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 2f63_1_A DATA FIRST_RESID 1 DATA SEQUENCE TVAYIAIGSN LASPLEQVNA ALKALGDIPE SHILTVSSFY RTPPLGPQDQ DATA SEQUENCE PDYLNAAVAL ETSLAPEELL NHTQRIELQQ GRVRKAERWG PRTLDLDIML DATA SEQUENCE FGNEVINTER LTVPHYDMKN RGFMLWPLFE IAPELVFPDG EMLRQILHTR DATA SEQUENCE AFDKLNKW 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 T HA 0.000 4.208 4.350 -0.237 0.000 0.228 1 T C 0.000 174.573 174.700 -0.212 0.000 1.109 1 T CA 0.000 61.947 62.100 -0.255 0.000 1.349 1 T CB 0.000 68.593 68.868 -0.458 0.000 0.612 2 V N 3.627 123.427 119.914 -0.191 0.000 2.532 2 V HA 0.118 4.308 4.120 -0.102 -0.131 0.295 2 V C -1.421 174.684 176.094 0.018 0.000 1.041 2 V CA -1.451 60.768 62.300 -0.133 0.000 0.926 2 V CB 2.501 34.160 31.823 -0.272 0.000 0.992 2 V HN 0.387 8.474 8.190 -0.171 0.000 0.457 3 A N 4.657 127.536 122.820 0.100 0.000 2.322 3 A HA 0.407 5.204 4.320 0.795 0.000 0.327 3 A C -0.795 176.860 177.584 0.119 0.000 1.394 3 A CA -1.821 50.433 52.037 0.362 0.000 0.921 3 A CB 1.122 20.313 19.000 0.318 0.000 1.153 3 A HN 0.394 8.406 8.150 -0.018 0.127 0.523 4 Y N 5.317 125.707 120.300 0.150 0.000 2.613 4 Y HA 0.100 4.688 4.550 0.064 0.000 0.354 4 Y C -1.155 174.795 175.900 0.084 0.000 1.063 4 Y CA -0.609 57.544 58.100 0.088 0.000 1.384 4 Y CB -1.279 37.225 38.460 0.075 0.000 1.199 4 Y HN 0.464 9.237 8.280 0.822 0.000 0.517 5 I N 2.146 122.808 120.570 0.154 0.000 2.648 5 I HA 0.705 5.126 4.170 0.133 -0.171 0.304 5 I C -1.503 174.678 176.117 0.106 0.000 1.009 5 I CA -2.110 59.260 61.300 0.117 0.000 1.114 5 I CB 4.254 42.296 38.000 0.070 0.000 1.293 5 I HN -0.605 7.658 8.210 0.088 0.000 0.449 6 A N 2.885 125.771 122.820 0.111 0.000 2.291 6 A HA 0.484 4.869 4.320 0.108 0.000 0.311 6 A C -1.800 175.833 177.584 0.082 0.000 1.224 6 A CA -1.490 50.618 52.037 0.118 0.000 0.821 6 A CB 1.427 20.540 19.000 0.187 0.000 1.172 6 A HN -0.020 8.194 8.150 0.108 0.000 0.494 7 I N 4.183 124.786 120.570 0.055 0.000 2.437 7 I HA 0.193 4.389 4.170 0.042 0.000 0.298 7 I C -0.634 175.501 176.117 0.030 0.000 0.984 7 I CA -0.921 60.402 61.300 0.037 0.000 1.214 7 I CB 2.481 40.493 38.000 0.021 0.000 1.365 7 I HN -0.481 7.760 8.210 0.052 0.000 0.469 8 G N 2.762 111.601 108.800 0.065 0.000 2.574 8 G HA2 0.723 4.963 3.960 0.108 0.000 0.299 8 G HA3 0.723 4.860 3.960 0.295 0.000 0.299 8 G C -2.227 172.760 174.900 0.145 0.000 1.298 8 G CA -1.344 43.862 45.100 0.177 0.000 0.952 8 G HN 0.144 8.467 8.290 0.056 0.000 0.477 9 S N -1.163 114.668 115.700 0.218 0.000 2.548 9 S HA 0.624 5.338 4.470 0.077 -0.198 0.278 9 S C -1.349 173.351 174.600 0.167 0.000 1.150 9 S CA -0.959 57.309 58.200 0.114 0.000 0.907 9 S CB 2.996 66.207 63.200 0.019 0.000 1.108 9 S HN -0.443 8.102 8.310 0.392 0.000 0.459 10 N N 2.372 121.128 118.700 0.092 0.000 3.296 10 N HA 0.215 5.041 4.740 0.142 0.000 0.266 10 N C 0.701 176.242 175.510 