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 3lva_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKGAELFTGI VPILIELNGD VNGHKFSVSG EGEGDATYGK LTLKFICTTG DATA SEQUENCE KLPVPWPTLV TTLXXXVQCF SRYPDHMKQH DFFKSAMPEG YIQERTIFFE DATA SEQUENCE DDGNYKSRAE VKFEGDTLVN RIELTGTDFK EDGNILGNKM EYNYNAHNVY DATA SEQUENCE IMTDKAKNGI KVNFKIRHNI EDGSVQLADH YQQNTPIGDG PVLLPDNHYL DATA SEQUENCE STQSALSKDP NEKRDHMIYF GFVTAAAITH GMDELYK 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 2 S HA 0.000 4.437 4.470 -0.055 0.000 0.327 2 S C 0.000 174.580 174.600 -0.034 0.000 1.055 2 S CA 0.000 58.165 58.200 -0.059 0.000 1.107 2 S CB 0.000 63.153 63.200 -0.078 0.000 0.593 3 K N 3.244 123.626 120.400 -0.029 0.000 2.155 3 K HA 0.027 4.334 4.320 -0.021 0.000 0.203 3 K C 2.495 179.091 176.600 -0.006 0.000 1.052 3 K CA 1.786 58.060 56.287 -0.022 0.000 0.948 3 K CB -0.048 32.434 32.500 -0.029 0.000 0.728 3 K HN 0.380 8.610 8.250 -0.034 0.000 0.448 4 G N -1.998 106.807 108.800 0.009 0.000 2.442 4 G HA2 -0.243 3.750 3.960 0.056 0.000 0.219 4 G HA3 -0.243 3.994 3.960 0.084 -0.227 0.219 4 G C 0.954 175.967 174.900 0.188 0.000 1.141 4 G CA 1.422 46.568 45.100 0.077 0.000 0.763 4 G HN 0.023 8.308 8.290 -0.008 0.000 0.554 5 A N 1.144 124.031 122.820 0.111 0.000 2.070 5 A HA -0.284 4.169 4.320 0.223 0.000 0.220 5 A C 1.885 179.585 177.584 0.193 0.000 1.159 5 A CA 2.250 54.378 52.037 0.151 0.000 0.656 5 A CB -0.611 18.397 19.000 0.013 0.000 0.800 5 A HN -0.398 7.760 8.150 0.040 0.016 0.453 6 E N -0.842 119.414 120.200 0.092 0.000 2.265 6 E HA -0.290 4.089 4.350 0.049 0.000 0.196 6 E C 1.937 178.547 176.600 0.016 0.000 0.996 6 E CA 2.341 58.767 56.400 0.042 0.000 0.832 6 E CB -0.328 29.368 29.700 -0.008 0.000 0.756 6 E HN -0.593 7.774 8.360 0.059 0.028 0.491 7 L N -3.099 118.117 121.223 -0.012 0.000 2.551 7 L HA -0.150 4.028 4.340 -0.271 0.000 0.228 7 L C 0.710 177.407 176.870 -0.287 0.000 1.153 7 L CA 1.200 55.883 54.840 -0.262 0.000 0.851 7 L CB 0.086 41.804 42.059 -0.567 0.000 0.959 7 L HN -0.631 7.491 8.230 0.059 0.143 0.451 8 F N -5.269 114.720 119.950 0.064 0.000 2.683 8 F HA 0.277 4.922 4.527 0.197 0.000 0.306 8 F C 0.589 176.460 175.800 0.118 0.000 1.102 8 F CA -0.714 57.361 58.000 0.125 0.000 1.244 8 F CB 1.269 40.313 39.000 0.072 0.000 1.029 8 F HN -0.600 7.712 8.300 0.301 0.169 0.545 9 T N -2.659 112.011 114.554 0.193 0.000 3.072 9 T HA -0.049 4.389 4.350 0.146 0.000 0.266 9 T C 0.712 175.491 174.700 0.132 0.000 1.127 9 T CA 1.074 63.257 62.100 0.138 0.000 1.107 9 T CB 0.408 69.324 68.868 0.080 0.000 0.910 9 T HN -0.716 7.608 8.240 0.139 0.000 0.513 10 G N 1.093 109.974 108.800 0.135 0.000 3.107 10 G HA2 0.211 4.247 3.960 0.126 0.000 0.232 10 G HA3 0.211 4.226 3.960 0.092 0.000 0.232 10 G C -1.982 173.012 174.900 0.158 0.000 1.339 10 G CA -1.626 43.549 45.100 0.124 0.000 1.033 10 G HN -0.736 7.591 8.290 0.131 0.042 0.567 11 I N 0.003 120.642 120.570 0.116 0.000 2.396 11 I HA 0.265 4.691 4.170 0.119 -0.184 0.289 11 I C 0.042 176.216 176.117 0.096 0.000 1.056 11 I CA -2.136 59.223 61.300 0.098 0.000 1.365 11 I CB -0.618 37.411 38.000 0.048 0.000 1.407 11 I HN 0.076 8.341 8.210 0.092 0.000 0.509 12 V N 9.612 129.604 119.914 0.130 0.000 2.448 12 V HA 0.472 4.669 4.120 0.130 0.000 0.295 12 V C -2.079 174.045 176.094 0.050 0.000 1.025 12 V CA -3.479 58.916 62.300 0.157 0.000 0.859 12 V CB 2.457 34.497 31.823 0.363 0.000 0.988 12 V HN 0.337 8.609 8.190 0.136 0.000 0.431 13 P HA 0.175 4.697 4.420 -0.062 -0.139 0.271 13 P C -1.280 176.003 177.300 -0.027 0.000 1.218 13 P CA -0.424 62.662 63.100 -0.022 0.000 0.780 13 P CB 0.466 32.163 31.700 -0.005 0.000 0.901 14 I N 0.125 120.645 120.570 -0.082 0.000 2.608 14 I HA 0.732 5.087 4.170 -0.032 -0.204 0.295 14 I C -1.193 174.881 176.117 -0.072 0.000 1.049 14 I CA -1.413 59.843 61.300 -0.072 0.000 1.063 14 I CB 4.508 42.428 38.000 -0.132 0.000 1.248 14 I HN 0.209 8.353 8.210 -0.109 0.000 0.424 15 L N 5.703 126.901 121.223 -0.041 0.000 2.408 15 L HA 0.671 5.130 4.340 -0.047 -0.147 0.268 15 L C -2.356 174.519 176.870 0.008 0.000 0.986 15 L CA -1.026 53.797 54.840 -0.029 0.000 0.820 15 L CB 4.889 46.937 42.059 -0.019 0.000 1.303 15 L HN 0.340 8.551 8.230 -0.031 0.000 0.411 16 I N 3.840 124.434 120.570 0.040 0.000 2.533 16 I HA 0.640 5.061 4.170 0.091 -0.196 0.290 16 I C -1.784 174.409 176.117 0.127 0.000 1.056 16 I CA -1.113 60.256 61.300 0.114 0.000 1.057 16 I CB 3.531 41.680 38.000 0.248 0.000 1.240 16 I HN 0.612 8.837 8.210 0.024 0.000 0.423 17 E N 5.820 126.079 120.200 0.098 0.000 2.241 17 E HA 0.681 5.241 4.350 0.103 -0.149 0.263 17 E C -2.168 174.469 176.600 0.061 0.000 0.882 17 E CA -1.821 54.627 56.400 0.080 0.000 0.769 17 E CB 3.357 33.084 29.700 0.044 0.000 1.185 17 E HN 0.305 8.713 8.360 0.081 0.000 0.415 18 L N 5.545 126.803 121.223 0.058 0.000 2.362 18 L HA 0.568 5.075 4.340 -0.012 -0.175 0.275 18 L C -2.651 174.176 176.870 -0.071 0.000 0.998 18 L CA -1.468 53.372 54.840 0.000 0.000 0.820 18 L CB 3.764 45.836 42.059 0.022 0.000 1.270 18 L HN 0.465 8.746 8.230 0.084 0.000 0.415 19 N N 5.814 124.433 118.700 -0.134 0.000 2.408 19 N HA 0.450 5.046 4.740 -0.240 0.000 0.280 19 N C -1.332 173.942 175.510 -0.392 0.000 1.002 19 N CA -0.812 52.103 53.050 -0.226 0.000 0.907 19 N CB 3.299 41.698 38.487 -0.147 0.000 1.161 19 N HN 0.103 8.417 8.380 -0.111 0.000 0.488 20 G N 2.011 110.364 108.800 -0.744 0.000 2.563 20 G HA2 0.395 4.159 3.960 -0.672 0.000 0.302 20 G HA3 0.395 3.241 3.960 -1.856 0.000 0.302 20 G C -2.997 171.380 174.900 -0.872 0.000 1.301 20 G CA -0.854 43.595 45.100 -1.086 0.000 0.965 20 G HN 0.449 8.262 8.290 -0.796 0.000 0.480 21 D N 2.161 122.285 120.400 -0.461 0.000 2.375 21 D HA 0.446 5.208 4.640 -0.123 -0.196 0.241 21 D C -1.621 174.675 176.300 -0.006 0.000 1.361 21 D CA -0.495 53.406 54.000 -0.165 0.000 0.995 21 D CB 2.671 43.400 40.800 -0.118 0.000 1.312 21 D HN -0.224 7.916 8.370 -0.384 0.000 0.576 22 V N 5.675 125.678 119.914 0.150 0.000 2.350 22 V HA 0.204 4.676 4.120 0.177 -0.246 0.285 22 V C -0.381 175.839 176.094 0.211 0.000 1.014 22 V CA -1.276 61.128 62.300 0.174 0.000 0.831 22 V CB 1.841 33.721 31.823 0.095 0.000 1.000 22 V HN 0.010 8.349 8.190 0.248 0.000 0.433 23 N N 8.422 127.246 118.700 0.208 0.000 2.708 23 N HA -0.487 4.340 4.740 0.145 0.000 0.249 23 N C 0.047 175.557 175.510 -0.000 0.000 1.097 23 N CA 1.554 54.700 53.050 0.161 0.000 0.710 23 N CB -0.579 38.055 38.487 0.246 0.000 1.032 23 N HN 0.784 9.301 8.380 0.228 0.000 0.551 24 G N -4.534 104.254 108.800 -0.020 0.000 2.176 24 G HA2 -0.499 3.480 3.960 -0.068 0.000 0.253 24 G HA3 -0.499 3.363 3.960 -0.164 0.000 0.253 24 G C -0.492 174.303 174.900 -0.176 0.000 0.979 24 G CA 0.199 45.230 45.100 -0.116 0.000 0.641 24 G HN -0.191 8.283 8.290 0.030 -0.166 0.530 25 H N 3.102 122.197 119.070 0.042 0.000 2.864 25 H HA -0.023 4.558 4.556 0.042 0.000 0.281 25 H C -0.876 174.528 175.328 0.127 0.000 1.093 25 H CA -0.102 55.984 56.048 0.064 0.000 1.453 25 H CB -0.148 29.638 29.762 0.040 0.000 1.462 25 H HN -0.142 8.000 8.280 0.053 0.170 0.480 26 K N 5.640 126.134 120.400 0.156 0.000 2.211 26 K HA 0.424 4.900 4.320 -0.042 -0.181 0.275 26 K C -0.820 175.860 176.600 0.133 0.000 1.024 26 K CA -0.612 55.704 56.287 0.049 0.000 0.887 26 K CB 1.178 33.665 32.500 -0.021 0.000 1.084 26 K HN 0.367 8.687 8.250 0.117 0.000 0.463 27 F N 1.013 120.931 119.950 -0.054 0.000 2.664 27 F HA 0.479 4.976 4.527 -0.050 0.000 0.317 27 F C -2.314 173.449 175.800 -0.062 0.000 1.108 27 F CA -2.458 55.501 58.000 -0.068 0.000 0.957 27 F CB 3.080 42.008 39.000 -0.119 0.000 1.365 27 F HN 0.368 8.371 8.300 -0.494 0.000 0.475 28 S N -0.822 114.959 115.700 0.136 0.000 2.541 28 S HA 0.683 5.280 4.470 -0.049 -0.156 0.280 28 S C -1.448 173.258 174.600 0.177 0.000 1.112 28 S CA -1.892 56.343 58.200 0.058 0.000 0.925 28 S CB 2.376 65.594 63.200 0.030 0.000 1.067 28 S HN -0.087 8.355 8.310 0.220 0.000 0.479 29 V N 5.771 125.786 119.914 0.169 0.000 2.638 29 V HA 0.570 5.052 4.120 0.285 -0.192 0.306 29 V C -1.629 174.605 176.094 0.233 0.000 1.052 29 V CA -1.450 61.002 62.300 0.254 0.000 0.885 29 V CB 3.968 35.968 31.823 0.295 0.000 0.999 29 V HN 0.325 8.583 8.190 0.114 0.000 0.424 30 S N 5.407 121.260 115.700 0.255 0.000 2.503 30 S HA 0.875 5.606 