263 268 G HA3 -0.270 3.679 3.960 -0.019 0.000 0.263 268 G C 0.102 174.996 174.900 -0.010 0.000 1.012 268 G CA 0.406 45.509 45.100 0.004 0.000 0.749 268 G HN 0.498 8.788 8.290 -0.000 0.000 0.512 269 M N -0.104 119.483 119.600 -0.022 0.000 2.209 269 M HA 0.302 4.771 4.480 -0.019 0.000 0.355 269 M C 0.875 177.160 176.300 -0.025 0.000 1.171 269 M CA -0.509 54.771 55.300 -0.034 0.000 1.069 269 M CB 1.177 33.743 32.600 -0.058 0.000 1.622 269 M HN -0.032 8.258 8.290 -0.000 0.000 0.459 270 E N 0.907 121.093 120.200 -0.023 0.000 2.474 270 E HA 0.033 4.372 4.350 -0.019 0.000 0.194 270 E C 0.661 177.247 176.600 -0.024 0.000 1.041 270 E CA 0.120 56.510 56.400 -0.017 0.000 0.874 270 E CB 0.210 29.903 29.700 -0.012 0.000 0.914 270 E HN 0.745 9.105 8.360 -0.000 0.000 0.498 271 S N 0.555 116.232 115.700 -0.038 0.000 2.580 271 S HA 0.366 4.825 4.470 -0.019 0.000 0.266 271 S C 0.616 175.188 174.600 -0.047 0.000 1.354 271 S CA -0.289 57.883 58.200 -0.048 0.000 1.008 271 S CB 1.337 64.497 63.200 -0.068 0.000 0.898 271 S HN 0.132 8.442 8.310 -0.000 0.000 0.555 272 A N 1.393 124.183 122.820 -0.051 0.000 2.310 272 A HA 0.664 4.972 4.320 -0.019 0.000 0.260 272 A C 0.744 178.277 177.584 -0.085 0.000 1.112 272 A CA -0.165 51.837 52.037 -0.060 0.000 0.804 272 A CB -0.585 18.378 19.000 -0.062 0.000 1.081 272 A HN 1.345 9.495 8.150 -0.000 0.000 0.499 273 G N -1.363 107.370 108.800 -0.111 0.000 2.471 273 G HA2 0.469 4.417 3.960 -0.019 0.000 0.332 273 G HA3 0.469 4.417 3.960 -0.019 0.000 0.332 273 G C 0.659 175.465 174.900 -0.156 0.000 1.176 273 G CA -0.489 44.551 45.100 -0.099 0.000 0.949 273 G HN 0.506 8.796 8.290 -0.000 0.000 0.488 274 I N 0.743 121.259 120.570 -0.091 0.000 2.242 274 I HA -0.385 3.774 4.170 -0.019 0.000 0.242 274 I C 2.811 178.959 176.117 0.052 0.000 0.998 274 I CA 2.550 63.829 61.300 -0.035 0.000 1.283 274 I CB -0.274 37.647 38.000 -0.133 0.000 0.985 274 I HN 0.774 8.984 8.210 -0.000 0.000 0.415 275 H N -0.567 118.624 119.070 0.202 0.000 2.395 275 H HA -0.015 4.535 4.556 -0.011 0.000 0.299 275 H C 1.890 177.316 175.328 0.164 0.000 1.070 275 H CA 1.500 57.674 56.048 0.210 0.000 1.356 275 H CB -0.761 29.150 29.762 0.248 0.000 1.401 275 H HN 0.508 8.788 8.280 -0.000 0.000 0.524 276 E N 0.403 120.188 120.200 -0.692 0.000 2.107 276 E HA -0.072 4.267 4.350 -0.019 0.000 0.191 276 E C 1.954 178.532 176.600 -0.038 0.000 0.982 276 E CA 1.298 57.526 56.400 -0.286 0.000 0.809 276 E CB 0.165 29.672 29.700 -0.321 0.000 0.756 276 E HN 0.447 8.807 8.360 -0.000 0.000 0.459 277 T N 0.237 114.739 114.554 -0.085 0.000 2.857 277 T HA -0.095 4.244 4.350 -0.019 0.000 0.266 277 T C 1.923 176.632 174.700 0.016 0.000 1.048 277 T CA 1.380 63.465 62.100 -0.026 0.000 1.139 277 T CB -0.233 68.600 68.868 -0.059 0.000 0.874 277 T HN 0.150 8.390 8.240 -0.000 0.000 0.455 278 T N 0.961 115.542 114.554 0.044 0.000 2.665 278 T HA -0.164 4.174 4.350 -0.019 0.000 0.268 278 T C 1.567 176.294 174.700 0.045 0.000 1.035 278 T CA 1.545 63.678 62.100 0.055 0.000 1.151 278 T CB -0.480 68.455 68.868 0.112 0.000 0.862 278 T HN 0.505 8.745 8.240 -0.000 0.000 0.438 279 Y N 1.982 122.282 120.300 0.001 0.000 2.163 279 Y HA -0.105 4.431 4.550 -0.024 0.000 0.288 279 Y C 2.142 178.036 175.900 -0.010 0.000 1.136 279 Y CA 1.517 59.631 58.100 0.022 0.000 1.147 279 Y CB -0.545 37.964 38.460 0.081 0.000 0.987 279 Y HN 0.262 8.542 8.280 -0.000 0.000 0.509 280 N N -0.945 117.816 118.700 0.101 0.000 2.223 280 N HA -0.189 4.540 4.740 -0.019 0.000 0.185 280 N C 1.998 177.451 175.510 -0.095 0.000 1.016 280 N CA 1.014 54.066 53.050 0.003 0.000 0.863 280 N CB -0.260 38.265 38.487 0.063 0.000 0.983 280 N HN 0.202 8.582 8.380 -0.000 0.000 0.429 281 S N 0.638 116.285 115.700 -0.088 0.000 2.359 