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 1wua_1_A DATA FIRST_RESID 5 DATA SEQUENCE TTALVCDNGS GLVKAGFAGD DAPRAVFPSI VGRPRHQXXX XXXXXXDSYV DATA SEQUENCE GDEAQSKRGI LTLKYPIEXG IITNWDDMEK IWHHTFYNEL RVAPEEHPTL DATA SEQUENCE LTEAPLNPKA NREKMTQIMF ETFNVPAMYV AIQAVLSLYA SGRTTGIVLD DATA SEQUENCE SGDGVTHNVP IYEGYALPHA IMRLDLAGRD LTDYLMKILT ERGYSFVTTA DATA SEQUENCE EREIVRDIKE KLCYVALDFE NEMATAASSS SLEKSYELPD GQVITIGNER DATA SEQUENCE FRCPETLFQP SFIGMESAGI HETTYNSIMK CDIDIRKDLY ANNVMSGGTT DATA SEQUENCE MYPGIADRMQ KEITALAPST MKIKIIAPPE RKYSVWIGGS ILASLSTFQQ DATA SEQUENCE MWITKQEYDE AGPSIVH 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 5 T HA 0.000 4.326 4.350 -0.040 0.000 0.228 5 T C 0.000 174.730 174.700 0.051 0.000 1.109 5 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 5 T CB 0.000 68.811 68.868 -0.094 0.000 0.612 6 T N 1.840 116.483 114.554 0.150 0.000 2.869 6 T HA 0.212 4.670 4.350 0.180 0.000 0.295 6 T C -0.627 174.265 174.700 0.320 0.000 0.987 6 T CA -0.285 61.963 62.100 0.247 0.000 1.109 6 T CB 0.768 69.797 68.868 0.268 0.000 0.932 6 T HN -0.028 8.312 8.240 0.167 0.000 0.518 7 A N 5.342 128.306 122.820 0.239 0.000 2.293 7 A HA 0.642 5.170 4.320 0.101 -0.148 0.302 7 A C -1.003 176.702 177.584 0.202 0.000 1.119 7 A CA -1.314 50.835 52.037 0.187 0.000 0.823 7 A CB 1.719 20.889 19.000 0.284 0.000 1.097 7 A HN 0.378 8.665 8.150 0.228 0.000 0.491 8 L N -0.276 121.015 121.223 0.114 0.000 2.334 8 L HA 0.738 5.228 4.340 -0.004 -0.152 0.272 8 L C -0.531 176.378 176.870 0.067 0.000 1.020 8 L CA -1.344 53.516 54.840 0.034 0.000 0.812 8 L CB 2.320 44.366 42.059 -0.023 0.000 1.264 8 L HN 0.424 8.704 8.230 0.083 0.000 0.439 9 V N -0.550 119.383 119.914 0.032 0.000 2.483 9 V HA 0.577 4.861 4.120 -0.029 -0.182 0.297 9 V C -1.455 174.707 176.094 0.114 0.000 1.027 9 V CA -1.261 61.014 62.300 -0.043 0.000 0.855 9 V CB 2.373 33.911 31.823 -0.474 0.000 0.995 9 V HN 0.315 8.540 8.190 0.058 0.000 0.424 10 C N 8.530 127.877 119.300 0.077 0.000 2.344 10 C HA 0.376 5.231 4.460 0.184 -0.285 0.326 10 C C -2.271 172.806 174.990 0.145 0.000 1.201 10 C CA -2.532 56.563 59.018 0.128 0.000 1.410 10 C CB 2.444 30.216 27.740 0.054 0.000 2.070 10 C HN 0.803 9.057 8.230 0.041 0.000 0.445 11 D N 8.589 129.100 120.400 0.185 0.000 2.359 11 D HA 0.290 5.000 4.640 0.116 0.000 0.230 11 D C -1.328 175.020 176.300 0.079 0.000 1.118 11 D CA -1.580 52.503 54.000 0.139 0.000 0.844 11 D CB 1.380 42.293 40.800 0.188 0.000 1.059 11 D HN 0.679 9.197 8.370 0.247 0.000 0.493 12 N N 7.683 126.436 118.700 0.090 0.000 2.968 12 N HA 0.032 4.773 4.740 0.001 0.000 0.271 12 N C -0.553 174.950 175.510 -0.011 0.000 1.174 12 N CA 0.260 53.335 53.050 0.042 0.000 1.096 12 N CB -0.461 38.099 38.487 0.121 0.000 1.403 12 N HN -0.397 8.051 8.380 0.114 0.000 0.522 13 G N -1.170 107.603 108.800 -0.045 0.000 2.507 13 G HA2 0.192 4.146 3.960 -0.010 0.000 0.271 13 G HA3 0.192 4.250 3.960 -0.034 -0.118 0.271 13 G C 0.113 174.982 174.900 -0.052 0.000 1.189 13 G CA -1.536 43.542 45.100 -0.035 0.000 0.859 13 G HN -0.815 7.432 8.290 -0.071 0.000 0.542 14 S N 2.361 118.044 115.700 -0.029 0.000 2.399 14 S HA -0.396 4.183 4.470 -0.031 -0.127 0.231 14 S C 1.683 176.275 174.600 -0.015 0.000 1.022 14 S CA 2.789 60.974 58.200 -0.024 0.000 0.983 14 S CB 0.172 63.362 63.200 -0.017 0.000 0.803 14 S HN 0.438 8.739 8.310 -0.015 0.000 0.480 15 G N -1.309 107.478 108.800 -0.022 0.000 2.645 15 G HA2 0.077 4.042 3.960 0.009 0.000 0.207 15 G HA3 0.077 4.030 3.960 -0.012 0.000 0.207 15 G C -1.657 173.218 174.900 -0.041 0.000 1.145 15 G CA 0.463 45.555 45.100 -0.013 0.000 0.831 15 G HN -0.299 7.960 8.290 -0.025 0.016 0.563 16 L N -0.265 120.913 121.223 -0.076 0.000 2.408 16 L HA 0.540 4.950 4.340 -0.181 -0.179 0.268 16 L C -0.789 175.940 176.870 -0.235 0.000 0.986 16 L CA -1.249 53.502 54.840 -0.148 0.000 0.820 16 L CB 3.749 45.763 42.059 -0.076 0.000 1.303 16 L HN -0.570 7.623 8.230 -0.062 0.000 0.411 17 V N 4.667 124.280 119.914 -0.501 0.000 2.488 17 V HA 0.183 4.289 4.120 -0.318 -0.177 0.277 17 V C -0.823 175.004 176.094 -0.446 0.000 1.046 17 V CA -0.049 61.920 62.300 -0.552 0.000 0.986 17 V CB 0.350 31.562 31.823 -1.017 0.000 0.989 17 V HN 0.546 8.321 8.190 -0.691 0.000 0.475 18 K N 7.441 127.721 120.400 -0.200 0.000 2.307 18 K HA 0.679 4.983 4.320 -0.304 -0.166 0.263 18 K C -1.854 174.699 176.600 -0.077 0.000 0.973 18 K CA -1.669 54.500 56.287 -0.197 0.000 0.846 18 K CB 1.526 33.967 32.500 -0.098 0.000 1.100 18 K HN -0.002 8.185 8.250 -0.104 0.000 0.438 19 A N 3.931 126.631 122.820 -0.199 0.000 2.498 19 A HA 1.106 5.781 4.320 0.243 -0.210 0.298 19 A C -1.958 175.540 177.584 -0.142 0.000 1.075 19 A CA -2.248 49.785 52.037 -0.007 0.000 0.714 19 A CB 4.275 23.266 19.000 -0.015 0.000 1.299 19 A HN 0.668 8.639 8.150 -0.299 0.000 0.407 20 G N -1.626 107.223 108.800 0.083 0.000 2.356 20 G HA2 0.249 3.931 3.960 -0.464 0.000 0.281 20 G HA3 0.249 4.207 3.960 -0.004 0.000 0.281 20 G C -2.927 171.923 174.900 -0.083 0.000 1.246 20 G CA 0.775 45.807 45.100 -0.113 0.000 0.889 20 G HN -0.131 8.292 8.290 0.222 0.000 0.486 21 F N 0.042 120.226 119.950 0.389 0.000 2.444 21 F HA 0.604 5.369 4.527 0.158 -0.143 0.342 21 F C -0.219 175.724 175.800 0.237 0.000 1.121 21 F CA -1.848 56.288 58.000 0.227 0.000 0.997 21 F CB 2.607 41.682 39.000 0.125 0.000 1.130 21 F HN -0.067 8.523 8.300 0.483 0.000 0.454 22 A N 3.416 126.391 122.820 0.259 0.000 2.546 22 A HA -0.316 3.974 4.320 -0.049 0.000 0.243 22 A C 0.190 177.864 177.584 0.149 0.000 1.063 22 A CA 1.237 53.333 52.037 0.099 0.000 0.757 22 A CB -0.290 18.767 19.000 0.095 0.000 0.991 22 A HN 0.235 8.532 8.150 0.245 0.000 0.503 23 G N 4.478 113.333 108.800 0.091 0.000 2.279 23 G HA2 -0.302 3.696 3.960 0.064 0.000 0.223 23 G HA3 -0.302 3.720 3.960 0.103 0.000 0.223 23 G C -0.359 174.632 174.900 0.152 0.000 1.015 23 G CA -0.083 45.078 45.100 0.102 0.000 0.621 23 G HN 0.338 8.643 8.290 0.025 0.000 0.506 24 D N 2.308 122.866 120.400 0.262 0.000 2.357 24 D HA 0.168 4.925 4.640 0.196 0.000 0.242 24 D C -0.354 176.151 176.300 0.341 0.000 1.153 24 D CA -0.799 53.374 54.000 0.289 0.000 0.918 24 D CB 0.720 41.734 40.800 0.357 0.000 1.181 24 D HN -0.568 7.932 8.370 0.324 0.064 0.435 25 D N 0.832 121.369 120.400 0.229 0.000 2.323 25 D HA -0.115 4.666 4.640 0.235 0.000 0.209 25 D C -1.086 175.358 176.300 0.240 0.000 0.973 25 D CA 1.664 55.795 54.000 0.218 0.000 0.874 25 D CB 0.441 41.315 40.800 0.123 0.000 0.930 25 D HN 0.483 8.952 8.370 0.165 0.000 0.521 26 A N -2.096 120.767 122.820 0.072 0.000 2.594 26 A HA 0.312 4.494 4.320 -0.230 0.000 0.295 26 A C -3.155 173.829 177.584 -1.000 0.000 1.071 26 A CA -2.333 49.517 52.037 -0.312 0.000 0.685 26 A CB 2.027 20.906 19.000 -0.202 0.000 1.285 26 A HN -0.682 7.466 8.150 0.058 0.037 0.405 27 P HA 0.062 3.213 4.420 -2.114 0.000 0.271 27 P C -0.674 176.156 177.300 -0.784 0.000 1.220 27 P CA -0.558 61.524 63.100 -1.696 0.000 0.768 27 P CB 0.960 31.635 31.700 -1.708 0.000 0.848 28 R N 4.615 124.824 120.500 -0.484 0.000 2.148 28 R HA -0.169 4.060 4.340 -0.186 0.000 0.223 28 R C -0.127 176.061 176.300 -0.187 0.000 1.088 28 R CA 1.417 57.385 56.100 -0.220 0.000 0.985 28 R CB 0.556 30.826 30.300 -0.049 0.000 0.880 28 R HN 0.237 8.227 8.270 -0.467 0.000 0.451 29 A N -1.463 121.225 122.820 -0.220 0.000 2.343 29 A HA 0.349 4.664 4.320 -0.008 0.000 0.308 29 A C -2.476 175.057 177.584 -0.084 0.000 1.092 29 A CA -1.080 50.925 52.037 -0.053 0.000 0.751 29 A CB 2.708 21.744 19.000 0.061 0.000 1.203 29 A HN -0.270 7.666 8.150 -0.312 0.028 0.452 30 V N 3.148 123.065 119.914 0.005 0.000 2.524 30 V HA 0.998 5.259 4.120 -0.175 -0.246 0.297 30 V C -0.821 175.341 176.094 0.114 0.000 1.035 30 V CA -1.216 61.048 62.300 -0.060 0.000 0.867 30 V CB 1.995 33.759 31.823 -0.098 0.000 1.004 30 V HN 0.247 8.474 8.190 0.061 0.000 0.426 31 F N 3.594 123.536 119.950 -0.013 0.000 2.668 31 F HA 0.642 5.172 4.527 0.006 0.000 0.309 31 F C -3.499 172.298 175.800 -0.006 0.000 1.117 31 F CA -3.501 54.501 58.000 0.003 0.000 0.951 31 F CB 1.195 40.212 39.000 0.030 0.000 1.323 31 F HN 0.254 8.269 8.300 -0.474 0.000 0.451 32 P HA 0.211 4.824 4.420 0.001 -0.193 0.268 32 P C -0.152 177.184 177.300 0.060 0.000 1.205 32 P CA -0.478 62.661 63.100 0.065 0.000 0.771 32 P CB 0.334 32.085 31.700 0.084 0.000 0.858 33 S N 4.768 120.447 115.700 -0.036 0.000 4.183 33 S HA -0.027 4.405 4.470 -0.065 0.000 0.195 33 S C -1.350 173.224 174.600 -0.043 0.000 1.421 33 S CA 0.377 58.541 58.200 -0.060 0.000 0.920 33 S CB -0.982 62.161 63.200 -0.096 0.000 1.525 33 S HN 0.022 8.209 8.310 -0.038 0.100 0.447 34 I N 2.282 122.820 120.570 -0.054 0.000 2.569 34 I HA 0.571 4.732 4.170 -0.314 -0.179 0.290 34 I C -1.739 174.276 176.117 -0.171 0.000 1.088 34 I CA -1.257 59.927 61.300 -0.192 0.000 1.047 34 I CB 4.490 42.387 38.000 -0.172 0.000 1.237 34 I HN -0.242 7.931 8.210 0.006 0.040 0.421 35 V N 5.564 125.341 119.914 -0.228 0.000 2.495 35 V HA 0.618 4.819 4.120 -0.124 -0.156 0.298 35 V C -0.986 175.014 176.094 -0.157 0.000 1.031 35 V CA -1.989 60.217 62.300 -0.157 0.000 0.871 35 V CB 2.556 34.301 31.823 -0.131 0.000 0.988 35 V HN 0.291 8.298 8.190 -0.305 0.000 0.432 36 G N 5.576 114.331 108.800 -0.075 0.000 2.370 36 G HA2 0.516 4.592 3.960 -0.084 0.000 0.317 36 G HA3 0.516 4.478 3.960 0.004 0.000 0.317 36 G C -1.847 173.052 174.900 -0.002 0.000 1.162 36 G CA -0.983 44.095 45.100 -0.037 0.000 0.922 36 G HN 0.965 9.124 8.290 -0.036 0.110 0.454 37 R N 3.489 123.960 120.500 -0.048 0.000 2.540 37 R HA 0.596 4.905 4.340 -0.052 0.000 0.287 37 R C -2.165 174.091 176.300 -0.074 0.000 0.980 37 R CA -4.628 51.432 56.100 -0.066 0.000 0.966 37 R CB 0.634 30.871 30.300 -0.105 0.000 1.106 37 R HN 0.191 8.420 8.270 -0.070 0.000 0.480 38 P HA -0.068 4.338 4.420 -0.023 0.000 0.266 38 P C -0.289 176.903 177.300 -0.180 0.000 1.195 38 P CA 0.118 63.173 63.100 -0.076 0.000 0.768 38 P CB 0.405 32.073 31.700 -0.054 0.000 0.838 39 R N 2.956 123.388 120.500 -0.114 0.000 2.570 39 R HA -0.196 4.042 4.340 -0.170 0.000 0.277 39 R C 0.154 176.392 176.300 -0.103 0.000 1.039 39 R CA 0.328 56.356 56.100 -0.120 0.000 1.065 39 R CB 0.489 30.766 30.300 -0.038 0.000 0.964 39 R HN -0.478 7.754 8.270 -0.064 0.000 0.428 40 H N 2.802 121.879 119.070 0.012 0.000 2.815 40 H HA -0.031 4.531 4.556 0.010 0.000 0.350 40 H C 0.407 175.741 175.328 0.010 0.000 1.080 40 H CA 0.302 56.357 56.048 0.011 0.000 1.433 40 H CB 0.291 30.058 29.762 0.010 0.000 1.432 40 H HN 0.126 8.355 8.280 -0.085 0.000 0.592 52 S N -0.225 115.278 115.700 -0.329 0.000 2.651 52 S HA 0.256 4.784 4.470 -0.125 -0.133 0.291 52 S C -0.965 173.334 174.600 -0.501 0.000 1.141 52 S CA -0.460 57.581 58.200 -0.265 0.000 1.027 52 S CB 1.768 64.882 63.200 -0.143 0.000 1.043 52 S HN -0.641 7.490 8.310 -0.299 0.000 0.530 53 Y N 0.321 120.577 120.300 -0.073 0.000 2.576 53 Y HA 0.215 4.720 4.550 -0.075 0.000 0.346 53 Y C -1.912 173.887 175.900 -0.168 0.000 1.018 53 Y CA -0.713 57.329 58.100 -0.096 0.000 1.050 53 Y CB 3.584 41.993 38.460 -0.084 0.000 1.280 53 Y HN 0.135 8.457 8.280 0.070 0.000 0.474 54 V N -0.590 119.241 119.914 -0.137 0.000 2.709 54 V HA 0.761 4.942 4.120 -0.194 -0.178 0.308 54 V C 0.941 176.814 176.094 -0.367 0.000 1.062 54 V CA -0.849 61.247 62.300 -0.341 0.000 0.901 54 V CB 3.285 34.721 31.823 -0.644 0.000 1.003 54 V HN 0.258 8.362 8.190 -0.144 0.000 0.425 55 G N 6.507 115.221 108.800 -0.143 0.000 2.498 55 G HA2 -0.381 3.826 3.960 0.126 0.000 0.245 55 G HA3 -0.381 3.563 3.960 -0.028 0.000 0.245 55 G C -0.091 174.805 174.900 -0.007 0.000 1.204 55 G CA 0.279 45.379 45.100 0.000 0.000 0.933 55 G HN 0.501 8.740 8.290 -0.085 0.000 0.574 56 D N 2.963 123.376 120.400 0.022 0.000 2.133 56 D HA -0.363 4.289 4.640 0.020 0.000 0.195 56 D C 1.579 177.865 176.300 -0.025 0.000 0.997 56 D CA 3.768 57.776 54.000 0.013 0.000 0.840 56 D CB -0.310 40.508 40.800 0.031 0.000 0.947 56 D HN 0.270 8.668 8.370 0.048 0.000 0.452 57 E N -0.696 119.484 120.200 -0.034 0.000 2.150 57 E HA -0.287 4.007 4.350 -0.093 0.000 0.193 57 E C 1.660 178.169 176.600 -0.152 0.000 0.985 57 E CA 2.712 59.066 56.400 -0.078 0.000 0.814 57 E CB -0.166 29.534 29.700 -0.001 0.000 0.752 57 E HN -0.111 8.234 8.360 -0.026 0.000 0.466 58 A N -1.016 121.760 122.820 -0.074 0.000 1.902 58 A HA -0.287 3.985 4.320 -0.081 0.000 0.217 58 A C 1.792 179.321 177.584 -0.091 0.000 1.181 58 A CA 2.909 54.903 52.037 -0.071 0.000 0.623 58 A CB -0.790 18.183 19.000 -0.046 0.000 0.818 58 A HN -0.659 7.461 8.150 -0.049 0.000 0.443 59 Q N -2.084 117.680 119.800 -0.061 0.000 2.084 59 Q HA -0.352 3.970 4.340 -0.030 0.000 0.202 