4.470 0.181 -0.152 0.301 30 S C -1.054 173.693 174.600 0.246 0.000 1.087 30 S CA -1.700 56.620 58.200 0.201 0.000 1.042 30 S CB 2.656 65.927 63.200 0.118 0.000 1.043 30 S HN 0.339 8.812 8.310 0.272 0.000 0.489 31 G N 0.220 109.115 108.800 0.158 0.000 2.659 31 G HA2 0.827 4.875 3.960 -0.185 0.000 0.296 31 G HA3 0.827 4.660 3.960 -0.211 0.000 0.296 31 G C -3.014 171.773 174.900 -0.188 0.000 1.369 31 G CA -0.727 44.307 45.100 -0.109 0.000 0.937 31 G HN 0.594 8.967 8.290 0.139 0.000 0.485 32 E N -0.809 119.201 120.200 -0.317 0.000 2.392 32 E HA 0.938 5.347 4.350 -0.190 -0.173 0.279 32 E C -1.365 175.062 176.600 -0.288 0.000 0.964 32 E CA -1.924 54.337 56.400 -0.231 0.000 0.777 32 E CB 3.788 33.402 29.700 -0.142 0.000 1.249 32 E HN 0.001 8.107 8.360 -0.424 0.000 0.449 33 G N -1.050 107.611 108.800 -0.231 0.000 2.441 33 G HA2 0.429 4.260 3.960 -0.215 0.000 0.225 33 G HA3 0.429 4.665 3.960 -0.282 -0.446 0.225 33 G C -2.736 172.038 174.900 -0.209 0.000 1.200 33 G CA 0.958 45.915 45.100 -0.237 0.000 0.947 33 G HN -0.298 7.878 8.290 -0.191 0.000 0.484 34 E N -2.063 117.988 120.200 -0.248 0.000 2.412 34 E HA 0.851 5.213 4.350 -0.255 -0.165 0.279 34 E C -1.965 174.391 176.600 -0.407 0.000 0.984 34 E CA -1.993 54.251 56.400 -0.260 0.000 0.788 34 E CB 4.324 33.932 29.700 -0.153 0.000 1.277 34 E HN -0.101 8.100 8.360 -0.265 0.000 0.455 35 G N -2.061 106.402 108.800 -0.562 0.000 2.482 35 G HA2 0.429 4.169 3.960 -0.610 0.000 0.317 35 G HA3 0.429 3.281 3.960 -1.846 0.000 0.317 35 G C -2.785 172.038 174.900 -0.130 0.000 1.241 35 G CA -1.147 43.479 45.100 -0.789 0.000 0.967 35 G HN 0.281 8.306 8.290 -0.443 0.000 0.482 36 D N 1.944 122.379 120.400 0.058 0.000 2.400 36 D HA 0.495 5.285 4.640 0.250 0.000 0.272 36 D C -0.357 176.127 176.300 0.307 0.000 1.220 36 D CA -1.526 52.603 54.000 0.217 0.000 0.897 36 D CB 1.132 42.028 40.800 0.159 0.000 1.134 36 D HN 0.044 8.421 8.370 0.013 0.000 0.507 37 A N 4.721 127.789 122.820 0.414 0.000 2.015 37 A HA -0.012 4.706 4.320 0.310 -0.212 0.219 37 A C 0.766 178.460 177.584 0.183 0.000 1.163 37 A CA 2.405 54.636 52.037 0.323 0.000 0.646 37 A CB -0.051 19.138 19.000 0.316 0.000 0.806 37 A HN 0.394 8.852 8.150 0.512 0.000 0.448 38 T N -0.503 114.144 114.554 0.153 0.000 2.833 38 T HA -0.451 3.870 4.350 -0.048 0.000 0.269 38 T C 0.444 175.006 174.700 -0.230 0.000 1.054 38 T CA 4.514 66.585 62.100 -0.049 0.000 1.135 38 T CB 0.175 68.983 68.868 -0.100 0.000 0.869 38 T HN -0.214 8.126 8.240 0.212 0.027 0.466 39 Y N -3.916 116.443 120.300 0.099 0.000 2.444 39 Y HA -0.101 4.497 4.550 0.080 0.000 0.249 39 Y C -0.188 175.769 175.900 0.095 0.000 1.134 39 Y CA -0.375 57.778 58.100 0.089 0.000 1.261 39 Y CB 1.012 39.525 38.460 0.087 0.000 1.143 39 Y HN -0.823 7.643 8.280 0.323 0.008 0.523 40 G N -0.823 108.105 108.800 0.213 0.000 2.149 40 G HA2 -0.441 3.784 3.960 0.150 0.000 0.235 40 G HA3 -0.441 3.745 3.960 0.136 -0.144 0.235 40 G C -0.958 174.010 174.900 0.115 0.000 1.018 40 G CA 0.244 45.438 45.100 0.156 0.000 0.728 40 G HN -0.279 8.022 8.290 0.215 0.118 0.508 41 K N -0.023 120.430 120.400 0.089 0.000 2.182 41 K HA 0.771 5.141 4.320 -0.242 -0.195 0.262 41 K C -1.424 175.083 176.600 -0.156 0.000 0.957 41 K CA -1.166 55.062 56.287 -0.099 0.000 0.842 41 K CB 2.957 35.423 32.500 -0.057 0.000 1.099 41 K HN -0.520 7.819 8.250 0.148 0.000 0.438 42 L N 2.566 123.622 121.223 -0.278 0.000 2.386 42 L HA 0.653 4.968 4.340 -0.280 -0.143 0.271 42 L C -1.010 175.685 176.870 -0.293 0.000 0.993 42 L CA -1.137 53.556 54.840 -0.245 0.000 0.819 42 L CB 4.120 46.129 42.059 -0.085 0.000 1.294 42 L HN 0.396 8.376 8.230 -0.416 0.000 0.414 43 T N 1.082 115.466 114.554 -0.285 0.000 2.890 43 T HA 0.669 4.878 4.350 -0.507 -0.164 0.295 43 T C -1.172 173.315 174.700 -0.354 0.000 0.993 43 T CA -1.321 60.556 62.100 -0.372 0.000 0.979 43 T CB 1.534 70.233 68.868 -0.283 0.000 0.967 43 T HN 0.264 8.336 8.240 -0.280 0.000 0.441 44 L N 5.165 126.155 121.223 -0.389 0.000 2.431 44 L HA 0.525 4.742 4.340 -0.449 -0.146 0.266 44 L C -2.449 174.096 176.870 -0.541 0.000 0.978 44 L CA -0.929 53.637 54.840 -0.457 0.000 0.822 44 L CB 4.354 46.150 42.059 -0.438 0.000 1.310 44 L HN 0.679 8.643 8.230 -0.443 0.000 0.409 45 K N 2.200 122.252 120.400 -0.580 0.000 2.274 45 K HA 0.656 4.936 4.320 -0.330 -0.157 0.262 45 K C -1.603 174.668 176.600 -0.548 0.000 0.961 45 K CA -1.530 54.498 56.287 -0.431 0.000 0.833 45 K CB 3.312 35.665 32.500 -0.245 0.000 1.102 45 K HN 0.573 8.497 8.250 -0.543 0.000 0.436 46 F N 5.146 125.041 119.950 -0.093 0.000 2.508 46 F HA 0.760 5.494 4.527 0.035 -0.186 0.325 46 F C -0.707 175.106 175.800 0.022 0.000 1.090 46 F CA -1.787 56.195 58.000 -0.029 0.000 0.945 46 F CB 3.572 42.549 39.000 -0.039 0.000 1.156 46 F HN 0.509 8.775 8.300 -0.057 0.000 0.463 47 I N 0.829 121.617 120.570 0.362 0.000 2.465 47 I HA 0.418 4.947 4.170 0.366 -0.140 0.291 47 I C -1.430 174.959 176.117 0.452 0.000 1.014 47 I CA -2.421 59.089 61.300 0.350 0.000 1.093 47 I CB 3.525 41.638 38.000 0.189 0.000 1.267 47 I HN 0.891 9.324 8.210 0.371 0.000 0.431 48 C N 7.959 127.561 119.300 0.503 0.000 2.492 48 C HA 0.226 5.015 4.460 0.282 -0.160 0.362 48 C C 1.522 176.629 174.990 0.196 0.000 1.207 48 C CA -1.492 57.706 59.018 0.299 0.000 1.626 48 C CB -0.057 27.779 27.740 0.160 0.000 2.239 48 C HN 0.191 8.777 8.230 0.595 0.000 0.547 49 T N 6.660 121.313 114.554 0.165 0.000 3.118 49 T HA -0.109 4.307 4.350 0.111 0.000 0.260 49 T C 0.486 175.239 174.700 0.088 0.000 1.139 49 T CA 1.911 64.080 62.100 0.115 0.000 1.085 49 T CB -0.191 68.735 68.868 0.097 0.000 0.934 49 T HN 0.302 8.648 8.240 0.176 0.000 0.518 50 T N -3.386 111.225 114.554 0.094 0.000 3.105 50 T HA 0.128 4.515 4.350 0.062 0.000 0.253 50 T C 0.318 175.054 174.700 0.060 0.000 1.047 50 T CA -0.976 61.169 62.100 0.075 0.000 0.944 50 T CB 0.631 69.554 68.868 0.091 0.000 1.016 50 T HN -0.499 7.757 8.240 0.112 0.051 0.544 51 G N 2.642 111.480 108.800 0.063 0.000 2.637 51 G HA2 -0.335 3.659 3.960 0.056 0.000 0.211 51 G HA3 -0.335 3.646 3.960 0.035 0.000 0.211 51 G C -1.837 173.084 174.900 0.035 0.000 1.213 51 G CA -0.507 44.622 45.100 0.048 0.000 1.207 51 G HN -0.481 7.807 8.290 0.080 0.051 0.559 52 K N 3.517 123.914 120.400 -0.005 0.000 2.234 52 K HA -0.022 4.427 4.320 -0.021 -0.141 0.282 52 K C 0.729 177.235 176.600 -0.156 0.000 1.039 52 K CA -0.503 55.753 56.287 -0.052 0.000 0.928 52 K CB 0.489 32.955 32.500 -0.057 0.000 1.039 52 K HN -0.006 8.241 8.250 -0.006 0.000 0.470 53 L N 6.897 127.956 121.223 -0.273 0.000 2.462 53 L HA 0.015 4.017 4.340 -0.563 0.000 0.272 53 L C -1.126 175.422 176.870 -0.537 0.000 1.166 53 L CA -1.329 53.176 54.840 -0.559 0.000 0.880 53 L CB 0.703 42.187 42.059 -0.959 0.000 1.142 53 L HN 0.029 8.440 8.230 -0.225 -0.316 0.473 54 P HA 0.134 4.298 4.420 -0.427 0.000 0.249 54 P C -1.612 175.346 177.300 -0.570 0.000 1.229 54 P CA 0.011 62.796 63.100 -0.524 0.000 0.788 54 P CB 0.315 31.739 31.700 -0.460 0.000 1.072 55 V N -7.909 111.604 119.914 -0.668 0.000 3.141 55 V HA 0.633 4.474 4.120 -0.465 0.000 0.312 55 V C -2.663 173.143 176.094 -0.480 0.000 1.157 55 V CA -4.668 57.306 62.300 -0.544 0.000 1.041 55 V CB 1.993 33.496 31.823 -0.533 0.000 1.071 55 V HN -0.833 6.812 8.190 -0.816 0.056 0.441 56 P HA 0.213 4.544 4.420 -0.147 0.000 0.271 56 P C 0.371 177.606 177.300 -0.109 0.000 1.216 56 P CA -0.593 62.404 63.100 -0.173 0.000 0.771 56 P CB 0.835 32.475 31.700 -0.100 0.000 0.864 57 W N 3.337 124.649 121.300 0.019 0.000 2.305 57 W HA -0.346 4.311 4.660 -0.004 0.000 0.308 57 W C 0.244 176.820 176.519 0.095 0.000 1.226 57 W CA 5.165 62.550 57.345 0.068 0.000 1.253 57 W CB -2.290 27.306 29.460 0.226 0.000 1.146 57 W HN 0.695 8.971 8.180 0.161 0.000 0.507 58 P HA -0.205 4.498 4.420 0.473 0.000 0.219 58 P C 1.175 178.735 177.300 0.433 0.000 1.146 58 P CA 2.485 65.843 63.100 0.430 0.000 0.808 58 P CB -0.361 31.585 31.700 0.410 0.000 0.779 59 T N -4.173 110.500 114.554 0.197 0.000 3.051 59 T HA -0.233 4.359 4.350 0.403 0.000 0.269 59 T C 0.571 175.566 174.700 0.493 0.000 1.127 59 T CA 2.699 64.986 62.100 0.312 0.000 1.107 59 T CB -0.222 68.707 68.868 0.101 0.000 0.898 59 T HN -0.294 7.984 8.240 0.092 0.018 0.517 60 L N -1.735 119.670 121.223 0.305 0.000 2.640 60 L HA 0.295 4.797 4.340 