281 S HA -0.041 4.418 4.470 -0.019 0.000 0.224 281 S C 1.824 176.332 174.600 -0.154 0.000 1.035 281 S CA 0.895 59.034 58.200 -0.101 0.000 1.018 281 S CB -0.138 63.010 63.200 -0.087 0.000 0.876 281 S HN 0.224 8.534 8.310 -0.000 0.000 0.448 282 I N 0.307 120.733 120.570 -0.239 0.000 2.202 282 I HA -0.122 4.037 4.170 -0.019 0.000 0.242 282 I C 1.834 177.765 176.117 -0.311 0.000 1.091 282 I CA 1.046 62.145 61.300 -0.335 0.000 1.368 282 I CB -0.185 37.476 38.000 -0.566 0.000 1.058 282 I HN 0.283 8.493 8.210 -0.000 0.000 0.410 283 M N 0.173 119.544 119.600 -0.382 0.000 2.691 283 M HA -0.027 4.442 4.480 -0.019 0.000 0.227 283 M C 1.493 177.722 176.300 -0.117 0.000 1.120 283 M CA 1.087 56.237 55.300 -0.251 0.000 1.034 283 M CB -0.375 32.045 32.600 -0.299 0.000 1.675 283 M HN -0.037 8.253 8.290 -0.000 0.000 0.514 284 K N -1.662 118.681 120.400 -0.095 0.000 2.353 284 K HA 0.187 4.495 4.320 -0.019 0.000 0.195 284 K C -0.080 176.531 176.600 0.019 0.000 1.031 284 K CA -0.023 56.250 56.287 -0.023 0.000 1.079 284 K CB 0.477 32.971 32.500 -0.009 0.000 0.857 284 K HN 0.285 8.535 8.250 -0.000 0.000 0.535 285 C N 1.201 120.487 119.300 -0.023 0.000 2.325 285 C HA 0.189 4.638 4.460 -0.019 0.000 0.370 285 C C 0.408 175.394 174.990 -0.006 0.000 1.217 285 C CA -0.981 58.040 59.018 0.005 0.000 2.254 285 C CB 1.045 28.759 27.740 -0.042 0.000 2.282 285 C HN 0.433 8.663 8.230 -0.000 0.000 0.564 286 D N 0.122 120.517 120.400 -0.008 0.000 2.423 286 D HA 0.063 4.692 4.640 -0.019 0.000 0.238 286 D C 0.859 177.140 176.300 -0.031 0.000 1.142 286 D CA -0.054 53.926 54.000 -0.033 0.000 0.884 286 D CB 0.488 41.248 40.800 -0.068 0.000 1.199 286 D HN 0.317 8.687 8.370 -0.000 0.000 0.438 287 I N 2.174 122.732 120.570 -0.020 0.000 2.208 287 I HA -0.208 3.950 4.170 -0.019 0.000 0.245 287 I C 1.850 177.975 176.117 0.013 0.000 1.097 287 I CA 1.249 62.549 61.300 -0.000 0.000 1.363 287 I CB -0.544 37.458 38.000 0.003 0.000 1.051 287 I HN 0.426 8.636 8.210 -0.000 0.000 0.413 288 D N 0.881 121.279 120.400 -0.003 0.000 2.219 288 D HA -0.054 4.575 4.640 -0.019 0.000 0.205 288 D C 2.201 178.517 176.300 0.026 0.000 0.970 288 D CA 1.568 55.573 54.000 0.009 0.000 0.851 288 D CB -0.009 40.784 40.800 -0.011 0.000 0.943 288 D HN 0.580 8.950 8.370 -0.000 0.000 0.488 289 I N -1.909 118.662 120.570 0.002 0.000 3.603 289 I HA 0.084 4.242 4.170 -0.019 0.000 0.297 289 I C 1.867 178.023 176.117 0.065 0.000 1.269 289 I CA 0.030 61.363 61.300 0.055 0.000 1.361 289 I CB 0.067 38.074 38.000 0.012 0.000 1.063 289 I HN -0.277 7.933 8.210 -0.000 0.000 0.448 290 R N 2.536 123.060 120.500 0.040 0.000 2.152 290 R HA -0.097 4.232 4.340 -0.019 0.000 0.232 290 R C 2.083 178.484 176.300 0.168 0.000 1.117 290 R CA 1.350 57.472 56.100 0.037 0.000 0.981 290 R CB -0.448 29.893 30.300 0.068 0.000 0.870 290 R HN 0.550 8.820 8.270 -0.000 0.000 0.451 291 K N 0.839 121.344 120.400 0.175 0.000 2.211 291 K HA -0.121 4.187 4.320 -0.019 0.000 0.203 291 K C 0.912 177.618 176.600 0.176 0.000 1.050 291 K CA 1.366 57.777 56.287 0.206 0.000 0.945 291 K CB -0.068 32.508 32.500 0.127 0.000 0.732 291 K HN 0.045 8.295 8.250 -0.000 0.000 0.451 292 D N 1.372 121.850 120.400 0.130 0.000 2.084 292 D HA -0.074 4.555 4.640 -0.019 0.000 0.196 292 D C 2.086 178.433 176.300 0.077 0.000 0.985 292 D CA 0.811 54.873 54.000 0.104 0.000 0.826 292 D CB -0.125 40.750 40.800 0.125 0.000 0.978 292 D HN 0.036 8.406 8.370 -0.000 0.000 0.456 293 L N 0.373 121.619 121.223 0.038 0.000 2.043 293 L HA -0.205 4.124 4.340 -0.019 0.000 0.212 293 L C 2.321 179.170 176.870 -0.034 0.000 1.075 293 L CA 1.393 56.210 54.840 -0.038 0.000 0.752 293 L CB -1.214 40.767 42.059 -0.131 0.000 0.891 293 L HN 0.144 8.374 8.230 -0.000 0.000 0.432 294 Y N -0.743 119.579 120.300 0.036 0.000 2.293 294 Y HA -0.076 4.464 4.550 -0.016 0.000 0.291 294 Y C 2.274 178.196 175.900 0.038 0.000 1.137 294 Y CA 0.951 59.075 58.100 0.041 0.000 1.202 294 Y CB -0.527 37.959 38.460 0.044 0.000 0.990 294 Y HN 0.147 8.427 8.280 -0.000 0.000 0.537 295 A N -0.744 122.189 122.820 0.189 0.000 2.337 295 A HA 0.135 4.444 4.320 -0.019 0.000 0.227 295 A C 0.389 178.020 177.584 0.077 0.000 1.259 295 A CA 0.135 52.242 52.037 0.117 0.000 0.870 295 A CB -0.380 18.674 19.000 0.089 0.000 0.927 295 A HN 0.357 8.507 8.150 -0.000 0.000 0.497 296 N N 0.530 119.272 118.700 0.069 0.000 2.673 296 N HA 0.068 4.797 4.740 -0.019 0.000 0.265 296 N C -1.476 174.053 175.510 0.031 0.000 1.709 296 N CA -0.149 52.925 53.050 0.040 0.000 0.792 296 N CB 0.391 38.893 38.487 0.025 0.000 1.286 296 N HN 0.305 8.685 8.380 -0.000 0.000 0.506 297 N N 0.587 119.313 118.700 0.044 0.000 2.469 297 N HA 0.216 4.944 4.740 -0.019 0.000 0.239 297 N C -0.747 174.784 175.510 0.034 0.000 1.053 297 N CA -0.121 52.953 53.050 0.041 0.000 0.937 297 N CB 0.949 39.477 38.487 0.068 0.000 1.163 297 N HN 0.006 8.386 8.380 -0.000 0.000 0.509 298 V N 3.945 123.873 119.914 0.022 0.000 2.481 298 V HA 0.355 4.464 4.120 -0.019 0.000 0.286 298 V C 0.179 176.285 176.094 0.019 0.000 1.042 298 V CA -0.489 61.821 62.300 0.017 0.000 0.928 298 V CB 1.419 33.248 31.823 0.010 0.000 0.986 298 V HN 0.648 8.838 8.190 -0.000 0.000 0.462 299 M N 4.636 124.247 119.600 0.018 0.000 2.336 299 M HA 0.577 5.046 4.480 -0.019 0.000 0.342 299 M C -0.200 176.103 176.300 0.005 0.000 1.128 299 M CA 0.286 55.596 55.300 0.017 0.000 1.016 299 M CB 1.837 34.450 32.600 0.021 0.000 1.665 299 M HN 0.840 9.130 8.290 -0.000 0.000 0.445 300 S N 2.137 117.840 115.700 0.005 0.000 2.579 300 S HA 1.016 5.474 4.470 -0.019 0.000 0.272 300 S C -0.521 174.073 174.600 -0.010 0.000 1.141 300 S CA -0.267 57.931 58.200 -0.003 0.000 0.843 300 S CB 1.877 65.085 63.200 0.013 0.000 1.122 300 S HN 1.408 9.718 8.310 -0.000 0.000 0.468 301 G N -0.187 108.596 108.800 -0.029 0.000 2.640 301 G HA2 0.407 4.356 3.960 -0.019 0.000 0.686 301 G HA3 0.407 4.356 3.960 -0.019 0.000 0.686 301 G C 0.625 175.470 174.900 -0.092 0.000 1.229 301 G CA -0.086 44.991 45.100 -0.038 0.000 0.796 301 G HN 1.664 9.954 8.290 -0.000 0.000 0.654 302 G N -0.301 108.438 108.800 -0.102 0.000 2.469 302 G HA2 -0.064 3.885 3.960 -0.019 0.000 0.219 302 G HA3 -0.064 3.885 3.960 -0.019 0.000 0.219 302 G C 1.740 176.507 174.900 -0.222 0.000 1.150 302 G CA 2.360 47.368 45.100 -0.154 0.000 0.763 302 G HN 1.323 9.613 8.290 -0.000 0.000 0.561 303 T N 0.532 114.981 114.554 -0.176 0.000 3.118 303 T HA -0.004 4.335 4.350 -0.019 0.000 0.260 303 T C 2.378 176.924 174.700 -0.257 0.000 1.139 303 T CA 1.553 63.509 62.100 -0.241 0.000 1.085 303 T CB -0.220 68.624 68.868 -0.040 0.000 0.934 303 T HN 0.561 8.801 8.240 -0.000 0.000 0.518 304 T N -0.817 113.640 114.554 -0.161 0.000 3.188 304 T HA 0.217 4.556 4.350 -0.019 0.000 0.250 304 T C 1.616 176.248 174.700 -0.112 0.000 1.077 304 T CA -0.136 61.921 62.100 -0.072 0.000 0.967 304 T CB -0.247 68.606 68.868 -0.025 0.000 1.006 304 T HN 0.115 8.355 8.240 -0.000 0.000 0.552 305 M N 0.267 119.710 119.600 -0.262 0.000 2.514 305 M HA 0.218 4.687 4.480 -0.019 0.000 0.258 305 M C -0.326 175.872 176.300 -0.170 0.000 1.119 305 M CA 0.094 55.265 55.300 -0.215 0.000 1.111 305 M CB -0.721 31.734 32.600 -0.241 0.000 1.390 305 M HN 0.279 8.569 8.290 -0.000 0.000 0.475 306 Y N 2.154 122.458 120.300 0.006 0.000 2.846 306 Y HA -0.007 4.531 4.550 -0.021 0.000 0.352 306 Y C -1.784 174.089 175.900 -0.045 0.000 1.298 306 Y CA -1.711 56.402 58.100 0.022 0.000 1.634 306 Y CB -1.359 37.151 38.460 0.084 0.000 1.214 306 Y HN 0.106 