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 2l8v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPVELRANWS EEDLETVIRA VYRQVLGNDY VMASERLVSA ESLLRNGKIT DATA SEQUENCE VREFVRAVAK SELYKEKFLY GNFQTRVIEL NYKHLLGRAP YDESEVIFHL DATA SEQUENCE DLYENEGFDA DIDSYIDSPE YTNSFGDWVV PYYRGLEHHH HHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.376 4.480 -0.173 0.000 0.227 1 M C 0.000 176.176 176.300 -0.207 0.000 1.140 1 M CA 0.000 55.214 55.300 -0.143 0.000 0.988 1 M CB 0.000 32.554 32.600 -0.077 0.000 1.302 2 P HA 0.075 4.222 4.420 -0.456 0.000 0.271 2 P C -1.024 176.191 177.300 -0.142 0.000 1.220 2 P CA -0.804 62.045 63.100 -0.419 0.000 0.768 2 P CB 0.541 31.872 31.700 -0.615 0.000 0.848 3 V N 4.439 124.332 119.914 -0.034 0.000 2.461 3 V HA 0.086 4.201 4.120 -0.009 0.000 0.275 3 V C -1.012 175.099 176.094 0.028 0.000 1.047 3 V CA -0.297 62.009 62.300 0.009 0.000 0.955 3 V CB 0.086 31.936 31.823 0.045 0.000 0.988 3 V HN 0.406 8.605 8.190 0.015 0.000 0.471 4 E N 5.658 125.870 120.200 0.020 0.000 2.340 4 E HA 0.491 5.014 4.350 0.077 -0.127 0.273 4 E C -1.741 174.883 176.600 0.041 0.000 0.891 4 E CA -2.449 53.980 56.400 0.047 0.000 0.757 4 E CB 3.714 33.434 29.700 0.032 0.000 1.231 4 E HN 0.220 8.584 8.360 0.007 0.000 0.439 5 L N 3.971 125.241 121.223 0.078 0.000 2.259 5 L HA 0.275 4.582 4.340 -0.054 0.000 0.288 5 L C -0.619 176.211 176.870 -0.066 0.000 1.051 5 L CA -0.907 53.930 54.840 -0.006 0.000 0.824 5 L CB 0.783 42.853 42.059 0.018 0.000 1.206 5 L HN 0.396 8.725 8.230 0.164 0.000 0.429 6 R N 6.480 126.960 120.500 -0.034 0.000 2.532 6 R HA 0.143 4.408 4.340 -0.126 0.000 0.272 6 R C -0.161 176.136 176.300 -0.005 0.000 1.032 6 R CA -0.796 55.274 56.100 -0.050 0.000 1.089 6 R CB 1.063 31.368 30.300 0.008 0.000 1.098 6 R HN -0.263 8.017 8.270 0.017 0.000 0.526 7 A N 1.098 123.858 122.820 -0.099 0.000 1.969 7 A HA -0.106 4.168 4.320 -0.076 0.000 0.218 7 A C 0.279 177.858 177.584 -0.009 0.000 1.169 7 A CA 1.583 53.576 52.037 -0.072 0.000 0.635 7 A CB 0.126 19.039 19.000 -0.145 0.000 0.810 7 A HN 0.298 8.366 8.150 -0.137 0.000 0.445 8 N N -0.331 118.352 118.700 -0.029 0.000 2.801 8 N HA 0.065 4.678 4.740 -0.211 0.000 0.235 8 N C -1.686 173.814 175.510 -0.017 0.000 1.069 8 N CA -0.900 52.091 53.050 -0.098 0.000 0.946 8 N CB -0.139 38.299 38.487 -0.083 0.000 1.212 8 N HN -0.216 8.135 8.380 -0.024 0.014 0.509 9 W N 0.485 121.735 121.300 -0.084 0.000 2.706 9 W HA 0.394 5.017 4.660 -0.061 0.000 0.346 9 W C -1.552 174.937 176.519 -0.050 0.000 1.071 9 W CA -1.841 55.464 57.345 -0.067 0.000 1.206 9 W CB 1.101 30.516 29.460 -0.076 0.000 1.413 9 W HN -0.363 7.477 8.180 -0.566 0.000 0.542 10 S N 0.565 116.412 115.700 0.244 0.000 2.654 10 S HA 0.149 4.606 4.470 -0.022 0.000 0.283 10 S C 0.727 175.583 174.600 0.426 0.000 1.180 10 S CA -2.045 56.252 58.200 0.163 0.000 1.021 10 S CB 1.593 64.839 63.200 0.077 0.000 1.018 10 S HN -0.171 8.294 8.310 0.258 0.000 0.532 11 E N 4.278 124.676 120.200 0.330 0.000 2.085 11 E HA -0.398 4.331 4.350 0.632 0.000 0.194 11 E C 2.057 178.771 176.600 0.191 0.000 0.994 11 E CA 3.350 59.970 56.400 0.368 0.000 0.801 11 E CB -0.048 29.791 29.700 0.232 0.000 0.743 11 E HN 0.685 9.144 8.360 0.166 0.000 0.453 12 E N -1.947 118.330 120.200 0.130 0.000 2.118 12 E HA -0.310 4.076 4.350 0.060 0.000 0.195 12 E C 2.342 178.983 176.600 0.068 0.000 0.992 12 E CA 2.833 59.279 56.400 0.077 0.000 0.804 12 E CB -0.561 29.173 29.700 0.056 0.000 0.741 12 E HN -0.326 8.101 8.360 0.124 0.007 0.458 13 D N -0.238 120.222 120.400 0.100 0.000 2.117 13 D HA -0.238 4.430 4.640 0.048 0.000 0.198 13 D C 2.150 178.456 176.300 0.010 0.000 0.982 13 D CA 3.010 57.052 54.000 0.071 0.000 0.828 13 D CB 0.090 40.961 40.800 0.118 0.000 0.967 13 D HN -0.567 7.771 8.370 0.147 0.119 0.464 14 L N -0.442 120.767 121.223 -0.023 0.000 2.093 14 L HA -0.270 3.914 4.340 -0.260 0.000 0.208 14 L C 1.493 178.295 176.870 -0.114 0.000 1.085 14 L CA 2.866 57.581 54.840 -0.209 0.000 0.755 14 L CB -0.207 41.553 42.059 -0.498 0.000 0.904 14 L HN -0.536 7.680 8.230 0.097 0.072 0.435 15 E N -2.071 118.109 120.200 -0.034 0.000 2.118 15 E HA -0.358 3.980 4.350 -0.020 0.000 0.195 15 E C 2.721 179.325 176.600 0.006 0.000 0.992 15 E CA 3.225 59.620 56.400 -0.009 0.000 0.804 15 E CB -0.890 28.820 29.700 0.015 0.000 0.741 15 E HN 0.628 8.881 8.360 0.004 0.109 0.458 16 T N 2.274 116.834 114.554 0.009 0.000 2.777 16 T HA -0.281 4.088 4.350 0.031 0.000 0.266 16 T C 1.917 176.635 174.700 0.031 0.000 1.040 16 T CA 4.345 66.458 62.100 0.023 0.000 1.141 16 T CB -0.345 68.535 68.868 0.021 0.000 0.868 16 T HN -0.526 7.615 8.240 0.007 0.103 0.444 17 V N 1.500 121.414 119.914 0.000 0.000 2.237 17 V HA -0.474 3.668 4.120 0.037 0.000 0.245 17 V C 1.474 177.607 176.094 0.064 0.000 1.046 17 V CA 4.607 66.910 62.300 0.006 0.000 1.007 17 V CB -0.361 31.415 31.823 -0.078 0.000 0.638 17 V HN -0.492 7.593 8.190 -0.029 0.087 0.445 18 I N -4.559 116.031 120.570 0.034 0.000 2.361 18 I HA -0.500 3.836 4.170 0.277 0.000 0.251 18 I C 1.665 177.971 176.117 0.315 0.000 1.133 18 I CA 3.861 