0.271 0.000 0.230 60 L C 0.587 177.515 176.870 0.096 0.000 1.123 60 L CA -0.283 54.678 54.840 0.201 0.000 0.900 60 L CB 0.427 42.515 42.059 0.050 0.000 1.146 60 L HN -0.554 7.669 8.230 0.250 0.157 0.484 61 V N 0.145 120.123 119.914 0.108 0.000 2.287 61 V HA -0.425 3.504 4.120 -0.317 0.000 0.248 61 V C 1.216 177.238 176.094 -0.119 0.000 1.053 61 V CA 4.057 66.263 62.300 -0.157 0.000 1.027 61 V CB 0.057 31.668 31.823 -0.354 0.000 0.646 61 V HN -0.807 7.524 8.190 0.235 0.000 0.447 62 T N -4.548 110.089 114.554 0.138 0.000 2.867 62 T HA -0.210 4.202 4.350 0.103 0.000 0.268 62 T C 1.630 176.438 174.700 0.181 0.000 1.057 62 T CA 2.401 64.622 62.100 0.201 0.000 1.136 62 T CB -0.239 68.890 68.868 0.435 0.000 0.874 62 T HN 0.169 8.580 8.240 0.285 0.000 0.466 63 T N 3.265 117.927 114.554 0.179 0.000 2.812 63 T HA -0.212 4.241 4.350 0.172 0.000 0.264 63 T C 0.549 175.286 174.700 0.061 0.000 1.042 63 T CA 2.832 65.015 62.100 0.139 0.000 1.140 63 T CB 0.092 69.038 68.868 0.131 0.000 0.870 63 T HN -0.666 7.682 8.240 0.205 0.015 0.445 69 Q N 1.778 121.517 119.800 -0.102 0.000 2.472 69 Q HA 0.028 4.207 4.340 -0.268 0.000 0.208 69 Q C 1.232 176.868 176.000 -0.607 0.000 0.958 69 Q CA 1.924 57.437 55.803 -0.482 0.000 0.932 69 Q CB 0.125 28.267 28.738 -0.994 0.000 1.007 69 Q HN 0.427 8.664 8.270 -0.055 0.000 0.508 70 C N -1.959 117.136 119.300 -0.341 0.000 2.430 70 C HA -0.171 4.101 4.460 -0.313 0.000 0.288 70 C C 0.174 174.755 174.990 -0.681 0.000 1.448 70 C CA 1.538 60.287 59.018 -0.450 0.000 1.784 70 C CB -1.205 26.272 27.740 -0.439 0.000 1.776 70 C HN -0.392 7.708 8.230 -0.140 0.046 0.547 71 F N -0.216 119.658 119.950 -0.127 0.000 2.660 71 F HA 0.069 4.595 4.527 -0.003 0.000 0.302 71 F C -0.520 175.272 175.800 -0.012 0.000 1.103 71 F CA 0.213 58.203 58.000 -0.018 0.000 1.340 71 F CB -0.304 38.735 39.000 0.066 0.000 1.048 71 F HN -0.480 7.751 8.300 -0.020 0.057 0.551 72 S N 1.041 116.783 115.700 0.071 0.000 2.572 72 S HA -0.132 4.371 4.470 0.056 0.000 0.279 72 S C -0.754 173.914 174.600 0.113 0.000 1.341 72 S CA 0.794 59.034 58.200 0.067 0.000 1.043 72 S CB 0.555 63.770 63.200 0.025 0.000 0.887 72 S HN -0.624 7.617 8.310 -0.020 0.057 0.516 73 R N 4.117 124.646 120.500 0.048 0.000 2.248 73 R HA 0.219 4.738 4.340 0.089 -0.126 0.328 73 R C -1.330 174.939 176.300 -0.051 0.000 1.067 73 R CA -0.449 55.675 56.100 0.040 0.000 0.924 73 R CB 1.273 31.581 30.300 0.014 0.000 1.013 73 R HN -0.154 8.129 8.270 0.021 0.000 0.454 74 Y N 7.726 127.989 120.300 -0.062 0.000 2.367 74 Y HA 0.288 4.771 4.550 -0.113 0.000 0.342 74 Y C -2.244 173.581 175.900 -0.125 0.000 0.979 74 Y CA -1.963 56.076 58.100 -0.102 0.000 1.161 74 Y CB 1.089 39.491 38.460 -0.097 0.000 1.155 74 Y HN 0.393 8.832 8.280 0.265 0.000 0.503 75 P HA -0.028 4.366 4.420 -0.043 0.000 0.269 75 P C 0.180 177.419 177.300 -0.101 0.000 1.217 75 P CA -0.096 62.943 63.100 -0.102 0.000 0.783 75 P CB 1.239 32.847 31.700 -0.153 0.000 0.898 76 D N 0.348 120.742 120.400 -0.009 0.000 2.133 76 D HA -0.340 4.295 4.640 -0.009 0.000 0.195 76 D C 1.871 178.171 176.300 -0.000 0.000 0.997 76 D CA 3.646 57.651 54.000 0.008 0.000 0.840 76 D CB -0.355 40.472 40.800 0.046 0.000 0.947 76 D HN 0.472 8.860 8.370 0.029 0.000 0.452 77 H N -5.714 113.355 119.070 -0.001 0.000 2.563 77 H HA -0.077 4.471 4.556 -0.013 0.000 0.272 77 H C -0.202 175.130 175.328 0.007 0.000 1.005 77 H CA 1.692 57.739 56.048 -0.002 0.000 1.171 77 H CB -0.891 28.876 29.762 0.008 0.000 1.351 77 H HN 0.321 8.695 8.280 0.172 0.009 0.602 78 M N -2.921 116.475 119.600 -0.340 0.000 2.347 78 M HA 0.247 4.676 4.480 -0.084 0.000 0.302 78 M C -0.038 176.212 176.300 -0.083 0.000 1.051 78 M CA -0.190 55.008 55.300 -0.169 0.000 0.988 78 M CB 1.514 33.991 32.600 -0.205 0.000 1.475 78 M HN -0.147 7.745 8.290 -0.347 0.190 0.530 79 K N 0.327 120.655 120.400 -0.120 0.000 2.211 79 K HA -0.325 3.934 4.320 -0.102 0.000 0.204 79 K C 2.060 178.514 176.600 -0.243 0.000 1.047 79 K CA 3.020 59.226 56.287 -0.135 0.000 0.935 79 K CB -0.721 31.720 32.500 -0.098 0.000 0.728 79 K HN -0.717 7.462 8.250 -0.118 0.000 0.452 80 Q N -3.469 116.124 119.800 -0.344 0.000 2.488 80 Q HA -0.134 4.047 4.340 -0.264 0.000 0.211 80 Q C 0.328 176.077 176.000 -0.418 0.000 0.967 80 Q CA 1.913 57.478 55.803 -0.395 0.000 0.926 80 Q CB -1.375 27.096 28.738 -0.446 0.000 0.992 80 Q HN 0.492 8.500 8.270 -0.374 0.037 0.506 81 H N -2.574 116.396 119.070 -0.166 0.000 2.672 81 H HA 0.170 4.666 4.556 -0.099 0.000 0.277 81 H C -1.137 174.008 175.328 -0.304 0.000 1.074 81 H CA -0.629 55.316 56.048 -0.172 0.000 1.173 81 H CB 1.132 30.751 29.762 -0.238 0.000 1.558 81 H HN -0.434 7.575 8.280 -0.332 0.072 0.539 82 D N 1.466 121.558 120.400 -0.514 0.000 2.517 82 D HA 0.042 3.980 4.640 -1.170 0.000 0.220 82 D C -0.472 175.619 176.300 -0.347 0.000 1.158 82 D CA -1.897 51.601 54.000 -0.837 0.000 0.992 82 D CB -1.270 38.928 40.800 -1.003 0.000 1.058 82 D HN -0.828 7.269 8.370 -0.455 0.000 0.516 83 F N 5.949 125.664 119.950 -0.391 0.000 2.126 83 F HA -0.360 4.124 4.527 -0.265 -0.116 0.299 83 F C 0.391 175.994 175.800 -0.329 0.000 1.096 83 F CA 3.277 61.043 58.000 -0.389 0.000 1.255 83 F CB 0.350 39.020 39.000 -0.551 0.000 0.997 83 F HN -0.642 7.602 8.300 -0.094 0.000 0.479 84 F N -3.358 116.481 119.950 -0.186 0.000 2.095 84 F HA -0.485 3.843 4.527 -0.333 0.000 0.298 84 F C 2.287 177.967 175.800 -0.201 0.000 1.104 84 F CA 3.758 61.629 58.000 -0.215 0.000 1.232 84 F CB -0.815 38.140 39.000 -0.074 0.000 0.987 84 F HN -0.633 7.590 8.300 -0.221 -0.055 0.475 85 K N -2.185 118.144 120.400 -0.117 0.000 2.155 85 K HA -0.287 3.948 4.320 -0.142 0.000 0.203 85 K C 2.155 178.710 176.600 -0.075 0.000 1.052 85 K CA 2.955 59.136 56.287 -0.177 0.000 0.948 85 K CB -0.049 32.252 32.500 -0.331 0.000 0.728 85 K HN -0.702 7.708 8.250 -0.141 -0.244 0.448 86 S N 0.042 115.622 115.700 -0.200 0.000 2.442 86 S HA -0.191 4.209 4.470 -0.116 0.000 0.236 86 S C 1.266 175.755 174.600 -0.185 0.000 1.007 86 S CA 2.440 60.528 58.200 -0.187 0.000 0.965 86 S CB -0.427 62.637 63.200 -0.226 0.000 0.773 86 S HN -0.602 7.547 8.310 -0.268 0.000 0.504 87 A N 0.066 122.726 122.820 -0.267 0.000 2.208 87 A HA 0.139 4.356 4.320 -0.171 0.000 0.209 87 A C -0.913 176.679 177.584 0.014 0.000 1.161 87 A CA 0.323 52.255 52.037 -0.175 0.000 0.782 87 A CB 0.232 19.070 19.000 -0.271 0.000 0.816 87 A HN -0.701 7.213 8.150 -0.340 0.032 0.477 88 M N -1.790 117.862 119.600 0.086 0.000 2.288 88 M HA 0.346 4.943 4.480 0.194 0.000 0.334 88 M C -1.654 174.703 176.300 0.096 0.000 1.150 88 M CA -3.465 51.950 55.300 0.193 0.000 1.118 88 M CB -0.833 32.032 32.600 0.440 0.000 1.501 88 M HN -0.652 7.512 8.290 0.074 0.170 0.462 89 P HA 0.120 4.778 4.420 0.396 0.000 0.251 89 P C 0.730 178.125 177.300 0.159 0.000 1.223 89 P CA 0.865 64.070 63.100 0.174 0.000 0.796 89 P CB 0.545 32.232 31.700 -0.022 0.000 1.068 90 E N -0.484 119.766 120.200 0.083 0.000 2.153 90 E HA -0.277 4.107 4.350 0.056 0.000 0.194 90 E C 0.764 177.394 176.600 0.050 0.000 0.988 90 E CA 2.036 58.471 56.400 0.059 0.000 0.811 90 E CB 0.023 29.748 29.700 0.042 0.000 0.746 90 E HN 0.076 8.474 8.360 0.063 0.000 0.466 91 G N -3.604 105.226 108.800 0.050 0.000 2.549 91 G HA2 -0.270 3.649 3.960 -0.082 0.000 0.404 91 G HA3 -0.270 3.745 3.960 -0.083 -0.105 0.404 91 G C -2.282 172.654 174.900 0.060 0.000 1.292 91 G CA -0.537 44.542 45.100 -0.034 0.000 0.935 91 G HN -0.505 7.827 8.290 0.071 0.000 0.512 92 Y N -5.423 114.940 120.300 0.105 0.000 2.588 92 Y HA 0.806 5.544 4.550 0.143 -0.103 0.343 92 Y C -2.147 173.844 175.900 0.152 0.000 1.065 92 Y CA -2.757 55.437 58.100 0.156 0.000 1.038 92 Y CB 2.957 41.574 38.460 0.262 0.000 1.297 92 Y HN -0.073 7.910 8.280 -0.495 0.000 0.467 93 I N 0.037 120.834 120.570 0.379 0.000 2.365 93 I HA 0.448 4.928 4.170 0.217 -0.180 0.291 93 I C -1.090 175.250 176.117 0.371 0.000 1.004 93 I CA -2.458 59.009 61.300 0.279 0.000 1.311 93 I CB -0.195 37.912 38.000 0.179 0.000 1.401 93 I HN 0.374 8.804 8.210 0.367 0.000 0.491 94 Q N 7.172 127.174 119.800 0.336 0.000 2.341 94 Q HA 0.584 5.277 4.340 0.289 -0.179 0.268 94 Q C -1.481 174.641 176.000 0.202 0.000 1.013 94 Q CA -1.696 54.294 55.803 0.311 0.000 0.798 94 Q CB 3.043 32.026 28.738 0.407 0.000 1.253 94 Q HN 0.369 8.806 