59 Q C 3.182 179.151 176.000 -0.051 0.000 0.978 59 Q CA 2.568 58.349 55.803 -0.036 0.000 0.844 59 Q CB -0.236 28.500 28.738 -0.003 0.000 0.898 59 Q HN -0.523 7.718 8.270 -0.049 0.000 0.426 60 S N 0.716 116.373 115.700 -0.071 0.000 2.370 60 S HA -0.252 4.188 4.470 -0.051 0.000 0.226 60 S C 1.568 176.102 174.600 -0.110 0.000 1.033 60 S CA 2.999 61.152 58.200 -0.078 0.000 1.011 60 S CB 0.086 63.235 63.200 -0.085 0.000 0.852 60 S HN -0.155 8.112 8.310 -0.072 0.000 0.457 61 K N -1.820 118.474 120.400 -0.177 0.000 2.446 61 K HA 0.218 4.438 4.320 -0.165 0.000 0.203 61 K C 0.487 177.006 176.600 -0.134 0.000 1.027 61 K CA -0.802 55.362 56.287 -0.205 0.000 1.166 61 K CB -0.272 31.979 32.500 -0.415 0.000 0.869 61 K HN -0.628 7.499 8.250 -0.205 0.000 0.504 62 R N -0.701 119.746 120.500 -0.087 0.000 2.170 62 R HA -0.267 4.040 4.340 -0.055 0.000 0.242 62 R C 2.047 178.325 176.300 -0.037 0.000 1.145 62 R CA 3.339 59.408 56.100 -0.051 0.000 0.984 62 R CB -0.708 29.578 30.300 -0.024 0.000 0.869 62 R HN -0.760 7.330 8.270 -0.080 0.132 0.455 63 G N -0.015 108.762 108.800 -0.038 0.000 2.470 63 G HA2 -0.220 3.730 3.960 -0.016 0.000 0.220 63 G HA3 -0.220 3.725 3.960 -0.025 0.000 0.220 63 G C 0.190 175.076 174.900 -0.025 0.000 1.121 63 G CA 1.352 46.437 45.100 -0.026 0.000 0.766 63 G HN 0.384 8.621 8.290 -0.046 0.025 0.553 64 I N -6.422 114.127 120.570 -0.035 0.000 4.009 64 I HA 0.409 4.570 4.170 -0.015 0.000 0.331 64 I C -1.758 174.347 176.117 -0.019 0.000 1.462 64 I CA -0.902 60.384 61.300 -0.023 0.000 1.117 64 I CB 0.581 38.570 38.000 -0.019 0.000 1.091 64 I HN -0.498 7.651 8.210 -0.050 0.030 0.410 65 L N -0.844 120.362 121.223 -0.028 0.000 2.303 65 L HA 0.762 5.235 4.340 -0.027 -0.148 0.256 65 L C -0.442 176.405 176.870 -0.039 0.000 1.034 65 L CA -2.134 52.689 54.840 -0.028 0.000 0.832 65 L CB 4.289 46.339 42.059 -0.016 0.000 1.403 65 L HN -0.686 7.413 8.230 -0.032 0.111 0.419 66 T N 3.810 118.331 114.554 -0.056 0.000 2.770 66 T HA 0.311 4.643 4.350 -0.029 0.000 0.283 66 T C -1.173 173.483 174.700 -0.074 0.000 0.988 66 T CA -0.292 61.778 62.100 -0.051 0.000 0.957 66 T CB 0.737 69.569 68.868 -0.060 0.000 0.930 66 T HN 0.526 8.724 8.240 -0.069 0.000 0.443 67 L N 6.586 127.764 121.223 -0.076 0.000 2.349 67 L HA 0.350 4.717 4.340 -0.229 -0.164 0.275 67 L C -0.097 176.589 176.870 -0.307 0.000 1.115 67 L CA -0.270 54.443 54.840 -0.211 0.000 0.820 67 L CB 0.698 42.634 42.059 -0.206 0.000 1.135 67 L HN 0.460 8.671 8.230 -0.031 0.000 0.445 68 K N 1.587 121.698 120.400 -0.481 0.000 2.318 68 K HA 0.384 4.588 4.320 -0.193 0.000 0.249 68 K C -1.657 174.559 176.600 -0.640 0.000 0.942 68 K CA -2.247 53.815 56.287 -0.374 0.000 0.808 68 K CB 3.104 35.496 32.500 -0.181 0.000 1.189 68 K HN 0.621 8.585 8.250 -0.476 0.000 0.428 69 Y N 0.830 121.092 120.300 -0.063 0.000 2.787 69 Y HA 0.522 5.026 4.550 -0.076 0.000 0.352 69 Y C -1.502 174.332 175.900 -0.110 0.000 1.027 69 Y CA -3.278 54.776 58.100 -0.076 0.000 1.219 69 Y CB -0.288 38.137 38.460 -0.060 0.000 1.110 69 Y HN 0.364 8.692 8.280 0.080 0.000 0.614 70 P HA -0.047 4.282 4.420 -0.152 0.000 0.241 70 P C -1.735 175.446 177.300 -0.198 0.000 1.191 70 P CA 0.366 63.367 63.100 -0.165 0.000 0.771 70 P CB 1.077 32.633 31.700 -0.240 0.000 0.929 71 I N -3.112 117.383 120.570 -0.126 0.000 2.382 71 I HA 0.523 4.780 4.170 -0.154 -0.179 0.285 71 I C -1.120 174.964 176.117 -0.055 0.000 1.007 71 I CA -1.056 60.173 61.300 -0.118 0.000 1.142 71 I CB 1.300 39.230 38.000 -0.116 0.000 1.289 71 I HN -0.427 7.694 8.210 -0.078 0.042 0.453 75 I N 2.271 122.841 120.570 0.001 0.000 2.359 75 I HA 0.369 4.548 4.170 0.015 0.000 0.294 75 I C -1.223 174.835 176.117 -0.098 0.000 0.987 75 I CA -2.687 58.606 61.300 -0.011 0.000 1.225 75 I CB 1.408 39.415 38.000 0.011 0.000 1.366 75 I HN -0.413 7.693 8.210 -0.005 0.101 0.466 76 I N 7.539 128.009 120.570 -0.165 0.000 2.452 76 I HA -0.049 4.067 4.170 -0.390 -0.179 0.287 76 I C 0.492 176.279 176.117 -0.550 0.000 1.079 76 I CA 1.206 62.242 61.300 -0.441 0.000 1.387 76 I CB 0.094 37.677 38.000 -0.695 0.000 1.404 76 I HN 0.563 8.719 8.210 -0.091 0.000 0.522 77 T N 4.570 118.830 114.554 -0.489 0.000 2.975 77 T HA 0.147 4.318 4.350 -0.299 0.000 0.257 77 T C -0.491 173.973 174.700 -0.392 0.000 1.003 77 T CA -1.038 60.851 62.100 -0.351 0.000 0.932 77 T CB 1.856 70.629 68.868 -0.158 0.000 1.087 77 T HN 0.545 8.524 8.240 -0.434 0.000 0.512 78 N N 2.125 120.528 118.700 -0.495 0.000 2.504 78 N HA 0.209 4.804 4.740 -0.241 0.000 0.280 78 N C -0.754 174.523 175.510 -0.388 0.000 1.052 78 N CA -0.632 52.218 53.050 -0.333 0.000 0.887 78 N CB 1.539 39.933 38.487 -0.155 0.000 1.323 78 N HN -0.851 7.213 8.380 -0.528 0.000 0.509 79 W N 4.326 125.636 121.300 0.017 0.000 2.476 79 W HA -0.108 4.560 4.660 0.013 0.000 0.281 79 W C 1.204 177.748 176.519 0.042 0.000 1.230 79 W CA 2.788 60.156 57.345 0.037 0.000 1.287 79 W CB 0.354 29.866 29.460 0.087 0.000 1.108 79 W HN 0.663 8.859 8.180 0.027 0.000 0.567 80 D N 0.205 120.730 120.400 0.210 0.000 2.117 80 D HA -0.252 4.492 4.640 0.173 0.000 0.197 80 D C 1.989 178.333 176.300 0.072 0.000 0.987 80 D CA 3.428 57.513 54.000 0.140 0.000 0.829 80 D CB -0.706 40.155 40.800 0.101 0.000 0.961 80 D HN -0.551 8.017 8.370 0.194 -0.082 0.460 81 D N -0.230 120.169 120.400 -0.002 0.000 2.144 81 D HA -0.165 4.452 4.640 -0.038 0.000 0.200 81 D C 2.106 178.341 176.300 -0.108 0.000 0.978 81 D CA 2.727 56.691 54.000 -0.060 0.000 0.833 81 D CB -0.265 40.472 40.800 -0.104 0.000 0.961 81 D HN -0.164 8.529 8.370 -0.015 -0.332 0.470 82 M N 0.162 119.653 119.600 -0.182 0.000 2.159 82 M HA -0.316 3.874 4.480 -0.483 0.000 0.263 82 M C 1.440 177.595 176.300 -0.242 0.000 1.063 82 M CA 2.514 57.572 55.300 -0.404 0.000 1.110 82 M CB -0.167 32.068 32.600 -0.609 0.000 1.374 82 M HN -0.296 7.892 8.290 -0.170 0.000 0.411 83 E N -0.678 119.618 120.200 0.160 0.000 2.085 83 E HA -0.467 4.404 4.350 0.868 0.000 0.194 83 E C 2.384 179.262 176.600 0.465 0.000 0.994 83 E CA 3.370 60.078 56.400 0.513 0.000 0.801 83 E CB -0.475 29.472 29.700 0.411 0.000 0.743 83 E HN -0.138 8.327 8.360 0.175 0.000 0.453 84 K N -1.793 118.740 120.400 0.221 0.000 2.057 84 K HA -0.215 4.250 4.320 0.242 0.000 0.207 84 K C 2.480 179.198 176.600 0.197 0.000 1.049 84 K CA 2.182 58.579 56.287 0.183 0.000 0.931 84 K CB -0.533 31.996 32.500 0.048 0.000 0.714 84 K HN -0.777 7.555 8.250 0.137 0.000 0.440 85 I N -0.136 120.470 120.570 0.060 0.000 2.179 85 I HA -0.469 3.777 4.170 0.127 0.000 0.242 85 I C 1.874 178.077 176.117 0.144 0.000 1.088 85 I CA 4.401 65.733 61.300 0.054 0.000 1.357 85 I CB -0.098 37.816 38.000 -0.143 0.000 1.051 85 I HN -0.455 7.739 8.210 -0.027 0.000 0.409 86 W N -1.620 119.715 121.300 0.057 0.000 2.381 86 W HA -0.248 4.139 4.660 -0.457 0.000 0.301 86 W C 2.390 178.701 176.519 -0.348 0.000 1.205 86 W CA 2.401 59.563 57.345 -0.305 0.000 1.285 86 W CB -1.214 28.035 29.460 -0.352 0.000 1.133 86 W HN -0.027 8.211 8.180 0.097 0.000 0.521 87 H N 0.622 119.890 119.070 0.329 0.000 2.319 87 H HA -0.514 4.416 4.556 0.623 0.000 0.299 87 H C 1.777 177.305 175.328 0.334 0.000 1.092 87 H CA 5.025 61.374 56.048 0.502 0.000 1.302 87 H CB 0.327 30.456 29.762 0.613 0.000 1.373 87 H HN 0.259 8.954 8.280 0.691 0.000 0.497 88 H N -1.217 118.022 119.070 0.282 0.000 2.353 88 H HA -0.317 4.332 4.556 0.155 0.000 0.300 88 H C 2.280 177.559 175.328 -0.082 0.000 1.090 88 H CA 3.803 59.901 56.048 0.083 0.000 1.327 88 H CB 0.089 29.824 29.762 -0.046 0.000 1.383 88 H HN -0.195 8.384 8.280 0.499 0.000 0.508 89 T N 1.819 116.349 114.554 -0.039 0.000 2.652 89 T HA -0.497 3.819 4.350 -0.057 0.000 0.267 89 T C 2.039 176.567 174.700 -0.286 0.000 1.039 89 T CA 5.720 67.736 62.100 -0.140 0.000 1.153 89 T CB -0.173 68.615 68.868 -0.132 0.000 0.863 89 T HN -0.233 8.059 8.240 0.087 0.000 0.428 90 F N 0.641 120.423 119.950 -0.280 0.000 2.084 90 F HA -0.410 3.862 4.527 -0.424 0.000 0.296 90 F C 2.303 177.823 175.800 -0.465 0.000 1.111 90 F CA 4.077 61.778 58.000 -0.499 0.000 1.224 90 F CB 0.087 38.577 39.000 -0.849 0.000 0.991 90 F HN -0.315 7.672 8.300 -0.521 0.000 0.471 91 Y N -4.642 115.623 120.300 -0.057 0.000 2.347 91 Y HA -0.082 4.433 4.550 -0.058 0.000 0.294 91 Y C 2.437 178.256 175.900 -0.135 0.000 1.117 91 Y CA 2.311 60.344 58.100 -0.112 0.000 1.184 91 Y CB 0.780 39.101 38.460 -0.231 0.000 1.047 91 Y HN 0.028 8.234 8.280 -0.122 0.000 0.546 92 N N -2.175 116.456 118.700 -0.115 0.000 2.439 92 N HA -0.058 4.614 4.740 -0.114 0.000 0.176 92 N C 0.809 176.140 175.510 -0.298 0.000 1.029 92 N CA 2.248 55.147 53.050 -0.252 0.000 0.886 92 N CB 0.317 38.514 38.487 -0.484 0.000 1.057 92 N HN -0.457 7.809 8.380 -0.191 0.000 0.437 93 E N -1.214 118.759 120.200 -0.379 0.000 2.045 93 E HA -0.058 4.161 4.350 -0.219 0.000 0.190 93 E C 1.422 177.953 176.600 -0.114 0.000 0.968 93 E CA 1.360 57.612 56.400 -0.246 0.000 0.813 93 E CB 0.736 30.295 29.700 -0.234 0.000 0.780 93 E HN -0.493 7.606 8.360 -0.434 0.000 0.455 94 L N -4.281 116.873 121.223 -0.116 0.000 2.446 94 L HA 0.030 4.356 4.340 -0.023 0.000 0.219 94 L C 0.496 177.399 176.870 0.055 0.000 1.116 94 L CA 0.357 55.158 54.840 -0.063 0.000 0.844 94 L CB 0.710 42.628 42.059 -0.235 0.000 0.970 94 L HN -0.218 7.923 8.230 -0.149 0.000 0.457 95 R N -5.594 114.913 120.500 0.012 0.000 3.267 95 R HA -0.354 4.176 4.340 0.066 -0.151 0.254 95 R C -0.967 175.381 176.300 0.081 0.000 0.993 95 R CA 0.674 56.810 56.100 0.059 0.000 0.670 95 R CB -2.615 27.724 30.300 0.065 0.000 1.125 95 R HN -0.396 7.855 8.270 -0.030 0.000 0.434 96 V N -7.105 112.821 119.914 0.020 0.000 3.074 96 V HA 0.403 4.586 4.120 0.105 0.000 0.314 96 V C -2.091 173.962 176.094 -0.068 0.000 1.117 96 V CA -3.424 58.886 62.300 0.016 0.000 1.014 96 V CB 2.484 34.230 31.823 -0.129 0.000 1.057 96 V HN -0.416 7.751 8.190 -0.038 0.000 0.438 97 A N 0.640 123.486 122.820 0.042 0.000 2.252 97 A HA 0.488 4.775 4.320 -0.056 0.000 0.309 97 A C -0.886 176.616 177.584 -0.137 0.000 1.285 97 A CA -3.254 48.773 52.037 -0.017 0.000 0.900 97 A CB -0.312 18.742 19.000 0.091 0.000 1.157 97 A HN 0.446 8.684 8.150 0.147 0.000 0.536 98 P HA -0.216 3.761 4.420 -0.738 0.000 0.220 98 P C 0.742 177.847 177.300 -0.325 0.000 1.148 98 P CA 1.618 64.282 63.100 -0.727 0.000 0.803 98 P CB 0.250 31.059 31.700 -1.486 0.000 0.782 99 E N -2.570 117.527 120.200 -0.171 0.000 2.463 99 E HA -0.198 4.505 4.350 -0.098 -0.412 0.201 99 E C 0.234 176.758 176.600 -0.127 0.000 1.045 99 E CA 2.032 58.373 56.400 -0.099 0.000 0.872 99 E CB -2.066 27.616 29.700 -0.030 0.000 0.797 99 E HN 0.569 8.834 8.360 -0.131 0.016 0.538 100 E N -2.598 117.500 120.200 -0.170 0.000 2.481 100 E HA 0.081 4.270 4.350 -0.268 0.000 0.198 100 E C -1.184 175.057 176.600 -0.599 0.000 1.027 100 E CA -0.485 55.709 56.400 -0.343 0.000 0.900 100 E CB 1.462 30.934 29.700 -0.379 0.000 0.993 100 E HN -0.649 7.578 8.360 -0.125 0.058 0.482 101 H N -2.033 116.929 119.070 -0.179 0.000 2.782 101 H HA 0.522 4.983 4.556 -0.159 0.000 0.347 101 H C -2.459 172.699 175.328 -0.283 0.000 1.038 101 H CA -2.553 53.383 56.048 -0.186 0.000 1.255 101 H CB 1.164 30.851 29.762 -0.125 0.000 1.623 101 H HN -0.727 7.468 8.280 -0.141 0.000 0.525 102 P HA -0.063 4.200 4.420 -0.591 -0.198 0.265 102 P C -1.043 175.997 177.300 -0.433 0.000 1.193 102 P CA 0.186 62.887 63.100 -0.664 0.000 0.765 102 P CB 0.568 31.428 31.700 -1.399 0.000 0.823 103 T N 5.023 119.415 114.554 -0.270 0.000 2.840 103 T HA 0.339 4.874 4.350 0.052 -0.154 0.287 103 T C -1.869 172.997 174.700 0.277 0.000 0.991 103 T CA 0.050 62.157 62.100 0.012 0.000 0.964 103 T CB 2.559 71.395 68.868 -0.052 0.000 0.954 103 T HN 0.066 8.131 8.240 -0.292 0.000 0.438 104 L N 9.023 130.473 121.223 0.377 0.000 2.264 104 L HA 0.514 5.303 4.340 0.461 -0.173 0.289 104 L C -2.702 174.250 176.870 0.136 0.000 1.044 104 L CA -1.332 53.716 54.840 0.347 0.000 0.807 104 L CB 1.695 43.895 42.059 0.236 0.000 1.192 104 L HN 0.631 9.049 8.230 0.314 0.000 0.425 105 L N 6.618 127.909 121.223 0.114 0.000 2.334 105 L HA 0.898 5.463 4.340 0.072 -0.182 0.272 105 L C -0.471 176.454 176.870 0.093 0.000 1.020 105 L CA -1.900 52.985 54.840 0.076 0.000 0.812 105 L CB 3.162 45.242 42.059 0.036 0.000 1.264 105 L HN 0.767 9.085 8.230 0.147 0.000 0.439 106 T N -1.833 112.782 114.554 0.101 0.000 2.945 106 T HA 0.799 5.391 4.350 0.058 -0.207 0.286 106 T C -0.226 174.532 174.700 0.097 0.000 1.025 106 T CA -2.604 59.541 62.100 0.075 0.000 1.039 106 T CB 2.333 71.231 68.868 0.051 0.000 1.068 106 T HN -0.192 8.239 8.240 0.124 -0.117 0.497 107 E N -0.457 119.780 120.200 0.062 0.000 2.393 107 E HA 0.363 4.765 4.350 0.087 0.000 