65.275 61.300 0.190 0.000 1.413 18 I CB -0.712 37.354 38.000 0.110 0.000 1.073 18 I HN 0.125 8.312 8.210 -0.039 0.000 0.424 19 R N -2.066 118.537 120.500 0.172 0.000 2.236 19 R HA -0.260 4.194 4.340 0.190 0.000 0.208 19 R C 1.059 177.465 176.300 0.177 0.000 1.036 19 R CA 2.415 58.611 56.100 0.160 0.000 1.001 19 R CB -0.241 30.108 30.300 0.083 0.000 0.896 19 R HN -0.519 7.798 8.270 0.104 0.016 0.464 20 A N -2.026 120.893 122.820 0.165 0.000 1.930 20 A HA -0.107 4.289 4.320 0.127 0.000 0.215 20 A C 1.091 178.792 177.584 0.194 0.000 1.176 20 A CA 2.288 54.415 52.037 0.149 0.000 0.632 20 A CB 0.142 19.211 19.000 0.115 0.000 0.819 20 A HN -0.617 7.473 8.150 0.151 0.151 0.445 21 V N -3.965 116.103 119.914 0.257 0.000 2.446 21 V HA -0.181 4.075 4.120 0.227 0.000 0.244 21 V C 0.849 177.056 176.094 0.189 0.000 1.039 21 V CA 2.047 64.499 62.300 0.253 0.000 1.045 21 V CB 0.417 32.457 31.823 0.360 0.000 0.681 21 V HN -0.725 7.547 8.190 0.287 0.090 0.459 22 Y N -0.328 120.074 120.300 0.170 0.000 2.578 22 Y HA -0.292 4.287 4.550 0.048 0.000 0.339 22 Y C 0.754 176.706 175.900 0.087 0.000 1.231 22 Y CA 2.041 60.203 58.100 0.104 0.000 1.461 22 Y CB 0.584 39.121 38.460 0.127 0.000 1.323 22 Y HN -0.403 8.169 8.280 0.487 0.000 0.590 23 R N 4.648 125.284 120.500 0.225 0.000 2.429 23 R HA -0.058 4.362 4.340 0.133 0.000 0.302 23 R C -0.994 175.415 176.300 0.181 0.000 1.268 23 R CA -0.354 55.840 56.100 0.157 0.000 1.090 23 R CB -0.916 29.441 30.300 0.094 0.000 1.102 23 R HN 0.011 8.696 8.270 0.187 -0.303 0.522 24 Q N 5.256 125.152 119.800 0.161 0.000 2.301 24 Q HA -0.132 4.285 4.340 0.128 0.000 0.262 24 Q C 0.129 176.191 176.000 0.104 0.000 1.168 24 Q CA -0.188 55.690 55.803 0.125 0.000 0.908 24 Q CB -0.408 28.393 28.738 0.104 0.000 1.348 24 Q HN -0.302 8.068 8.270 0.166 0.000 0.441 25 V N 2.067 122.045 119.914 0.106 0.000 3.641 25 V HA 0.010 4.177 4.120 0.079 0.000 0.286 25 V C 0.156 176.304 176.094 0.089 0.000 1.027 25 V CA -1.131 61.223 62.300 0.090 0.000 1.032 25 V CB 0.444 32.319 31.823 0.087 0.000 1.238 25 V HN -0.228 8.032 8.190 0.117 0.000 0.439 26 L N -5.403 115.866 121.223 0.077 0.000 2.456 26 L HA 0.012 4.394 4.340 0.070 0.000 0.224 26 L C 0.171 177.113 176.870 0.120 0.000 1.148 26 L CA 1.187 56.074 54.840 0.078 0.000 0.825 26 L CB -1.300 40.792 42.059 0.055 0.000 0.937 26 L HN -0.001 8.268 8.230 0.065 0.000 0.450 27 G N -2.477 106.425 108.800 0.170 0.000 2.365 27 G HA2 -0.026 4.181 3.960 0.412 0.000 0.293 27 G HA3 -0.026 4.235 3.960 0.502 0.000 0.293 27 G C -0.522 174.535 174.900 0.261 0.000 1.128 27 G CA -0.682 44.636 45.100 0.364 0.000 0.971 27 G HN -0.373 7.946 8.290 0.134 0.051 0.422 28 N N 3.275 122.050 118.700 0.126 0.000 2.006 28 N HA -0.319 4.443 4.740 0.038 0.000 0.196 28 N C -0.331 175.146 175.510 -0.054 0.000 1.057 28 N CA 2.537 55.593 53.050 0.010 0.000 0.853 28 N CB 0.420 38.886 38.487 -0.034 0.000 1.051 28 N HN 0.002 8.470 8.380 0.146 0.000 0.423 29 D N -2.604 117.654 120.400 -0.236 0.000 2.434 29 D HA 0.131 4.706 4.640 -0.108 0.000 0.275 29 D C -1.526 174.526 176.300 -0.414 0.000 1.172 29 D CA 0.021 53.876 54.000 -0.243 0.000 0.916 29 D CB -1.512 39.162 40.800 -0.210 0.000 1.041 29 D HN -0.091 8.042 8.370 -0.395 0.000 0.501 30 Y N 0.933 121.237 120.300 0.006 0.000 2.738 30 Y HA 0.085 4.638 4.550 0.006 0.000 0.249 30 Y C -0.231 175.672 175.900 0.005 0.000 1.153 30 Y CA -1.797 56.307 58.100 0.007 0.000 1.165 30 Y CB 0.339 38.806 38.460 0.012 0.000 1.235 30 Y HN -0.002 8.326 8.280 0.080 0.000 0.559 31 V N 2.343 122.312 119.914 0.092 0.000 5.889 31 V HA -0.449 3.675 4.120 0.007 0.000 0.209 31 V C -1.293 174.842 176.094 0.068 0.000 0.681 31 V CA 0.389 62.716 62.300 0.046 0.000 0.547 31 V CB -0.949 30.889 31.823 0.025 0.000 0.309 31 V HN -0.061 8.086 8.190 0.037 0.066 0.471 32 M N -1.912 117.739 119.600 0.085 0.000 7.319 32 M HA -0.359 4.192 4.480 0.119 0.000 0.192 32 M C -0.627 175.743 176.300 0.117 0.000 0.480 32 M CA 1.696 57.062 55.300 0.110 0.000 1.311 32 M CB -1.356 31.316 32.600 0.120 0.000 0.421 32 M HN -0.247 8.090 8.290 0.079 0.000 0.219 33 A N 1.334 124.216 122.820 0.104 0.000 2.969 33 A HA 0.182 4.528 4.320 0.043 0.000 0.328 33 A C -1.233 176.387 177.584 0.059 0.000 1.355 33 A CA -0.688 51.387 52.037 0.062 0.000 1.018 33 A CB -0.725 18.303 19.000 0.046 0.000 1.159 33 A HN 0.300 8.524 8.150 0.124 0.000 0.505 34 S N -1.996 113.739 115.700 0.058 0.000 3.350 34 S HA -0.432 4.072 4.470 0.057 0.000 0.341 34 S C -0.419 174.229 174.600 0.080 0.000 1.176 34 S CA 1.205 59.438 58.200 0.055 0.000 0.972 34 S CB -1.091 62.127 63.200 0.029 0.000 0.953 34 S HN 0.022 8.368 8.310 0.060 0.000 0.565 35 E N 1.103 121.376 120.200 0.122 0.000 2.001 35 E HA -0.063 4.368 4.350 0.135 0.000 0.279 35 E C -1.296 175.463 176.600 0.265 0.000 1.045 35 E CA -0.108 56.405 56.400 0.188 0.000 0.833 35 E CB 0.359 30.207 29.700 0.248 0.000 1.077 35 E HN -0.080 8.303 8.360 0.121 0.049 0.397 36 R N 4.881 125.501 120.500 0.201 0.000 2.521 36 R HA 0.210 4.695 4.340 0.242 0.000 0.295 36 R C -0.458 175.954 176.300 0.186 0.000 1.183 36 R CA -0.707 55.510 