8.386 8.280 -0.000 0.000 0.529 307 P HA 0.009 4.429 4.420 -0.000 0.000 0.264 307 P C 0.813 178.022 177.300 -0.153 0.000 1.179 307 P CA 1.588 64.583 63.100 -0.176 0.000 0.763 307 P CB 0.541 31.986 31.700 -0.425 0.000 0.806 308 G N 2.300 111.030 108.800 -0.117 0.000 2.143 308 G HA2 -0.322 3.627 3.960 -0.019 0.000 0.248 308 G HA3 -0.322 3.627 3.960 -0.019 0.000 0.248 308 G C 0.714 175.591 174.900 -0.039 0.000 0.991 308 G CA 0.255 45.292 45.100 -0.105 0.000 0.689 308 G HN 0.586 8.876 8.290 -0.000 0.000 0.522 309 I N -0.096 120.502 120.570 0.047 0.000 2.406 309 I HA 0.273 4.432 4.170 -0.019 0.000 0.249 309 I C 2.709 178.901 176.117 0.125 0.000 1.122 309 I CA 2.046 63.441 61.300 0.157 0.000 1.431 309 I CB -0.106 38.008 38.000 0.190 0.000 1.087 309 I HN 0.307 8.517 8.210 -0.000 0.000 0.424 310 A N 0.309 123.162 122.820 0.055 0.000 1.872 310 A HA -0.185 4.124 4.320 -0.019 0.000 0.214 310 A C 1.987 179.576 177.584 0.008 0.000 1.187 310 A CA 1.855 53.915 52.037 0.039 0.000 0.614 310 A CB -0.741 18.268 19.000 0.015 0.000 0.826 310 A HN 0.443 8.593 8.150 -0.000 0.000 0.442 311 D N -0.522 119.858 120.400 -0.033 0.000 2.104 311 D HA -0.146 4.483 4.640 -0.019 0.000 0.194 311 D C 2.107 178.345 176.300 -0.103 0.000 0.994 311 D CA 0.880 54.840 54.000 -0.067 0.000 0.830 311 D CB -0.327 40.418 40.800 -0.092 0.000 0.959 311 D HN 0.180 8.550 8.370 -0.000 0.000 0.452 312 R N 0.214 120.628 120.500 -0.144 0.000 2.073 312 R HA -0.046 4.283 4.340 -0.019 0.000 0.234 312 R C 2.149 178.335 176.300 -0.190 0.000 1.134 312 R CA 0.694 56.635 56.100 -0.266 0.000 0.952 312 R CB -0.421 29.639 30.300 -0.400 0.000 0.850 312 R HN 0.200 8.470 8.270 -0.000 0.000 0.433 313 M N 0.604 120.197 119.600 -0.012 0.000 2.229 313 M HA -0.137 4.331 4.480 -0.019 0.000 0.264 313 M C 2.064 178.396 176.300 0.054 0.000 1.063 313 M CA 1.282 56.635 55.300 0.089 0.000 1.114 313 M CB -0.682 32.025 32.600 0.178 0.000 1.387 313 M HN 0.094 8.384 8.290 -0.000 0.000 0.420 314 Q N 0.380 120.189 119.800 0.016 0.000 2.030 314 Q HA -0.169 4.159 4.340 -0.019 0.000 0.204 314 Q C 1.921 177.916 176.000 -0.009 0.000 0.986 314 Q CA 1.400 57.210 55.803 0.012 0.000 0.843 314 Q CB -0.091 28.641 28.738 -0.010 0.000 0.904 314 Q HN 0.284 8.554 8.270 -0.000 0.000 0.420 315 K N 0.432 120.799 120.400 -0.056 0.000 2.296 315 K HA -0.028 4.281 4.320 -0.019 0.000 0.200 315 K C 1.806 178.352 176.600 -0.089 0.000 1.048 315 K CA 0.367 56.608 56.287 -0.078 0.000 0.966 315 K CB 0.175 32.608 32.500 -0.113 0.000 0.754 315 K HN 0.198 8.448 8.250 -0.000 0.000 0.466 316 E N 0.722 120.862 120.200 -0.099 0.000 2.072 316 E HA -0.094 4.245 4.350 -0.019 0.000 0.190 316 E C 1.997 178.614 176.600 0.030 0.000 0.982 316 E CA 0.969 57.304 56.400 -0.107 0.000 0.803 316 E CB 0.054 29.649 29.700 -0.175 0.000 0.755 316 E HN 0.445 8.805 8.360 -0.000 0.000 0.453 317 I N -1.168 119.459 120.570 0.096 0.000 3.030 317 I HA -0.039 4.120 4.170 -0.019 0.000 0.270 317 I C 2.192 178.364 176.117 0.092 0.000 1.211 317 I CA 0.941 62.340 61.300 0.164 0.000 1.479 317 I CB -0.528 37.642 38.000 0.283 0.000 1.105 317 I HN -0.145 8.065 8.210 -0.000 0.000 0.447 318 T N 0.926 115.498 114.554 0.030 0.000 2.684 318 T HA -0.112 4.227 4.350 -0.019 0.000 0.267 318 T C 1.930 176.609 174.700 -0.034 0.000 1.036 318 T CA 1.379 63.468 62.100 -0.019 0.000 1.148 318 T CB -0.795 68.055 68.868 -0.030 0.000 0.863 318 T HN 0.464 8.704 8.240 -0.000 0.000 0.436 319 A N 0.033 122.832 122.820 -0.035 0.000 2.255 319 A HA 0.481 4.790 4.320 -0.019 0.000 0.206 319 A C 1.991 179.539 177.584 -0.060 0.000 1.193 319 A CA 0.308 52.316 52.037 -0.047 0.000 0.794 319 A CB -0.700 18.266 19.000 -0.057 0.000 0.794 319 A HN 0.581 8.731 8.150 -0.000 0.000 0.481 320 L N -2.183 119.005 