0.273 107 E C -2.269 174.338 176.600 0.012 0.000 0.918 107 E CA -2.091 54.348 56.400 0.064 0.000 0.773 107 E CB 3.490 33.238 29.700 0.081 0.000 1.275 107 E HN 0.053 8.435 8.360 0.037 0.000 0.451 108 A N -0.044 122.780 122.820 0.006 0.000 2.386 108 A HA 0.283 4.692 4.320 -0.079 -0.137 0.248 108 A C -2.169 175.327 177.584 -0.147 0.000 1.082 108 A CA -1.563 50.436 52.037 -0.064 0.000 0.789 108 A CB -0.830 18.171 19.000 0.001 0.000 1.025 108 A HN 0.552 8.722 8.150 0.033 0.000 0.490 109 P HA -0.113 4.178 4.420 -0.215 0.000 0.266 109 P C -0.555 176.618 177.300 -0.213 0.000 1.193 109 P CA 0.841 63.727 63.100 -0.355 0.000 0.770 109 P CB 0.487 31.780 31.700 -0.678 0.000 0.836 110 L N -6.113 115.056 121.223 -0.090 0.000 3.843 110 L HA -0.384 3.954 4.340 -0.004 0.000 0.411 110 L C -0.208 176.673 176.870 0.018 0.000 1.205 110 L CA 0.458 55.289 54.840 -0.014 0.000 0.945 110 L CB -1.909 40.160 42.059 0.016 0.000 1.929 110 L HN 0.238 8.420 8.230 -0.080 0.000 0.934 111 N N 1.167 119.880 118.700 0.022 0.000 2.468 111 N HA 0.114 4.896 4.740 0.071 0.000 0.265 111 N C -1.618 173.940 175.510 0.080 0.000 1.199 111 N CA -1.515 51.574 53.050 0.065 0.000 0.928 111 N CB 0.899 39.436 38.487 0.083 0.000 1.059 111 N HN -0.675 7.683 8.380 0.005 0.025 0.467 112 P HA -0.010 4.444 4.420 0.057 0.000 0.266 112 P C 0.114 177.480 177.300 0.110 0.000 1.195 112 P CA -0.261 62.891 63.100 0.087 0.000 0.768 112 P CB 0.846 32.607 31.700 0.102 0.000 0.838 113 K N 3.645 124.078 120.400 0.055 0.000 2.074 113 K HA -0.469 3.936 4.320 0.142 0.000 0.209 113 K C 2.242 178.968 176.600 0.211 0.000 1.048 113 K CA 4.120 60.445 56.287 0.065 0.000 0.926 113 K CB -0.321 32.052 32.500 -0.211 0.000 0.713 113 K HN 0.377 8.633 8.250 0.010 0.000 0.444 114 A N -3.808 119.097 122.820 0.141 0.000 2.015 114 A HA -0.157 4.242 4.320 0.131 0.000 0.219 114 A C 1.830 179.495 177.584 0.136 0.000 1.163 114 A CA 2.781 54.897 52.037 0.131 0.000 0.646 114 A CB -0.800 18.261 19.000 0.102 0.000 0.806 114 A HN 0.243 8.457 8.150 0.107 0.000 0.448 115 N N -1.634 117.190 118.700 0.206 0.000 2.135 115 N HA -0.332 4.643 4.740 0.393 0.000 0.186 115 N C 1.682 177.345 175.510 0.257 0.000 1.027 115 N CA 3.619 56.861 53.050 0.320 0.000 0.849 115 N CB 0.176 38.878 38.487 0.358 0.000 1.002 115 N HN -0.520 7.861 8.380 0.201 0.119 0.425 116 R N 0.169 120.803 120.500 0.223 0.000 2.105 116 R HA -0.362 4.083 4.340 0.175 0.000 0.239 116 R C 2.246 178.586 176.300 0.066 0.000 1.135 116 R CA 3.224 59.422 56.100 0.163 0.000 0.967 116 R CB -0.055 30.351 30.300 0.176 0.000 0.861 116 R HN -0.639 7.771 8.270 0.234 0.000 0.442 117 E N -1.820 118.422 120.200 0.070 0.000 2.106 117 E HA -0.332 4.009 4.350 -0.014 0.000 0.192 117 E C 2.093 178.669 176.600 -0.040 0.000 0.984 117 E CA 2.912 59.322 56.400 0.016 0.000 0.806 117 E CB -0.264 29.481 29.700 0.074 0.000 0.750 117 E HN -0.354 8.092 8.360 0.143 0.000 0.458 118 K N 0.143 120.447 120.400 -0.160 0.000 2.057 118 K HA -0.186 3.937 4.320 -0.328 0.000 0.206 118 K C 1.975 178.359 176.600 -0.361 0.000 1.050 118 K CA 2.258 58.280 56.287 -0.442 0.000 0.935 118 K CB -0.428 31.450 32.500 -1.036 0.000 0.715 118 K HN -0.481 7.692 8.250 -0.128 0.000 0.439 119 M N -0.973 118.541 119.600 -0.142 0.000 2.108 119 M HA -0.359 4.327 4.480 0.345 0.000 0.261 119 M C 1.774 178.050 176.300 -0.039 0.000 1.066 119 M CA 4.077 59.461 55.300 0.140 0.000 1.107 119 M CB -0.054 32.728 32.600 0.304 0.000 1.356 119 M HN -0.253 7.990 8.290 -0.078 0.000 0.406 120 T N 1.345 115.861 114.554 -0.063 0.000 2.708 120 T HA -0.407 3.803 4.350 -0.233 0.000 0.266 120 T C 2.030 176.650 174.700 -0.133 0.000 1.037 120 T CA 4.898 66.930 62.100 -0.114 0.000 1.146 120 T CB -0.650 68.234 68.868 0.027 0.000 0.865 120 T HN -0.404 7.817 8.240 -0.032 0.000 0.435 121 Q N 2.125 121.912 119.800 -0.022 0.000 2.084 121 Q HA -0.262 4.094 4.340 0.027 0.000 0.202 121 Q C 2.391 178.369 176.000 -0.038 0.000 0.978 121 Q CA 3.366 59.179 55.803 0.017 0.000 0.844 121 Q CB -0.305 28.477 28.738 0.074 0.000 0.898 121 Q HN -0.362 7.905 8.270 -0.005 0.000 0.426 122 I N -0.377 120.182 120.570 -0.017 0.000 2.202 122 I HA -0.411 3.789 4.170 0.050 0.000 0.242 122 I C 2.675 178.828 176.117 0.061 0.000 1.091 122 I CA 3.784 65.128 61.300 0.074 0.000 1.368 122 I CB -0.084 38.096 38.000 0.300 0.000 1.058 122 I HN -0.068 8.126 8.210 -0.028 0.000 0.410 123 M N -0.663 118.890 119.600 -0.079 0.000 2.108 123 M HA -0.383 4.149 4.480 0.086 0.000 0.261 123 M C 2.471 178.642 176.300 -0.215 0.000 1.066 123 M CA 2.917 58.113 55.300 -0.174 0.000 1.107 123 M CB -0.928 31.365 32.600 -0.511 0.000 1.356 123 M HN -0.498 7.700 8.290 -0.154 0.000 0.406 124 F N -1.440 118.368 119.950 -0.237 0.000 2.219 124 F HA -0.113 4.276 4.527 -0.229 0.000 0.294 124 F C 3.031 178.715 175.800 -0.194 0.000 1.086 124 F CA 2.384 60.188 58.000 -0.327 0.000 1.330 124 F CB -0.327 38.176 39.000 -0.829 0.000 1.047 124 F HN -0.349 7.746 8.300 -0.341 0.000 0.495 125 E N -2.705 117.508 120.200 0.022 0.000 2.140 125 E HA -0.098 4.294 4.350 0.069 0.000 0.191 125 E C 1.629 178.217 176.600 -0.019 0.000 0.973 125 E CA 2.115 58.539 56.400 0.040 0.000 0.829 125 E CB 0.486 30.230 29.700 0.073 0.000 0.781 125 E HN 0.276 8.625 8.360 -0.019 0.000 0.466 126 T N 0.017 114.514 114.554 -0.095 0.000 2.866 126 T HA -0.122 4.105 4.350 -0.204 0.000 0.250 126 T C 0.740 175.228 174.700 -0.353 0.000 1.033 126 T CA 3.075 65.004 62.100 -0.285 0.000 1.145 126 T CB 0.828 69.397 68.868 -0.498 0.000 0.866 126 T HN -0.208 7.882 8.240 -0.076 0.105 0.434 127 F N -4.081 115.903 119.950 0.056 0.000 2.746 127 F HA -0.007 4.556 4.527 0.060 0.000 0.297 127 F C -0.608 175.150 175.800 -0.069 0.000 1.113 127 F CA 0.563 58.563 58.000 -0.001 0.000 1.367 127 F CB 1.484 40.452 39.000 -0.053 0.000 1.111 127 F HN -0.816 7.470 8.300 -0.023 0.000 0.590 128 N N -0.654 118.098 118.700 0.086 0.000 2.727 128 N HA -0.393 4.603 4.740 0.107 -0.192 0.249 128 N C 0.033 175.565 175.510 0.037 0.000 1.048 128 N CA 0.033 53.127 53.050 0.074 0.000 0.714 128 N CB -0.540 37.979 38.487 0.054 0.000 0.959 128 N HN -0.718 7.704 8.380 0.071 0.000 0.544 129 V N -4.286 115.616 119.914 -0.021 0.000 2.872 129 V HA 0.207 4.426 4.120 -0.142 -0.184 0.307 129 V C -0.383 175.732 176.094 0.036 0.000 1.072 129 V CA -0.565 61.670 62.300 -0.107 0.000 1.148 129 V CB -0.968 30.696 31.823 -0.265 0.000 0.954 129 V HN -0.580 7.572 8.190 -0.041 0.014 0.490 130 P HA -0.034 4.416 4.420 0.049 0.000 0.222 130 P C -1.619 175.740 177.300 0.098 0.000 1.153 130 P CA 1.313 64.420 63.100 0.011 0.000 0.798 130 P CB 0.384 32.027 31.700 -0.096 0.000 0.796 131 A N -5.331 117.497 122.820 0.015 0.000 2.608 131 A HA 0.854 5.559 4.320 0.346 -0.176 0.292 131 A C -2.181 175.353 177.584 -0.083 0.000 1.066 131 A CA -0.688 51.384 52.037 0.058 0.000 0.676 131 A CB 3.489 22.381 19.000 -0.180 0.000 1.277 131 A HN -0.643 7.417 8.150 -0.103 0.028 0.413 132 M N -4.293 115.410 119.600 0.172 0.000 2.949 132 M HA 0.785 5.614 4.480 0.330 -0.152 0.270 132 M C -2.699 173.949 176.300 0.580 0.000 1.221 132 M CA -0.696 54.750 55.300 0.244 0.000 0.818 132 M CB 3.928 36.396 32.600 -0.220 0.000 1.635 132 M HN 0.374 8.878 8.290 0.356 0.000 0.492 133 Y N -2.432 118.078 120.300 0.351 0.000 2.592 133 Y HA 0.303 4.962 4.550 0.182 0.000 0.334 133 Y C -3.011 172.973 175.900 0.141 0.000 1.136 133 Y CA 0.204 58.445 58.100 0.234 0.000 1.042 133 Y CB 4.197 42.798 38.460 0.236 0.000 1.325 133 Y HN -0.211 8.360 8.280 0.484 0.000 0.457 134 V N 6.223 125.975 119.914 -0.269 0.000 2.444 134 V HA 0.659 5.033 4.120 0.041 -0.229 0.294 134 V C -1.397 174.619 176.094 -0.129 0.000 1.022 134 V CA -1.776 60.464 62.300 -0.101 0.000 0.850 134 V CB 1.737 33.513 31.823 -0.079 0.000 0.992 134 V HN 0.274 8.034 8.190 -0.716 0.000 0.426 135 A N 7.058 129.933 122.820 0.090 0.000 2.356 135 A HA 0.383 4.783 4.320 0.134 0.000 0.323 135 A C -2.252 175.346 177.584 0.024 0.000 1.119 135 A CA -1.800 50.307 52.037 0.117 0.000 0.790 135 A CB 3.658 22.752 19.000 0.158 0.000 1.273 135 A HN 0.589 8.805 8.150 0.110 0.000 0.452 136 I N 1.174 121.738 120.570 -0.011 0.000 2.496 136 I HA -0.047 4.270 4.170 -0.036 -0.168 0.285 136 I C 1.478 177.541 176.117 -0.090 0.000 1.080 136 I CA -0.279 60.990 61.300 -0.051 0.000 1.404 136 I CB -0.369 37.592 38.000 -0.064 0.000 1.403 136 I HN 0.230 8.439 8.210 -0.002 0.000 0.539 137 Q N 9.044 128.801 119.800 -0.072 0.000 2.045 137 Q HA -0.503 3.804 4.340 -0.056 0.000 0.206 137 Q C 2.200 178.140 176.000 -0.100 0.000 0.991 137 Q CA 4.577 60.341 55.803 -0.065 0.000 0.851 137 Q CB -0.180 28.541 28.738 -0.028 0.000 0.911 137 Q HN 0.212 8.446 8.270 -0.060 0.000 0.418 138 A N -2.859 119.896 122.820 -0.108 0.000 1.972 138 A HA -0.242 4.029 4.320 -0.082 0.000 0.219 138 A C 1.791 179.264 177.584 -0.185 0.000 1.169 138 A CA 2.918 54.889 52.037 -0.110 0.000 0.635 138 A CB -0.935 18.012 19.000 -0.090 0.000 0.810 138 A HN 0.320 8.404 8.150 -0.111 0.000 0.446 139 V N -0.977 118.785 119.914 -0.252 0.000 2.343 139 V HA -0.483 3.387 4.120 -0.416 0.000 0.247 139 V C 1.807 177.445 176.094 -0.761 0.000 1.051 139 V CA 4.265 66.286 62.300 -0.464 0.000 1.036 139 V CB -0.434 31.138 31.823 -0.417 0.000 0.654 139 V HN -0.761 7.287 8.190 -0.212 0.014 0.451 140 L N -1.501 119.419 121.223 -0.505 0.000 2.046 140 L HA -0.449 3.581 4.340 -0.517 0.000 0.208 140 L C 2.203 178.934 176.870 -0.232 0.000 1.077 140 L CA 3.496 58.102 54.840 -0.391 0.000 0.747 140 L CB -0.969 40.971 42.059 -0.199 0.000 0.896 140 L HN -0.580 7.439 8.230 -0.353 0.000 0.432 141 S N -0.745 114.857 115.700 -0.164 0.000 2.382 141 S HA -0.332 4.269 4.470 -0.030 -0.149 0.228 141 S C 2.122 176.684 174.600 -0.064 0.000 1.027 141 S CA 2.893 61.050 58.200 -0.071 0.000 0.991 141 S CB 0.012 63.187 63.200 -0.041 0.000 0.823 141 S HN -0.574 7.636 8.310 -0.166 0.000 0.469 142 L N 2.016 123.163 121.223 -0.127 0.000 2.017 142 L HA -0.318 4.013 4.340 -0.015 0.000 0.208 142 L C 1.528 178.435 176.870 0.061 0.000 1.073 142 L CA 2.911 57.718 54.840 -0.055 0.000 0.745 142 L CB -0.251 41.756 42.059 -0.087 0.000 0.894 142 L HN -0.669 7.443 8.230 -0.197 0.000 0.432 143 Y N -2.893 117.370 120.300 -0.063 0.000 2.224 143 Y HA -0.347 4.305 4.550 -0.077 -0.148 0.289 143 Y C 2.769 178.632 175.900 -0.060 0.000 1.146 143 Y CA 1.328 59.380 58.100 -0.080 0.000 1.182 143 Y CB -0.369 38.016 38.460 -0.124 0.000 0.983 143 Y HN -0.575 7.581 8.280 -0.206 0.000 0.524 144 A N -2.197 120.686 122.820 0.105 0.000 2.070 144 A HA -0.215 4.140 4.320 0.058 0.000 0.220 144 A C 0.376 177.993 177.584 0.055 0.000 1.159 144 A CA 2.194 54.269 52.037 0.063 0.000 0.656 144 A CB -0.802 18.231 19.000 0.054 0.000 0.800 144 A HN -0.101 8.092 8.150 0.073 0.000 0.453 145 S N -3.413 112.320 115.700 0.054 0.000 2.593 145 S HA -0.042 4.453 4.470 0.042 0.000 0.217 145 S C 0.435 175.061 174.600 0.043 0.000 0.966 145 S CA -0.163 58.064 58.200 0.045 0.000 0.914 145 S CB 0.910 64.134 63.200 0.040 0.000 0.776 145 S HN -0.618 7.584 8.310 0.057 0.143 0.523 146 G N 1.432 110.260 108.800 0.047 0.000 2.149 146 G HA2 -0.409 3.560 3.960 0.016 0.000 0.235 146 G HA3 -0.409 3.563 3.960 0.021 0.000 0.235 146 G C -0.978 173.939 174.900 0.027 0.000 1.018 146 G CA 0.157 45.273 45.100 0.027 0.000 0.728 146 G HN -0.241 7.914 8.290 0.059 0.171 0.508 147 R N -2.093 118.440 120.500 0.056 0.000 2.795 147 R HA 0.395 4.755 4.340 0.033 0.000 0.275 147 R C -1.037 175.323 176.300 0.100 0.000 0.981 147 R CA -2.150 53.984 56.100 0.056 0.000 0.917 147 R CB 2.463 32.797 30.300 0.057 0.000 1.202 147 R HN -0.723 7.596 8.270 0.082 0.000 0.469 148 T N -3.328 111.263 114.554 0.061 0.000 3.040 148 T HA 0.153 4.624 4.350 0.202 0.000 0.266 148 T C -1.177 173.559 174.700 0.060 0.000 1.005 148 T CA 0.464 62.617 62.100 0.087 0.000 0.906 148 T CB 1.076 69.940 68.868 -0.007 0.000 1.082 148 T HN 0.327 8.583 8.240 0.028 0.000 0.531 149 T N 2.457 117.040 114.554 0.049 0.000 2.848 149 T HA 0.596 5.197 4.350 0.093 -0.196 0.285 149 T C -0.712 174.034 174.700 0.077 0.000 0.995 149 T CA 0.053 62.198 62.100 0.075 0.000 0.970 149 T CB 2.610 71.528 68.868 0.083 0.000 0.976 149 T HN -0.592 7.675 8.240 0.044 0.000 0.441 150 G N 4.394 113.239 108.800 0.075 0.000 2.313 150 G HA2 0.182 4.173 3.960 0.052 0.000 0.296 150 G HA3 0.182 4.222 3.960 0.044 -0.054 0.296 150 G C -3.653 171.261 174.900 0.024 0.000 1.356 150 G CA 0.869 45.998 45.100 0.049 0.000 0.833 150 G HN 0.445 8.787 8.290 0.087 0.000 0.552 151 I N -0.488 120.086 120.570 0.006 0.000 2.418 151 I HA 0.590 4.921 4.170 -0.019 -0.172 0.287 151 I C -2.094 174.020 176.117 -0.006 0.000 1.008 151 I CA -2.313 58.977 61.300 -0.015 0.000 1.104 151 I CB 