8.270 0.278 0.000 0.457 95 E N 7.454 127.752 120.200 0.163 0.000 2.222 95 E HA 0.810 5.404 4.350 0.114 -0.176 0.267 95 E C -1.433 175.238 176.600 0.120 0.000 0.884 95 E CA -1.323 55.150 56.400 0.121 0.000 0.764 95 E CB 4.168 33.925 29.700 0.094 0.000 1.169 95 E HN 0.383 8.840 8.360 0.161 0.000 0.413 96 R N 2.096 122.655 120.500 0.098 0.000 2.771 96 R HA 1.001 5.616 4.340 0.096 -0.217 0.274 96 R C -0.846 175.467 176.300 0.020 0.000 0.987 96 R CA -1.575 54.573 56.100 0.079 0.000 0.908 96 R CB 4.746 35.100 30.300 0.090 0.000 1.213 96 R HN 0.292 8.614 8.270 0.088 0.000 0.468 97 T N 3.931 118.477 114.554 -0.013 0.000 2.807 97 T HA 0.733 5.165 4.350 -0.169 -0.184 0.279 97 T C -1.405 173.136 174.700 -0.265 0.000 0.993 97 T CA -0.548 61.450 62.100 -0.171 0.000 0.970 97 T CB 1.810 70.524 68.868 -0.256 0.000 0.950 97 T HN 0.182 8.452 8.240 0.050 0.000 0.441 98 I N 5.635 125.954 120.570 -0.419 0.000 2.410 98 I HA 0.467 4.485 4.170 -0.583 -0.197 0.286 98 I C -1.494 174.256 176.117 -0.611 0.000 1.009 98 I CA -1.281 59.665 61.300 -0.590 0.000 1.111 98 I CB 2.251 39.830 38.000 -0.703 0.000 1.262 98 I HN 0.683 8.689 8.210 -0.341 0.000 0.443 99 F N 6.339 126.119 119.950 -0.282 0.000 2.391 99 F HA 0.215 4.671 4.527 -0.117 0.000 0.359 99 F C -0.730 174.900 175.800 -0.282 0.000 1.122 99 F CA -1.149 56.743 58.000 -0.181 0.000 1.120 99 F CB 1.012 39.977 39.000 -0.058 0.000 1.142 99 F HN 0.382 8.653 8.300 -0.049 0.000 0.483 100 F N 3.453 123.430 119.950 0.046 0.000 2.424 100 F HA 0.227 4.946 4.527 0.091 -0.137 0.356 100 F C 0.166 176.005 175.800 0.064 0.000 1.110 100 F CA -0.829 57.206 58.000 0.059 0.000 1.161 100 F CB 0.832 39.868 39.000 0.059 0.000 1.115 100 F HN 0.374 8.828 8.300 0.256 0.000 0.507 101 E N 6.100 126.425 120.200 0.208 0.000 2.694 101 E HA -0.372 4.038 4.350 0.100 0.000 0.250 101 E C -0.173 176.500 176.600 0.122 0.000 0.963 101 E CA 2.038 58.518 56.400 0.134 0.000 0.949 101 E CB 0.496 30.265 29.700 0.115 0.000 0.911 101 E HN -0.167 8.310 8.360 0.196 0.000 0.500 102 D N 2.723 123.168 120.400 0.075 0.000 2.837 102 D HA -0.346 4.313 4.640 0.032 0.000 0.230 102 D C -1.567 174.764 176.300 0.052 0.000 1.152 102 D CA 1.624 55.655 54.000 0.051 0.000 0.736 102 D CB -0.916 39.912 40.800 0.048 0.000 1.084 102 D HN 0.432 8.837 8.370 0.059 0.000 0.429 103 D N -3.030 117.401 120.400 0.051 0.000 3.309 103 D HA 0.199 4.827 4.640 -0.021 0.000 0.335 103 D C -1.299 174.886 176.300 -0.191 0.000 1.393 103 D CA -1.103 52.890 54.000 -0.012 0.000 0.963 103 D CB 2.863 43.716 40.800 0.088 0.000 1.431 103 D HN -0.400 7.989 8.370 0.069 0.023 0.583 104 G N -2.546 105.832 108.800 -0.703 0.000 2.508 104 G HA2 0.100 3.671 3.960 -0.648 0.000 0.278 104 G HA3 0.100 2.834 3.960 -2.218 -0.105 0.278 104 G C -2.147 172.263 174.900 -0.818 0.000 1.389 104 G CA -0.669 43.700 45.100 -1.219 0.000 1.050 104 G HN -0.098 7.697 8.290 -0.825 0.000 0.522 105 N N -3.709 114.639 118.700 -0.587 0.000 2.242 105 N HA 0.804 5.694 4.740 0.009 -0.144 0.292 105 N C -1.573 174.099 175.510 0.271 0.000 1.125 105 N CA -1.277 51.702 53.050 -0.118 0.000 0.783 105 N CB 3.752 42.031 38.487 -0.347 0.000 1.558 105 N HN -0.302 7.709 8.380 -0.615 0.000 0.472 106 Y N -1.663 118.761 120.300 0.208 0.000 2.387 106 Y HA 0.617 5.634 4.550 0.221 -0.335 0.330 106 Y C 0.127 176.012 175.900 -0.024 0.000 1.133 106 Y CA -3.245 54.959 58.100 0.173 0.000 1.152 106 Y CB 2.160 40.764 38.460 0.240 0.000 1.215 106 Y HN 0.087 8.500 8.280 0.222 0.000 0.466 107 K N 1.412 121.903 120.400 0.153 0.000 2.397 107 K HA 0.804 5.333 4.320 0.019 -0.198 0.253 107 K C -1.206 175.421 176.600 0.044 0.000 0.932 107 K CA -1.492 54.822 56.287 0.046 0.000 0.795 107 K CB 3.693 36.200 32.500 0.010 0.000 1.159 107 K HN 0.860 9.208 8.250 0.163 0.000 0.424 108 S N 2.543 118.271 115.700 0.047 0.000 2.548 108 S HA 1.008 5.685 4.470 0.018 -0.196 0.286 108 S C -1.353 173.279 174.600 0.053 0.000 1.098 108 S CA -1.821 56.405 58.200 0.043 0.000 0.930 108 S CB 3.792 67.032 63.200 0.067 0.000 1.070 108 S HN 0.587 8.926 8.310 0.049 0.000 0.480 109 R N 2.156 122.683 120.500 0.045 0.000 2.532 109 R HA 0.618 5.147 4.340 0.080 -0.140 0.297 109 R C -2.787 173.550 176.300 0.061 0.000 0.984 109 R CA -0.765 55.372 56.100 0.061 0.000 0.884 109 R CB 4.018 34.346 30.300 0.045 0.000 1.182 109 R HN 0.198 8.485 8.270 0.028 0.000 0.442 110 A N 5.992 128.866 122.820 0.091 0.000 2.401 110 A HA 1.050 5.612 4.320 0.058 -0.207 0.310 110 A C -2.027 175.607 177.584 0.083 0.000 1.075 110 A CA -2.063 50.023 52.037 0.083 0.000 0.746 110 A CB 4.178 23.242 19.000 0.106 0.000 1.277 110 A HN 0.788 9.007 8.150 0.115 0.000 0.425 111 E N 2.155 122.379 120.200 0.040 0.000 2.133 111 E HA 0.524 5.023 4.350 0.022 -0.136 0.274 111 E C -1.078 175.485 176.600 -0.062 0.000 0.930 111 E CA -1.346 55.057 56.400 0.005 0.000 0.770 111 E CB 2.401 32.105 29.700 0.005 0.000 1.104 111 E HN 0.039 8.417 8.360 0.030 0.000 0.403 112 V N 6.204 126.002 119.914 -0.193 0.000 2.378 112 V HA 0.786 5.023 4.120 -0.203 -0.238 0.288 112 V C -1.617 174.253 176.094 -0.373 0.000 1.016 112 V CA -1.380 60.720 62.300 -0.334 0.000 0.840 112 V CB 0.773 32.254 31.823 -0.570 0.000 0.994 112 V HN 0.309 8.361 8.190 -0.230 0.000 0.431 113 K N 3.033 123.293 120.400 -0.233 0.000 2.607 113 K HA 0.590 4.834 4.320 -0.128 0.000 0.287 113 K C -1.796 174.717 176.600 -0.145 0.000 0.996 113 K CA -1.870 54.334 56.287 -0.138 0.000 0.876 113 K CB 3.781 36.252 32.500 -0.048 0.000 1.496 113 K HN -0.025 8.103 8.250 -0.205 0.000 0.415 114 F N 0.154 120.078 119.950 -0.044 0.000 2.456 114 F HA 0.277 4.974 4.527 -0.035 -0.192 0.358 114 F C 0.841 176.623 175.800 -0.030 0.000 1.095 114 F CA 0.814 58.789 58.000 -0.042 0.000 1.216 114 F CB 0.885 39.846 39.000 -0.065 0.000 1.125 114 F HN -0.267 8.198 8.300 0.276 0.000 0.549 115 E N 5.008 125.286 120.200 0.130 0.000 2.149 115 E HA 0.270 4.669 4.350 0.081 0.000 0.255 115 E C 0.235 176.894 176.600 0.098 0.000 0.888 115 E CA -1.036 55.414 56.400 0.085 0.000 0.742 115 E CB 1.033 30.754 29.700 0.035 0.000 1.164 115 E HN 0.157 8.570 8.360 0.089 0.000 0.422 116 G N 7.730 116.584 108.800 0.090 0.000 2.561 116 G HA2 -0.455 3.529 3.960 0.040 0.000 0.289 116 G HA3 -0.455 3.539 3.960 0.056 0.000 0.289 116 G C -0.585 174.388 174.900 0.121 0.000 1.169 116 G CA 1.623 46.765 45.100 0.070 0.000 0.980 116 G HN 0.539 8.875 8.290 0.076 0.000 0.550 117 D N 4.500 124.966 120.400 0.111 0.000 2.349 117 D HA 0.031 4.740 4.640 0.116 0.000 0.214 117 D C -0.529 175.933 176.300 0.270 0.000 1.063 117 D CA 0.199 54.286 54.000 0.146 0.000 0.847 117 D CB 0.128 40.962 40.800 0.056 0.000 0.933 117 D HN 0.339 8.756 8.370 0.079 0.000 0.513 118 T N 2.746 117.426 114.554 0.210 0.000 2.794 118 T HA 0.149 4.689 4.350 0.079 -0.143 0.280 118 T C -1.445 173.195 174.700 -0.099 0.000 0.987 118 T CA -0.005 62.141 62.100 0.076 0.000 0.993 118 T CB 2.089 70.974 68.868 0.028 0.000 0.939 118 T HN -0.819 7.469 8.240 0.184 0.062 0.449 119 L N 7.878 128.933 121.223 -0.281 0.000 2.319 119 L HA 0.182 4.151 4.340 -0.826 -0.124 0.280 119 L C -2.418 174.346 176.870 -0.178 0.000 1.099 119 L CA -0.545 53.992 54.840 -0.504 0.000 0.828 119 L CB 0.715 42.540 42.059 -0.391 0.000 1.150 119 L HN 0.147 8.291 8.230 -0.144 0.000 0.442 120 V N 6.862 126.674 119.914 -0.170 0.000 2.540 120 V HA 0.516 4.838 4.120 -0.043 -0.227 0.302 120 V C -1.837 174.223 176.094 -0.056 0.000 1.035 120 V CA -1.714 60.543 62.300 -0.072 0.000 0.873 120 V CB 2.718 34.512 31.823 -0.049 0.000 0.992 120 V HN 0.514 8.566 8.190 -0.230 0.000 0.428 121 N N 7.322 126.020 118.700 -0.004 0.000 2.518 121 N HA 0.415 5.304 4.740 -0.007 -0.154 0.254 121 N C -1.644 173.886 175.510 0.033 0.000 0.979 121 N CA -1.167 51.895 53.050 0.019 0.000 0.930 121 N CB 2.418 40.946 38.487 0.067 0.000 1.152 121 N HN 0.382 8.770 8.380 0.014 0.000 0.505 122 R N 5.750 126.261 120.500 0.019 0.000 2.295 122 R HA 0.650 5.172 4.340 0.027 -0.165 0.324 122 R C -1.345 174.969 176.300 0.024 0.000 0.968 122 R CA -0.840 55.273 56.100 0.021 0.000 0.837 122 R CB 2.021 32.327 30.300 0.009 0.000 1.133 122 R HN 0.093 8.367 8.270 0.006 0.000 0.450 123 I N 4.254 124.836 120.570 0.020 0.000 2.509 123 I HA 0.521 4.873 4.170 0.024 -0.168 0.293 123 I C -1.348 174.756 176.117 -0.023 0.000 1.020 123 I CA -1.090 