121.223 -0.059 0.000 2.803 320 L HA 0.349 4.678 4.340 -0.019 0.000 0.246 320 L C 1.171 178.018 176.870 -0.039 0.000 1.100 320 L CA 0.223 54.966 54.840 -0.162 0.000 0.919 320 L CB 0.252 42.089 42.059 -0.370 0.000 1.285 320 L HN 0.350 8.580 8.230 -0.000 0.000 0.522 321 A N 0.890 123.741 122.820 0.052 0.000 2.340 321 A HA 0.513 4.822 4.320 -0.019 0.000 0.268 321 A C -2.323 175.226 177.584 -0.058 0.000 1.100 321 A CA -1.079 50.966 52.037 0.013 0.000 0.803 321 A CB -0.329 18.460 19.000 -0.352 0.000 1.043 321 A HN -0.029 8.121 8.150 -0.000 0.000 0.488 322 P HA 0.116 4.536 4.420 -0.000 0.000 0.263 322 P C 0.631 177.886 177.300 -0.076 0.000 1.195 322 P CA 0.175 63.253 63.100 -0.036 0.000 0.762 322 P CB 0.709 32.405 31.700 -0.007 0.000 0.799 323 S N 1.425 117.094 115.700 -0.051 0.000 2.462 323 S HA -0.146 4.313 4.470 -0.019 0.000 0.243 323 S C 1.580 176.149 174.600 -0.051 0.000 1.003 323 S CA 1.768 59.936 58.200 -0.053 0.000 0.970 323 S CB -0.966 62.213 63.200 -0.035 0.000 0.762 323 S HN 0.691 9.001 8.310 -0.000 0.000 0.510 324 T N -0.988 113.539 114.554 -0.045 0.000 3.098 324 T HA 0.150 4.489 4.350 -0.019 0.000 0.266 324 T C 0.415 175.088 174.700 -0.046 0.000 1.145 324 T CA 0.373 62.454 62.100 -0.033 0.000 1.092 324 T CB -0.259 68.599 68.868 -0.017 0.000 0.908 324 T HN 0.168 8.408 8.240 -0.000 0.000 0.526 325 M N 1.632 121.177 119.600 -0.091 0.000 2.367 325 M HA 0.448 4.916 4.480 -0.019 0.000 0.339 325 M C -0.338 175.901 176.300 -0.101 0.000 1.177 325 M CA -0.908 54.316 55.300 -0.128 0.000 1.068 325 M CB 1.581 33.989 32.600 -0.320 0.000 1.602 325 M HN -0.047 8.243 8.290 -0.000 0.000 0.457 326 K N 3.180 123.549 120.400 -0.051 0.000 2.211 326 K HA 0.491 4.799 4.320 -0.019 0.000 0.275 326 K C -1.455 175.154 176.600 0.015 0.000 1.024 326 K CA -0.560 55.720 56.287 -0.013 0.000 0.887 326 K CB 0.677 33.188 32.500 0.018 0.000 1.084 326 K HN 0.581 8.831 8.250 -0.000 0.000 0.463 327 I N 3.749 124.326 120.570 0.012 0.000 2.488 327 I HA 0.338 4.497 4.170 -0.019 0.000 0.299 327 I C -0.521 175.641 176.117 0.074 0.000 0.984 327 I CA -0.167 61.176 61.300 0.072 0.000 1.250 327 I CB 1.460 39.481 38.000 0.035 0.000 1.389 327 I HN 0.574 8.784 8.210 -0.000 0.000 0.488 328 K N 6.415 126.873 120.400 0.097 0.000 2.635 328 K HA 0.392 4.701 4.320 -0.019 0.000 0.266 328 K C -1.880 174.759 176.600 0.065 0.000 1.033 328 K CA -0.462 55.864 56.287 0.065 0.000 0.919 328 K CB 0.868 33.400 32.500 0.052 0.000 1.289 328 K HN 0.338 8.588 8.250 -0.000 0.000 0.463 329 I N 6.056 126.658 120.570 0.054 0.000 2.282 329 I HA 0.248 4.407 4.170 -0.019 0.000 0.290 329 I C -0.051 176.086 176.117 0.033 0.000 1.090 329 I CA -0.741 60.590 61.300 0.051 0.000 1.231 329 I CB -0.023 38.011 38.000 0.056 0.000 1.434 329 I HN 0.471 8.681 8.210 -0.000 0.000 0.487 330 I N 5.287 125.874 120.570 0.028 0.000 2.371 330 I HA 0.443 4.602 4.170 -0.019 0.000 0.290 330 I C 0.653 176.778 176.117 0.013 0.000 1.028 330 I CA 0.163 61.472 61.300 0.015 0.000 1.345 330 I CB 1.331 39.337 38.000 0.010 0.000 1.407 330 I HN 0.656 8.866 8.210 -0.000 0.000 0.501 331 A N 7.739 130.562 122.820 0.006 0.000 2.702 331 A HA 0.748 5.057 4.320 -0.019 0.000 0.305 331 A C -2.549 175.028 177.584 -0.011 0.000 1.213 331 A CA -1.222 50.814 52.037 -0.001 0.000 0.745 331 A CB -0.185 18.816 19.000 0.002 0.000 1.161 331 A HN 0.459 8.609 8.150 -0.000 0.000 0.445 332 P HA 0.276 4.696 4.420 -0.000 0.000 0.274 332 P C -1.736 175.549 177.300 -0.026 0.000 1.246 332 P CA -1.231 61.859 63.100 -0.016 0.000 0.795 332 P CB 0.840 32.532 31.700 -0.012 0.000 1.006 333 P HA -0.119 4.301 4.420 -0.000 0.000 0.218 333 P C 0.407 177.678 177.300 -0.048 0.000 1.152 333 P CA 1.474 64.555 63.100 -0.033 0.000 0.826 333 P CB 0.118 31.807 31.700 -0.019 0.000 0.790 334 E N 0.677 120.860 120.200 -0.028 0.000 2.512 334 E HA -0.075 4.264 4.350 -0.019 0.000 0.195 334 E C 1.903 178.456 176.600 -0.078 0.000 1.083 334 E CA 0.070 56.450 56.400 -0.034 0.000 0.873 334 E CB -1.137 28.593 29.700 0.051 0.000 0.897 334 E HN 0.410 8.770 8.360 -0.000 0.000 0.514 335 R N 2.337 122.792 120.500 -0.074 0.000 2.204 335 R HA -0.297 4.031 4.340 -0.019 0.000 0.253 335 R C 1.550 177.777 176.300 -0.123 0.000 1.172 335 R CA 1.911 57.968 56.100 -0.072 0.000 0.994 335 R CB -0.782 29.482 30.300 -0.061 0.000 0.874 335 R HN 0.368 8.638 8.270 -0.000 0.000 0.462 336 K N -0.609 119.635 120.400 -0.259 0.000 2.360 336 K HA -0.126 4.182 4.320 -0.019 0.000 0.201 336 K C 0.188 176.563 176.600 -0.375 0.000 1.046 336 K CA 1.186 57.257 56.287 -0.360 0.000 0.945 336 K CB -0.006 32.178 32.500 -0.527 0.000 0.750 336 K HN 0.322 8.572 8.250 -0.000 0.000 0.464 337 Y N 0.777 121.096 120.300 0.032 0.000 2.696 337 Y HA 0.351 4.890 4.550 -0.019 0.000 0.260 337 Y C 1.503 177.484 175.900 0.135 0.000 1.165 337 Y CA -1.359 56.795 58.100 0.091 0.000 1.189 337 Y CB 0.413 38.920 38.460 0.079 0.000 1.180 337 Y HN -0.005 8.275 8.280 -0.000 0.000 0.538 338 S N 0.030 115.824 115.700 0.157 0.000 2.359 338 S HA -0.192 4.266 4.470 -0.019 0.000 0.223 338 S C 2.248 176.925 174.600 0.129 0.000 1.039 338 S CA 1.917 60.187 58.200 0.116 0.000 1.042 338 S CB -0.440 62.794 63.200 0.056 0.000 0.915 338 S HN 0.298 8.608 8.310 -0.000 0.000 0.439 339 V N -0.043 119.951 119.914 0.132 0.000 2.250 339 V HA -0.259 3.850 4.120 -0.019 0.000 0.250 339 V C 1.836 178.003 176.094 0.121 0.000 1.060 339 V CA 2.233 64.601 62.300 0.112 0.000 1.030 339 V CB -0.729 31.166 31.823 0.119 0.000 0.643 339 V HN 0.709 8.899 8.190 -0.000 0.000 0.445 340 W N 0.075 121.414 121.300 0.065 0.000 2.381 340 W HA -0.090 4.558 4.660 -0.020 0.000 0.301 340 W C 2.248 178.785 176.519 0.029 0.000 1.205 340 W CA 1.543 58.910 57.345 0.037 0.000 1.285 340 W CB -0.124 29.352 29.460 0.026 0.000 1.133 340 W HN 0.176 8.356 8.180 -0.000 0.000 0.521 341 I N 0.216 120.932 120.570 0.243 0.000 2.315 341 I HA -0.161 3.998 4.170 -0.019 0.000 0.248 341 I C 2.616 178.701 176.117 -0.054 0.000 1.117 341 I CA 1.443 62.827 61.300 0.139 0.000 1.404 341 I CB -1.175 36.955 38.000 0.216 0.000 1.071 341 I HN 0.133 8.343 8.210 -0.000 0.000 0.419 342 G N 0.465 109.251 108.800 -0.022 0.000 2.432 342 G HA2 -0.179 3.770 3.960 -0.019 0.000 0.219 342 G HA3 -0.179 3.770 3.960 -0.019 0.000 0.219 342 G C 1.686 176.561 174.900 -0.041 0.000 1.135 342 G CA 0.841 45.950 45.100 0.014 0.000 0.767 342 G HN 0.502 8.792 8.290 -0.000 0.000 0.550 343 G N 0.108 108.781 108.800 -0.211 0.000 2.408 343 G HA2 -0.103 3.846 3.960 -0.019 0.000 0.215 343 G HA3 -0.103 3.846 3.960 -0.019 0.000 0.215 343 G C 2.017 176.656 174.900 -0.435 0.000 1.156 343 G CA 1.324 46.219 45.100 -0.342 0.000 0.793 343 G HN 0.444 8.734 8.290 -0.000 0.000 0.535 344 S N 0.048 115.416 115.700 -0.554 0.000 2.368 344 S HA -0.057 4.402 4.470 -0.019 0.000 0.225 344 S C 2.366 176.836 174.600 -0.217 0.000 1.030 344 S CA 1.008 58.930 58.200 -0.464 0.000 0.999 344 S CB -0.246 62.653 63.200 -0.503 0.000 0.844 344 S HN 0.357 8.667 8.310 -0.000 0.000 0.459 345 I N 0.825 121.304 120.570 -0.153 0.000 2.090 345 I HA -0.159 3.999 4.170 -0.019 0.000 0.236 345 I C 2.320 178.401 176.117 -0.060 0.000 1.064 345 I CA 1.110 62.370 61.300 -0.066 0.000 1.324 345 I CB -0.400 37.562 38.000 -0.063 0.000 1.044 345 I HN 0.317 8.527 8.210 -0.000 0.000 0.399 346 L N 1.108 122.291 121.223 -0.067 0.000 2.013 346 L HA -0.220 4.109 4.340 -0.019 0.000 0.212 346 L C 2.380 178.873 176.870 -0.628 0.000 1.073 346 L CA 2.372 57.032 54.840 -0.299 0.000 0.753 346 L CB -0.697 41.081 42.059 -0.468 0.000 0.890 346 L HN 0.230 8.460 8.230 -0.000 0.000 0.432 347 A N -1.468 120.978 122.820 -0.623 0.000 2.067 347 A HA -0.067 4.242 4.320 -0.019 0.000 0.217 347 A C 2.322 179.869 177.584 -0.062 0.000 1.156 347 A CA 1.231 52.942 52.037 -0.544 0.000 0.683 347 A CB -0.752 18.092 19.000 -0.260 0.000 0.808 347 A HN 0.648 8.798 8.150 -0.000 0.000 0.455 348 S N -0.829 114.839 115.700 -0.055 0.000 2.501 348 S HA 0.212 4.671 4.470 -0.019 0.000 0.220 348 S C 0.721 175.356 174.600 0.059 0.000 0.997 348 S CA -0.301 57.926 58.200 0.046 0.000 0.919 348 S CB -0.365 62.852 63.200 0.029 0.000 0.778 348 S HN 0.278 8.588 8.310 -0.000 0.000 0.523 349 L N 3.083 124.319 121.223 0.022 0.000 2.514 349 L HA 0.109 4.437 4.340 -0.019 0.000 0.280 349 L C 1.343 178.275 176.870 0.103 0.000 1.223 349 L CA 0.453 55.325 54.840 0.053 0.000 0.864 349 L CB 0.348 42.429 42.059 0.037 0.000 1.118 349 L HN 0.354 8.584 8.230 -0.000 0.000 0.494 350 S N 1.593 117.339 115.700 0.077 0.000 2.383 350 S HA -0.158 4.300 4.470 -0.019 0.000 0.229 350 S C 1.422 176.063 174.600 0.069 0.000 1.030 350 S CA 1.887 60.129 58.200 0.070 0.000 1.002 350 S CB -0.278 62.950 63.200 0.048 0.000 0.829 350 S HN 0.873 9.183 8.310 -0.000 0.000 0.467 351 T N -0.764 113.828 114.554 0.063 0.000 3.107 351 T HA 0.257 4.596 4.350 -0.019 0.000 0.249 351 T C 1.064 175.773 174.700 0.015 0.000 1.096 351 T CA -0.138 61.983 62.100 0.034 0.000 1.012 351 T CB -0.307 68.571 68.868 0.016 0.000 0.977 351 T HN 0.336 8.576 8.240 -0.000 0.000 0.527 352 F N 1.814 121.684 119.950 -0.133 0.000 2.615 352 F HA 0.222 4.737 4.527 -0.020 0.000 0.297 352 F C 2.403 178.040 175.800 -0.272 0.000 1.124 352 F CA 0.112 57.937 58.000 -0.291 0.000 1.451 352 F CB -0.117 38.645 39.000 -0.397 0.000 1.103 352 F HN 0.025 8.325 8.300 -0.000 0.000 0.569 353 Q N 0.700 120.489 119.800 -0.019 0.000 2.112 353 Q HA -0.224 4.105 4.340 -0.019 0.000 0.206 353 Q C 1.775 177.780 176.000 0.009 0.000 0.987 353 Q CA 1.875 57.773 55.803 0.159 0.000 0.858 353 Q CB -0.254 28.584 28.738 0.167 0.000 0.905 353 Q HN 0.541 8.811 8.270 -0.000 0.000 0.420 354 Q N -0.988 118.744 119.800 -0.112 0.000 2.515 354 Q HA -0.068 4.261 4.340 -0.019 0.000 0.212 354 Q C 1.073 176.938 176.000 -0.224 0.000 0.970 354 Q CA 0.595 56.328 55.803 -0.116 0.000 0.941 354 Q CB -0.175 28.514 28.738 -0.082 0.000 0.998 354 Q HN 0.355 8.625 8.270 -0.000 0.000 0.518 355 M N -1.314 117.965 119.600 -0.535 0.000 2.382 355 M HA 0.197 4.666 4.480 -0.019 0.000 0.247 355 M C -0.441 175.568 176.300 -0.485 0.000 1.104 355 M CA -0.167 54.794 55.300 -0.567 0.000 1.030 355 M CB 0.179 32.284 32.600 -0.824 0.000 1.424 355 M HN 0.079 8.369 8.290 -0.000 0.000 0.486 356 W N 1.951 122.959 121.300 -0.486 0.000 2.443 356 W HA 0.013 4.662 4.660 -0.018 0.000 0.335 356 W C -0.048 176.492 176.519 0.035 0.000 1.382 356 W CA -0.544 56.709 57.345 -0.154 0.000 1.305 356 W CB 0.080 29.488 29.460 -0.088 0.000 1.283 356 W HN -0.054 8.126 8.180 -0.000 0.000 0.567 357 I N 4.675 125.521 120.570 0.460 0.000 2.436 357 I HA 0.010 4.168 4.170 -0.019 0.000 0.289 357 I C 1.035 177.400 176.117 0.413 0.000 1.083 357 I CA -0.284 61.240 61.300 0.373 0.000 1.372 357 I CB -0.736 37.503 38.000 0.400 0.000 1.408 357 I HN 0.327 8.537 8.210 -0.000 0.000 0.516 358 T N 3.246 117.920 114.554 0.200 0.000 2.918 358 T HA 0.309 4.648 4.350 -0.019 0.000 0.283 358 T C 1.193 175.804 174.700 -0.148 0.000 1.001 358 T CA -0.832 61.327 62.100 0.100 0.000 1.041 358 T CB 1.361 70.254 68.868 0.043 0.000 1.028 358 T HN 0.521 8.761 8.240 -0.000 0.000 0.511 359 K N 0.562 120.819 120.400 -0.239 0.000 2.228 359 K HA -0.209 4.099 4.320 -0.019 0.000 0.205 359 K C 2.038 178.526 176.600 -0.187 0.000 1.045 359 K CA 1.291 57.352 56.287 -0.375 0.000 