56.100 0.194 0.000 0.957 36 R CB 1.067 31.434 30.300 0.111 0.000 1.171 36 R HN 0.128 8.485 8.270 0.145 0.000 0.494 37 L N 7.276 128.664 121.223 0.275 0.000 2.701 37 L HA 0.415 4.830 4.340 0.124 0.000 0.237 37 L C -0.244 176.753 176.870 0.211 0.000 1.204 37 L CA -0.841 54.114 54.840 0.193 0.000 1.109 37 L CB -1.234 40.900 42.059 0.124 0.000 1.409 37 L HN 1.058 9.694 8.230 0.476 -0.120 0.428 38 V N 3.484 123.490 119.914 0.153 0.000 2.469 38 V HA -0.489 3.713 4.120 0.137 0.000 0.251 38 V C 0.769 176.939 176.094 0.127 0.000 1.064 38 V CA 3.781 66.158 62.300 0.129 0.000 1.066 38 V CB 0.224 32.101 31.823 0.090 0.000 0.667 38 V HN -0.236 7.987 8.190 0.129 0.045 0.461 39 S N -0.099 115.672 115.700 0.119 0.000 2.362 39 S HA -0.276 4.252 4.470 0.097 0.000 0.221 39 S C 1.792 176.478 174.600 0.143 0.000 1.032 39 S CA 3.760 62.026 58.200 0.109 0.000 0.973 39 S CB -0.419 62.833 63.200 0.086 0.000 0.849 39 S HN 0.199 8.552 8.310 0.112 0.023 0.465 40 A N 2.345 125.276 122.820 0.185 0.000 1.902 40 A HA -0.212 4.251 4.320 0.238 0.000 0.217 40 A C 2.165 179.959 177.584 0.350 0.000 1.181 40 A CA 2.831 55.040 52.037 0.287 0.000 0.623 40 A CB -0.829 18.347 19.000 0.293 0.000 0.818 40 A HN 0.065 8.313 8.150 0.164 0.000 0.443 41 E N -1.662 118.747 120.200 0.348 0.000 2.038 41 E HA -0.454 4.045 4.350 0.248 0.000 0.195 41 E C 2.814 179.477 176.600 0.106 0.000 1.000 41 E CA 3.445 59.993 56.400 0.246 0.000 0.803 41 E CB -0.164 29.677 29.700 0.234 0.000 0.750 41 E HN 0.421 8.980 8.360 0.332 0.000 0.448 42 S N -0.203 115.564 115.700 0.112 0.000 2.383 42 S HA -0.258 4.255 4.470 0.072 0.000 0.227 42 S C 2.262 176.910 174.600 0.079 0.000 1.026 42 S CA 3.600 61.850 58.200 0.084 0.000 0.981 42 S CB -0.071 63.179 63.200 0.083 0.000 0.818 42 S HN -0.496 7.894 8.310 0.134 0.000 0.472 43 L N 1.680 122.958 121.223 0.093 0.000 2.093 43 L HA -0.254 4.141 4.340 0.090 0.000 0.208 43 L C 1.927 178.842 176.870 0.075 0.000 1.085 43 L CA 2.568 57.464 54.840 0.092 0.000 0.755 43 L CB -0.328 41.794 42.059 0.105 0.000 0.904 43 L HN 0.025 8.323 8.230 0.112 0.000 0.435 44 L N -0.370 120.870 121.223 0.028 0.000 2.109 44 L HA -0.143 4.198 4.340 0.001 0.000 0.207 44 L C 2.670 179.465 176.870 -0.126 0.000 1.086 44 L CA 2.595 57.387 54.840 -0.080 0.000 0.760 44 L CB -0.067 41.785 42.059 -0.345 0.000 0.910 44 L HN 0.322 8.584 8.230 0.054 0.000 0.437 45 R N -0.569 119.874 120.500 -0.094 0.000 2.237 45 R HA -0.240 3.931 4.340 -0.282 0.000 0.219 45 R C 1.369 177.742 176.300 0.122 0.000 1.080 45 R CA 2.418 58.473 56.100 -0.076 0.000 0.995 45 R CB -0.141 30.157 30.300 -0.003 0.000 0.875 45 R HN 0.273 8.513 8.270 -0.050 0.000 0.462 46 N N -4.683 114.091 118.700 0.123 0.000 2.336 46 N HA 0.027 4.903 4.740 0.227 0.000 0.189 46 N C -0.627 175.002 175.510 0.198 0.000 1.113 46 N CA 0.601 53.757 53.050 0.176 0.000 0.858 46 N CB 0.941 39.502 38.487 0.122 0.000 0.970 46 N HN -0.628 7.651 8.380 0.078 0.147 0.471 47 G N -0.668 108.234 108.800 0.170 0.000 2.295 47 G HA2 -0.324 3.792 3.960 0.168 0.000 0.287 47 G HA3 -0.324 3.769 3.960 0.220 0.000 0.287 47 G C -0.145 174.885 174.900 0.217 0.000 1.055 47 G CA 1.190 46.404 45.100 0.190 0.000 0.922 47 G HN -0.112 8.020 8.290 0.097 0.217 0.503 48 K N -2.410 118.106 120.400 0.192 0.000 2.329 48 K HA 0.076 4.505 4.320 0.181 0.000 0.198 48 K C 0.229 176.938 176.600 0.182 0.000 1.085 48 K CA 0.619 57.011 56.287 0.174 0.000 0.961 48 K CB 1.548 34.121 32.500 0.122 0.000 0.971 48 K HN 0.159 8.505 8.250 0.159 0.000 0.502 49 I N -3.403 117.264 120.570 0.161 0.000 2.577 49 I HA 0.333 4.633 4.170 0.068 -0.088 0.305 49 I C 0.029 176.161 176.117 0.024 0.000 0.986 49 I CA -1.534 59.822 61.300 0.093 0.000 1.189 49 I CB 2.126 40.178 38.000 0.088 0.000 1.355 49 I HN -0.823 7.480 8.210 0.154 0.000 0.476 50 T N -0.536 113.887 114.554 -0.218 0.000 2.849 50 T HA 0.186 3.665 4.350 -1.451 0.000 0.284 50 T C 1.459 175.945 174.700 -0.357 0.000 1.004 50 T CA -1.403 60.258 62.100 -0.731 0.000 1.021 50 T CB 2.069 70.440 68.868 -0.829 0.000 1.013 50 T HN 0.643 9.250 8.240 -0.149 -0.457 0.527 51 V N 1.809 121.486 119.914 -0.395 0.000 2.469 51 V HA -0.491 3.670 4.120 0.069 0.000 0.251 51 V C 1.847 177.939 176.094 -0.004 0.000 1.064 51 V CA 4.361 66.630 62.300 -0.053 0.000 1.066 51 V CB -0.350 31.481 31.823 0.013 0.000 0.667 51 V HN 0.667 8.396 8.190 -0.769 0.000 0.461 52 R N -1.789 118.635 120.500 -0.126 0.000 2.083 52 R HA -0.419 3.910 4.340 -0.017 0.000 0.237 52 R C 2.556 178.840 176.300 -0.026 0.000 1.137 52 R CA 3.409 59.470 56.100 -0.065 0.000 0.951 52 R CB -0.733 29.500 30.300 -0.111 0.000 0.851 52 R HN -0.129 7.956 8.270 -0.282 0.016 0.434 53 E N -1.204 118.973 120.200 -0.038 0.000 2.150 53 E HA -0.263 4.078 4.350 -0.015 0.000 0.193 53 E C 2.465 179.097 176.600 0.054 0.000 0.985 53 E CA 2.409 58.809 56.400 0.000 0.000 0.814 53 E CB -0.280 29.418 29.700 -0.003 0.000 0.752 53 E HN -0.758 7.463 8.360 -0.098 0.081 0.466 54 F N 1.535 121.448 119.950 -0.062 0.000 2.186 54 F HA -0.305 4.201 4.527 -0.035 0.000 0.299 54 F C 1.250 177.017 175.800 -0.055 0.000 1.090 54 F CA 