2.960 40.932 38.000 -0.047 0.000 1.264 151 I HN -0.034 8.184 8.210 0.012 0.000 0.438 152 V N 9.269 129.175 119.914 -0.014 0.000 2.439 152 V HA 0.552 4.893 4.120 -0.000 -0.221 0.282 152 V C -1.554 174.540 176.094 0.000 0.000 1.039 152 V CA -1.236 61.058 62.300 -0.009 0.000 0.913 152 V CB 1.316 33.122 31.823 -0.028 0.000 0.983 152 V HN 0.362 8.539 8.190 -0.022 0.000 0.460 153 L N 8.149 129.378 121.223 0.010 0.000 2.264 153 L HA 0.539 5.070 4.340 0.010 -0.185 0.287 153 L C -2.522 174.357 176.870 0.014 0.000 1.039 153 L CA -1.513 53.333 54.840 0.011 0.000 0.829 153 L CB 1.883 43.948 42.059 0.009 0.000 1.211 153 L HN 0.409 8.647 8.230 0.014 0.000 0.427 154 D N 8.126 128.542 120.400 0.026 0.000 2.381 154 D HA 0.579 5.650 4.640 0.019 -0.420 0.235 154 D C -1.791 174.527 176.300 0.030 0.000 1.068 154 D CA -1.095 52.924 54.000 0.031 0.000 0.832 154 D CB 2.497 43.322 40.800 0.042 0.000 1.101 154 D HN 0.228 8.623 8.370 0.041 0.000 0.515 155 S N 7.297 123.005 115.700 0.012 0.000 2.707 155 S HA 0.612 5.221 4.470 -0.010 -0.145 0.303 155 S C -1.260 173.340 174.600 0.001 0.000 1.132 155 S CA -1.897 56.302 58.200 -0.002 0.000 1.046 155 S CB 1.632 64.825 63.200 -0.011 0.000 1.004 155 S HN 0.168 8.484 8.310 0.011 0.000 0.483 156 G N 5.413 114.213 108.800 0.001 0.000 3.310 156 G HA2 0.351 4.306 3.960 -0.008 0.000 0.176 156 G HA3 0.351 4.313 3.960 0.004 0.000 0.176 156 G C -1.491 173.403 174.900 -0.009 0.000 1.307 156 G CA -0.201 44.898 45.100 -0.003 0.000 0.935 156 G HN 0.008 8.297 8.290 -0.001 0.000 0.628 157 D N -0.786 119.607 120.400 -0.011 0.000 2.277 157 D HA 0.055 4.687 4.640 -0.013 0.000 0.209 157 D C 1.293 177.579 176.300 -0.023 0.000 0.970 157 D CA 2.569 56.560 54.000 -0.016 0.000 0.874 157 D CB 0.448 41.239 40.800 -0.015 0.000 0.982 157 D HN 0.262 8.626 8.370 -0.009 0.000 0.504 158 G N -2.365 106.421 108.800 -0.023 0.000 2.748 158 G HA2 0.032 3.968 3.960 -0.041 0.000 0.204 158 G HA3 0.032 3.976 3.960 -0.028 0.000 0.204 158 G C -0.481 174.391 174.900 -0.046 0.000 1.095 158 G CA 0.185 45.266 45.100 -0.033 0.000 0.775 158 G HN -0.056 8.224 8.290 -0.016 0.000 0.531 159 V N 0.152 120.040 119.914 -0.044 0.000 3.178 159 V HA 0.298 4.342 4.120 -0.127 0.000 0.302 159 V C -2.642 173.384 176.094 -0.113 0.000 1.262 159 V CA -1.310 60.930 62.300 -0.100 0.000 1.030 159 V CB 3.298 35.071 31.823 -0.083 0.000 1.074 159 V HN -0.732 7.442 8.190 -0.025 0.000 0.438 160 T N 7.364 121.783 114.554 -0.225 0.000 2.841 160 T HA 0.785 5.288 4.350 -0.087 -0.206 0.283 160 T C -1.198 173.295 174.700 -0.345 0.000 1.000 160 T CA -1.060 60.930 62.100 -0.184 0.000 0.977 160 T CB 1.971 70.750 68.868 -0.148 0.000 0.979 160 T HN 0.028 8.097 8.240 -0.284 0.000 0.446 161 H N 4.574 123.616 119.070 -0.047 0.000 2.768 161 H HA 0.622 5.315 4.556 -0.051 -0.168 0.371 161 H C -1.339 173.958 175.328 -0.051 0.000 1.151 161 H CA -1.108 54.911 56.048 -0.048 0.000 1.165 161 H CB 4.553 34.290 29.762 -0.041 0.000 1.722 161 H HN 0.696 9.014 8.280 0.063 0.000 0.543 162 N N 2.445 121.192 118.700 0.078 0.000 2.425 162 N HA 0.560 5.506 4.740 0.013 -0.198 0.268 162 N C -1.210 174.306 175.510 0.009 0.000 0.991 162 N CA 0.074 53.135 53.050 0.019 0.000 0.931 162 N CB 1.334 39.808 38.487 -0.022 0.000 1.130 162 N HN 0.306 8.727 8.380 0.068 0.000 0.493 163 V N 3.371 123.277 119.914 -0.013 0.000 2.357 163 V HA 0.461 4.552 4.120 -0.048 0.000 0.281 163 V C -2.640 173.428 176.094 -0.044 0.000 1.015 163 V CA -3.536 58.740 62.300 -0.040 0.000 0.827 163 V CB 2.190 33.980 31.823 -0.056 0.000 1.018 163 V HN 0.630 8.813 8.190 -0.012 0.000 0.432 164 P HA 0.360 4.886 4.420 -0.033 -0.126 0.280 164 P C -1.721 175.581 177.300 0.004 0.000 1.244 164 P CA -0.895 62.179 63.100 -0.042 0.000 0.784 164 P CB 0.757 32.406 31.700 -0.086 0.000 0.913 165 I N 0.955 121.554 120.570 0.049 0.000 2.534 165 I HA 0.363 4.775 4.170 0.113 -0.174 0.288 165 I C -2.061 174.171 176.117 0.192 0.000 1.077 165 I CA -0.494 60.864 61.300 0.098 0.000 1.051 165 I CB 4.173 42.193 38.000 0.035 0.000 1.234 165 I HN 0.333 8.572 8.210 0.049 0.000 0.425 166 Y N 6.878 127.231 120.300 0.088 0.000 2.361 166 Y HA 0.263 4.858 4.550 0.074 0.000 0.337 166 Y C -0.618 175.370 175.900 0.147 0.000 0.965 166 Y CA -1.641 56.515 58.100 0.095 0.000 1.091 166 Y CB 3.667 42.174 38.460 0.079 0.000 1.182 166 Y HN 0.373 8.838 8.280 0.308 0.000 0.450 167 E N 8.012 127.978 120.200 -0.391 0.000 2.238 167 E HA -0.493 3.715 4.350 -0.237 0.000 0.219 167 E C -0.398 176.224 176.600 0.037 0.000 1.275 167 E CA 1.218 57.461 56.400 -0.263 0.000 0.714 167 E CB -2.426 27.020 29.700 -0.424 0.000 1.154 167 E HN 0.464 8.552 8.360 -0.454 0.000 0.363 168 G N -5.029 103.803 108.800 0.053 0.000 2.195 168 G HA2 -0.447 3.615 3.960 0.171 0.000 0.246 168 G HA3 -0.447 3.459 3.960 -0.089 0.000 0.246 168 G C -1.292 173.534 174.900 -0.123 0.000 0.984 168 G CA 0.257 45.372 45.100 0.024 0.000 0.633 168 G HN 0.252 8.558 8.290 0.051 0.014 0.525 169 Y N 0.610 120.976 120.300 0.110 0.000 2.409 169 Y HA 0.207 4.818 4.550 0.101 0.000 0.343 169 Y C -1.342 174.605 175.900 0.079 0.000 0.973 169 Y CA -2.003 56.157 58.100 0.100 0.000 1.064 169 Y CB 2.175 40.696 38.460 0.101 0.000 1.207 169 Y HN -0.726 7.650 8.280 0.319 0.095 0.452 170 A N 3.015 125.938 122.820 0.171 0.000 2.520 170 A HA 0.030 4.541 4.320 0.065 -0.152 0.235 170 A C -0.428 177.233 177.584 0.128 0.000 1.065 170 A CA 0.285 52.380 52.037 0.096 0.000 0.764 170 A CB 0.438 19.456 19.000 0.031 0.000 1.002 170 A HN 0.386 8.617 8.150 0.136 0.000 0.502 171 L N 1.528 122.792 121.223 0.068 0.000 2.314 171 L HA 0.361 4.782 4.340 0.134 0.000 0.275 171 L C -0.695 176.162 176.870 -0.023 0.000 1.068 171 L CA -3.181 51.696 54.840 0.061 0.000 0.894 171 L CB -0.045 42.023 42.059 0.014 0.000 1.275 171 L HN 0.014 8.261 8.230 0.029 0.000 0.432 172 P HA -0.228 4.183 4.420 -0.015 0.000 0.218 172 P C 1.088 178.382 177.300 -0.010 0.000 1.148 172 P CA 2.214 65.323 63.100 0.015 0.000 0.822 172 P CB -0.199 31.529 31.700 0.048 0.000 0.784 173 H N -3.708 115.358 119.070 -0.006 0.000 2.518 173 H HA -0.237 4.312 4.556 -0.011 0.000 0.289 173 H C -0.063 175.253 175.328 -0.021 0.000 1.051 173 H CA 2.290 58.330 56.048 -0.014 0.000 1.280 173 H CB -1.027 28.724 29.762 -0.019 0.000 1.380 173 H HN 0.194 8.620 8.280 0.243 0.000 0.566 174 A N -2.564 119.845 122.820 -0.685 0.000 2.390 174 A HA 0.260 4.339 4.320 -0.401 0.000 0.232 174 A C -1.455 175.988 177.584 -0.235 0.000 1.233 174 A CA -1.186 50.545 52.037 -0.510 0.000 0.907 174 A CB 0.737 19.359 19.000 -0.630 0.000 0.967 174 A HN -0.486 7.222 8.150 -0.659 0.046 0.512 175 I N 0.557 121.034 120.570 -0.155 0.000 2.648 175 I HA -0.072 4.230 4.170 -0.066 -0.171 0.284 175 I C -0.487 175.614 176.117 -0.026 0.000 1.153 175 I CA 1.372 62.633 61.300 -0.065 0.000 1.426 175 I CB 0.454 38.433 38.000 -0.035 0.000 1.381 175 I HN -0.980 7.136 8.210 -0.157 0.000 0.571 176 M N 6.444 126.044 119.600 -0.000 0.000 2.598 176 M HA 0.322 4.796 4.480 -0.009 0.000 0.317 176 M C -1.559 174.758 176.300 0.027 0.000 1.179 176 M CA -2.147 53.150 55.300 -0.004 0.000 0.936 176 M CB 2.730 35.304 32.600 -0.044 0.000 1.713 176 M HN 0.021 8.313 8.290 0.003 0.000 0.460 177 R N 1.779 122.253 120.500 -0.042 0.000 2.561 177 R HA 0.585 4.874 4.340 -0.342 -0.154 0.297 177 R C -1.625 174.564 176.300 -0.185 0.000 0.969 177 R CA -1.163 54.825 56.100 -0.186 0.000 0.879 177 R CB 3.142 33.365 30.300 -0.127 0.000 1.178 177 R HN 0.198 8.440 8.270 -0.046 0.000 0.445 178 L N 4.845 125.922 121.223 -0.243 0.000 2.325 178 L HA 0.391 4.641 4.340 -0.150 0.000 0.281 178 L C -1.032 175.723 176.870 -0.191 0.000 1.004 178 L CA -1.422 53.308 54.840 -0.183 0.000 0.823 178 L CB 3.278 45.236 42.059 -0.168 0.000 1.236 178 L HN 0.592 8.637 8.230 -0.308 0.000 0.415 179 D N 8.743 129.057 120.400 -0.144 0.000 3.008 179 D HA 0.035 4.594 4.640 -0.135 0.000 0.242 179 D C -1.082 175.153 176.300 -0.108 0.000 1.222 179 D CA 0.512 54.439 54.000 -0.122 0.000 0.883 179 D CB -1.553 39.192 40.800 -0.090 0.000 1.110 179 D HN 0.392 8.686 8.370 -0.126 0.000 0.455 180 L N -6.571 114.581 121.223 -0.118 0.000 2.505 180 L HA 0.626 5.118 4.340 -0.086 -0.204 0.259 180 L C -2.796 174.018 176.870 -0.094 0.000 0.952 180 L CA -0.985 53.795 54.840 -0.100 0.000 0.840 180 L CB 3.177 45.171 42.059 -0.107 0.000 1.358 180 L HN -0.594 7.459 8.230 -0.136 0.095 0.409 181 A N 0.143 122.924 122.820 -0.064 0.000 3.865 181 A HA 0.506 4.801 4.320 -0.041 0.000 0.284 181 A C -0.579 177.002 177.584 -0.006 0.000 1.105 181 A CA -0.576 51.437 52.037 -0.039 0.000 0.605 181 A CB 1.633 20.608 19.000 -0.042 0.000 1.594 181 A HN 0.163 8.574 8.150 -0.056 -0.295 0.741 182 G N -1.132 107.674 108.800 0.010 0.000 2.440 182 G HA2 -0.360 3.642 3.960 0.071 0.000 0.218 182 G HA3 -0.360 3.611 3.960 0.019 0.000 0.218 182 G C 0.971 175.881 174.900 0.018 0.000 1.154 182 G CA 2.186 47.305 45.100 0.031 0.000 0.767 182 G HN 0.095 8.385 8.290 0.001 0.000 0.552 183 R N 0.696 121.191 120.500 -0.007 0.000 2.096 183 R HA -0.311 4.020 4.340 -0.015 0.000 0.235 183 R C 1.674 177.969 176.300 -0.008 0.000 1.127 183 R CA 3.469 59.559 56.100 -0.017 0.000 0.968 183 R CB -0.109 30.166 30.300 -0.040 0.000 0.861 183 R HN -0.117 8.144 8.270 -0.015 0.000 0.440 184 D N -0.637 119.757 120.400 -0.010 0.000 2.144 184 D HA -0.201 4.437 4.640 -0.003 0.000 0.200 184 D C 2.372 178.700 176.300 0.046 0.000 0.978 184 D CA 3.516 57.515 54.000 -0.002 0.000 0.833 184 D CB -0.132 40.648 40.800 -0.033 0.000 0.961 184 D HN -0.659 7.700 8.370 -0.018 0.000 0.470 185 L N -0.913 120.344 121.223 0.057 0.000 2.093 185 L HA -0.294 4.140 4.340 0.156 0.000 0.208 185 L C 2.277 179.205 176.870 0.097 0.000 1.085 185 L CA 3.093 57.999 54.840 0.110 0.000 0.755 185 L CB -0.419 41.712 42.059 0.120 0.000 0.904 185 L HN -0.535 7.636 8.230 0.041 0.084 0.435 186 T N 2.210 116.792 114.554 0.047 0.000 2.708 186 T HA -0.386 3.950 4.350 -0.023 0.000 0.266 186 T C 1.936 176.634 174.700 -0.003 0.000 1.037 186 T CA 5.689 67.788 62.100 -0.002 0.000 1.146 186 T CB -0.590 68.267 68.868 -0.020 0.000 0.865 186 T HN -0.089 8.175 8.240 0.041 0.000 0.435 187 D N 1.586 122.002 120.400 0.027 0.000 2.149 187 D HA -0.213 4.440 4.640 0.021 0.000 0.198 187 D C 2.109 178.467 176.300 0.097 0.000 0.990 187 D CA 3.393 57.418 54.000 0.042 0.000 0.839 187 D CB -0.685 40.136 40.800 0.035 0.000 0.948 187 D HN -0.207 8.179 8.370 0.027 0.000 0.460 188 Y N 1.083 121.367 120.300 -0.025 0.000 2.200 188 Y HA -0.290 4.252 4.550 -0.013 0.000 0.290 188 Y C 1.547 177.428 175.900 -0.032 0.000 1.137 188 Y CA 2.585 60.674 58.100 -0.019 0.000 1.163 188 Y CB 0.075 38.532 38.460 -0.005 0.000 0.988 188 Y HN -0.429 7.984 8.280 0.221 0.000 0.518 189 L N -0.276 120.867 121.223 -0.133 0.000 2.083 189 L HA -0.422 3.698 4.340 -0.367 0.000 0.209 189 L C 1.811 178.559 176.870 -0.203 0.000 1.083 189 L CA 2.942 57.633 54.840 -0.248 0.000 0.752 189 L CB -0.395 41.547 42.059 -0.196 0.000 0.899 189 L HN -0.211 8.006 8.230 -0.021 0.000 0.433 190 M N -1.723 117.801 119.600 -0.128 0.000 2.080 190 M HA -0.602 3.814 4.480 -0.107 0.000 0.260 190 M C 2.016 178.332 176.300 0.027 0.000 1.068 190 M CA 4.809 60.078 55.300 -0.052 0.000 1.109 190 M CB -0.395 32.210 32.600 0.009 0.000 1.342 190 M HN -0.051 8.180 8.290 -0.098 0.000 0.405 191 K N 0.068 120.469 120.400 0.002 0.000 2.026 191 K HA -0.343 4.006 4.320 0.049 0.000 0.208 191 K C 2.360 178.944 176.600 -0.027 0.000 1.048 191 K CA 3.594 59.893 56.287 0.020 0.000 0.929 191 K CB -0.090 32.450 32.500 0.067 0.000 0.713 191 K HN -0.570 7.679 8.250 -0.001 0.000 0.439 192 I N -0.998 119.483 120.570 -0.150 0.000 2.179 192 I HA -0.451 3.632 4.170 -0.146 0.000 0.242 192 I C 2.181 178.270 176.117 -0.047 0.000 1.088 192 I CA 4.153 65.349 61.300 -0.174 0.000 1.357 192 I CB 0.115 37.904 38.000 -0.352 0.000 1.051 192 I HN -0.360 7.709 8.210 -0.236 0.000 0.409 193 L N -2.223 118.999 121.223 -0.002 0.000 2.156 193 L HA -0.360 4.065 4.340 0.141 0.000 0.208 193 L C 2.271 179.314 176.870 0.289 0.000 1.095 193 L CA 2.870 57.805 54.840 0.158 0.000 0.770 193 L CB -0.693 41.455 42.059 0.148 0.000 0.914 193 L HN -0.204 7.997 8.230 -0.047 0.000 0.439 194 T N 2.344 117.036 114.554 0.230 0.000 2.746 194 T HA -0.308 4.249 4.350 0.166 -0.107 0.267 194 T C 2.995 177.742 174.700 0.079 0.000 1.039 194 T CA 4.961 67.156 62.100 0.157 0.000 1.142 194 T CB -0.381 68.559 68.868 0.120 0.000 0.866 194 T HN -0.036 8.321 8.240 0.196 0.000 0.444 195 E N 1.251 121.485 120.200 0.056 0.000 2.153 195 E HA -0.250 4.107 4.350 0.013 0.000 0.194 195 E C 1.515 178.128 176.600 0.022 0.000 0.988 195 E CA 2.272 58.685 56.400 0.023 0.000 0.811 195 E CB -0.433 