60.218 61.300 0.013 0.000 1.088 123 I CB 3.584 41.597 38.000 0.021 0.000 1.267 123 I HN 0.823 9.044 8.210 0.018 0.000 0.430 124 E N 4.802 124.986 120.200 -0.026 0.000 2.171 124 E HA 0.692 5.146 4.350 -0.091 -0.158 0.271 124 E C -1.833 174.726 176.600 -0.068 0.000 0.916 124 E CA -1.909 54.455 56.400 -0.061 0.000 0.774 124 E CB 2.721 32.395 29.700 -0.044 0.000 1.128 124 E HN 0.217 8.572 8.360 -0.007 0.000 0.403 125 L N 5.798 126.943 121.223 -0.130 0.000 2.386 125 L HA 0.832 5.310 4.340 -0.081 -0.188 0.271 125 L C -2.092 174.683 176.870 -0.159 0.000 0.993 125 L CA -1.350 53.406 54.840 -0.139 0.000 0.819 125 L CB 3.960 45.902 42.059 -0.196 0.000 1.294 125 L HN 0.463 8.586 8.230 -0.178 0.000 0.414 126 T N 1.197 115.703 114.554 -0.079 0.000 2.848 126 T HA 0.800 5.319 4.350 -0.058 -0.203 0.285 126 T C -0.887 173.867 174.700 0.089 0.000 0.995 126 T CA -2.312 59.773 62.100 -0.025 0.000 0.970 126 T CB 2.670 71.538 68.868 0.000 0.000 0.976 126 T HN 0.536 8.751 8.240 -0.041 0.000 0.441 127 G N 1.927 110.832 108.800 0.174 0.000 2.495 127 G HA2 0.939 5.450 3.960 0.587 0.000 0.318 127 G HA3 0.939 5.286 3.960 0.645 0.000 0.318 127 G C -2.236 172.918 174.900 0.424 0.000 1.257 127 G CA -1.375 44.022 45.100 0.495 0.000 0.962 127 G HN 0.525 8.888 8.290 0.121 0.000 0.483 128 T N -1.081 113.711 114.554 0.396 0.000 2.843 128 T HA 0.372 4.880 4.350 0.264 0.000 0.302 128 T C -1.453 173.263 174.700 0.025 0.000 1.232 128 T CA -2.015 60.214 62.100 0.216 0.000 1.009 128 T CB 2.803 71.731 68.868 0.100 0.000 1.254 128 T HN -0.055 8.407 8.240 0.371 0.000 0.504 129 D N -3.025 117.392 120.400 0.027 0.000 3.041 129 D HA -0.357 4.278 4.640 -0.008 0.000 0.220 129 D C -1.805 174.402 176.300 -0.155 0.000 1.157 129 D CA 1.496 55.456 54.000 -0.068 0.000 0.876 129 D CB -0.870 39.865 40.800 -0.108 0.000 1.107 129 D HN 0.453 8.872 8.370 0.083 0.000 0.422 130 F N -3.210 116.770 119.950 0.050 0.000 2.418 130 F HA 0.087 4.831 4.527 0.014 -0.209 0.341 130 F C 1.107 176.920 175.800 0.021 0.000 1.120 130 F CA 0.178 58.192 58.000 0.023 0.000 1.232 130 F CB 1.449 40.453 39.000 0.006 0.000 1.175 130 F HN -0.740 7.685 8.300 0.281 0.044 0.569 131 K N 3.004 123.521 120.400 0.195 0.000 2.276 131 K HA 0.088 4.463 4.320 0.093 0.000 0.283 131 K C 1.217 177.882 176.600 0.108 0.000 1.044 131 K CA -0.221 56.135 56.287 0.114 0.000 0.944 131 K CB 0.376 32.922 32.500 0.076 0.000 1.012 131 K HN 0.195 8.881 8.250 0.207 -0.312 0.472 132 E N 3.295 123.544 120.200 0.081 0.000 2.153 132 E HA -0.365 4.024 4.350 0.065 0.000 0.194 132 E C 0.006 176.623 176.600 0.027 0.000 0.988 132 E CA 3.104 59.540 56.400 0.059 0.000 0.811 132 E CB -0.131 29.604 29.700 0.058 0.000 0.746 132 E HN 0.576 8.981 8.360 0.075 0.000 0.466 133 D N -6.440 113.978 120.400 0.030 0.000 2.339 133 D HA -0.005 4.640 4.640 0.008 0.000 0.217 133 D C 0.103 176.413 176.300 0.017 0.000 1.050 133 D CA -0.507 53.504 54.000 0.017 0.000 0.856 133 D CB -0.407 40.404 40.800 0.020 0.000 0.922 133 D HN -0.155 8.215 8.370 0.038 0.023 0.518 134 G N -0.660 108.157 108.800 0.029 0.000 2.563 134 G HA2 -0.001 3.980 3.960 0.034 0.000 0.283 134 G HA3 -0.001 4.167 3.960 0.059 -0.172 0.283 134 G C 0.107 175.006 174.900 -0.001 0.000 1.309 134 G CA -1.298 43.822 45.100 0.033 0.000 1.022 134 G HN -0.584 7.554 8.290 0.040 0.176 0.501 135 N N -0.803 117.897 118.700 -0.001 0.000 2.453 135 N HA -0.229 4.495 4.740 -0.026 0.000 0.183 135 N C 1.741 177.184 175.510 -0.112 0.000 1.041 135 N CA 3.010 56.040 53.050 -0.033 0.000 0.900 135 N CB 0.153 38.639 38.487 -0.001 0.000 0.961 135 N HN 0.267 8.661 8.380 0.023 0.000 0.443 136 I N -0.119 120.352 120.570 -0.165 0.000 2.368 136 I HA -0.255 3.707 4.170 -0.347 0.000 0.238 136 I C 1.417 177.351 176.117 -0.304 0.000 1.076 136 I CA 3.448 64.548 61.300 -0.334 0.000 1.397 136 I CB 0.346 37.989 38.000 -0.594 0.000 1.141 136 I HN -0.684 7.424 8.210 -0.104 0.040 0.430 137 L N -3.700 117.378 121.223 -0.241 0.000 2.291 137 L HA -0.131 4.024 4.340 -0.308 0.000 0.214 137 L C 1.533 178.306 176.870 -0.161 0.000 1.120 137 L CA 1.436 56.144 54.840 -0.219 0.000 0.799 137 L CB -0.067 41.924 42.059 -0.112 0.000 0.925 137 L HN -0.029 8.095 8.230 -0.176 0.000 0.446 138 G N -5.082 103.652 108.800 -0.110 0.000 2.880 138 G HA2 -0.012 3.903 3.960 -0.075 0.000 0.209 138 G HA3 -0.012 4.025 3.960 -0.053 -0.109 0.209 138 G C -0.400 174.448 174.900 -0.087 0.000 1.157 138 G CA -0.622 44.431 45.100 -0.079 0.000 0.779 138 G HN -0.470 7.736 8.290 -0.097 0.025 0.539 139 N N -1.725 116.903 118.700 -0.121 0.000 2.667 139 N HA -0.386 4.276 4.740 -0.129 0.000 0.263 139 N C -0.626 174.851 175.510 -0.054 0.000 1.038 139 N CA 1.374 54.358 53.050 -0.109 0.000 0.749 139 N CB -2.084 36.327 38.487 -0.127 0.000 0.892 139 N HN -0.400 7.719 8.380 -0.151 0.171 0.546 140 K N -4.719 115.657 120.400 -0.041 0.000 2.455 140 K HA 0.178 4.666 4.320 0.000 -0.168 0.206 140 K C -1.219 175.392 176.600 0.018 0.000 1.027 140 K CA -0.503 55.781 56.287 -0.006 0.000 1.113 140 K CB 1.141 33.640 32.500 -0.002 0.000 0.850 140 K HN -0.335 7.881 8.250 -0.057 0.000 0.503 141 M N -0.999 118.611 119.600 0.017 0.000 2.233 141 M HA 0.030 4.549 4.480 0.066 0.000 0.355 141 M C -0.147 176.217 176.300 0.107 0.000 1.191 141 M CA 0.064 55.398 55.300 0.056 0.000 1.101 141 M CB 1.398 34.012 32.600 0.023 0.000 1.592 141 M HN -0.312 7.976 8.290 -0.004 0.000 0.461 142 E N 1.900 122.176 120.200 0.127 0.000 2.415 142 E HA -0.169 4.276 4.350 0.158 0.000 0.262 142 E C -0.277 176.464 176.600 0.235 0.000 1.038 142 E CA 0.053 56.550 56.400 0.162 0.000 0.921 142 E CB 0.929 30.710 29.700 0.135 0.000 0.950 142 E HN -0.282 8.149 8.360 0.117 0.000 0.438 143 Y N 5.758 126.131 120.300 0.122 0.000 2.632 143 Y HA -0.154 4.508 4.550 0.187 0.000 0.336 143 Y C -1.845 174.157 175.900 0.170 0.000 1.237 143 Y CA 0.453 58.645 58.100 0.152 0.000 1.595 143 Y CB -1.402 37.126 38.460 0.113 0.000 1.508 143 Y HN 0.318 8.802 8.280 0.340 0.000 0.480 144 N N 3.095 121.815 118.700 0.032 0.000 3.179 144 N HA 0.047 4.769 4.740 -0.029 0.000 0.250 144 N C -2.751 172.894 175.510 0.226 0.000 1.507 144 N CA -0.739 52.347 53.050 0.060 0.000 0.883 144 N CB 1.622 40.164 38.487 0.093 0.000 1.435 144 N HN -0.753 7.695 8.380 0.114 0.000 0.532 145 Y N -2.478 117.863 120.300 0.069 0.000 2.581 145 Y HA 0.140 4.808 4.550 0.197 0.000 0.337 145 Y C -1.742 174.220 175.900 0.103 0.000 1.108 145 Y CA -0.101 58.088 58.100 0.148 0.000 1.033 145 Y CB 3.232 41.810 38.460 0.196 0.000 1.318 145 Y HN 0.129 8.539 8.280 0.217 0.000 0.459 146 N N 2.237 120.933 118.700 -0.008 0.000 2.592 146 N HA 0.272 4.976 4.740 -0.060 0.000 0.292 146 N C -1.143 174.242 175.510 -0.209 0.000 1.260 146 N CA -0.797 52.171 53.050 -0.138 0.000 0.910 146 N CB 2.538 40.850 38.487 -0.292 0.000 1.257 146 N HN 0.210 8.456 8.380 -0.224 0.000 0.569 147 A N -0.996 121.633 122.820 -0.319 0.000 2.331 147 A HA 0.239 4.673 4.320 -0.063 -0.152 0.283 147 A C -0.898 176.357 177.584 -0.549 0.000 1.142 147 A CA -0.232 51.659 52.037 -0.242 0.000 0.812 147 A CB 1.032 19.968 19.000 -0.107 0.000 1.074 147 A HN 0.323 8.307 8.150 -0.277 0.000 0.497 148 H N 2.450 121.549 119.070 0.048 0.000 2.895 148 H HA 0.241 4.814 4.556 0.029 0.000 0.373 148 H C -1.619 173.699 175.328 -0.017 0.000 1.174 148 H CA -0.753 55.305 56.048 0.017 0.000 1.144 148 H CB 4.684 34.449 29.762 0.005 0.000 1.793 148 H HN 0.311 8.640 8.280 0.082 0.000 0.551 149 N N 1.305 120.061 118.700 0.094 0.000 2.426 149 N HA 0.409 5.315 4.740 0.011 -0.159 0.275 149 N C -1.217 174.174 175.510 -0.198 0.000 1.019 149 N CA -0.161 52.823 53.050 -0.109 0.000 0.941 149 N CB 1.495 39.705 38.487 -0.462 0.000 1.123 149 N HN 0.258 8.731 8.380 0.155 0.000 0.486 150 V N 4.379 124.110 119.914 -0.305 0.000 2.334 150 V HA 0.113 4.101 4.120 -0.220 0.000 0.281 150 V C -1.569 174.383 176.094 -0.237 0.000 1.016 150 V CA -0.709 61.395 62.300 -0.328 0.000 0.832 150 V CB 1.335 32.838 31.823 -0.535 0.000 0.999 150 V HN 0.249 8.319 8.190 -0.200 0.000 0.439 151 Y N 7.679 128.023 120.300 0.074 0.000 2.326 151 Y HA 0.228 4.921 4.550 0.015 -0.134 0.337 151 Y C -0.583 175.306 175.900 -0.019 0.000 1.023 151 Y CA -0.588 57.526 58.100 0.022 0.000 1.143 151 Y CB 1.516 39.982 38.460 0.009 0.000 1.183 151 Y HN 0.115 8.649 8.280 0.424 0.000 0.485 152 I