3.232 61.206 58.000 -0.044 0.000 1.307 54 F CB 0.255 39.239 39.000 -0.026 0.000 1.019 54 F HN -0.202 8.115 8.300 0.185 0.094 0.489 55 V N 0.222 120.131 119.914 -0.008 0.000 2.332 55 V HA -0.609 3.432 4.120 -0.133 0.000 0.248 55 V C 1.425 177.433 176.094 -0.143 0.000 1.055 55 V CA 4.984 67.233 62.300 -0.085 0.000 1.038 55 V CB -0.466 31.358 31.823 0.002 0.000 0.651 55 V HN 0.385 8.563 8.190 0.109 0.077 0.450 56 R N -0.416 120.025 120.500 -0.097 0.000 2.080 56 R HA -0.515 3.782 4.340 -0.071 0.000 0.236 56 R C 1.880 178.104 176.300 -0.127 0.000 1.137 56 R CA 3.754 59.802 56.100 -0.086 0.000 0.943 56 R CB -0.258 30.012 30.300 -0.049 0.000 0.846 56 R HN -0.613 7.542 8.270 -0.058 0.081 0.431 57 A N -1.306 121.405 122.820 -0.181 0.000 1.908 57 A HA -0.245 4.005 4.320 -0.116 0.000 0.218 57 A C 2.184 179.589 177.584 -0.299 0.000 1.181 57 A CA 3.039 54.949 52.037 -0.211 0.000 0.627 57 A CB -0.574 18.286 19.000 -0.233 0.000 0.818 57 A HN -0.513 7.534 8.150 -0.172 0.000 0.445 58 V N -2.803 116.821 119.914 -0.483 0.000 2.453 58 V HA -0.385 3.401 4.120 -0.557 0.000 0.247 58 V C 2.472 178.418 176.094 -0.246 0.000 1.048 58 V CA 3.057 65.049 62.300 -0.512 0.000 1.049 58 V CB -0.930 30.470 31.823 -0.706 0.000 0.672 58 V HN -0.308 7.545 8.190 -0.561 0.000 0.457 59 A N -0.494 122.225 122.820 -0.169 0.000 1.969 59 A HA -0.272 4.017 4.320 -0.051 0.000 0.218 59 A C -0.180 177.447 177.584 0.071 0.000 1.169 59 A CA 2.891 54.897 52.037 -0.053 0.000 0.635 59 A CB -0.011 18.944 19.000 -0.074 0.000 0.810 59 A HN -0.004 8.023 8.150 -0.204 0.000 0.445 60 K N -5.965 114.462 120.400 0.045 0.000 2.455 60 K HA 0.193 4.699 4.320 0.311 0.000 0.206 60 K C 0.729 177.402 176.600 0.121 0.000 1.027 60 K CA -0.679 55.706 56.287 0.162 0.000 1.113 60 K CB 0.425 32.998 32.500 0.121 0.000 0.850 60 K HN -0.682 7.532 8.250 -0.032 0.017 0.503 61 S N 1.380 117.095 115.700 0.025 0.000 2.380 61 S HA -0.303 4.175 4.470 -0.016 -0.017 0.217 61 S C 0.740 175.361 174.600 0.036 0.000 1.036 61 S CA 2.584 60.780 58.200 -0.008 0.000 1.050 61 S CB 0.520 63.669 63.200 -0.085 0.000 1.016 61 S HN -0.394 7.716 8.310 -0.015 0.192 0.419 62 E N 1.551 121.776 120.200 0.041 0.000 2.292 62 E HA 0.051 4.409 4.350 0.013 0.000 0.258 62 E C -0.874 175.726 176.600 0.000 0.000 1.115 62 E CA -1.016 55.398 56.400 0.023 0.000 0.929 62 E CB 1.341 31.056 29.700 0.025 0.000 1.161 62 E HN -0.102 8.282 8.360 0.039 0.000 0.453 63 L N 0.981 122.152 121.223 -0.088 0.000 2.745 63 L HA -0.164 3.957 4.340 -0.365 0.000 0.273 63 L C 0.436 177.147 176.870 -0.265 0.000 1.156 63 L CA 0.830 55.519 54.840 -0.250 0.000 0.982 63 L CB -1.017 40.900 42.059 -0.236 0.000 1.295 63 L HN 0.279 8.466 8.230 -0.071 0.000 0.483 64 Y N 0.531 120.745 120.300 -0.142 0.000 2.574 64 Y HA -0.260 4.160 4.550 -0.217 0.000 0.294 64 Y C 1.106 176.668 175.900 -0.563 0.000 1.142 64 Y CA -0.734 57.187 58.100 -0.299 0.000 1.314 64 Y CB -0.176 38.133 38.460 -0.252 0.000 0.991 64 Y HN -0.222 7.632 8.280 -0.709 0.000 0.555 65 K N 2.125 122.210 120.400 -0.525 0.000 2.278 65 K HA -0.111 3.974 4.320 -0.392 0.000 0.237 65 K C -0.714 175.751 176.600 -0.224 0.000 1.229 65 K CA -0.150 55.931 56.287 -0.343 0.000 1.155 65 K CB -1.571 30.788 32.500 -0.235 0.000 1.590 65 K HN 0.025 7.781 8.250 -0.744 0.048 0.290 66 E N 5.178 125.144 120.200 -0.391 0.000 2.062 66 E HA -0.071 4.204 4.350 -0.125 0.000 0.196 66 E C 0.059 176.487 176.600 -0.287 0.000 0.949 66 E CA 1.638 57.890 56.400 -0.247 0.000 0.889 66 E CB 0.835 30.419 29.700 -0.192 0.000 0.928 66 E HN 0.011 7.917 8.360 -0.680 0.046 0.476 67 K N -4.313 115.858 120.400 -0.383 0.000 2.585 67 K HA 0.188 4.138 4.320 -0.616 0.000 0.198 67 K C -0.202 176.156 176.600 -0.404 0.000 1.403 67 K CA 0.432 56.486 56.287 -0.388 0.000 1.021 67 K CB 2.161 34.596 32.500 -0.108 0.000 1.558 67 K HN 0.232 8.211 8.250 -0.451 0.000 0.524 68 F N -1.477 118.319 119.950 -0.256 0.000 2.662 68 F HA 0.116 4.521 4.527 -0.204 0.000 0.343 68 F C -0.990 174.680 175.800 -0.216 0.000 1.302 68 F CA -0.727 57.154 58.000 -0.199 0.000 1.142 68 F CB -1.882 37.055 39.000 -0.104 0.000 1.524 68 F HN -0.213 8.107 8.300 0.034 0.000 0.668 69 L N 2.931 123.979 121.223 -0.293 0.000 1.309 69 L HA 0.104 4.353 4.340 -0.152 0.000 0.059 69 L C -0.830 175.959 176.870 -0.135 0.000 1.564 69 L CA 1.690 56.398 54.840 -0.220 0.000 1.088 69 L CB 0.409 42.315 42.059 -0.256 0.000 2.160 69 L HN -0.277 7.720 8.230 -0.334 0.033 0.431 70 Y N -4.308 115.901 120.300 -0.153 0.000 2.476 70 Y HA 0.187 4.666 4.550 -0.118 0.000 0.283 70 Y C 0.933 176.737 175.900 -0.160 0.000 1.109 70 Y CA 0.539 58.559 58.100 -0.132 0.000 1.246 70 Y CB 0.127 38.522 38.460 -0.108 0.000 1.068 70 Y HN -0.270 7.791 8.280 -0.364 0.000 0.552 71 G N -0.708 107.683 108.800 -0.682 0.000 3.591 71 G HA2 0.007 3.795 3.960 -0.287 0.000 0.282 71 G HA3 0.007 3.639 3.960 -0.548 0.000 0.282 71 G C -1.588 173.104 174.900 -0.347 0.000 1.238 71 G CA -0.044 44.779 45.100 -0.462 0.000 0.993 71 G HN -0.191 7.447 8.290 -1.087 0.000 0.542 72 N N -1.429 117.052 118.700 -0.364 0.000 3.378 72 N HA 0.051 4.580 4.740 -0.352 