0.931 359 K CB -0.556 31.861 32.500 -0.138 0.000 0.727 359 K HN 0.573 8.823 8.250 -0.000 0.000 0.458 360 Q N 1.156 120.895 119.800 -0.102 0.000 1.967 360 Q HA -0.178 4.151 4.340 -0.019 0.000 0.202 360 Q C 1.946 177.904 176.000 -0.070 0.000 0.985 360 Q CA 1.971 57.734 55.803 -0.067 0.000 0.839 360 Q CB -0.207 28.509 28.738 -0.038 0.000 0.906 360 Q HN 0.494 8.764 8.270 -0.000 0.000 0.423 361 E N -0.371 119.802 120.200 -0.046 0.000 2.086 361 E HA -0.234 4.105 4.350 -0.019 0.000 0.200 361 E C 1.770 178.354 176.600 -0.027 0.000 1.012 361 E CA 1.858 58.248 56.400 -0.017 0.000 0.812 361 E CB -0.436 29.286 29.700 0.036 0.000 0.743 361 E HN 0.377 8.737 8.360 -0.000 0.000 0.453 362 Y N 1.677 121.823 120.300 -0.257 0.000 2.109 362 Y HA -0.208 4.331 4.550 -0.019 0.000 0.285 362 Y C 1.775 177.564 175.900 -0.184 0.000 1.131 362 Y CA 1.859 59.792 58.100 -0.277 0.000 1.121 362 Y CB -0.336 37.721 38.460 -0.671 0.000 0.987 362 Y HN 0.010 8.290 8.280 -0.000 0.000 0.495 363 D N 0.065 120.302 120.400 -0.271 0.000 2.271 363 D HA -0.183 4.446 4.640 -0.019 0.000 0.207 363 D C 1.737 177.899 176.300 -0.230 0.000 0.983 363 D CA 1.683 55.517 54.000 -0.276 0.000 0.878 363 D CB -0.084 40.637 40.800 -0.131 0.000 0.920 363 D HN 0.621 8.991 8.370 -0.000 0.000 0.479 364 E N -0.520 119.575 120.200 -0.175 0.000 2.216 364 E HA 0.148 4.486 4.350 -0.019 0.000 0.192 364 E C 1.619 178.148 176.600 -0.120 0.000 0.973 364 E CA 0.368 56.694 56.400 -0.124 0.000 0.851 364 E CB 0.401 30.054 29.700 -0.078 0.000 0.804 364 E HN 0.136 8.496 8.360 -0.000 0.000 0.477 365 A N 0.559 123.304 122.820 -0.126 0.000 2.382 365 A HA 0.488 4.797 4.320 -0.019 0.000 0.228 365 A C 0.950 178.483 177.584 -0.086 0.000 1.217 365 A CA 0.542 52.534 52.037 -0.076 0.000 0.923 365 A CB 0.297 19.289 19.000 -0.013 0.000 0.979 365 A HN 0.232 8.382 8.150 -0.000 0.000 0.515 366 G N -0.360 108.309 108.800 -0.219 0.000 2.829 366 G HA2 -0.140 3.808 3.960 -0.019 0.000 0.628 366 G HA3 -0.140 3.808 3.960 -0.019 0.000 0.628 366 G C -1.612 173.327 174.900 0.064 0.000 1.412 366 G CA -0.268 44.698 45.100 -0.223 0.000 0.864 366 G HN 0.059 8.349 8.290 -0.000 0.000 0.544 367 P HA -0.001 4.419 4.420 -0.000 0.000 0.223 367 P C 2.012 179.469 177.300 0.261 0.000 1.144 367 P CA 1.566 64.916 63.100 0.417 0.000 0.783 367 P CB 0.050 31.932 31.700 0.304 0.000 0.771 368 S N -0.636 115.173 115.700 0.181 0.000 2.374 368 S HA -0.217 4.242 4.470 -0.019 0.000 0.227 368 S C 1.740 176.445 174.600 0.175 0.000 1.037 368 S CA 1.121 59.424 58.200 0.172 0.000 1.024 368 S CB -1.036 62.227 63.200 0.106 0.000 0.861 368 S HN 0.048 8.358 8.310 -0.000 0.000 0.456 369 I N 0.941 121.605 120.570 0.156 0.000 2.113 369 I HA -0.156 4.003 4.170 -0.019 0.000 0.242 369 I C 2.177 178.372 176.117 0.130 0.000 1.057 369 I CA 1.609 62.989 61.300 0.133 0.000 1.314 369 I CB -0.594 37.496 38.000 0.150 0.000 1.022 369 I HN 0.230 8.440 8.210 -0.000 0.000 0.408 370 V N -0.490 119.530 119.914 0.176 0.000 2.951 370 V HA -0.192 3.917 4.120 -0.019 0.000 0.255 370 V C 2.450 178.585 176.094 0.067 0.000 1.088 370 V CA 1.650 64.026 62.300 0.126 0.000 1.109 370 V CB -0.886 31.036 31.823 0.165 0.000 0.724 370 V HN 0.724 8.914 8.190 -0.000 0.000 0.471 371 H N 1.496 120.599 119.070 0.055 0.000 2.457 371 H HA -0.014 4.530 4.556 -0.020 0.000 0.297 371 H C 1.398 176.738 175.328 0.020 0.000 1.092 371 H CA 1.539 57.608 56.048 0.035 0.000 1.309 371 H CB -0.166 29.625 29.762 0.049 0.000 1.382 371 H HN 0.584 8.864 8.280 -0.000 0.000 0.535 372 R N 0.000 120.337 120.500 -0.272 0.000 2.786 372 R HA 0.000 4.329 4.340 -0.019 0.000 0.208 372 R CA 0.000 55.960 56.100 -0.234 0.000 0.921 372 R CB 0.000 30.189 30.300 -0.185 0.000 0.687 372 R HN 0.000 8.270 8.270 -0.000 0.000 0.535