N 3.003 123.541 120.570 -0.053 0.000 2.433 152 I HA 0.588 4.890 4.170 -0.036 -0.154 0.292 152 I C -1.315 174.742 176.117 -0.101 0.000 1.001 152 I CA -1.380 59.843 61.300 -0.129 0.000 1.119 152 I CB 2.827 40.627 38.000 -0.333 0.000 1.289 152 I HN 0.676 8.793 8.210 -0.154 0.000 0.438 153 M N 3.426 122.992 119.600 -0.057 0.000 2.631 153 M HA 0.643 5.113 4.480 -0.017 0.000 0.288 153 M C -1.609 174.648 176.300 -0.072 0.000 1.260 153 M CA -1.238 54.042 55.300 -0.035 0.000 0.842 153 M CB 4.000 36.596 32.600 -0.006 0.000 1.743 153 M HN 0.653 8.909 8.290 -0.057 0.000 0.461 154 T N 2.537 117.062 114.554 -0.048 0.000 2.930 154 T HA -0.115 4.277 4.350 -0.123 -0.116 0.306 154 T C -0.465 174.192 174.700 -0.071 0.000 1.045 154 T CA 1.926 63.982 62.100 -0.072 0.000 1.134 154 T CB 0.599 69.452 68.868 -0.025 0.000 0.961 154 T HN 0.324 8.552 8.240 -0.020 0.000 0.545 155 D N 6.982 127.322 120.400 -0.100 0.000 2.432 155 D HA 0.281 4.894 4.640 -0.044 0.000 0.265 155 D C -0.396 175.873 176.300 -0.051 0.000 1.160 155 D CA -1.601 52.358 54.000 -0.068 0.000 0.911 155 D CB 0.623 41.374 40.800 -0.082 0.000 1.052 155 D HN 0.105 8.287 8.370 -0.143 0.102 0.508 156 K N 6.857 127.242 120.400 -0.026 0.000 2.103 156 K HA -0.344 3.970 4.320 -0.009 0.000 0.207 156 K C 1.658 178.256 176.600 -0.003 0.000 1.048 156 K CA 2.583 58.864 56.287 -0.010 0.000 0.930 156 K CB -0.186 32.314 32.500 -0.000 0.000 0.716 156 K HN 0.463 8.700 8.250 -0.021 0.000 0.444 157 A N -1.158 121.659 122.820 -0.004 0.000 1.978 157 A HA -0.123 4.200 4.320 0.006 0.000 0.220 157 A C 1.564 179.151 177.584 0.006 0.000 1.170 157 A CA 2.593 54.632 52.037 0.003 0.000 0.636 157 A CB -0.624 18.378 19.000 0.003 0.000 0.810 157 A HN 0.312 8.458 8.150 -0.006 0.000 0.448 158 K N -4.821 115.578 120.400 -0.002 0.000 2.372 158 K HA 0.071 4.401 4.320 0.017 0.000 0.200 158 K C -0.715 175.895 176.600 0.016 0.000 1.022 158 K CA -1.009 55.282 56.287 0.006 0.000 1.125 158 K CB 0.253 32.750 32.500 -0.006 0.000 0.855 158 K HN -0.599 7.623 8.250 -0.013 0.020 0.524 159 N N -0.725 117.984 118.700 0.015 0.000 2.721 159 N HA -0.343 4.419 4.740 0.037 0.000 0.249 159 N C -0.946 174.598 175.510 0.056 0.000 1.072 159 N CA 0.986 54.063 53.050 0.045 0.000 0.710 159 N CB -1.034 37.496 38.487 0.072 0.000 0.993 159 N HN -0.294 7.923 8.380 0.008 0.168 0.547 160 G N -5.252 103.495 108.800 -0.088 0.000 3.003 160 G HA2 0.688 4.362 3.960 -0.478 0.000 0.243 160 G HA3 0.688 4.624 3.960 -0.329 -0.173 0.243 160 G C -2.796 171.775 174.900 -0.548 0.000 1.176 160 G CA -0.297 44.576 45.100 -0.379 0.000 0.812 160 G HN -0.637 7.595 8.290 -0.095 0.001 0.584 161 I N -6.193 113.965 120.570 -0.687 0.000 2.969 161 I HA 0.901 5.051 4.170 -0.357 -0.194 0.307 161 I C -2.117 173.840 176.117 -0.267 0.000 1.149 161 I CA -2.076 58.927 61.300 -0.496 0.000 1.008 161 I CB 4.433 42.023 38.000 -0.682 0.000 1.232 161 I HN -0.022 7.754 8.210 -0.723 0.000 0.435 162 K N 1.829 122.142 120.400 -0.145 0.000 2.259 162 K HA 0.633 5.078 4.320 -0.030 -0.143 0.252 162 K C -1.442 175.159 176.600 0.000 0.000 0.936 162 K CA -1.527 54.734 56.287 -0.043 0.000 0.810 162 K CB 3.608 36.107 32.500 -0.003 0.000 1.143 162 K HN 0.059 8.228 8.250 -0.135 0.000 0.427 163 V N 2.190 122.146 119.914 0.071 0.000 2.709 163 V HA 0.861 5.291 4.120 0.139 -0.227 0.308 163 V C -1.852 174.346 176.094 0.173 0.000 1.062 163 V CA -1.962 60.431 62.300 0.156 0.000 0.901 163 V CB 3.696 35.661 31.823 0.237 0.000 1.003 163 V HN 0.411 8.650 8.190 0.082 0.000 0.425 164 N N 4.484 123.322 118.700 0.229 0.000 2.287 164 N HA 0.892 5.742 4.740 -0.128 -0.187 0.289 164 N C -1.323 174.374 175.510 0.311 0.000 1.066 164 N CA -0.353 52.737 53.050 0.067 0.000 0.841 164 N CB 4.177 42.634 38.487 -0.049 0.000 1.599 164 N HN 0.054 8.611 8.380 0.294 0.000 0.476 165 F N -2.159 117.763 119.950 -0.047 0.000 2.842 165 F HA 0.350 4.911 4.527 0.056 0.000 0.319 165 F C -2.969 172.782 175.800 -0.082 0.000 1.159 165 F CA -0.700 57.297 58.000 -0.006 0.000 0.902 165 F CB 1.951 40.957 39.000 0.009 0.000 1.311 165 F HN -0.106 7.924 8.300 -0.451 0.000 0.453 166 K N -0.121 120.335 120.400 0.095 0.000 2.323 166 K HA 0.494 4.928 4.320 -0.084 -0.164 0.259 166 K C -1.173 175.412 176.600 -0.025 0.000 0.947 166 K CA -1.464 54.816 56.287 -0.011 0.000 0.819 166 K CB 2.334 34.848 32.500 0.024 0.000 1.109 166 K HN 0.208 8.591 8.250 0.222 0.000 0.429 167 I N 3.812 124.258 120.570 -0.207 0.000 2.440 167 I HA 0.017 3.603 4.170 -0.974 0.000 0.294 167 I C -0.447 175.497 176.117 -0.289 0.000 0.995 167 I CA -2.550 58.431 61.300 -0.531 0.000 1.306 167 I CB 1.010 38.656 38.000 -0.591 0.000 1.407 167 I HN 0.245 8.360 8.210 -0.157 0.000 0.501 168 R N 5.597 126.059 120.500 -0.062 0.000 2.215 168 R HA 0.204 4.533 4.340 -0.019 0.000 0.336 168 R C -1.043 175.175 176.300 -0.135 0.000 0.996 168 R CA -1.192 54.897 56.100 -0.018 0.000 0.847 168 R CB 0.912 31.262 30.300 0.083 0.000 1.127 168 R HN -0.061 8.420 8.270 0.352 0.000 0.465 169 H N 5.551 124.656 119.070 0.059 0.000 2.556 169 H HA 0.185 4.745 4.556 0.006 0.000 0.310 169 H C -0.942 174.427 175.328 0.067 0.000 1.057 169 H CA -0.960 55.122 56.048 0.058 0.000 1.264 169 H CB 2.122 31.965 29.762 0.135 0.000 1.404 169 H HN 0.505 8.834 8.280 0.083 0.000 0.462 170 N N 5.484 124.289 118.700 0.176 0.000 2.470 170 N HA 0.050 4.855 4.740 0.109 0.000 0.268 170 N C -1.099 174.487 175.510 0.127 0.000 1.136 170 N CA 0.431 53.556 53.050 0.124 0.000 0.961 170 N CB 0.403 38.946 38.487 0.093 0.000 1.067 170 N HN 0.527 9.005 8.380 0.162 0.000 0.468 171 I N 1.897 122.529 120.570 0.103 0.000 2.676 171 I HA 0.261 4.579 4.170 0.087 -0.096 0.309 171 I C 1.355 177.512 176.117 0.068 0.000 0.990 171 I CA -3.201 58.150 61.300 0.085 0.000 1.168 171 I CB 0.933 38.981 38.000 0.079 0.000 1.343 171 I HN 0.464 8.731 8.210 0.095 0.000 0.482 172 E N 3.630 123.864 120.200 0.057 0.000 2.478 172 E HA -0.220 4.163 4.350 0.055 0.000 0.198 172 E C -0.339 176.285 176.600 0.041 0.000 1.046 172 E CA 2.447 58.877 56.400 0.049 0.000 0.870 172 E CB 0.163 29.889 29.700 0.042 0.000 0.818 172 E HN 0.150 8.542 8.360 0.053 0.000 0.527 173 D N -4.280 116.143 120.400 0.039 0.000 2.340 173 D HA -0.027 4.631 4.640 0.030 0.000 0.217 173 D C 0.862 177.183 176.300 0.035 0.000 1.081 173 D CA -0.699 53.321 54.000 0.033 0.000 0.842 173 D CB -1.089 39.729 40.800 0.030 0.000 0.934 173 D HN -0.489 7.865 8.370 0.043 0.041 0.511 174 G N -0.395 108.430 108.800 0.041 0.000 2.195 174 G HA2 -0.374 3.612 3.960 0.042 0.000 0.246 174 G HA3 -0.374 3.607 3.960 0.035 0.000 0.246 174 G C -0.000 174.927 174.900 0.045 0.000 0.984 174 G CA 0.022 45.147 45.100 0.041 0.000 0.633 174 G HN -0.153 8.103 8.290 0.046 0.061 0.525 175 S N 1.986 117.715 115.700 0.049 0.000 2.655 175 S HA 0.204 4.704 4.470 0.050 0.000 0.265 175 S C -0.952 173.690 174.600 0.070 0.000 1.240 175 S CA -0.186 58.047 58.200 0.055 0.000 0.986 175 S CB 1.826 65.058 63.200 0.052 0.000 0.985 175 S HN -0.353 8.227 8.310 0.049 -0.241 0.562 176 V N 0.138 120.098 119.914 0.077 0.000 2.588 176 V HA 0.394 4.746 4.120 0.107 -0.167 0.304 176 V C -1.032 175.128 176.094 0.111 0.000 1.042 176 V CA -1.048 61.310 62.300 0.095 0.000 0.877 176 V CB 2.751 34.623 31.823 0.081 0.000 0.996 176 V HN -0.067 8.165 8.190 0.071 0.000 0.425 177 Q N 7.128 127.020 119.800 0.154 0.000 2.322 177 Q HA 0.367 4.937 4.340 0.147 -0.142 0.265 177 Q C -1.132 174.985 176.000 0.195 0.000 0.985 177 Q CA -1.744 54.168 55.803 0.183 0.000 0.849 177 Q CB 3.601 32.477 28.738 0.230 0.000 1.274 177 Q HN 0.258 8.637 8.270 0.180 0.000 0.449 178 L N 6.458 127.764 121.223 0.137 0.000 2.350 178 L HA 0.679 5.256 4.340 0.045 -0.210 0.275 178 L C -1.465 175.442 176.870 0.062 0.000 1.099 178 L CA -1.017 53.869 54.840 0.078 0.000 0.808 178 L CB 1.515 43.608 42.059 0.056 0.000 1.149 178 L HN 0.172 8.774 8.230 0.124 -0.298 0.442 179 A N 1.662 124.460 122.820 -0.036 0.000 2.293 179 A HA 0.553 4.863 4.320 -0.331 -0.188 0.312 179 A C -2.023 175.498 177.584 -0.104 0.000 1.309 179 A CA -2.141 49.761 52.037 -0.226 0.000 0.839 179 A CB 2.364 21.163 19.000 -0.334 0.000 1.155 179 A HN 0.614 8.726 8.150 -0.064 0.000 0.501 180 D N 6.628 126.968 120.400 -0.100 0.000 2.336 180 D HA 0.125 4.705 4.640 -0.099 0.000 0.249 180 D C -1.127 175.079 176.300 -0.158 0.000 