0.000 0.294 72 N C -2.246 172.992 175.510 -0.454 0.000 1.544 72 N CA -0.581 52.278 53.050 -0.319 0.000 0.872 72 N CB 1.682 40.120 38.487 -0.082 0.000 1.670 72 N HN -0.799 7.262 8.380 -0.358 0.105 0.551 73 F N -1.485 118.460 119.950 -0.008 0.000 2.469 73 F HA 0.188 4.712 4.527 -0.006 0.000 0.332 73 F C 0.823 176.614 175.800 -0.015 0.000 1.103 73 F CA -0.922 57.073 58.000 -0.008 0.000 0.979 73 F CB 1.962 40.959 39.000 -0.004 0.000 1.137 73 F HN 0.254 8.649 8.300 0.158 0.000 0.463 74 Q N 2.675 122.554 119.800 0.132 0.000 2.096 74 Q HA -0.336 3.975 4.340 -0.048 0.000 0.204 74 Q C 1.758 177.789 176.000 0.053 0.000 0.982 74 Q CA 4.031 59.840 55.803 0.011 0.000 0.850 74 Q CB -1.050 27.651 28.738 -0.060 0.000 0.901 74 Q HN 0.797 9.162 8.270 0.158 0.000 0.422 75 T N -3.090 111.517 114.554 0.088 0.000 2.720 75 T HA -0.273 4.096 4.350 0.032 0.000 0.268 75 T C 2.161 176.889 174.700 0.047 0.000 1.037 75 T CA 3.787 65.917 62.100 0.050 0.000 1.144 75 T CB -0.664 68.217 68.868 0.022 0.000 0.864 75 T HN 0.057 8.367 8.240 0.129 0.007 0.444 76 R N 1.601 122.160 120.500 0.098 0.000 2.075 76 R HA -0.179 4.186 4.340 0.040 0.000 0.232 76 R C 2.214 178.564 176.300 0.084 0.000 1.126 76 R CA 2.630 58.782 56.100 0.088 0.000 0.963 76 R CB -0.705 29.691 30.300 0.160 0.000 0.858 76 R HN -0.763 7.509 8.270 0.163 0.097 0.435 77 V N 0.150 120.137 119.914 0.123 0.000 2.332 77 V HA -0.429 3.804 4.120 0.187 0.000 0.248 77 V C 1.797 177.980 176.094 0.148 0.000 1.055 77 V CA 3.988 66.395 62.300 0.180 0.000 1.038 77 V CB -0.755 31.209 31.823 0.236 0.000 0.651 77 V HN 0.291 8.559 8.190 0.131 0.000 0.450 78 I N -0.029 120.602 120.570 0.102 0.000 2.226 78 I HA -0.507 3.734 4.170 0.119 0.000 0.245 78 I C 2.408 178.551 176.117 0.044 0.000 1.100 78 I CA 4.485 65.830 61.300 0.076 0.000 1.374 78 I CB -0.282 37.737 38.000 0.033 0.000 1.057 78 I HN 0.146 8.407 8.210 0.086 0.000 0.413 79 E N 0.532 120.735 120.200 0.004 0.000 2.110 79 E HA -0.382 3.941 4.350 -0.045 0.000 0.193 79 E C 2.455 179.061 176.600 0.010 0.000 0.988 79 E CA 3.323 59.712 56.400 -0.018 0.000 0.804 79 E CB -0.056 29.617 29.700 -0.045 0.000 0.745 79 E HN -0.514 7.779 8.360 0.008 0.072 0.458 80 L N -0.888 120.333 121.223 -0.004 0.000 1.989 80 L HA -0.490 3.829 4.340 -0.035 0.000 0.211 80 L C 2.420 179.247 176.870 -0.072 0.000 1.071 80 L CA 3.218 58.031 54.840 -0.046 0.000 0.749 80 L CB -0.422 41.571 42.059 -0.110 0.000 0.890 80 L HN 0.237 8.395 8.230 0.013 0.080 0.431 81 N N -1.869 116.767 118.700 -0.106 0.000 2.120 81 N HA -0.311 4.241 4.740 -0.313 0.000 0.188 81 N C 2.319 177.542 175.510 -0.478 0.000 1.024 81 N CA 3.047 55.898 53.050 -0.331 0.000 0.852 81 N CB -0.289 37.947 38.487 -0.418 0.000 1.003 81 N HN -0.032 8.330 8.380 -0.031 0.000 0.424 82 Y N 1.587 121.683 120.300 -0.340 0.000 2.128 82 Y HA -0.459 4.001 4.550 -0.150 0.000 0.284 82 Y C 2.011 177.788 175.900 -0.205 0.000 1.154 82 Y CA 4.597 62.574 58.100 -0.205 0.000 1.149 82 Y CB 0.282 38.673 38.460 -0.116 0.000 0.976 82 Y HN 0.458 8.649 8.280 0.034 0.109 0.505 83 K N -3.057 117.359 120.400 0.027 0.000 2.366 83 K HA -0.239 4.306 4.320 -0.023 -0.238 0.198 83 K C 2.104 178.674 176.600 -0.050 0.000 1.044 83 K CA 2.511 58.794 56.287 -0.006 0.000 0.973 83 K CB -0.077 32.444 32.500 0.035 0.000 0.767 83 K HN -0.058 8.224 8.250 0.053 0.000 0.475 84 H N -0.195 118.782 119.070 -0.156 0.000 2.486 84 H HA -0.048 4.466 4.556 -0.070 0.000 0.287 84 H C 0.794 176.022 175.328 -0.166 0.000 1.010 84 H CA 2.824 58.788 56.048 -0.138 0.000 1.324 84 H CB 1.607 31.273 29.762 -0.161 0.000 1.446 84 H HN -0.444 7.669 8.280 -0.031 0.148 0.537 85 L N -4.033 117.101 121.223 -0.147 0.000 2.470 85 L HA 0.080 4.398 4.340 -0.036 0.000 0.219 85 L C 0.815 177.571 176.870 -0.190 0.000 1.071 85 L CA 0.908 55.633 54.840 -0.192 0.000 0.850 85 L CB 1.228 43.009 42.059 -0.464 0.000 1.040 85 L HN 0.138 8.108 8.230 -0.264 0.101 0.475 86 L N -6.894 114.131 121.223 -0.330 0.000 2.701 86 L HA 0.169 4.281 4.340 -0.381 0.000 0.238 86 L C 0.812 177.205 176.870 -0.795 0.000 1.106 86 L CA -0.352 54.199 54.840 -0.480 0.000 0.898 86 L CB 1.123 42.852 42.059 -0.550 0.000 1.188 86 L HN -0.237 7.677 8.230 -0.358 0.101 0.508 87 G N -0.771 107.768 108.800 -0.436 0.000 2.155 87 G HA2 -0.413 3.657 3.960 -0.153 0.000 0.257 87 G HA3 -0.413 3.424 3.960 -0.413 -0.125 0.257 87 G C -1.647 173.061 174.900 -0.321 0.000 0.983 87 G CA 0.719 45.609 45.100 -0.349 0.000 0.676 87 G HN -0.422 7.620 8.290 -0.288 0.076 0.528 88 R N -1.662 118.694 120.500 -0.240 0.000 2.739 88 R HA 0.410 4.666 4.340 -0.140 0.000 0.271 88 R C -2.405 173.915 176.300 0.035 0.000 1.010 88 R CA -1.273 54.749 56.100 -0.130 0.000 0.897 88 R CB 3.339 33.545 30.300 -0.156 0.000 1.236 88 R HN -0.990 7.096 8.270 -0.233 0.044 0.466 89 A N 2.466 125.248 122.820 -0.064 0.000 2.279 89 A HA 0.350 4.635 4.320 -0.059 0.000 0.303 89 A C -2.268 175.045 177.584 -0.451 0.000 1.108 89 A CA -2.527 49.425 52.037 -0.142 0.000 0.830 89 A CB -0.446 18.489 19.000 -0.109 0.000 1.106 89 A HN 0.366 8.455 8.150 -0.102 0.000 0.493 90 P HA -0.189 3.550 4.420 -1.134 