29.271 29.700 0.006 0.000 0.746 195 E HN -0.478 7.914 8.360 0.052 0.000 0.466 196 R N -3.410 117.128 120.500 0.064 0.000 2.323 196 R HA -0.120 4.240 4.340 0.033 0.000 0.198 196 R C 0.436 176.728 176.300 -0.014 0.000 0.988 196 R CA 0.261 56.406 56.100 0.075 0.000 1.041 196 R CB 0.197 30.604 30.300 0.178 0.000 0.926 196 R HN -0.633 7.684 8.270 0.092 0.009 0.476 197 G N -2.159 106.605 108.800 -0.060 0.000 2.184 197 G HA2 -0.314 3.551 3.960 -0.159 0.000 0.206 197 G HA3 -0.314 3.458 3.960 -0.314 0.000 0.206 197 G C -0.308 174.380 174.900 -0.353 0.000 0.995 197 G CA -0.388 44.574 45.100 -0.229 0.000 0.651 197 G HN -0.313 7.806 8.290 -0.000 0.172 0.511 198 Y N 1.532 121.799 120.300 -0.056 0.000 2.595 198 Y HA 0.138 4.547 4.550 -0.234 0.000 0.336 198 Y C -0.799 174.890 175.900 -0.351 0.000 0.996 198 Y CA -2.285 55.700 58.100 -0.191 0.000 1.260 198 Y CB -0.348 38.088 38.460 -0.039 0.000 1.108 198 Y HN -0.559 7.824 8.280 0.171 0.000 0.509 199 S N 3.974 119.512 115.700 -0.269 0.000 2.466 199 S HA -0.093 4.325 4.470 -0.086 0.000 0.286 199 S C -0.683 173.676 174.600 -0.403 0.000 1.221 199 S CA 0.237 58.307 58.200 -0.217 0.000 1.091 199 S CB 0.004 63.116 63.200 -0.148 0.000 0.956 199 S HN 0.547 8.706 8.310 -0.251 0.000 0.501 200 F N 8.887 128.860 119.950 0.039 0.000 2.445 200 F HA 0.154 4.840 4.527 0.025 -0.145 0.348 200 F C -0.798 175.009 175.800 0.011 0.000 1.125 200 F CA -0.501 57.512 58.000 0.022 0.000 0.983 200 F CB 1.378 40.382 39.000 0.007 0.000 1.198 200 F HN -0.064 8.342 8.300 0.177 0.000 0.436 201 V N -0.384 119.620 119.914 0.149 0.000 3.151 201 V HA 0.523 4.698 4.120 0.092 0.000 0.235 201 V C -0.327 175.810 176.094 0.071 0.000 1.501 201 V CA -0.266 62.087 62.300 0.089 0.000 1.211 201 V CB 2.346 34.198 31.823 0.048 0.000 1.049 201 V HN 0.899 9.573 8.190 0.127 -0.407 0.455 202 T N -1.117 113.480 114.554 0.071 0.000 2.770 202 T HA 0.178 4.556 4.350 0.046 0.000 0.281 202 T C 0.905 175.646 174.700 0.067 0.000 0.981 202 T CA -0.379 61.755 62.100 0.057 0.000 0.955 202 T CB 1.981 70.877 68.868 0.046 0.000 1.060 202 T HN -0.443 8.117 8.240 0.075 -0.276 0.531 203 T N 1.085 115.672 114.554 0.056 0.000 2.857 203 T HA -0.291 4.092 4.350 0.055 0.000 0.266 203 T C 1.560 176.297 174.700 0.063 0.000 1.048 203 T CA 4.570 66.704 62.100 0.057 0.000 1.139 203 T CB -0.427 68.475 68.868 0.056 0.000 0.874 203 T HN 0.234 8.504 8.240 0.050 0.000 0.455 204 A N 1.329 124.187 122.820 0.064 0.000 1.930 204 A HA -0.172 4.185 4.320 0.063 0.000 0.217 204 A C 2.151 179.800 177.584 0.109 0.000 1.175 204 A CA 2.706 54.786 52.037 0.071 0.000 0.627 204 A CB -0.876 18.160 19.000 0.059 0.000 0.815 204 A HN 0.046 8.230 8.150 0.057 0.000 0.443 205 E N -1.960 118.326 120.200 0.143 0.000 2.072 205 E HA -0.362 4.188 4.350 0.333 0.000 0.191 205 E C 2.164 178.897 176.600 0.221 0.000 0.985 205 E CA 2.946 59.512 56.400 0.277 0.000 0.801 205 E CB -0.134 29.747 29.700 0.302 0.000 0.750 205 E HN -0.694 7.738 8.360 0.120 0.000 0.452 206 R N -0.401 120.170 120.500 0.118 0.000 2.091 206 R HA -0.423 3.923 4.340 0.011 0.000 0.238 206 R C 1.939 178.236 176.300 -0.006 0.000 1.136 206 R CA 3.502 59.624 56.100 0.036 0.000 0.959 206 R CB -0.178 30.142 30.300 0.033 0.000 0.856 206 R HN -0.221 8.039 8.270 0.113 0.078 0.437 207 E N -1.987 118.229 120.200 0.026 0.000 2.110 207 E HA -0.263 4.089 4.350 0.004 0.000 0.193 207 E C 2.628 179.226 176.600 -0.003 0.000 0.988 207 E CA 2.880 59.289 56.400 0.016 0.000 0.804 207 E CB -0.742 28.981 29.700 0.039 0.000 0.745 207 E HN -0.504 7.886 8.360 0.049 0.000 0.458 208 I N -0.436 120.142 120.570 0.012 0.000 2.202 208 I HA -0.366 3.834 4.170 0.049 0.000 0.242 208 I C 2.128 178.102 176.117 -0.238 0.000 1.091 208 I CA 3.734 65.026 61.300 -0.012 0.000 1.368 208 I CB -0.034 38.037 38.000 0.118 0.000 1.058 208 I HN -0.902 7.329 8.210 0.051 0.010 0.410 209 V N -0.244 119.455 119.914 -0.358 0.000 2.343 209 V HA -0.547 3.184 4.120 -0.648 0.000 0.247 209 V C 1.858 177.780 176.094 -0.287 0.000 1.051 209 V CA 4.412 66.417 62.300 -0.492 0.000 1.036 209 V CB -0.918 30.585 31.823 -0.534 0.000 0.654 209 V HN -0.545 7.470 8.190 -0.293 0.000 0.451 210 R N 0.111 120.511 120.500 -0.167 0.000 2.091 210 R HA -0.396 3.889 4.340 -0.093 0.000 0.238 210 R C 1.863 178.102 176.300 -0.103 0.000 1.136 210 R CA 3.833 59.872 56.100 -0.102 0.000 0.959 210 R CB -0.342 29.926 30.300 -0.053 0.000 0.856 210 R HN 0.071 8.257 8.270 -0.139 0.000 0.437 211 D N -1.518 118.821 120.400 -0.101 0.000 2.117 211 D HA -0.170 4.456 4.640 -0.023 0.000 0.198 211 D C 2.336 178.555 176.300 -0.135 0.000 0.982 211 D CA 3.353 57.321 54.000 -0.053 0.000 0.828 211 D CB -0.085 40.750 40.800 0.059 0.000 0.967 211 D HN -0.653 7.577 8.370 -0.099 0.081 0.464 212 I N 0.122 120.455 120.570 -0.395 0.000 2.163 212 I HA -0.654 3.143 4.170 -0.621 0.000 0.243 212 I C 1.517 177.500 176.117 -0.223 0.000 1.085 212 I CA 3.918 64.894 61.300 -0.539 0.000 1.347 212 I CB -0.196 37.349 38.000 -0.759 0.000 1.044 212 I HN -0.176 7.760 8.210 -0.456 0.000 0.408 213 K N 0.297 120.597 120.400 -0.166 0.000 2.009 213 K HA -0.406 3.912 4.320 -0.004 0.000 0.210 213 K C 2.674 179.285 176.600 0.017 0.000 1.049 213 K CA 3.438 59.706 56.287 -0.032 0.000 0.929 213 K CB -0.186 32.308 32.500 -0.010 0.000 0.714 213 K HN -0.189 7.939 8.250 -0.205 0.000 0.440 214 E N -3.368 116.806 120.200 -0.044 0.000 2.150 214 E HA -0.237 4.029 4.350 -0.140 0.000 0.193 214 E C 1.673 178.257 176.600 -0.026 0.000 0.985 214 E CA 2.523 58.878 56.400 -0.075 0.000 0.814 214 E CB -0.059 29.595 29.700 -0.077 0.000 0.752 214 E HN -0.542 7.781 8.360 -0.062 0.000 0.466 215 K N -3.438 116.969 120.400 0.013 0.000 2.211 215 K HA -0.066 4.281 4.320 0.045 0.000 0.201 215 K C 1.387 178.037 176.600 0.084 0.000 1.052 215 K CA 1.900 58.222 56.287 0.058 0.000 0.973 215 K CB 0.886 33.458 32.500 0.120 0.000 0.766 215 K HN -0.437 7.793 8.250 -0.001 0.019 0.466 216 L N -5.229 116.046 121.223 0.087 0.000 2.749 216 L HA 0.228 4.652 4.340 0.139 0.000 0.242 216 L C -0.382 176.617 176.870 0.216 0.000 1.103 216 L CA -0.472 54.445 54.840 0.128 0.000 0.906 216 L CB 2.604 44.712 42.059 0.081 0.000 1.228 216 L HN -0.420 7.844 8.230 0.056 0.000 0.517 217 C N -1.535 117.901 119.300 0.228 0.000 2.520 217 C HA -0.127 4.605 4.460 0.231 -0.134 0.376 217 C C -1.044 174.242 174.990 0.493 0.000 1.268 217 C CA 1.596 60.796 59.018 0.303 0.000 2.414 217 C CB 1.048 28.973 27.740 0.307 0.000 2.521 217 C HN -0.718 7.625 8.230 0.190 0.000 0.618 218 Y N -3.223 117.234 120.300 0.263 0.000 2.656 218 Y HA 0.219 4.977 4.550 0.346 0.000 0.334 218 Y C -2.859 173.142 175.900 0.169 0.000 1.179 218 Y CA -1.639 56.612 58.100 0.252 0.000 1.050 218 Y CB 1.463 40.033 38.460 0.183 0.000 1.308 218 Y HN 0.135 8.454 8.280 0.065 0.000 0.456 219 V N 1.034 121.087 119.914 0.232 0.000 2.383 219 V HA 0.116 4.221 4.120 -0.024 0.000 0.275 219 V C -0.491 175.666 176.094 0.106 0.000 1.036 219 V CA -0.986 61.358 62.300 0.074 0.000 0.889 219 V CB 1.336 33.230 31.823 0.118 0.000 0.985 219 V HN 0.056 8.466 8.190 0.366 0.000 0.459 220 A N 6.711 129.507 122.820 -0.039 0.000 2.462 220 A HA -0.067 4.264 4.320 0.018 0.000 0.243 220 A C 0.147 177.671 177.584 -0.100 0.000 1.076 220 A CA 0.077 52.064 52.037 -0.084 0.000 0.773 220 A CB 0.940 19.778 19.000 -0.270 0.000 1.010 220 A HN 0.554 8.676 8.150 -0.046 0.000 0.493 221 L N 1.116 122.289 121.223 -0.083 0.000 2.072 221 L HA -0.117 4.147 4.340 -0.126 0.000 0.205 221 L C -0.671 176.119 176.870 -0.134 0.000 1.079 221 L CA 2.065 56.840 54.840 -0.108 0.000 0.752 221 L CB 0.676 42.691 42.059 -0.073 0.000 0.906 221 L HN 0.411 8.606 8.230 -0.058 0.000 0.436 222 D N -5.133 115.197 120.400 -0.117 0.000 2.473 222 D HA 0.064 4.656 4.640 -0.081 0.000 0.253 222 D C -0.333 175.924 176.300 -0.073 0.000 1.233 222 D CA -1.087 52.860 54.000 -0.088 0.000 0.908 222 D CB 1.441 42.193 40.800 -0.080 0.000 1.170 222 D HN -0.580 7.714 8.370 -0.127 0.000 0.558 223 F N 7.545 127.407 119.950 -0.146 0.000 2.102 223 F HA -0.399 4.047 4.527 -0.135 0.000 0.298 223 F C 0.533 176.326 175.800 -0.012 0.000 1.105 223 F CA 3.420 61.374 58.000 -0.076 0.000 1.239 223 F CB 0.832 39.835 39.000 0.005 0.000 0.991 223 F HN 0.459 8.838 8.300 0.132 0.000 0.474 224 E N -1.259 118.930 120.200 -0.018 0.000 2.077 224 E HA -0.509 3.748 4.350 -0.154 0.000 0.193 224 E C 2.518 179.031 176.600 -0.146 0.000 0.989 224 E CA 3.380 59.725 56.400 -0.092 0.000 0.800 224 E CB -0.571 29.142 29.700 0.022 0.000 0.746 224 E HN 0.046 8.532 8.360 0.119 -0.055 0.452 225 N N -0.017 118.607 118.700 -0.126 0.000 2.120 225 N HA -0.357 4.325 4.740 -0.097 0.000 0.188 225 N C 2.217 177.614 175.510 -0.188 0.000 1.024 225 N CA 2.909 55.883 53.050 -0.127 0.000 0.852 225 N CB 0.045 38.469 38.487 -0.105 0.000 1.003 225 N HN -0.341 8.284 8.380 -0.100 -0.305 0.424 226 E N 0.435 120.443 120.200 -0.321 0.000 2.106 226 E HA -0.306 3.822 4.350 -0.371 0.000 0.192 226 E C 2.179 178.599 176.600 -0.299 0.000 0.984 226 E CA 2.703 58.798 56.400 -0.507 0.000 0.806 226 E CB -0.338 28.698 29.700 -1.107 0.000 0.750 226 E HN -0.360 7.798 8.360 -0.338 0.000 0.458 227 M N -1.445 118.009 119.600 -0.242 0.000 2.108 227 M HA -0.345 4.236 4.480 0.169 0.000 0.261 227 M C 2.342 178.624 176.300 -0.030 0.000 1.066 227 M CA 2.593 57.862 55.300 -0.051 0.000 1.107 227 M CB -0.940 31.518 32.600 -0.236 0.000 1.356 227 M HN -0.103 7.941 8.290 -0.410 0.000 0.406 228 A N -1.126 121.651 122.820 -0.071 0.000 1.902 228 A HA -0.310 3.993 4.320 -0.029 0.000 0.217 228 A C 2.153 179.724 177.584 -0.022 0.000 1.181 228 A CA 3.222 55.235 52.037 -0.041 0.000 0.623 228 A CB -0.810 18.161 19.000 -0.047 0.000 0.818 228 A HN -0.257 7.828 8.150 -0.108 0.000 0.443 229 T N 1.159 115.694 114.554 -0.033 0.000 2.684 229 T HA -0.368 3.974 4.350 -0.012 0.000 0.267 229 T C 2.505 177.225 174.700 0.033 0.000 1.036 229 T CA 4.783 66.876 62.100 -0.011 0.000 1.148 229 T CB -0.065 68.782 68.868 -0.035 0.000 0.863 229 T HN -0.427 7.776 8.240 -0.063 0.000 0.436 230 A N 1.095 123.964 122.820 0.082 0.000 1.972 230 A HA -0.105 4.288 4.320 0.121 0.000 0.219 230 A C 1.366 178.987 177.584 0.061 0.000 1.169 230 A CA 2.412 54.522 52.037 0.121 0.000 0.635 230 A CB -0.590 18.549 19.000 0.231 0.000 0.810 230 A HN -0.228 7.978 8.150 0.093 0.000 0.446 231 A N -2.776 120.066 122.820 0.036 0.000 2.066 231 A HA -0.157 4.172 4.320 0.015 0.000 0.218 231 A C 0.725 178.317 177.584 0.013 0.000 1.157 231 A CA 1.917 53.964 52.037 0.016 0.000 0.670 231 A CB 0.244 19.247 19.000 0.004 0.000 0.804 231 A HN -0.326 7.827 8.150 0.034 0.017 0.453 232 S N -4.696 111.012 115.700 0.013 0.000 2.603 232 S HA 0.076 4.549 4.470 0.006 0.000 0.232 232 S C 0.536 175.143 174.600 0.010 0.000 1.016 232 S CA -0.009 58.195 58.200 0.008 0.000 0.976 232 S CB 1.137 64.338 63.200 0.001 0.000 0.921 232 S HN -0.427 7.744 8.310 0.016 0.149 0.516 233 S N 0.436 116.147 115.700 0.018 0.000 2.565 233 S HA 0.186 4.666 4.470 0.015 0.000 0.269 233 S C -1.191 173.427 174.600 0.030 0.000 1.153 233 S CA -1.289 56.923 58.200 0.019 0.000 0.835 233 S CB 1.074 64.283 63.200 0.016 0.000 1.122 233 S HN -0.724 7.600 8.310 0.024 0.000 0.462 234 S N 1.523 117.240 115.700 0.027 0.000 2.577 234 S HA 0.300 4.794 4.470 0.040 0.000 0.219 234 S C 1.584 176.207 174.600 0.038 0.000 0.962 234 S CA 0.136 58.356 58.200 0.034 0.000 0.921 234 S CB -0.050 63.166 63.200 0.027 0.000 0.789 234 S HN 0.384 8.707 8.310 0.021 0.000 0.497 235 S N 2.772 118.492 115.700 0.034 0.000 2.442 235 S HA -0.195 4.287 4.470 0.020 0.000 0.236 235 S C 0.869 175.494 174.600 0.041 0.000 1.007 235 S CA 2.381 60.597 58.200 0.027 0.000 0.965 235 S CB 0.118 63.326 63.200 0.013 0.000 0.773 235 S HN -0.271 7.990 8.310 0.031 0.068 0.504 236 L N -0.519 120.751 121.223 0.078 0.000 2.607 236 L HA 0.170 4.570 4.340 0.100 0.000 0.228 236 L C -0.378 176.574 176.870 0.137 0.000 1.123 236 L CA -1.069 53.850 54.840 0.131 0.000 0.890 236 L CB -0.496 41.708 42.059 0.241 0.000 1.103 236 L HN -0.292 7.955 8.230 0.084 0.033 0.468 237 E N 0.384 120.638 120.200 0.090 0.000 2.354 237 E HA 0.221 4.821 4.350 0.086 -0.199 0.269 237 E C -0.230 176.412 176.600 0.070 0.000 1.036 237 E CA 0.689 57.135 56.400 0.077 0.000 0.876 237 E CB 0.888 30.621 29.700 0.055 0.000 1.009 237 E HN -0.717 7.631 8.360 0.072 0.055 0.416 238 K N 2.436 122.879 120.400 0.072 0.000 2.469 238 K HA 0.343 4.699 4.320 0.061 0.000 0.254 238 K C -1.815 174.826 176.600 0.068 0.000 0.939 238 K CA -1.887 54.442 56.287 0.070 0.000 0.812 238 K CB 3.621 36.174 32.500 0.088 0.000 1.301 238 K HN 0.501 8.793 8.250 0.071 0.000 0.433 239 S N 1.385 117.128 115.700 0.072 0.000 2.568 239 S HA 