1.213 180 D CA -0.581 53.387 54.000 -0.054 0.000 0.870 180 D CB 0.886 41.750 40.800 0.107 0.000 1.076 180 D HN 0.045 8.364 8.370 -0.086 0.000 0.483 181 H N 7.887 126.611 119.070 -0.577 0.000 2.552 181 H HA 0.328 4.782 4.556 -0.389 -0.132 0.311 181 H C -0.532 174.359 175.328 -0.729 0.000 1.071 181 H CA -0.349 55.299 56.048 -0.667 0.000 1.307 181 H CB 0.977 29.949 29.762 -1.316 0.000 1.416 181 H HN 0.327 8.412 8.280 -0.325 0.000 0.464 182 Y N 4.168 124.415 120.300 -0.090 0.000 2.334 182 Y HA 0.280 4.830 4.550 -0.000 0.000 0.336 182 Y C -1.804 174.100 175.900 0.008 0.000 0.960 182 Y CA -0.868 57.226 58.100 -0.010 0.000 1.164 182 Y CB 1.294 39.783 38.460 0.048 0.000 1.155 182 Y HN 0.553 8.895 8.280 0.104 0.000 0.478 183 Q N 3.739 123.621 119.800 0.136 0.000 2.394 183 Q HA 0.946 5.565 4.340 0.148 -0.190 0.273 183 Q C -1.929 174.143 176.000 0.119 0.000 1.089 183 Q CA -2.273 53.620 55.803 0.150 0.000 0.812 183 Q CB 4.795 33.665 28.738 0.219 0.000 1.353 183 Q HN 0.586 8.924 8.270 0.114 0.000 0.438 184 Q N 2.706 122.567 119.800 0.103 0.000 2.345 184 Q HA 0.677 5.170 4.340 0.007 -0.149 0.275 184 Q C -2.182 173.845 176.000 0.044 0.000 1.063 184 Q CA -1.711 54.118 55.803 0.044 0.000 0.819 184 Q CB 4.456 33.219 28.738 0.041 0.000 1.356 184 Q HN 0.746 9.088 8.270 0.120 0.000 0.418 185 N N 3.517 122.181 118.700 -0.060 0.000 2.258 185 N HA 1.099 6.167 4.740 0.114 -0.259 0.299 185 N C -0.889 174.582 175.510 -0.064 0.000 1.047 185 N CA -0.598 52.433 53.050 -0.032 0.000 0.814 185 N CB 4.317 42.699 38.487 -0.175 0.000 1.413 185 N HN 0.243 8.531 8.380 -0.153 0.000 0.478 186 T N -1.749 112.906 114.554 0.168 0.000 2.912 186 T HA 0.656 5.106 4.350 0.167 0.000 0.299 186 T C -2.665 172.253 174.700 0.363 0.000 1.052 186 T CA -3.530 58.696 62.100 0.211 0.000 0.996 186 T CB 1.683 70.627 68.868 0.127 0.000 1.070 186 T HN 0.262 8.652 8.240 0.250 0.000 0.465 187 P HA -0.052 4.667 4.420 0.292 -0.124 0.268 187 P C -0.865 176.542 177.300 0.179 0.000 1.205 187 P CA -0.125 63.134 63.100 0.264 0.000 0.771 187 P CB 0.563 32.370 31.700 0.178 0.000 0.858 188 I N 1.311 121.970 120.570 0.148 0.000 2.333 188 I HA -0.216 4.014 4.170 0.099 0.000 0.246 188 I C 1.305 177.465 176.117 0.072 0.000 1.106 188 I CA 1.210 62.569 61.300 0.098 0.000 1.411 188 I CB 0.241 38.286 38.000 0.076 0.000 1.082 188 I HN 0.138 8.441 8.210 0.155 0.000 0.420 189 G N -1.695 107.143 108.800 0.064 0.000 2.588 189 G HA2 -0.081 3.903 3.960 0.040 0.000 0.281 189 G HA3 -0.081 3.902 3.960 0.037 0.000 0.281 189 G C -0.820 174.106 174.900 0.043 0.000 1.236 189 G CA -0.238 44.888 45.100 0.045 0.000 0.969 189 G HN -0.393 7.938 8.290 0.069 0.000 0.504 190 D N -1.324 119.095 120.400 0.031 0.000 2.398 190 D HA 0.116 4.777 4.640 0.035 0.000 0.210 190 D C 1.069 177.381 176.300 0.021 0.000 1.094 190 D CA 0.029 54.046 54.000 0.029 0.000 0.839 190 D CB 0.405 41.219 40.800 0.023 0.000 0.963 190 D HN 0.247 8.632 8.370 0.026 0.000 0.506 191 G N 1.277 110.087 108.800 0.015 0.000 2.684 191 G HA2 0.027 3.990 3.960 0.005 0.000 0.255 191 G HA3 0.027 3.987 3.960 -0.000 0.000 0.255 191 G C -2.034 172.869 174.900 0.005 0.000 1.219 191 G CA -1.120 43.983 45.100 0.005 0.000 0.901 191 G HN -0.249 8.050 8.290 0.016 0.000 0.548 192 P HA 0.125 4.550 4.420 0.008 0.000 0.275 192 P C -1.042 176.246 177.300 -0.020 0.000 1.227 192 P CA -0.135 62.963 63.100 -0.003 0.000 0.781 192 P CB 0.870 32.565 31.700 -0.008 0.000 0.906 193 V N -4.818 115.092 119.914 -0.006 0.000 3.074 193 V HA 0.335 4.399 4.120 -0.093 0.000 0.314 193 V C -1.173 174.925 176.094 0.007 0.000 1.117 193 V CA -3.323 58.954 62.300 -0.037 0.000 1.014 193 V CB 3.037 34.845 31.823 -0.024 0.000 1.057 193 V HN -0.357 7.844 8.190 0.018 0.000 0.438 194 L N 0.832 122.048 121.223 -0.011 0.000 2.260 194 L HA 0.215 4.564 4.340 0.014 0.000 0.289 194 L C -0.826 176.123 176.870 0.132 0.000 1.057 194 L CA -0.869 53.984 54.840 0.022 0.000 0.811 194 L CB 0.251 42.278 42.059 -0.053 0.000 1.184 194 L HN -0.174 8.009 8.230 -0.079 0.000 0.429 195 L N 5.163 126.449 121.223 0.106 0.000 2.261 195 L HA 0.296 4.697 4.340 0.102 0.000 0.289 195 L C -1.697 175.239 176.870 0.111 0.000 1.059 195 L CA -2.452 52.445 54.840 0.096 0.000 0.816 195 L CB -0.529 41.565 42.059 0.059 0.000 1.191 195 L HN 0.209 8.486 8.230 0.077 0.000 0.431 196 P HA 0.151 4.787 4.420 0.360 0.000 0.279 196 P C -0.986 176.388 177.300 0.123 0.000 1.252 196 P CA -1.462 61.770 63.100 0.221 0.000 0.811 196 P CB 1.274 33.143 31.700 0.282 0.000 1.035 197 D N 1.514 121.896 120.400 -0.030 0.000 2.368 197 D HA -0.183 4.441 4.640 -0.026 0.000 0.240 197 D C -0.697 175.605 176.300 0.002 0.000 1.169 197 D CA 0.408 54.324 54.000 -0.141 0.000 0.906 197 D CB 0.500 41.063 40.800 -0.395 0.000 1.187 197 D HN -0.270 8.059 8.370 -0.069 0.000 0.435 198 N N 0.941 119.658 118.700 0.029 0.000 2.440 198 N HA -0.206 4.801 4.740 0.054 -0.234 0.265 198 N C -0.513 175.076 175.510 0.132 0.000 1.239 198 N CA 1.232 54.323 53.050 0.068 0.000 0.909 198 N CB 0.489 39.005 38.487 0.048 0.000 1.066 198 N HN 0.121 8.507 8.380 0.010 0.000 0.474 199 H N 3.484 122.569 119.070 0.025 0.000 2.950 199 H HA 0.352 4.951 4.556 0.072 0.000 0.272 199 H C -3.055 172.319 175.328 0.076 0.000 1.495 199 H CA -1.002 55.064 56.048 0.030 0.000 1.183 199 H CB 1.581 31.299 29.762 -0.073 0.000 1.867 199 H HN 0.019 8.226 8.280 -0.122 0.000 0.597 200 Y N -5.120 115.058 120.300 -0.204 0.000 2.609 200 Y HA 0.867 5.265 4.550 -0.511 -0.155 0.342 200 Y C -2.802 172.948 175.900 -0.250 0.000 1.058 200 Y CA -2.671 55.170 58.100 -0.432 0.000 1.055 200 Y CB 3.273 41.238 38.460 -0.825 0.000 1.292 200 Y HN -0.096 8.177 8.280 -0.011 0.000 0.476 201 L N -0.155 120.910 121.223 -0.262 0.000 2.280 201 L HA 0.273 4.497 4.340 -0.387 -0.116 0.287 201 L C -0.318 176.471 176.870 -0.136 0.000 1.023 201 L CA -1.184 53.492 54.840 -0.274 0.000 0.819 201 L CB 1.248 43.204 42.059 -0.173 0.000 1.212 201 L HN 0.393 8.408 8.230 -0.185 0.104 0.420 202 S N 4.866 120.442 115.700 -0.207 0.000 2.429 202 S HA 0.077 4.661 4.470 0.191 0.000 0.292 202 S C -0.312 174.299 174.600 0.018 0.000 1.183 202 S CA 0.028 58.248 58.200 0.033 0.000 1.088 202 S CB -0.042 63.169 63.200 0.018 0.000 1.018 202 S HN 0.486 8.557 8.310 -0.398 0.000 0.511 203 T N 6.521 121.108 114.554 0.055 0.000 2.792 203 T HA 0.681 5.233 4.350 0.091 -0.147 0.280 203 T C -1.067 173.725 174.700 0.154 0.000 0.990 203 T CA -2.060 60.095 62.100 0.091 0.000 0.960 203 T CB 2.222 71.123 68.868 0.055 0.000 0.939 203 T HN 0.594 8.875 8.240 0.069 0.000 0.439 204 Q N 5.877 125.798 119.800 0.203 0.000 2.394 204 Q HA 0.419 4.869 4.340 0.183 0.000 0.273 204 Q C -2.111 174.082 176.000 0.322 0.000 1.089 204 Q CA -0.709 55.224 55.803 0.216 0.000 0.812 204 Q CB 5.116 33.929 28.738 0.124 0.000 1.353 204 Q HN 0.379 8.786 8.270 0.227 0.000 0.438 205 S N 0.218 116.091 115.700 0.288 0.000 2.579 205 S HA 1.013 5.758 4.470 0.106 -0.212 0.272 205 S C -1.658 173.048 174.600 0.176 0.000 1.141 205 S CA -1.421 56.901 58.200 0.203 0.000 0.843 205 S CB 3.966 67.327 63.200 0.268 0.000 1.122 205 S HN 0.153 8.615 8.310 0.253 0.000 0.468 206 A N -0.009 122.858 122.820 0.079 0.000 2.488 206 A HA 0.478 4.870 4.320 0.119 0.000 0.298 206 A C -2.789 174.852 177.584 0.096 0.000 1.044 206 A CA -0.539 51.563 52.037 0.109 0.000 0.693 206 A CB 2.753 21.809 19.000 0.095 0.000 1.272 206 A HN 0.368 8.481 8.150 -0.062 0.000 0.402 207 L N 1.710 122.950 121.223 0.029 0.000 2.295 207 L HA 0.845 5.376 4.340 0.035 -0.170 0.285 207 L C -0.385 176.520 176.870 0.058 0.000 1.035 207 L CA -1.153 53.637 54.840 -0.083 0.000 0.806 207 L CB 1.200 42.896 42.059 -0.606 0.000 1.214 207 L HN 0.273 8.505 8.230 0.003 0.000 0.426 208 S N 2.110 117.969 115.700 0.265 0.000 2.811 208 S HA 0.261 4.949 4.470 0.364 0.000 0.311 208 S C -1.887 172.907 174.600 0.323 0.000 1.152 208 S CA -1.557 56.853 58.200 0.351 0.000 0.864 208 S CB 1.743 65.162 63.200 0.364 0.000 1.226 208 S HN 0.696 9.155 8.310 0.249 0.000 0.541 209 K N -0.025 120.515 120.400 0.234 0.000 2.477 209 K HA 0.291 4.725 4.320 0.190 0.000 0.255 209 K C -1.606 175.153 176.600 0.265 0.000 0.952 209 K CA -1.886 54.520 56.287 0.198 0.000 0.826 209 K CB 2.545 35.065 32.500 0.033 0.000 1.331 209 K HN -0.025 8.360 8.250 0.225 0.000 0.437 210 D N 2.588 123.222 