0.000 0.269 90 P C -1.087 175.877 177.300 -0.560 0.000 1.217 90 P CA 0.151 62.753 63.100 -0.829 0.000 0.783 90 P CB 0.349 31.668 31.700 -0.635 0.000 0.898 91 Y N -1.083 119.147 120.300 -0.116 0.000 2.479 91 Y HA -0.057 4.473 4.550 -0.034 0.000 0.283 91 Y C 0.285 176.156 175.900 -0.048 0.000 1.109 91 Y CA 1.305 59.377 58.100 -0.046 0.000 1.239 91 Y CB 0.970 39.425 38.460 -0.008 0.000 1.108 91 Y HN 0.569 9.114 8.280 -0.110 -0.331 0.548 92 D N -3.019 117.443 120.400 0.103 0.000 2.579 92 D HA 0.139 4.797 4.640 0.030 0.000 0.257 92 D C -0.546 175.757 176.300 0.005 0.000 1.176 92 D CA -1.432 52.596 54.000 0.047 0.000 0.914 92 D CB 1.989 42.827 40.800 0.063 0.000 1.431 92 D HN -0.243 8.659 8.370 0.116 -0.462 0.454 93 E N 0.627 120.830 120.200 0.005 0.000 2.209 93 E HA -0.339 4.000 4.350 -0.018 0.000 0.196 93 E C 1.433 178.052 176.600 0.033 0.000 0.993 93 E CA 2.861 59.264 56.400 0.004 0.000 0.819 93 E CB 0.061 29.767 29.700 0.009 0.000 0.745 93 E HN 0.499 8.865 8.360 0.010 0.000 0.477 94 S N -0.089 115.641 115.700 0.049 0.000 2.370 94 S HA -0.374 4.149 4.470 0.088 0.000 0.226 94 S C 2.177 176.857 174.600 0.133 0.000 1.033 94 S CA 3.960 62.209 58.200 0.081 0.000 1.011 94 S CB -0.393 62.843 63.200 0.060 0.000 0.852 94 S HN -0.172 8.420 8.310 0.041 -0.256 0.457 95 E N 0.684 120.947 120.200 0.105 0.000 2.077 95 E HA -0.346 4.158 4.350 0.257 0.000 0.193 95 E C 2.212 178.947 176.600 0.224 0.000 0.989 95 E CA 3.294 59.794 56.400 0.166 0.000 0.800 95 E CB -0.497 29.200 29.700 -0.005 0.000 0.746 95 E HN -0.661 7.738 8.360 0.065 0.000 0.452 96 V N -0.311 119.640 119.914 0.063 0.000 2.295 96 V HA -0.435 3.706 4.120 0.035 0.000 0.246 96 V C 1.725 177.908 176.094 0.149 0.000 1.049 96 V CA 4.184 66.521 62.300 0.061 0.000 1.024 96 V CB -0.323 31.495 31.823 -0.008 0.000 0.648 96 V HN -0.829 7.363 8.190 0.003 0.000 0.447 97 I N -0.327 120.326 120.570 0.139 0.000 2.226 97 I HA -0.466 3.767 4.170 0.104 0.000 0.245 97 I C 2.037 178.258 176.117 0.174 0.000 1.100 97 I CA 2.223 63.604 61.300 0.134 0.000 1.374 97 I CB -1.415 36.652 38.000 0.110 0.000 1.057 97 I HN 0.194 8.472 8.210 0.112 0.000 0.413 98 F N 1.441 121.444 119.950 0.088 0.000 2.134 98 F HA -0.513 4.028 4.527 0.023 0.000 0.299 98 F C 1.730 177.547 175.800 0.029 0.000 1.097 98 F CA 4.381 62.412 58.000 0.051 0.000 1.264 98 F CB -0.014 39.017 39.000 0.051 0.000 1.001 98 F HN 0.304 8.718 8.300 0.365 0.105 0.479 99 H N -1.394 117.699 119.070 0.039 0.000 2.428 99 H HA -0.253 4.178 4.556 -0.208 0.000 0.296 99 H C 2.471 177.789 175.328 -0.016 0.000 1.062 99 H CA 4.142 60.161 56.048 -0.047 0.000 1.350 99 H CB 0.680 30.489 29.762 0.079 0.000 1.403 99 H HN -0.315 8.190 8.280 0.504 0.078 0.533 100 L N 0.051 121.358 121.223 0.140 0.000 2.046 100 L HA -0.399 4.051 4.340 0.183 0.000 0.208 100 L C 1.911 178.841 176.870 0.100 0.000 1.077 100 L CA 3.470 58.392 54.840 0.138 0.000 0.747 100 L CB -0.345 41.781 42.059 0.112 0.000 0.896 100 L HN 0.361 8.610 8.230 0.167 0.081 0.432 101 D N -0.904 119.489 120.400 -0.012 0.000 2.117 101 D HA -0.278 4.351 4.640 -0.018 0.000 0.197 101 D C 2.427 178.641 176.300 -0.143 0.000 0.987 101 D CA 3.510 57.466 54.000 -0.074 0.000 0.829 101 D CB 0.248 40.979 40.800 -0.115 0.000 0.961 101 D HN -0.231 8.129 8.370 -0.018 0.000 0.460 102 L N -0.058 121.003 121.223 -0.269 0.000 2.046 102 L HA -0.307 3.852 4.340 -0.301 0.000 0.208 102 L C 1.036 177.849 176.870 -0.094 0.000 1.077 102 L CA 2.710 57.378 54.840 -0.287 0.000 0.747 102 L CB -0.351 41.415 42.059 -0.489 0.000 0.896 102 L HN -0.298 7.649 8.230 -0.355 0.070 0.432 103 Y N -0.325 119.915 120.300 -0.101 0.000 2.274 103 Y HA -0.322 4.307 4.550 -0.006 -0.082 0.290 103 Y C 1.758 177.656 175.900 -0.003 0.000 1.145 103 Y CA 2.776 60.870 58.100 -0.010 0.000 1.203 103 Y CB -0.160 38.338 38.460 0.063 0.000 0.984 103 Y HN 0.363 8.531 8.280 0.124 0.186 0.533 104 E N -1.857 118.304 120.200 -0.065 0.000 2.170 104 E HA -0.188 4.023 4.350 -0.231 0.000 0.191 104 E C 1.491 178.010 176.600 -0.136 0.000 0.981 104 E CA 1.982 58.306 56.400 -0.127 0.000 0.830 104 E CB -0.439 29.248 29.700 -0.021 0.000 0.775 104 E HN -0.300 7.967 8.360 0.046 0.120 0.470 105 N N -1.204 117.425 118.700 -0.119 0.000 2.092 105 N HA -0.151 4.534 4.740 -0.091 0.000 0.189 105 N C 1.533 176.976 175.510 -0.112 0.000 1.040 105 N CA 2.592 55.576 53.050 -0.109 0.000 0.845 105 N CB 0.733 39.150 38.487 -0.117 0.000 1.017 105 N HN -0.144 8.073 8.380 -0.112 0.096 0.426 106 E N -3.892 116.235 120.200 -0.122 0.000 2.399 106 E HA 0.138 4.436 4.350 -0.086 0.000 0.206 106 E C -0.135 176.402 176.600 -0.106 0.000 0.812 106 E CA 0.150 56.490 56.400 -0.099 0.000 1.138 106 E CB 2.595 32.244 29.700 -0.086 0.000 1.140 106 E HN 0.007 8.289 8.360 -0.131 0.000 0.536 107 G N -0.973 107.751 108.800 -0.125 0.000 2.318 107 G HA2 -0.171 3.737 3.960 -0.442 0.000 0.367 107 G HA3 -0.171 3.741 3.960 -0.080 0.000 0.367 107 G C -1.476 173.513 174.900 0.147 0.000 1.260 107 G CA -0.609 44.420 45.100 -0.119 0.000 1.055 107 G HN -0.358 7.865 8.290 -0.113 0.000 0.484 108 F N 2.198 122.215 119.950 0.112 