0.869 5.577 4.470 0.078 -0.191 0.302 239 S C -1.272 173.408 174.600 0.132 0.000 1.082 239 S CA -1.365 56.883 58.200 0.080 0.000 1.009 239 S CB 2.427 65.658 63.200 0.051 0.000 1.069 239 S HN 0.276 8.625 8.310 0.065 0.000 0.500 240 Y N 3.529 123.816 120.300 -0.023 0.000 2.401 240 Y HA 0.113 4.655 4.550 -0.013 0.000 0.330 240 Y C -2.531 173.360 175.900 -0.015 0.000 1.071 240 Y CA -0.642 57.444 58.100 -0.023 0.000 1.049 240 Y CB 4.047 42.482 38.460 -0.042 0.000 1.239 240 Y HN 0.471 8.850 8.280 0.164 0.000 0.437 241 E N 7.680 127.718 120.200 -0.271 0.000 2.167 241 E HA 0.285 4.782 4.350 -0.007 -0.151 0.284 241 E C -1.008 175.545 176.600 -0.078 0.000 1.016 241 E CA -1.233 55.092 56.400 -0.124 0.000 0.817 241 E CB 1.140 30.756 29.700 -0.141 0.000 1.080 241 E HN 0.181 8.235 8.360 -0.510 0.000 0.397 242 L N 6.942 128.241 121.223 0.127 0.000 2.466 242 L HA 0.277 4.810 4.340 0.322 0.000 0.257 242 L C 0.324 177.260 176.870 0.110 0.000 1.189 242 L CA -2.148 52.817 54.840 0.209 0.000 0.813 242 L CB -1.809 40.390 42.059 0.233 0.000 1.118 242 L HN 0.742 9.051 8.230 0.132 0.000 0.471 243 P HA -0.100 4.350 4.420 0.050 0.000 0.219 243 P C -0.672 176.661 177.300 0.055 0.000 1.146 243 P CA 1.708 64.852 63.100 0.074 0.000 0.808 243 P CB -0.031 31.721 31.700 0.087 0.000 0.779 244 D N -5.725 114.714 120.400 0.065 0.000 2.349 244 D HA -0.086 4.575 4.640 0.034 0.000 0.224 244 D C 0.724 177.049 176.300 0.042 0.000 1.029 244 D CA -0.576 53.452 54.000 0.045 0.000 0.879 244 D CB -0.772 40.053 40.800 0.040 0.000 0.906 244 D HN -0.058 8.341 8.370 0.085 0.022 0.528 245 G N -0.258 108.568 108.800 0.044 0.000 2.225 245 G HA2 -0.492 3.641 3.960 0.021 0.000 0.254 245 G HA3 -0.492 3.484 3.960 0.027 0.000 0.254 245 G C -0.264 174.665 174.900 0.049 0.000 0.988 245 G CA -0.021 45.099 45.100 0.033 0.000 0.625 245 G HN -0.329 7.817 8.290 0.048 0.173 0.527 246 Q N 0.597 120.444 119.800 0.078 0.000 2.361 246 Q HA -0.139 4.260 4.340 0.099 0.000 0.276 246 Q C -0.711 175.353 176.000 0.107 0.000 1.022 246 Q CA 0.490 56.360 55.803 0.112 0.000 0.898 246 Q CB 0.964 29.810 28.738 0.181 0.000 1.246 246 Q HN -0.199 8.381 8.270 0.083 -0.260 0.410 247 V N 3.389 123.362 119.914 0.099 0.000 2.347 247 V HA 0.304 4.635 4.120 0.073 -0.166 0.280 247 V C -0.564 175.580 176.094 0.083 0.000 1.021 247 V CA -0.578 61.769 62.300 0.078 0.000 0.847 247 V CB 0.464 32.319 31.823 0.052 0.000 0.990 247 V HN 0.185 8.436 8.190 0.102 0.000 0.444 248 I N 8.320 128.909 120.570 0.031 0.000 2.385 248 I HA 0.250 4.378 4.170 -0.070 0.000 0.294 248 I C -1.682 174.423 176.117 -0.019 0.000 0.988 248 I CA -1.476 59.764 61.300 -0.102 0.000 1.265 248 I CB 2.563 40.310 38.000 -0.420 0.000 1.388 248 I HN 0.481 8.731 8.210 0.066 0.000 0.480 249 T N 9.614 124.166 114.554 -0.004 0.000 2.797 249 T HA 0.656 5.210 4.350 0.027 -0.187 0.279 249 T C -0.698 173.999 174.700 -0.004 0.000 0.991 249 T CA -0.202 61.909 62.100 0.018 0.000 0.979 249 T CB 1.022 69.915 68.868 0.041 0.000 0.943 249 T HN 0.232 8.481 8.240 0.014 0.000 0.444 250 I N 0.636 121.203 120.570 -0.005 0.000 2.785 250 I HA 0.628 4.860 4.170 -0.031 -0.081 0.302 250 I C -2.313 173.811 176.117 0.011 0.000 1.069 250 I CA -2.829 58.457 61.300 -0.024 0.000 1.045 250 I CB 3.379 41.337 38.000 -0.069 0.000 1.236 250 I HN 0.447 8.664 8.210 0.011 0.000 0.429 251 G N 1.145 109.939 108.800 -0.009 0.000 2.477 251 G HA2 0.212 4.388 3.960 0.100 0.000 0.197 251 G HA3 0.212 4.199 3.960 0.045 0.000 0.197 251 G C -0.232 174.638 174.900 -0.050 0.000 1.860 251 G CA 0.883 46.007 45.100 0.040 0.000 0.714 251 G HN 0.518 9.086 8.290 -0.046 -0.305 0.782 252 N N 0.066 118.656 118.700 -0.184 0.000 2.364 252 N HA -0.337 3.736 4.740 -1.111 0.000 0.183 252 N C 1.015 176.040 175.510 -0.809 0.000 1.022 252 N CA 2.224 54.858 53.050 -0.694 0.000 0.883 252 N CB -0.654 37.548 38.487 -0.476 0.000 0.965 252 N HN 0.267 8.579 8.380 -0.114 0.000 0.438 253 E N 0.425 120.385 120.200 -0.400 0.000 2.204 253 E HA -0.315 3.830 4.350 -0.341 0.000 0.195 253 E C 2.209 178.626 176.600 -0.305 0.000 0.990 253 E CA 3.345 59.549 56.400 -0.327 0.000 0.821 253 E CB -0.932 28.634 29.700 -0.224 0.000 0.750 253 E HN 0.501 8.667 8.360 -0.281 0.025 0.477 254 R N -1.985 118.367 120.500 -0.246 0.000 2.103 254 R HA -0.295 4.022 4.340 -0.037 0.000 0.242 254 R C 2.149 178.325 176.300 -0.208 0.000 1.142 254 R CA 3.155 59.199 56.100 -0.093 0.000 0.960 254 R CB 0.191 30.595 30.300 0.174 0.000 0.858 254 R HN -0.380 7.737 8.270 -0.221 0.021 0.439 255 F N -4.784 114.975 119.950 -0.318 0.000 2.717 255 F HA 0.756 5.222 4.527 -0.459 -0.214 0.297 255 F C 1.291 177.087 175.800 -0.007 0.000 1.113 255 F CA -1.729 56.040 58.000 -0.386 0.000 1.319 255 F CB -0.014 38.575 39.000 -0.686 0.000 1.097 255 F HN -0.776 7.024 8.300 -0.833 0.000 0.595 256 R N 1.067 121.433 120.500 -0.223 0.000 2.096 256 R HA -0.392 4.275 4.340 0.545 0.000 0.235 256 R C 1.669 178.120 176.300 0.251 0.000 1.127 256 R CA 3.923 60.135 56.100 0.188 0.000 0.968 256 R CB -0.521 29.787 30.300 0.013 0.000 0.861 256 R HN 0.158 8.047 8.270 -0.635 0.000 0.440 257 C N -0.642 118.684 119.300 0.044 0.000 2.455 257 C HA -0.144 4.496 4.460 0.300 0.000 0.281 257 C C -0.485 174.548 174.990 0.071 0.000 1.237 257 C CA 4.133 63.218 59.018 0.112 0.000 1.726 257 C CB -1.250 26.469 27.740 -0.036 0.000 2.068 257 C HN -0.682 7.487 8.230 -0.080 0.013 0.466 258 P HA -0.100 4.112 4.420 -0.348 0.000 0.233 258 P C 1.063 178.269 177.300 -0.157 0.000 1.167 258 P CA 1.434 64.317 63.100 -0.362 0.000 0.770 258 P CB -1.064 30.058 31.700 -0.963 0.000 0.837 259 E N 0.258 120.418 120.200 -0.067 0.000 2.219 259 E HA -0.368 3.948 4.350 -0.057 0.000 0.198 259 E C 1.539 177.905 176.600 -0.390 0.000 0.998 259 E CA 2.784 59.076 56.400 -0.180 0.000 0.818 259 E CB -1.281 28.216 29.700 -0.337 0.000 0.741 259 E HN -0.341 7.991 8.360 -0.002 0.026 0.477 260 T N 1.516 115.880 114.554 -0.316 0.000 2.778 260 T HA -0.354 3.838 4.350 -0.584 -0.193 0.269 260 T C 1.701 176.217 174.700 -0.307 0.000 1.050 260 T CA 4.393 66.273 62.100 -0.367 0.000 1.137 260 T CB -0.333 68.419 68.868 -0.194 0.000 0.860 260 T HN -0.630 7.517 8.240 -0.123 0.019 0.468 261 L N -0.854 120.211 121.223 -0.262 0.000 2.127 261 L HA -0.391 3.767 4.340 -0.302 0.000 0.211 261 L C 1.669 178.251 176.870 -0.481 0.000 1.089 261 L CA 3.080 57.700 54.840 -0.367 0.000 0.757 261 L CB -0.536 41.250 42.059 -0.455 0.000 0.899 261 L HN -0.421 7.564 8.230 -0.219 0.114 0.434 262 F N -5.032 114.783 119.950 -0.225 0.000 2.530 262 F HA -0.041 4.495 4.527 0.015 0.000 0.292 262 F C 0.701 176.377 175.800 -0.206 0.000 1.109 262 F CA 1.716 59.612 58.000 -0.174 0.000 1.450 262 F CB 1.067 39.867 39.000 -0.335 0.000 1.114 262 F HN -0.563 7.574 8.300 -0.083 0.113 0.560 263 Q N -2.288 117.329 119.800 -0.306 0.000 2.907 263 Q HA 0.517 4.720 4.340 -0.229 0.000 0.262 263 Q C -2.063 173.689 176.000 -0.413 0.000 0.997 263 Q CA -2.490 53.054 55.803 -0.432 0.000 0.797 263 Q CB 0.036 28.262 28.738 -0.855 0.000 1.228 263 Q HN -0.240 7.692 8.270 -0.419 0.086 0.466 264 P HA -0.164 4.228 4.420 -0.207 -0.096 0.223 264 P C 1.048 178.283 177.300 -0.109 0.000 1.144 264 P CA 1.747 64.742 63.100 -0.176 0.000 0.783 264 P CB 0.176 31.795 31.700 -0.136 0.000 0.771 265 S N -1.670 113.998 115.700 -0.054 0.000 2.440 265 S HA -0.256 4.333 4.470 -0.000 -0.120 0.238 265 S C 2.063 176.734 174.600 0.118 0.000 1.010 265 S CA 2.699 60.918 58.200 0.032 0.000 0.972 265 S CB -0.562 62.679 63.200 0.069 0.000 0.774 265 S HN 0.060 8.298 8.310 -0.070 0.030 0.501 266 F N 1.160 120.983 119.950 -0.211 0.000 2.202 266 F HA -0.262 4.150 4.527 -0.191 0.000 0.301 266 F C 1.050 176.573 175.800 -0.461 0.000 1.082 266 F CA 2.289 60.104 58.000 -0.308 0.000 1.313 266 F CB 0.540 39.298 39.000 -0.403 0.000 1.024 266 F HN -0.546 7.848 8.300 0.207 0.029 0.495 267 I N -7.377 113.056 120.570 -0.229 0.000 3.877 267 I HA 0.320 4.341 4.170 -0.248 0.000 0.332 267 I C 0.171 176.224 176.117 -0.108 0.000 1.525 267 I CA -0.719 60.438 61.300 -0.239 0.000 1.146 267 I CB -0.819 37.013 38.000 -0.279 0.000 1.137 267 I HN -0.561 7.532 8.210 -0.171 0.014 0.424 268 G N 0.284 109.044 108.800 -0.067 0.000 2.143 268 G HA2 -0.415 3.530 3.960 -0.025 0.000 0.248 268 G HA3 -0.415 3.523 3.960 -0.037 0.000 0.248 268 G C -0.821 174.054 174.900 -0.042 0.000 0.991 268 G CA 0.427 45.504 45.100 -0.039 0.000 0.689 268 G HN -0.264 7.812 8.290 -0.055 0.181 0.522 269 M N -0.515 119.052 119.600 -0.055 0.000 2.264 269 M HA 0.156 4.607 4.480 -0.049 0.000 0.352 269 M C 0.020 176.292 176.300 -0.047 0.000 1.173 269 M CA -0.461 54.805 55.300 -0.056 0.000 1.075 269 M CB 1.148 33.702 32.600 -0.076 0.000 1.621 269 M HN -0.702 7.549 8.290 -0.066 0.000 0.457 270 E N 1.990 122.167 120.200 -0.040 0.000 2.502 270 E HA -0.097 4.237 4.350 -0.026 0.000 0.194 270 E C -0.771 175.805 176.600 -0.041 0.000 1.062 270 E CA 0.138 56.518 56.400 -0.032 0.000 0.867 270 E CB -0.440 29.245 29.700 -0.025 0.000 0.888 270 E HN 0.427 8.764 8.360 -0.039 0.000 0.510 271 S N 0.243 115.910 115.700 -0.056 0.000 2.579 271 S HA -0.088 4.347 4.470 -0.058 0.000 0.275 271 S C -0.979 173.578 174.600 -0.072 0.000 1.345 271 S CA -0.145 58.016 58.200 -0.065 0.000 1.031 271 S CB 0.737 63.889 63.200 -0.081 0.000 0.892 271 S HN -0.653 7.550 8.310 -0.060 0.070 0.529 272 A N 3.032 125.806 122.820 -0.076 0.000 2.483 272 A HA -0.196 4.169 4.320 -0.089 -0.098 0.238 272 A C 0.067 177.581 177.584 -0.117 0.000 1.070 272 A CA 0.289 52.267 52.037 -0.097 0.000 0.770 272 A CB 0.483 19.421 19.000 -0.103 0.000 1.008 272 A HN 0.091 8.199 8.150 -0.071 0.000 0.497 273 G N -0.101 108.630 108.800 -0.115 0.000 2.599 273 G HA2 0.266 4.234 3.960 -0.117 0.000 0.264 273 G HA3 0.266 4.454 3.960 0.078 -0.181 0.264 273 G C 0.505 175.333 174.900 -0.121 0.000 1.200 273 G CA -1.522 43.534 45.100 -0.073 0.000 0.896 273 G HN -0.247 8.280 8.290 -0.112 -0.305 0.536 274 I N -2.059 118.409 120.570 -0.170 0.000 2.454 274 I HA -0.175 3.901 4.170 -0.155 0.000 0.254 274 I C 1.162 177.263 176.117 -0.026 0.000 1.156 274 I CA 2.866 64.056 61.300 -0.183 0.000 1.433 274 I CB -0.083 37.711 38.000 -0.343 0.000 1.082 274 I HN 0.157 8.192 8.210 -0.292 0.000 0.432 275 H N -0.711 118.329 119.070 -0.051 0.000 2.357 275 H HA -0.005 4.621 4.556 0.117 0.000 0.301 275 H C 2.283 177.672 175.328 0.103 0.000 1.082 275 H CA 2.414 58.528 56.048 0.110 0.000 1.342 275 H CB -1.433 28.473 29.762 0.241 0.000 1.389 275 H HN 0.152 8.767 8.280 0.580 0.013 0.511 276 E N 0.078 119.933 120.200 -0.577 0.000 2.107 276 E HA -0.193 4.045 4.350 -0.185 0.000 0.191 276 E C 2.196 178.750 176.600 -0.077 0.000 0.982 276 E CA 2.833 59.041 56.400 -0.320 0.000 0.809 276 E CB -0.061 29.383 29.700 -0.427 0.000 0.756 276 E HN -0.438 7.347 8.360 -0.958 0.000 0.459 277 T N -2.181 112.311 114.554 -0.103 0.000 2.821 277 T HA -0.205 4.109 4.350 -0.060 0.000 0.267 277 T C 1.956 176.635 174.700 -0.035 0.000 1.046 277 T CA 4.541 66.602 62.100 -0.066 0.000 1.139 277 T CB -0.737 68.079 68.868 -0.085 0.000 0.871 277 T HN -0.223 7.930 8.240 -0.145 0.000 0.454 278 T N 4.477 119.030 114.554 -0.002 0.000 2.674 278 T HA -0.365 3.975 4.350 -0.016 0.000 0.265 278 T C 1.259 175.974 174.700 0.024 0.000 1.039 278 T CA 6.033 68.143 62.100 0.018 0.000 1.150 278 T CB -0.202 68.709 68.868 0.071 0.000 0.864 278 T HN -0.500 7.740 8.240 -0.000 0.000 0.427 279 Y N 2.125 122.410 120.300 -0.026 0.000 2.128 279 Y HA -0.516 4.032 4.550 -0.003 0.000 0.284 279 Y C 1.408 177.282 175.900 -0.043 0.000 1.154 279 Y CA 3.851 61.946 58.100 -0.008 0.000 1.149 279 Y CB -0.116 38.368 38.460 0.039 0.000 0.976 279 Y HN -0.439 7.978 8.280 0.229 0.000 0.505 280 N N -1.707 116.926 118.700 -0.111 0.000 2.149 280 N HA -0.509 4.057 4.740 -0.289 0.000 0.188 280 N C 2.178 177.559 175.510 -0.215 0.000 1.019 280 N CA 3.035 55.969 53.050 -0.192 0.000 0.857 280 N CB -0.180 38.267 38.487 -0.068 0.000 0.997 280 N HN 0.107 8.511 8.380 0.041 0.000 0.426 281 S N 0.358 115.957 115.700 -0.167 0.000 2.356 281 S HA -0.280 4.184 4.470 -0.163 -0.092 0.223 281 S C 2.427 176.895 174.600 -0.219 0.000 1.032 281 S CA 2.941 61.039 58.200 -0.169 0.000 1.005 281 S CB 0.105 63.229 63.200 -0.126 0.000 0.867 281 S HN -0.458 7.775 8.310 -0.129 0.000 0.449 282 I N 2.633 123.041 120.570 -0.270 0.000 2.264 282 I HA -0.448 3.550 4.170 -0.286 0.000 0.248 282 I C 1.472 177.402 176.117 -0.311 0.000 1.111 282 I CA 3.832 64.930 61.300 -0.336 0.000 1.382 282 I CB 0.035 37.717 38.000 -0.530 0.000 1.060 282 I HN -0.319 7.734 8.210 -0.261 0.000 0.418 283 M N -4.467 114.906 119.600 -0.377 0.000 2.557 283 M HA -0.217 4.110 4.480 -0.254 0.000 0.259 283 M C 1.292 177.493 