120.400 0.390 0.000 2.359 210 D HA 0.445 5.150 4.640 0.109 0.000 0.230 210 D C -0.124 176.244 176.300 0.114 0.000 1.118 210 D CA -3.373 50.707 54.000 0.133 0.000 0.844 210 D CB 1.397 42.174 40.800 -0.038 0.000 1.059 210 D HN -0.027 8.823 8.370 0.800 0.000 0.493 211 P HA -0.062 4.406 4.420 0.080 0.000 0.225 211 P C -0.317 177.003 177.300 0.034 0.000 1.148 211 P CA 1.223 64.361 63.100 0.063 0.000 0.779 211 P CB 0.419 32.146 31.700 0.045 0.000 0.780 212 N N -2.325 116.377 118.700 0.005 0.000 2.280 212 N HA 0.079 4.817 4.740 -0.004 0.000 0.192 212 N C -1.263 174.217 175.510 -0.050 0.000 1.109 212 N CA 0.198 53.239 53.050 -0.016 0.000 0.855 212 N CB 0.949 39.425 38.487 -0.019 0.000 0.974 212 N HN -0.463 8.148 8.380 -0.000 -0.231 0.482 213 E N 0.360 120.499 120.200 -0.102 0.000 2.130 213 E HA 0.020 4.272 4.350 -0.164 0.000 0.284 213 E C -0.161 176.394 176.600 -0.075 0.000 1.018 213 E CA -1.047 55.228 56.400 -0.209 0.000 0.817 213 E CB 0.588 29.909 29.700 -0.632 0.000 1.078 213 E HN -0.753 7.393 8.360 -0.091 0.159 0.396 214 K N 4.215 124.598 120.400 -0.028 0.000 2.314 214 K HA 0.027 4.374 4.320 0.046 0.000 0.198 214 K C 0.889 177.532 176.600 0.072 0.000 1.045 214 K CA 0.142 56.447 56.287 0.031 0.000 0.988 214 K CB -0.254 32.256 32.500 0.016 0.000 0.783 214 K HN 0.272 8.495 8.250 -0.045 0.000 0.484 215 R N 0.732 121.271 120.500 0.066 0.000 2.679 215 R HA -0.002 4.404 4.340 0.110 0.000 0.269 215 R C -1.082 175.375 176.300 0.263 0.000 1.076 215 R CA -0.053 56.121 56.100 0.124 0.000 1.160 215 R CB 0.629 30.985 30.300 0.092 0.000 1.054 215 R HN -0.641 7.913 8.270 0.011 -0.277 0.507 216 D N 0.431 120.988 120.400 0.261 0.000 2.371 216 D HA -0.050 4.767 4.640 0.294 0.000 0.256 216 D C -1.024 175.570 176.300 0.489 0.000 1.193 216 D CA 0.630 54.838 54.000 0.346 0.000 0.881 216 D CB 0.469 41.444 40.800 0.292 0.000 1.143 216 D HN 0.211 8.707 8.370 0.210 0.000 0.473 217 H N 0.363 119.517 119.070 0.140 0.000 2.990 217 H HA 0.590 5.204 4.556 -0.114 -0.126 0.336 217 H C -3.134 171.743 175.328 -0.751 0.000 1.306 217 H CA -1.849 54.086 56.048 -0.189 0.000 1.118 217 H CB 2.639 32.346 29.762 -0.092 0.000 1.856 217 H HN -0.167 8.076 8.280 -0.061 0.000 0.538 218 M N -0.027 119.085 119.600 -0.813 0.000 2.267 218 M HA 0.481 4.663 4.480 -0.497 0.000 0.289 218 M C -2.276 173.971 176.300 -0.087 0.000 1.043 218 M CA -1.136 53.802 55.300 -0.604 0.000 0.928 218 M CB 3.565 35.632 32.600 -0.889 0.000 1.613 218 M HN 0.017 8.001 8.290 -0.510 0.000 0.450 219 I N 6.490 127.078 120.570 0.028 0.000 2.315 219 I HA 0.454 4.707 4.170 -0.109 -0.148 0.291 219 I C -1.628 174.464 176.117 -0.041 0.000 1.006 219 I CA -2.355 58.923 61.300 -0.037 0.000 1.265 219 I CB -0.461 37.539 38.000 0.000 0.000 1.387 219 I HN 0.344 8.596 8.210 0.069 0.000 0.475 220 Y N 9.537 129.671 120.300 -0.275 0.000 2.335 220 Y HA 0.388 5.038 4.550 -0.054 -0.133 0.338 220 Y C -2.500 173.144 175.900 -0.426 0.000 0.977 220 Y CA -2.382 55.616 58.100 -0.169 0.000 1.114 220 Y CB 3.594 42.096 38.460 0.070 0.000 1.182 220 Y HN 0.808 8.995 8.280 -0.155 0.000 0.463 221 F N 6.870 126.349 119.950 -0.785 0.000 2.467 221 F HA 0.658 4.996 4.527 -0.607 -0.176 0.336 221 F C -0.698 174.437 175.800 -1.109 0.000 1.123 221 F CA -2.046 55.522 58.000 -0.721 0.000 0.964 221 F CB 2.739 41.583 39.000 -0.260 0.000 1.136 221 F HN 0.156 8.158 8.300 -0.497 0.000 0.447 222 G N 0.908 109.204 108.800 -0.840 0.000 2.482 222 G HA2 0.792 4.737 3.960 -0.290 0.000 0.317 222 G HA3 0.792 4.673 3.960 -0.131 0.000 0.317 222 G C -2.535 171.946 174.900 -0.698 0.000 1.241 222 G CA -1.374 43.441 45.100 -0.475 0.000 0.967 222 G HN 0.362 8.229 8.290 -0.705 0.000 0.482 223 F N 0.464 120.434 119.950 0.033 0.000 2.671 223 F HA 0.633 5.385 4.527 0.052 -0.194 0.332 223 F C -1.388 174.432 175.800 0.034 0.000 1.189 223 F CA -1.167 56.856 58.000 0.038 0.000 0.988 223 F CB 3.549 42.560 39.000 0.018 0.000 1.258 223 F HN 0.219 8.656 8.300 0.230 0.000 0.471 224 V N 4.021 124.024 119.914 0.149 0.000 2.569 224 V HA 0.880 5.279 4.120 0.056 -0.245 0.301 224 V C -1.004 175.090 176.094 -0.001 0.000 1.044 224 V CA -1.253 61.081 62.300 0.058 0.000 0.874 224 V CB 3.473 35.311 31.823 0.025 0.000 1.002 224 V HN 0.774 8.941 8.190 0.137 0.105 0.424 225 T N 8.783 123.293 114.554 -0.072 0.000 2.881 225 T HA 0.568 5.172 4.350 -0.162 -0.351 0.290 225 T C -1.536 172.970 174.700 -0.324 0.000 1.000 225 T CA -1.263 60.741 62.100 -0.161 0.000 0.978 225 T CB 3.162 71.972 68.868 -0.097 0.000 0.997 225 T HN 0.237 8.434 8.240 -0.072 0.000 0.443 226 A N 6.292 128.813 122.820 -0.499 0.000 2.407 226 A HA 0.398 4.541 4.320 -0.577 -0.169 0.248 226 A C -1.945 175.334 177.584 -0.510 0.000 1.082 226 A CA -0.500 51.156 52.037 -0.635 0.000 0.785 226 A CB 0.976 19.267 19.000 -1.183 0.000 1.020 226 A HN 0.209 8.033 8.150 -0.544 0.000 0.489 227 A N 1.166 123.628 122.820 -0.596 0.000 2.602 227 A HA 0.368 4.530 4.320 -0.263 0.000 0.290 227 A C -2.491 174.925 177.584 -0.281 0.000 1.114 227 A CA -1.266 50.492 52.037 -0.465 0.000 0.683 227 A CB 3.145 21.796 19.000 -0.581 0.000 1.281 227 A HN 0.276 8.018 8.150 -0.680 0.000 0.416 228 A N -0.667 122.144 122.820 -0.015 0.000 2.363 228 A HA 0.201 4.593 4.320 0.120 0.000 0.270 228 A C -0.161 177.591 177.584 0.280 0.000 1.121 228 A CA -0.854 51.258 52.037 0.124 0.000 0.800 228 A CB 0.208 19.282 19.000 0.122 0.000 1.052 228 A HN 0.068 8.229 8.150 0.018 0.000 0.493 229 I N 0.434 121.180 120.570 0.293 0.000 2.710 229 I HA -0.135 4.190 4.170 0.258 0.000 0.286 229 I C 1.046 177.229 176.117 0.110 0.000 1.181 229 I CA 1.087 62.529 61.300 0.236 0.000 1.430 229 I CB 0.644 38.767 38.000 0.205 0.000 1.367 229 I HN 0.114 8.470 8.210 0.244 0.000 0.577 230 T N 2.874 117.428 114.554 -0.000 0.000 3.004 230 T HA 0.141 4.533 4.350 0.070 0.000 0.266 230 T C -0.289 174.458 174.700 0.079 0.000 0.986 230 T CA -0.179 61.951 62.100 0.050 0.000 0.902 230 T CB 0.868 69.802 68.868 0.109 0.000 1.118 230 T HN 0.383 8.534 8.240 -0.149 0.000 0.522 231 H N -1.049 118.029 119.070 0.014 0.000 2.932 231 H HA 0.074 4.614 4.556 -0.027 0.000 0.307 231 H C -1.806 173.478 175.328 -0.074 0.000 1.391 231 H CA -0.800 55.231 56.048 -0.028 0.000 1.130 231 H CB 0.808 30.544 29.762 -0.044 0.000 1.836 231 H HN -0.553 7.553 8.280 -0.290 0.000 0.522 232 G N -1.990 106.847 108.800 0.062 0.000 2.616 232 G HA2 0.083 3.854 3.960 -0.315 0.000 0.268 232 G HA3 0.083 3.974 3.960 -0.115 0.000 0.268 232 G C 0.892 175.672 174.900 -0.200 0.000 1.213 232 G CA -1.373 43.633 45.100 -0.156 0.000 0.926 232 G HN 0.160 8.521 8.290 0.118 0.000 0.523 233 M N -1.788 117.522 119.600 -0.483 0.000 2.394 233 M HA -0.199 3.993 4.480 -0.479 0.000 0.264 233 M C -0.716 175.547 176.300 -0.061 0.000 1.073 233 M CA 1.721 56.778 55.300 -0.405 0.000 1.111 233 M CB 0.211 32.563 32.600 -0.414 0.000 1.401 233 M HN 0.260 8.255 8.290 -0.492 0.000 0.448 234 D N -1.785 118.582 120.400 -0.055 0.000 2.326 234 D HA 0.206 4.848 4.640 0.004 0.000 0.251 234 D C -0.653 175.621 176.300 -0.042 0.000 1.023 234 D CA -0.612 53.378 54.000 -0.016 0.000 0.966 234 D CB 1.077 41.871 40.800 -0.010 0.000 1.156 234 D HN -0.622 7.660 8.370 -0.081 0.040 0.494 235 E N 0.613 120.770 120.200 -0.071 0.000 2.316 235 E HA -0.076 4.127 4.350 -0.245 0.000 0.275 235 E C -0.551 175.876 176.600 -0.288 0.000 1.029 235 E CA -0.085 56.169 56.400 -0.243 0.000 0.871 235 E CB 0.703 30.174 29.700 -0.382 0.000 1.022 235 E HN 0.143 8.490 8.360 -0.022 0.000 0.418 236 L N 7.749 128.786 121.223 -0.309 0.000 2.315 236 L HA 0.104 4.382 4.340 -0.104 0.000 0.283 236 L C -0.989 175.689 176.870 -0.321 0.000 1.089 236 L CA 0.145 54.857 54.840 -0.215 0.000 0.833 236 L CB 0.376 42.337 42.059 -0.162 0.000 1.170 236 L HN 0.171 8.211 8.230 -0.318 0.000 0.442 237 Y N 7.358 127.634 120.300 -0.039 0.000 2.328 237 Y HA 0.123 4.653 4.550 -0.033 0.000 0.337 237 Y C -0.146 175.738 175.900 -0.027 0.000 1.008 237 Y CA -0.179 57.903 58.100 -0.031 0.000 1.129 237 Y CB 0.738 39.184 38.460 -0.024 0.000 1.185 237 Y HN 0.268 8.639 8.280 0.152 0.000 0.476 238 K N 0.000 120.459 120.400 0.099 0.000 2.780 238 K HA 0.000 4.353 4.320 0.055 0.000 0.191 238 K CA 0.000 56.317 56.287 0.050 0.000 0.838 238 K CB 0.000 32.506 32.500 0.009 0.000 1.064 238 K HN 0.000 8.303 8.250 0.089 0.000 0.543