0.000 2.259 108 F HA -0.169 4.486 4.527 0.213 0.000 0.298 108 F C 0.583 176.278 175.800 -0.174 0.000 1.088 108 F CA 3.323 61.349 58.000 0.044 0.000 1.358 108 F CB 0.656 39.596 39.000 -0.100 0.000 1.040 108 F HN 0.410 8.921 8.300 0.350 0.000 0.505 109 D N -0.089 120.256 120.400 -0.092 0.000 2.097 109 D HA -0.407 4.114 4.640 -0.198 0.000 0.195 109 D C 1.310 177.539 176.300 -0.119 0.000 0.989 109 D CA 4.048 57.971 54.000 -0.129 0.000 0.827 109 D CB -0.321 40.472 40.800 -0.010 0.000 0.966 109 D HN 0.380 8.761 8.370 0.018 0.000 0.456 110 A N -2.494 120.273 122.820 -0.089 0.000 1.968 110 A HA -0.245 4.024 4.320 -0.085 0.000 0.217 110 A C 1.758 179.261 177.584 -0.135 0.000 1.169 110 A CA 2.552 54.530 52.037 -0.099 0.000 0.638 110 A CB -0.550 18.394 19.000 -0.093 0.000 0.812 110 A HN -0.114 8.001 8.150 -0.059 0.000 0.446 111 D N -0.187 120.127 120.400 -0.144 0.000 2.116 111 D HA -0.290 4.255 4.640 -0.159 0.000 0.193 111 D C 2.603 178.875 176.300 -0.047 0.000 0.998 111 D CA 3.285 57.212 54.000 -0.122 0.000 0.836 111 D CB 0.119 40.851 40.800 -0.113 0.000 0.951 111 D HN -0.629 7.571 8.370 -0.121 0.097 0.449 112 I N -0.393 120.102 120.570 -0.125 0.000 2.163 112 I HA -0.567 3.741 4.170 0.229 0.000 0.243 112 I C 2.036 178.203 176.117 0.083 0.000 1.085 112 I CA 3.828 65.138 61.300 0.018 0.000 1.347 112 I CB -0.081 37.823 38.000 -0.160 0.000 1.044 112 I HN -0.380 7.648 8.210 -0.305 0.000 0.408 113 D N -1.083 119.297 120.400 -0.033 0.000 2.265 113 D HA -0.308 4.320 4.640 -0.020 0.000 0.208 113 D C 1.773 178.035 176.300 -0.064 0.000 0.977 113 D CA 3.785 57.761 54.000 -0.039 0.000 0.871 113 D CB -0.748 40.020 40.800 -0.053 0.000 0.925 113 D HN -0.289 8.037 8.370 -0.073 0.000 0.485 114 S N 0.357 115.973 115.700 -0.140 0.000 2.402 114 S HA -0.236 4.133 4.470 -0.169 0.000 0.229 114 S C 1.585 176.015 174.600 -0.284 0.000 1.021 114 S CA 3.352 61.403 58.200 -0.250 0.000 0.974 114 S CB 0.000 62.953 63.200 -0.412 0.000 0.800 114 S HN -0.527 7.542 8.310 -0.141 0.157 0.484 115 Y N -1.295 118.938 120.300 -0.111 0.000 2.561 115 Y HA -0.194 4.193 4.550 -0.272 0.000 0.291 115 Y C 0.966 176.785 175.900 -0.135 0.000 1.141 115 Y CA 2.564 60.553 58.100 -0.186 0.000 1.303 115 Y CB -0.456 37.878 38.460 -0.210 0.000 1.015 115 Y HN -0.395 7.741 8.280 -0.025 0.129 0.547 116 I N -0.488 120.098 120.570 0.027 0.000 2.499 116 I HA -0.394 3.789 4.170 0.022 0.000 0.243 116 I C 1.288 177.400 176.117 -0.009 0.000 1.085 116 I CA 3.003 64.309 61.300 0.009 0.000 1.422 116 I CB 0.368 38.365 38.000 -0.004 0.000 1.165 116 I HN -0.770 7.249 8.210 0.004 0.194 0.440 117 D N -1.233 119.152 120.400 -0.024 0.000 2.363 117 D HA -0.234 4.398 4.640 -0.014 0.000 0.220 117 D C 0.132 176.426 176.300 -0.009 0.000 0.994 117 D CA 1.298 55.286 54.000 -0.019 0.000 0.890 117 D CB 0.192 40.977 40.800 -0.025 0.000 0.906 117 D HN -0.745 7.603 8.370 -0.035 0.000 0.530 118 S N 0.558 116.246 115.700 -0.020 0.000 2.714 118 S HA -0.092 4.377 4.470 -0.002 0.000 0.318 118 S C 0.266 174.918 174.600 0.086 0.000 1.219 118 S CA -1.729 56.477 58.200 0.009 0.000 1.175 118 S CB 0.294 63.450 63.200 -0.073 0.000 0.961 118 S HN -0.735 7.483 8.310 -0.044 0.066 0.518 119 P HA -0.177 4.274 4.420 0.052 0.000 0.214 119 P C 1.076 178.433 177.300 0.094 0.000 1.162 119 P CA 2.394 65.535 63.100 0.068 0.000 0.879 119 P CB 0.175 31.901 31.700 0.042 0.000 0.786 120 E N -1.190 119.079 120.200 0.115 0.000 2.152 120 E HA -0.261 4.103 4.350 0.025 0.000 0.192 120 E C 2.255 178.881 176.600 0.044 0.000 0.983 120 E CA 2.604 59.034 56.400 0.050 0.000 0.818 120 E CB -1.899 27.794 29.700 -0.011 0.000 0.758 120 E HN 0.622 9.067 8.360 0.141 0.000 0.467 121 Y N 0.119 120.439 120.300 0.034 0.000 2.220 121 Y HA -0.324 4.276 4.550 0.082 0.000 0.291 121 Y C 2.608 178.579 175.900 0.118 0.000 1.129 121 Y CA 3.582 61.719 58.100 0.062 0.000 1.161 121 Y CB -0.252 38.207 38.460 -0.001 0.000 0.997 121 Y HN -0.762 7.800 8.280 0.470 0.000 0.522 122 T N 2.420 117.112 114.554 0.229 0.000 2.674 122 T HA -0.449 4.133 4.350 0.175 -0.127 0.265 122 T C 2.204 176.972 174.700 0.113 0.000 1.039 122 T CA 4.379 66.568 62.100 0.149 0.000 1.150 122 T CB -0.124 68.791 68.868 0.078 0.000 0.864 122 T HN -0.281 8.092 8.240 0.221 0.000 0.427 123 N N -0.212 118.539 118.700 0.087 0.000 2.142 123 N HA -0.218 4.559 4.740 0.061 0.000 0.186 123 N C 1.353 176.899 175.510 0.059 0.000 1.023 123 N CA 2.851 55.938 53.050 0.062 0.000 0.852 123 N CB 0.095 38.608 38.487 0.043 0.000 0.998 123 N HN -0.325 8.107 8.380 0.087 0.000 0.424 124 S N -1.076 114.660 115.700 0.060 0.000 2.371 124 S HA -0.136 4.354 4.470 0.032 0.000 0.221 124 S C 1.029 175.690 174.600 0.101 0.000 1.036 124 S CA 2.176 60.405 58.200 0.049 0.000 0.965 124 S CB 0.472 63.669 63.200 -0.005 0.000 0.845 124 S HN -0.306 8.040 8.310 0.061 0.000 0.475 125 F N 0.731 120.676 119.950 -0.009 0.000 2.270 125 F HA -0.073 4.449 4.527 -0.008 0.000 0.295 125 F C -0.792 175.040 175.800 0.053 0.000 1.087 125 F CA 0.729 58.730 58.000 0.001 0.000 1.365 125 F CB 2.291 41.285 39.000 -0.011 0.000 1.056 125 F HN -0.393 7.945 8.300 0.247 