176.300 -0.166 0.000 1.086 283 M CA 0.433 55.551 55.300 -0.304 0.000 1.096 283 M CB -1.492 30.843 32.600 -0.442 0.000 1.424 283 M HN -0.367 7.559 8.290 -0.461 0.089 0.488 284 K N -2.005 118.306 120.400 -0.149 0.000 2.365 284 K HA -0.055 4.255 4.320 -0.017 0.000 0.197 284 K C -0.186 176.430 176.600 0.027 0.000 1.042 284 K CA 0.097 56.349 56.287 -0.059 0.000 0.987 284 K CB -0.143 32.287 32.500 -0.116 0.000 0.779 284 K HN -0.542 7.457 8.250 -0.187 0.138 0.484 285 C N -0.411 118.854 119.300 -0.059 0.000 2.443 285 C HA -0.102 4.400 4.460 0.070 0.000 0.369 285 C C -1.182 173.790 174.990 -0.029 0.000 1.241 285 C CA -0.090 58.915 59.018 -0.022 0.000 2.413 285 C CB 1.755 29.433 27.740 -0.103 0.000 2.451 285 C HN -0.545 7.458 8.230 -0.120 0.155 0.595 286 D N 2.519 122.894 120.400 -0.042 0.000 2.586 286 D HA -0.155 4.453 4.640 -0.054 0.000 0.234 286 D C 1.365 177.621 176.300 -0.073 0.000 1.132 286 D CA 1.379 55.334 54.000 -0.075 0.000 0.860 286 D CB 0.716 41.433 40.800 -0.138 0.000 1.159 286 D HN 0.240 8.589 8.370 -0.034 0.000 0.490 287 I N 6.301 126.844 120.570 -0.046 0.000 2.315 287 I HA -0.428 3.731 4.170 -0.018 0.000 0.251 287 I C 0.801 176.907 176.117 -0.018 0.000 1.125 287 I CA 2.181 63.468 61.300 -0.023 0.000 1.392 287 I CB 0.295 38.290 38.000 -0.007 0.000 1.065 287 I HN 0.411 8.597 8.210 -0.040 0.000 0.424 288 D N -0.704 119.671 120.400 -0.041 0.000 2.312 288 D HA -0.153 4.484 4.640 -0.005 0.000 0.211 288 D C 1.373 177.651 176.300 -0.036 0.000 0.964 288 D CA 2.751 56.732 54.000 -0.031 0.000 0.877 288 D CB -0.073 40.702 40.800 -0.042 0.000 0.924 288 D HN 0.012 8.671 8.370 -0.056 -0.322 0.515 289 I N -9.553 110.966 120.570 -0.084 0.000 4.018 289 I HA 0.400 4.565 4.170 -0.008 0.000 0.337 289 I C 0.219 176.326 176.117 -0.017 0.000 1.327 289 I CA -0.540 60.719 61.300 -0.068 0.000 1.100 289 I CB 1.051 38.913 38.000 -0.229 0.000 1.025 289 I HN -0.413 7.699 8.210 -0.106 0.034 0.396 290 R N 1.393 121.884 120.500 -0.016 0.000 2.096 290 R HA -0.396 3.870 4.340 -0.124 0.000 0.235 290 R C 1.738 178.106 176.300 0.114 0.000 1.127 290 R CA 3.938 60.023 56.100 -0.025 0.000 0.968 290 R CB -0.594 29.714 30.300 0.014 0.000 0.861 290 R HN -0.663 7.598 8.270 -0.014 0.000 0.440 291 K N -1.108 119.396 120.400 0.174 0.000 2.074 291 K HA -0.317 4.193 4.320 0.317 0.000 0.209 291 K C 1.695 178.401 176.600 0.178 0.000 1.048 291 K CA 3.501 59.916 56.287 0.215 0.000 0.926 291 K CB -0.528 32.051 32.500 0.132 0.000 0.713 291 K HN 0.193 8.521 8.250 0.130 0.000 0.444 292 D N -1.160 119.314 120.400 0.122 0.000 2.144 292 D HA -0.214 4.493 4.640 0.112 0.000 0.200 292 D C 1.600 177.957 176.300 0.094 0.000 0.978 292 D CA 2.593 56.660 54.000 0.112 0.000 0.833 292 D CB -0.362 40.514 40.800 0.125 0.000 0.961 292 D HN -0.739 7.695 8.370 0.107 0.000 0.470 293 L N -2.420 118.831 121.223 0.045 0.000 2.027 293 L HA -0.329 4.017 4.340 0.011 0.000 0.206 293 L C 2.639 179.511 176.870 0.003 0.000 1.074 293 L CA 3.174 58.001 54.840 -0.021 0.000 0.745 293 L CB -0.093 41.883 42.059 -0.139 0.000 0.898 293 L HN -0.691 7.472 8.230 0.028 0.083 0.433 294 Y N -1.290 119.041 120.300 0.051 0.000 2.207 294 Y HA -0.439 4.150 4.550 0.065 0.000 0.287 294 Y C 1.482 177.415 175.900 0.054 0.000 1.156 294 Y CA 3.697 61.832 58.100 0.058 0.000 1.182 294 Y CB -0.835 37.662 38.460 0.061 0.000 0.979 294 Y HN 0.045 8.373 8.280 0.079 0.000 0.521 295 A N -5.117 117.830 122.820 0.211 0.000 2.238 295 A HA -0.037 4.362 4.320 0.130 0.000 0.208 295 A C -0.819 176.825 177.584 0.100 0.000 1.177 295 A CA 0.966 53.084 52.037 0.135 0.000 0.804 295 A CB -0.349 18.717 19.000 0.110 0.000 0.823 295 A HN -0.634 7.627 8.150 0.206 0.013 0.482 296 N N -3.374 115.382 118.700 0.094 0.000 2.646 296 N HA 0.169 4.949 4.740 0.066 0.000 0.296 296 N C -1.794 173.750 175.510 0.057 0.000 1.886 296 N CA -0.483 52.608 53.050 0.069 0.000 0.855 296 N CB 1.004 39.529 38.487 0.063 0.000 1.336 296 N HN -0.481 7.782 8.380 0.100 0.176 0.496 297 N N 2.659 121.399 118.700 0.068 0.000 2.420 297 N HA 0.253 5.219 4.740 0.043 -0.201 0.262 297 N C -1.653 173.888 175.510 0.052 0.000 1.144 297 N CA 1.198 54.283 53.050 0.058 0.000 0.952 297 N CB 0.944 39.480 38.487 0.082 0.000 1.081 297 N HN -0.377 8.053 8.380 0.084 0.000 0.480 298 V N 5.197 125.133 119.914 0.037 0.000 2.417 298 V HA 0.590 4.921 4.120 0.038 -0.188 0.291 298 V C -0.964 175.147 176.094 0.028 0.000 1.024 298 V CA -0.891 61.429 62.300 0.032 0.000 0.861 298 V CB 1.703 33.539 31.823 0.023 0.000 0.985 298 V HN 0.369 8.576 8.190 0.029 0.000 0.436 299 M N 7.185 126.805 119.600 0.033 0.000 2.264 299 M HA 0.546 5.216 4.480 0.028 -0.172 0.352 299 M C -0.953 175.359 176.300 0.020 0.000 1.173 299 M CA -0.518 54.801 55.300 0.031 0.000 1.075 299 M CB 2.327 34.954 32.600 0.045 0.000 1.621 299 M HN 0.436 8.748 8.290 0.037 0.000 0.457 300 S N 0.299 116.007 115.700 0.014 0.000 2.546 300 S HA 0.210 4.684 4.470 0.007 0.000 0.274 300 S C -1.357 173.244 174.600 0.002 0.000 1.121 300 S CA -1.297 56.907 58.200 0.008 0.000 0.887 300 S CB 2.006 65.210 63.200 0.007 0.000 1.094 300 S HN 0.494 8.813 8.310 0.015 0.000 0.474 301 G N 4.778 113.572 108.800 -0.011 0.000 2.629 301 G HA2 -0.248 3.701 3.960 -0.018 0.000 0.686 301 G HA3 -0.248 3.855 3.960 -0.008 -0.148 0.686 301 G C -0.238 174.629 174.900 -0.056 0.000 1.232 301 G CA -0.452 44.635 45.100 -0.021 0.000 0.803 301 G HN 0.270 8.551 8.290 -0.015 0.000 0.638 302 G N -0.014 108.740 108.800 -0.076 0.000 2.450 302 G HA2 -0.300 3.566 3.960 -0.156 0.000 0.220 302 G HA3 -0.300 3.589 3.960 -0.118 0.000 0.220 302 G C 1.065 175.888 174.900 -0.129 0.000 1.130 302 G CA 2.169 47.196 45.100 -0.121 0.000 0.760 302 G HN 0.623 8.877 8.290 -0.060 0.000 0.557 303 T N 1.868 116.388 114.554 -0.056 0.000 3.160 303 T HA -0.035 4.285 4.350 -0.050 0.000 0.257 303 T C 0.979 175.734 174.700 0.092 0.000 1.147 303 T CA 3.210 65.319 62.100 0.015 0.000 1.064 303 T CB -0.195 68.720 68.868 0.079 0.000 0.949 303 T HN -0.465 7.738 8.240 -0.033 0.018 0.526 304 T N -1.005 113.565 114.554 0.026 0.000 3.144 304 T HA 0.124 4.562 4.350 0.145 0.000 0.249 304 T C 0.112 174.831 174.700 0.031 0.000 1.089 304 T CA 1.029 63.171 62.100 0.070 0.000 0.989 304 T CB -0.396 68.498 68.868 0.043 0.000 0.992 304 T HN -0.289 7.804 8.240 -0.010 0.141 0.540 305 M N 1.231 120.769 119.600 -0.103 0.000 2.558 305 M HA -0.016 4.421 4.480 -0.071 0.000 0.255 305 M C -0.260 175.974 176.300 -0.109 0.000 1.113 305 M CA -0.848 54.369 55.300 -0.139 0.000 1.097 305 M CB -0.728 31.743 32.600 -0.216 0.000 1.426 305 M HN -0.823 7.297 8.290 -0.181 0.061 0.488 306 Y N -0.045 120.289 120.300 0.056 0.000 2.721 306 Y HA -0.099 4.508 4.550 0.095 0.000 0.329 306 Y C -1.386 174.580 175.900 0.110 0.000 1.211 306 Y CA -0.528 57.630 58.100 0.096 0.000 1.512 306 Y CB -1.452 37.081 38.460 0.120 0.000 1.249 306 Y HN -0.511 7.700 8.280 -0.047 0.041 0.549 307 P HA -0.226 4.272 4.420 0.130 0.000 0.265 307 P C 0.243 177.685 177.300 0.237 0.000 1.187 307 P CA 1.310 64.523 63.100 0.189 0.000 0.766 307 P CB 0.421 32.207 31.700 0.143 0.000 0.820 308 G N 3.388 112.282 108.800 0.157 0.000 2.225 308 G HA2 -0.366 3.651 3.960 0.095 0.000 0.254 308 G HA3 -0.366 3.864 3.960 0.176 -0.164 0.254 308 G C 1.223 176.204 174.900 0.134 0.000 0.988 308 G CA 1.129 46.313 45.100 0.141 0.000 0.625 308 G HN 0.286 8.647 8.290 0.117 0.000 0.527 309 I N 1.970 122.651 120.570 0.185 0.000 2.315 309 I HA -0.447 3.862 4.170 0.232 0.000 0.248 309 I C 0.052 176.274 176.117 0.176 0.000 1.117 309 I CA 3.211 64.643 61.300 0.219 0.000 1.404 309 I CB -0.081 38.086 38.000 0.278 0.000 1.071 309 I HN -0.693 7.587 8.210 0.205 0.053 0.419 310 A N -0.344 122.553 122.820 0.128 0.000 1.902 310 A HA -0.296 4.094 4.320 0.115 0.000 0.217 310 A C 1.301 178.933 177.584 0.079 0.000 1.181 310 A CA 3.515 55.614 52.037 0.102 0.000 0.623 310 A CB -1.523 17.523 19.000 0.078 0.000 0.818 310 A HN 0.473 8.695 8.150 0.120 0.000 0.443 311 D N -1.695 118.739 120.400 0.056 0.000 2.144 311 D HA -0.225 4.430 4.640 0.026 0.000 0.199 311 D C 2.651 178.949 176.300 -0.002 0.000 0.984 311 D CA 3.309 57.324 54.000 0.025 0.000 0.834 311 D CB -0.606 40.202 40.800 0.013 0.000 0.955 311 D HN -0.008 8.399 8.370 0.061 0.000 0.465 312 R N -0.105 120.381 120.500 -0.024 0.000 2.075 312 R HA -0.233 4.006 4.340 -0.169 0.000 0.232 312 R C 1.891 178.151 176.300 -0.067 0.000 1.126 312 R CA 2.197 58.212 56.100 -0.141 0.000 0.963 312 R CB -0.432 29.675 30.300 -0.322 0.000 0.858 312 R HN -0.378 7.894 8.270 0.003 0.000 0.435 313 M N 0.209 119.870 119.600 0.101 0.000 2.175 313 M HA -0.300 4.338 4.480 0.265 0.000 0.264 313 M C 1.433 177.806 176.300 0.122 0.000 1.063 313 M CA 2.607 58.022 55.300 0.193 0.000 1.119 313 M CB -0.562 32.175 32.600 0.228 0.000 1.377 313 M HN -0.101 8.270 8.290 0.136 0.000 0.415 314 Q N -0.530 119.319 119.800 0.081 0.000 2.061 314 Q HA -0.426 3.963 4.340 0.081 0.000 0.204 314 Q C 2.007 178.030 176.000 0.038 0.000 0.984 314 Q CA 3.683 59.524 55.803 0.062 0.000 0.846 314 Q CB -0.408 28.356 28.738 0.043 0.000 0.902 314 Q HN 0.019 8.333 8.270 0.075 0.000 0.421 315 K N -1.118 119.285 120.400 0.004 0.000 2.026 315 K HA -0.363 3.945 4.320 -0.019 0.000 0.208 315 K C 2.415 179.006 176.600 -0.015 0.000 1.048 315 K CA 3.336 59.609 56.287 -0.024 0.000 0.929 315 K CB -0.180 32.281 32.500 -0.064 0.000 0.713 315 K HN -0.596 7.651 8.250 -0.006 0.000 0.439 316 E N -1.215 118.981 120.200 -0.007 0.000 2.072 316 E HA -0.251 4.098 4.350 -0.000 0.000 0.191 316 E C 2.843 179.506 176.600 0.105 0.000 0.985 316 E CA 2.598 59.019 56.400 0.035 0.000 0.801 316 E CB -0.258 29.462 29.700 0.034 0.000 0.750 316 E HN -0.414 7.937 8.360 -0.015 0.000 0.452 317 I N -0.951 119.700 120.570 0.136 0.000 2.315 317 I HA -0.319 3.960 4.170 0.182 0.000 0.248 317 I C 1.933 178.094 176.117 0.075 0.000 1.117 317 I CA 2.119 63.516 61.300 0.162 0.000 1.404 317 I CB -1.375 36.766 38.000 0.234 0.000 1.071 317 I HN 0.277 8.570 8.210 0.138 0.000 0.419 318 T N 1.544 116.118 114.554 0.033 0.000 2.759 318 T HA -0.417 3.907 4.350 -0.043 0.000 0.269 318 T C 1.207 175.882 174.700 -0.041 0.000 1.042 318 T CA 5.004 67.092 62.100 -0.020 0.000 1.140 318 T CB -0.183 68.675 68.868 -0.017 0.000 0.864 318 T HN -0.309 7.957 8.240 0.043 0.000 0.455 319 A N -1.305 121.497 122.820 -0.031 0.000 2.015 319 A HA -0.125 4.166 4.320 -0.049 0.000 0.219 319 A C 1.107 178.635 177.584 -0.093 0.000 1.163 319 A CA 2.252 54.260 52.037 -0.049 0.000 0.646 319 A CB -0.179 18.802 19.000 -0.033 0.000 0.806 319 A HN -0.525 7.530 8.150 -0.014 0.087 0.448 320 L N -3.436 117.706 121.223 -0.135 0.000 2.354 320 L HA 0.019 4.150 4.340 -0.349 0.000 0.212 320 L C -0.212 176.487 176.870 -0.284 0.000 1.091 320 L CA 0.060 54.693 54.840 -0.345 0.000 0.828 320 L CB 0.750 42.446 42.059 -0.606 0.000 0.973 320 L HN -0.751 7.300 8.230 -0.087 0.127 0.461 321 A N -2.191 120.567 122.820 -0.105 0.000 2.287 321 A HA 0.272 4.661 4.320 0.114 0.000 0.273 321 A C -2.597 174.928 177.584 -0.099 0.000 1.091 321 A CA -2.271 49.721 52.037 -0.076 0.000 0.817 321 A CB -0.570 18.204 19.000 -0.377 0.000 1.069 321 A HN -0.588 7.508 8.150 -0.091 0.000 0.492 322 P HA 0.012 4.415 4.420 -0.029 0.000 0.266 322 P C 0.418 177.663 177.300 -0.091 0.000 1.193 322 P CA -0.036 63.026 63.100 -0.063 0.000 0.770 322 P CB 0.759 32.433 31.700 -0.042 0.000 0.836 323 S N 1.864 117.530 115.700 -0.056 0.000 2.419 323 S HA -0.242 4.193 4.470 -0.058 0.000 0.233 323 S C 0.398 174.966 174.600 -0.053 0.000 1.016 323 S CA 2.103 60.272 58.200 -0.052 0.000 0.974 323 S CB -0.225 62.955 63.200 -0.033 0.000 0.786 323 S HN 0.261 8.547 8.310 -0.040 0.000 0.492 324 T N -2.533 111.990 114.554 -0.051 0.000 3.107 324 T HA 0.031 4.361 4.350 -0.034 0.000 0.249 324 T C -0.454 174.211 174.700 -0.057 0.000 1.096 324 T CA -0.369 61.706 62.100 -0.041 0.000 1.012 324 T CB 0.064 68.917 68.868 -0.024 0.000 0.977 324 T HN -0.457 7.723 8.240 -0.049 0.030 0.527 325 M N 3.777 123.313 119.600 -0.107 0.000 2.200 325 M HA -0.064 4.353 4.480 -0.104 0.000 0.355 325 M C -0.822 175.413 176.300 -0.107 0.000 1.283 325 M CA -0.039 55.170 55.300 -0.152 0.000 1.124 325 M CB 1.024 33.398 32.600 -0.377 0.000 1.625 325 M HN -0.721 7.437 8.290 -0.125 0.057 0.463 326 K N 6.233 126.606 120.400 -0.045 0.000 2.349 326 K HA 0.024 4.339 4.320 -0.009 0.000 0.288 326 K C -1.275 175.340 176.600 0.025 0.000 1.058 326 K CA -0.005 56.280 56.287 -0.003 0.000 0.953 326 K CB 0.387 32.902 32.500 0.025 0.000 0.997 326 K HN 0.143 8.378 8.250 -0.025 0.000 0.477 327 I N 4.493 125.081 120.570 0.029 0.000 2.465 327 I HA 0.092 4.548 4.170 0.139 -0.203 0.291 327 I C -1.273 174.891 176.117 0.080 