0.109 0.506 126 G N -3.446 105.357 108.800 0.005 0.000 2.146 126 G HA2 -0.046 3.893 3.960 -0.036 0.000 0.261 126 G HA3 -0.046 3.782 3.960 -0.221 0.000 0.261 126 G C -1.746 173.180 174.900 0.043 0.000 1.745 126 G CA -0.293 44.769 45.100 -0.063 0.000 0.905 126 G HN -0.818 7.572 8.290 0.167 0.000 0.746 127 D N 1.382 121.808 120.400 0.044 0.000 2.414 127 D HA -0.100 4.508 4.640 -0.053 0.000 0.237 127 D C 0.660 176.866 176.300 -0.158 0.000 0.975 127 D CA 1.456 55.431 54.000 -0.042 0.000 0.917 127 D CB 0.689 41.481 40.800 -0.014 0.000 1.061 127 D HN 0.258 8.673 8.370 0.075 0.000 0.480 128 W N -2.908 118.402 121.300 0.016 0.000 3.223 128 W HA 0.218 4.884 4.660 0.011 0.000 0.389 128 W C -1.199 175.315 176.519 -0.007 0.000 1.118 128 W CA -0.301 57.047 57.345 0.004 0.000 1.902 128 W CB 0.272 29.730 29.460 -0.003 0.000 1.094 128 W HN -0.254 8.106 8.180 0.300 0.000 0.666 129 V N -0.696 119.299 119.914 0.136 0.000 2.472 129 V HA 0.197 4.479 4.120 0.092 -0.106 0.290 129 V C -0.593 175.547 176.094 0.075 0.000 1.037 129 V CA -0.753 61.588 62.300 0.068 0.000 0.908 129 V CB 1.217 33.015 31.823 -0.043 0.000 0.985 129 V HN -0.660 7.566 8.190 0.088 0.017 0.454 130 V N 7.094 127.071 119.914 0.104 0.000 2.461 130 V HA 0.131 4.339 4.120 0.146 0.000 0.275 130 V C -1.788 174.424 176.094 0.196 0.000 1.047 130 V CA -2.418 59.967 62.300 0.142 0.000 0.955 130 V CB 0.236 32.138 31.823 0.132 0.000 0.988 130 V HN 0.707 8.841 8.190 0.095 0.113 0.471 131 P HA -0.130 4.730 4.420 0.733 0.000 0.255 131 P C -1.761 175.696 177.300 0.263 0.000 1.173 131 P CA 0.362 63.684 63.100 0.370 0.000 0.780 131 P CB -0.303 31.521 31.700 0.206 0.000 0.758 132 Y N 1.926 122.417 120.300 0.317 0.000 2.568 132 Y HA 0.126 4.745 4.550 0.114 0.000 0.327 132 Y C -1.298 174.753 175.900 0.252 0.000 1.163 132 Y CA -3.786 54.431 58.100 0.195 0.000 1.219 132 Y CB 0.851 39.381 38.460 0.116 0.000 1.308 132 Y HN -0.793 7.614 8.280 0.213 0.000 0.503 133 Y N 2.877 123.305 120.300 0.213 0.000 2.730 133 Y HA -0.130 4.527 4.550 -0.001 -0.107 0.354 133 Y C -0.595 175.396 175.900 0.152 0.000 1.139 133 Y CA 0.520 58.681 58.100 0.103 0.000 1.516 133 Y CB -0.425 38.091 38.460 0.093 0.000 1.204 133 Y HN 0.269 8.842 8.280 0.489 0.000 0.520 134 R N 9.371 129.639 120.500 -0.387 0.000 2.391 134 R HA 0.157 4.431 4.340 -0.111 0.000 0.310 134 R C -0.598 175.391 176.300 -0.518 0.000 1.174 134 R CA -2.185 53.715 56.100 -0.333 0.000 1.118 134 R CB -0.758 29.428 30.300 -0.189 0.000 1.134 134 R HN 0.306 8.278 8.270 -0.318 0.107 0.524 135 G N 4.007 112.372 108.800 -0.724 0.000 2.356 135 G HA2 -0.145 3.457 3.960 -0.597 0.000 0.273 135 G HA3 -0.145 3.529 3.960 -0.477 0.000 0.273 135 G C -1.107 173.672 174.900 -0.201 0.000 1.213 135 G CA -0.114 44.658 45.100 -0.546 0.000 0.955 135 G HN -0.109 7.777 8.290 -0.673 0.000 0.454 136 L N 4.971 126.118 121.223 -0.126 0.000 2.295 136 L HA 0.070 4.404 4.340 -0.010 0.000 0.288 136 L C -0.372 176.476 176.870 -0.037 0.000 1.079 136 L CA -0.912 53.911 54.840 -0.027 0.000 0.830 136 L CB 0.931 43.013 42.059 0.038 0.000 1.200 136 L HN 0.050 8.196 8.230 -0.141 0.000 0.438 137 E N 7.994 128.170 120.200 -0.040 0.000 2.217 137 E HA 0.082 4.240 4.350 -0.321 0.000 0.279 137 E C -0.716 175.861 176.600 -0.039 0.000 1.068 137 E CA -1.263 55.051 56.400 -0.144 0.000 0.882 137 E CB -0.015 29.627 29.700 -0.097 0.000 1.039 137 E HN 0.362 8.717 8.360 -0.007 0.000 0.418 138 H N 3.524 122.634 119.070 0.067 0.000 3.034 138 H HA -0.123 4.346 4.556 -0.144 0.000 0.324 138 H C -0.739 174.608 175.328 0.032 0.000 1.015 138 H CA -0.014 56.021 56.048 -0.022 0.000 1.429 138 H CB 0.205 29.960 29.762 -0.012 0.000 1.429 138 H HN 0.586 8.430 8.280 -0.727 0.000 0.585 139 H N 3.911 123.082 119.070 0.168 0.000 2.865 139 H HA 0.296 4.879 4.556 0.044 0.000 0.372 139 H C -0.905 174.480 175.328 0.094 0.000 1.173 139 H CA -1.267 54.809 56.048 0.047 0.000 1.147 139 H CB 1.760 31.489 29.762 -0.054 0.000 1.805 139 H HN 0.037 7.978 8.280 -0.565 0.000 0.553 140 H N 0.884 120.109 119.070 0.257 0.000 2.702 140 H HA 0.148 4.800 4.556 0.160 0.000 0.252 140 H C 0.237 175.767 175.328 0.337 0.000 1.493 140 H CA -2.111 54.065 56.048 0.215 0.000 1.273 140 H CB -0.924 28.930 29.762 0.154 0.000 1.537 140 H HN 0.314 8.267 8.280 -0.545 0.000 0.547 141 H N 2.504 121.738 119.070 0.274 0.000 1.452 141 H HA -0.525 4.198 4.556 0.278 0.000 0.090 141 H C -0.917 174.598 175.328 0.311 0.000 0.602 141 H CA 3.107 59.327 56.048 0.287 0.000 1.901 141 H CB -0.648 29.268 29.762 0.257 0.000 2.257 141 H HN 0.327 8.806 8.280 0.332 0.000 0.961 142 H N -0.612 118.696 119.070 0.398 0.000 3.359 142 H HA 0.103 4.653 4.556 -0.010 0.000 0.258 142 H C -1.340 174.036 175.328 0.081 0.000 1.164 142 H CA -0.192 55.937 56.048 0.135 0.000 1.008 142 H CB 1.719 31.527 29.762 0.077 0.000 2.548 142 H HN 0.222 8.971 8.280 0.782 0.000 0.733 143 H N 0.000 119.174 119.070 0.174 0.000 2.539 143 H HA 0.000 4.596 4.556 0.066 0.000 0.296 143 H CA 0.000 56.141 56.048 0.154 0.000 1.023 143 H CB 0.000 29.849 29.762 0.146 0.000 1.292 143 H HN 0.000 8.569 8.280 0.481 0.000 0.496