0.000 1.014 327 I CA -1.205 60.144 61.300 0.082 0.000 1.093 327 I CB 2.629 40.668 38.000 0.064 0.000 1.267 327 I HN 0.220 8.439 8.210 0.015 0.000 0.431 328 K N 6.709 127.169 120.400 0.100 0.000 2.513 328 K HA 0.332 4.692 4.320 0.067 0.000 0.251 328 K C -2.167 174.485 176.600 0.086 0.000 0.939 328 K CA -1.691 54.643 56.287 0.079 0.000 0.793 328 K CB 3.917 36.458 32.500 0.068 0.000 1.241 328 K HN 0.152 8.477 8.250 0.126 0.000 0.431 329 I N 4.079 124.694 120.570 0.075 0.000 2.354 329 I HA 0.578 5.137 4.170 0.079 -0.341 0.292 329 I C -0.377 175.776 176.117 0.060 0.000 0.989 329 I CA -3.116 58.229 61.300 0.074 0.000 1.188 329 I CB 0.351 38.399 38.000 0.080 0.000 1.342 329 I HN 0.135 8.386 8.210 0.068 0.000 0.457 330 I N 7.488 128.091 120.570 0.055 0.000 2.355 330 I HA 0.149 4.346 4.170 0.044 0.000 0.288 330 I C -1.935 174.209 176.117 0.044 0.000 0.999 330 I CA -1.081 60.246 61.300 0.046 0.000 1.163 330 I CB 1.884 39.910 38.000 0.043 0.000 1.316 330 I HN 0.989 9.233 8.210 0.057 0.000 0.454 331 A N 7.398 130.243 122.820 0.041 0.000 2.842 331 A HA 0.618 4.959 4.320 0.036 0.000 0.339 331 A C -2.604 174.997 177.584 0.028 0.000 1.177 331 A CA -3.418 48.641 52.037 0.037 0.000 0.797 331 A CB 0.049 19.076 19.000 0.045 0.000 1.094 331 A HN 0.371 8.545 8.150 0.040 0.000 0.474 332 P HA 0.149 4.585 4.420 0.026 0.000 0.266 332 P C -1.226 176.082 177.300 0.014 0.000 1.195 332 P CA -0.811 62.304 63.100 0.024 0.000 0.768 332 P CB -0.401 31.318 31.700 0.031 0.000 0.838 333 P HA -0.209 4.209 4.420 -0.004 0.000 0.218 333 P C 0.085 177.378 177.300 -0.012 0.000 1.148 333 P CA 2.016 65.117 63.100 0.002 0.000 0.822 333 P CB 0.212 31.918 31.700 0.010 0.000 0.784 334 E N -4.270 115.935 120.200 0.009 0.000 2.403 334 E HA -0.008 4.338 4.350 -0.007 0.000 0.187 334 E C 0.618 177.212 176.600 -0.010 0.000 1.073 334 E CA 0.007 56.416 56.400 0.016 0.000 0.888 334 E CB -1.942 27.806 29.700 0.081 0.000 1.035 334 E HN 0.520 8.871 8.360 0.024 0.023 0.471 335 R N -1.205 119.275 120.500 -0.033 0.000 2.328 335 R HA -0.023 4.324 4.340 0.010 0.000 0.207 335 R C 1.126 177.377 176.300 -0.081 0.000 1.056 335 R CA 2.201 58.285 56.100 -0.027 0.000 1.016 335 R CB -0.611 29.681 30.300 -0.014 0.000 0.872 335 R HN -0.510 7.661 8.270 -0.034 0.078 0.471 336 K N -0.892 119.377 120.400 -0.218 0.000 2.280 336 K HA -0.189 3.991 4.320 -0.235 0.000 0.202 336 K C 0.870 177.303 176.600 -0.277 0.000 1.047 336 K CA 2.712 58.779 56.287 -0.366 0.000 0.942 336 K CB -0.079 32.000 32.500 -0.701 0.000 0.739 336 K HN 0.251 8.324 8.250 -0.248 0.028 0.457 337 Y N -5.274 115.046 120.300 0.033 0.000 2.641 337 Y HA 0.332 4.930 4.550 0.079 0.000 0.248 337 Y C -0.361 175.621 175.900 0.137 0.000 1.170 337 Y CA -3.055 55.092 58.100 0.079 0.000 1.201 337 Y CB -0.520 37.969 38.460 0.049 0.000 1.232 337 Y HN -0.223 7.986 8.280 -0.055 0.038 0.537 338 S N 2.432 118.246 115.700 0.189 0.000 2.383 338 S HA -0.417 4.143 4.470 0.150 0.000 0.229 338 S C 1.161 175.832 174.600 0.118 0.000 1.030 338 S CA 4.286 62.567 58.200 0.136 0.000 1.002 338 S CB -0.240 62.999 63.200 0.066 0.000 0.829 338 S HN -0.835 7.447 8.310 0.121 0.101 0.467 339 V N 0.712 120.697 119.914 0.117 0.000 2.261 339 V HA -0.375 3.748 4.120 0.005 0.000 0.246 339 V C 1.637 177.777 176.094 0.078 0.000 1.047 339 V CA 4.705 67.045 62.300 0.066 0.000 1.015 339 V CB -0.614 31.250 31.823 0.069 0.000 0.642 339 V HN 0.014 8.281 8.190 0.128 0.000 0.446 340 W N 0.610 121.925 121.300 0.025 0.000 2.335 340 W HA -0.356 4.298 4.660 -0.011 0.000 0.311 340 W C 1.736 178.256 176.519 0.002 0.000 1.213 340 W CA 4.075 61.422 57.345 0.003 0.000 1.274 340 W CB -0.183 29.266 29.460 -0.017 0.000 1.148 340 W HN -0.323 8.083 8.180 0.377 0.000 0.498 341 I N -1.546 119.205 120.570 0.303 0.000 2.208 341 I HA -0.622 3.665 4.170 0.195 0.000 0.245 341 I C 2.383 178.451 176.117 -0.082 0.000 1.097 341 I CA 4.324 65.724 61.300 0.166 0.000 1.363 341 I CB -0.266 37.886 38.000 0.253 0.000 1.051 341 I HN 0.141 8.600 8.210 0.416 0.000 0.413 342 G N -1.902 106.867 108.800 -0.053 0.000 2.442 342 G HA2 -0.365 3.583 3.960 -0.020 0.000 0.219 342 G HA3 -0.365 3.793 3.960 -0.050 -0.228 0.219 342 G C 1.075 175.869 174.900 -0.177 0.000 1.141 342 G CA 2.344 47.404 45.100 -0.068 0.000 0.763 342 G HN 0.136 8.424 8.290 -0.002 0.000 0.554 343 G N 0.511 109.130 108.800 -0.302 0.000 2.418 343 G HA2 -0.355 3.398 3.960 -0.346 0.000 0.217 343 G HA3 -0.355 3.332 3.960 -0.455 0.000 0.217 343 G C 0.883 175.481 174.900 -0.504 0.000 1.158 343 G CA 1.563 46.417 45.100 -0.411 0.000 0.771 343 G HN -0.326 7.703 8.290 -0.298 0.082 0.545 344 S N 1.722 117.019 115.700 -0.672 0.000 2.368 344 S HA -0.336 3.827 4.470 -0.512 0.000 0.225 344 S C 2.219 176.648 174.600 -0.285 0.000 1.030 344 S CA 3.114 60.983 58.200 -0.552 0.000 0.999 344 S CB -0.011 62.777 63.200 -0.686 0.000 0.844 344 S HN -0.391 7.425 8.310 -0.823 0.000 0.459 345 I N 1.289 121.719 120.570 -0.234 0.000 2.202 345 I HA -0.461 3.633 4.170 -0.127 0.000 0.242 345 I C 1.557 177.526 176.117 -0.247 0.000 1.091 345 I CA 3.538 64.738 61.300 -0.167 0.000 1.368 345 I CB 0.153 38.089 38.000 -0.107 0.000 1.058 345 I HN -0.320 7.749 8.210 -0.235 0.000 0.410 346 L N -0.496 120.521 121.223 -0.342 0.000 2.017 346 L HA -0.381 3.663 4.340 -0.494 0.000 0.208 346 L C 1.773 178.159 176.870 -0.806 0.000 1.073 346 L CA 3.025 57.523 54.840 -0.569 0.000 0.745 346 L CB -0.287 41.395 42.059 -0.629 0.000 0.894 346 L HN -0.279 7.767 8.230 -0.306 0.000 0.432 347 A N -3.668 118.728 122.820 -0.707 0.000 2.121 347 A HA -0.265 3.557 4.320 -0.829 0.000 0.218 347 A C 0.698 178.258 177.584 -0.040 0.000 1.154 347 A CA 2.290 54.048 52.037 -0.465 0.000 0.679 347 A CB -0.619 18.304 19.000 -0.128 0.000 0.795 347 A HN -0.186 7.618 8.150 -0.577 0.000 0.458 348 S N -4.156 111.487 115.700 -0.095 0.000 2.501 348 S HA -0.098 4.414 4.470 0.069 0.000 0.220 348 S C -0.033 174.568 174.600 0.002 0.000 0.997 348 S CA 0.055 58.255 58.200 0.001 0.000 0.919 348 S CB 0.458 63.645 63.200 -0.023 0.000 0.778 348 S HN -0.799 7.259 8.310 -0.179 0.145 0.523 349 L N 1.168 122.361 121.223 -0.050 0.000 2.455 349 L HA -0.028 4.289 4.340 -0.038 0.000 0.272 349 L C 1.524 178.415 176.870 0.035 0.000 1.174 349 L CA 0.155 54.975 54.840 -0.032 0.000 0.869 349 L CB 0.805 42.814 42.059 -0.083 0.000 1.130 349 L HN -0.881 7.169 8.230 -0.123 0.106 0.474 350 S N 5.140 120.853 115.700 0.022 0.000 2.370 350 S HA -0.293 4.211 4.470 0.055 0.000 0.226 350 S C 1.374 175.988 174.600 0.024 0.000 1.033 350 S CA 3.156 61.376 58.200 0.033 0.000 1.011 350 S CB -0.668 62.541 63.200 0.016 0.000 0.852 350 S HN 0.540 8.853 8.310 0.005 0.000 0.457 351 T N -2.251 112.304 114.554 0.001 0.000 3.072 351 T HA -0.115 4.221 4.350 -0.022 0.000 0.266 351 T C 0.289 174.970 174.700 -0.033 0.000 1.127 351 T CA 1.753 63.842 62.100 -0.019 0.000 1.107 351 T CB -0.738 68.110 68.868 -0.033 0.000 0.910 351 T HN 0.083 8.318 8.240 -0.008 0.000 0.513 352 F N 2.369 122.203 119.950 -0.194 0.000 2.615 352 F HA 0.047 4.364 4.527 -0.350 0.000 0.297 352 F C 0.774 176.373 175.800 -0.334 0.000 1.124 352 F CA 1.681 59.482 58.000 -0.333 0.000 1.451 352 F CB 1.004 39.735 39.000 -0.448 0.000 1.103 352 F HN -0.697 7.473 8.300 0.095 0.187 0.569 353 Q N -1.596 118.118 119.800 -0.143 0.000 2.170 353 Q HA -0.375 4.015 4.340 0.083 0.000 0.203 353 Q C 2.165 178.136 176.000 -0.047 0.000 0.976 353 Q CA 2.701 58.510 55.803 0.010 0.000 0.858 353 Q CB -1.092 27.747 28.738 0.168 0.000 0.907 353 Q HN -0.543 7.677 8.270 -0.020 0.037 0.433 354 Q N -4.135 115.590 119.800 -0.125 0.000 2.437 354 Q HA -0.162 4.162 4.340 -0.026 0.000 0.210 354 Q C 0.727 176.624 176.000 -0.173 0.000 0.972 354 Q CA 1.832 57.579 55.803 -0.095 0.000 0.903 354 Q CB -0.870 27.828 28.738 -0.066 0.000 0.967 354 Q HN 0.104 8.301 8.270 -0.122 0.000 0.486 355 M N -2.844 116.481 119.600 -0.459 0.000 2.510 355 M HA 0.020 4.356 4.480 -0.240 0.000 0.256 355 M C 0.030 176.074 176.300 -0.426 0.000 1.132 355 M CA 1.120 56.107 55.300 -0.521 0.000 1.105 355 M CB 1.000 33.082 32.600 -0.864 0.000 1.375 355 M HN -0.481 7.234 8.290 -0.669 0.174 0.477 356 W N -2.289 118.735 121.300 -0.460 0.000 2.257 356 W HA -0.268 4.353 4.660 -0.065 0.000 0.337 356 W C 0.477 177.016 176.519 0.034 0.000 1.321 356 W CA 0.299 57.557 57.345 -0.144 0.000 1.267 356 W CB -0.005 29.403 29.460 -0.088 0.000 1.187 356 W HN -0.935 6.924 8.180 -0.535 0.000 0.565 357 I N 4.604 125.438 120.570 0.439 0.000 2.396 357 I HA 0.108 4.596 4.170 0.259 -0.164 0.289 357 I C 0.608 176.968 176.117 0.406 0.000 1.056 357 I CA 0.042 61.556 61.300 0.357 0.000 1.365 357 I CB 0.186 38.415 38.000 0.382 0.000 1.407 357 I HN 0.395 8.918 8.210 0.521 0.000 0.509 358 T N 5.356 120.047 114.554 0.229 0.000 2.918 358 T HA 0.447 5.050 4.350 0.213 -0.124 0.283 358 T C 1.068 175.728 174.700 -0.068 0.000 1.001 358 T CA -1.988 60.200 62.100 0.146 0.000 1.041 358 T CB 2.237 71.140 68.868 0.060 0.000 1.028 358 T HN 0.015 8.618 8.240 0.163 -0.266 0.511 359 K N 2.831 123.161 120.400 -0.118 0.000 2.103 359 K HA -0.401 3.229 4.320 -1.151 0.000 0.207 359 K C 1.714 178.161 176.600 -0.255 0.000 1.048 359 K CA 3.122 59.147 56.287 -0.438 0.000 0.930 359 K CB -0.406 32.019 32.500 -0.125 0.000 0.716 359 K HN 0.058 8.335 8.250 0.044 0.000 0.444 360 Q N -0.634 119.094 119.800 -0.120 0.000 2.061 360 Q HA -0.342 3.951 4.340 -0.078 0.000 0.204 360 Q C 2.036 177.982 176.000 -0.090 0.000 0.984 360 Q CA 3.493 59.246 55.803 -0.082 0.000 0.846 360 Q CB -0.507 28.203 28.738 -0.046 0.000 0.902 360 Q HN 0.338 8.558 8.270 -0.083 0.000 0.421 361 E N -0.585 119.568 120.200 -0.077 0.000 2.077 361 E HA -0.346 3.973 4.350 -0.052 0.000 0.193 361 E C 2.303 178.846 176.600 -0.095 0.000 0.989 361 E CA 2.683 59.049 56.400 -0.057 0.000 0.800 361 E CB -0.122 29.577 29.700 -0.002 0.000 0.746 361 E HN -0.663 7.659 8.360 -0.063 0.000 0.452 362 Y N 1.374 121.478 120.300 -0.326 0.000 2.145 362 Y HA -0.340 4.064 4.550 -0.243 0.000 0.286 362 Y C 1.664 177.412 175.900 -0.253 0.000 1.145 362 Y CA 3.160 61.032 58.100 -0.381 0.000 1.148 362 Y CB 0.106 38.011 38.460 -0.926 0.000 0.981 362 Y HN -0.309 7.854 8.280 -0.194 0.000 0.507 363 D N -1.036 119.244 120.400 -0.199 0.000 2.149 363 D HA -0.263 4.252 4.640 -0.209 0.000 0.198 363 D C 2.079 178.262 176.300 -0.195 0.000 0.990 363 D CA 2.999 56.890 54.000 -0.182 0.000 0.839 363 D CB -0.489 40.259 40.800 -0.086 0.000 0.948 363 D HN -0.000 8.288 8.370 -0.136 0.000 0.460 364 E N -1.738 118.365 120.200 -0.161 0.000 2.112 364 E HA -0.127 4.158 4.350 -0.108 0.000 0.190 364 E C 0.864 177.378 176.600 -0.144 0.000 0.979 364 E CA 1.728 58.053 56.400 -0.124 0.000 0.814 364 E CB 0.487 30.137 29.700 -0.084 0.000 0.762 364 E HN -0.483 7.778 8.360 -0.147 0.012 0.460 365 A N -4.554 118.153 122.820 -0.188 0.000 2.312 365 A HA 0.293 4.538 4.320 -0.125 0.000 0.215 365 A C -0.845 176.604 177.584 -0.225 0.000 1.256 365 A CA -0.330 51.611 52.037 -0.158 0.000 0.966 365 A CB 1.496 20.441 19.000 -0.092 0.000 1.053 365 A HN -0.451 7.563 8.150 -0.225 0.000 0.510 366 G N -0.805 107.727 108.800 -0.447 0.000 2.760 366 G HA2 -0.226 3.147 3.960 -1.039 0.000 0.246 366 G HA3 -0.226 3.516 3.960 -0.363 0.000 0.246 366 G C -2.470 172.263 174.900 -0.279 0.000 1.359 366 G CA -0.552 44.202 45.100 -0.577 0.000 0.861 366 G HN -0.452 7.384 8.290 -0.572 0.111 0.541 367 P HA -0.221 4.473 4.420 0.457 0.000 0.219 367 P C 1.097 178.426 177.300 0.047 0.000 1.146 367 P CA 2.097 65.331 63.100 0.224 0.000 0.808 367 P CB 0.135 31.951 31.700 0.194 0.000 0.779 368 S N -2.348 113.360 115.700 0.014 0.000 2.440 368 S HA -0.283 4.378 4.470 0.049 -0.162 0.238 368 S C 1.873 176.465 174.600 -0.013 0.000 1.010 368 S CA 2.373 60.590 58.200 0.028 0.000 0.972 368 S CB -0.770 62.472 63.200 0.070 0.000 0.774 368 S HN 0.014 8.296 8.310 0.006 0.032 0.501 369 I N 2.030 122.597 120.570 -0.005 0.000 2.423 369 I HA -0.335 3.850 4.170 0.024 0.000 0.254 369 I C 1.108 177.214 176.117 -0.019 0.000 1.151 369 I CA 2.276 63.585 61.300 0.015 0.000 1.421 369 I CB 0.172 38.201 38.000 0.049 0.000 1.079 369 I HN -0.647 7.534 8.210 0.004 0.031 0.431 370 V N -0.299 119.536 119.914 -0.131 0.000 2.913 370 V HA -0.335 3.731 4.120 -0.091 0.000 0.260 370 V C -0.611 175.330 176.094 -0.255 0.000 1.098 370 V CA 1.150 63.326 62.300 -0.206 0.000 1.121 370 V CB -0.208 31.467 31.823 -0.246 0.000 0.714 370 V HN -0.529 7.526 8.190 -0.156 0.042 0.487 371 H N 0.000 119.087 119.070 0.028 0.000 2.539 371 H HA 0.000 4.563 4.556 0.012 0.000 0.296 371 H CA 0.000 56.062 56.048 0.024 0.000 1.023 371 H CB 0.000 29.779 29.762 0.029 0.000 1.292 371 H HN 0.000 8.064 8.280 -0.297 0.037 0.496