0.051 0.000 0.984 10 N CA 1.210 54.315 53.050 0.093 0.000 1.228 10 N CB 1.644 40.159 38.487 0.047 0.000 1.239 10 N HN -0.008 8.403 8.380 0.052 0.000 1.043 11 L N 0.820 122.059 121.223 0.026 0.000 2.930 11 L HA 0.033 4.389 4.340 0.026 0.000 0.250 11 L C -0.700 176.179 176.870 0.013 0.000 1.320 11 L CA -0.574 54.278 54.840 0.019 0.000 1.163 11 L CB -2.794 39.271 42.059 0.010 0.000 1.542 11 L HN -0.459 7.780 8.230 0.016 0.000 0.428 12 A N -1.542 121.285 122.820 0.011 0.000 2.942 12 A HA 0.134 4.454 4.320 0.001 0.000 0.229 12 A C -1.388 176.186 177.584 -0.016 0.000 1.326 12 A CA 0.067 52.103 52.037 -0.001 0.000 1.355 12 A CB 0.695 19.694 19.000 -0.002 0.000 1.231 12 A HN -0.298 7.749 8.150 0.018 0.114 0.851 13 S N -1.127 114.562 115.700 -0.018 0.000 3.349 13 S HA -0.297 4.146 4.470 -0.045 0.000 0.437 13 S C -1.499 173.036 174.600 -0.109 0.000 0.771 13 S CA -0.213 57.954 58.200 -0.056 0.000 1.354 13 S CB -1.074 62.092 63.200 -0.056 0.000 1.126 13 S HN 0.171 8.482 8.310 0.001 0.000 0.687 14 P HA -0.224 4.136 4.420 -0.099 0.000 0.219 14 P C 0.881 178.002 177.300 -0.299 0.000 1.144 14 P CA 2.117 65.091 63.100 -0.210 0.000 0.806 14 P CB -0.010 31.506 31.700 -0.306 0.000 0.771 15 L N -4.848 116.158 121.223 -0.362 0.000 2.168 15 L HA -0.066 4.077 4.340 -0.329 0.000 0.203 15 L C 1.539 178.312 176.870 -0.162 0.000 1.078 15 L CA 2.838 57.485 54.840 -0.322 0.000 0.780 15 L CB -0.140 41.680 42.059 -0.399 0.000 0.939 15 L HN -0.315 7.644 8.230 -0.355 0.058 0.451 16 E N -0.922 119.201 120.200 -0.128 0.000 2.077 16 E HA -0.353 3.957 4.350 -0.067 0.000 0.193 16 E C 2.259 178.826 176.600 -0.056 0.000 0.989 16 E CA 2.969 59.324 56.400 -0.075 0.000 0.800 16 E CB -0.525 29.140 29.700 -0.058 0.000 0.746 16 E HN -0.537 7.737 8.360 -0.144 0.000 0.452 17 Q N -2.398 117.368 119.800 -0.057 0.000 2.030 17 Q HA -0.257 4.315 4.340 -0.026 -0.248 0.204 17 Q C 2.795 178.776 176.000 -0.031 0.000 0.986 17 Q CA 2.427 58.209 55.803 -0.035 0.000 0.843 17 Q CB -0.070 28.652 28.738 -0.026 0.000 0.904 17 Q HN -0.550 7.677 8.270 -0.072 0.000 0.420 18 V N -0.520 119.370 119.914 -0.040 0.000 2.380 18 V HA -0.623 3.487 4.120 -0.017 0.000 0.251 18 V C 1.725 177.806 176.094 -0.022 0.000 1.063 18 V CA 4.371 66.655 62.300 -0.026 0.000 1.055 18 V CB -0.459 31.352 31.823 -0.021 0.000 0.657 18 V HN -0.719 7.435 8.190 -0.061 0.000 0.455 19 N N -0.338 118.346 118.700 -0.027 0.000 2.007 19 N HA -0.388 4.341 4.740 -0.019 0.000 0.197 19 N C 1.774 177.270 175.510 -0.023 0.000 1.050 19 N CA 3.373 56.409 53.050 -0.023 0.000 0.856 19 N CB -0.406 38.066 38.487 -0.025 0.000 1.050 19 N HN -0.794 7.551 8.380 -0.037 0.012 0.423 20 A N -3.512 119.295 122.820 -0.021 0.000 2.259 20 A HA 0.089 4.398 4.320 -0.018 0.000 0.208 20 A C -0.057 177.519 177.584 -0.015 0.000 1.201 20 A CA 0.917 52.944 52.037 -0.017 0.000 0.824 20 A CB -0.922 18.069 19.000 -0.015 0.000 0.838 20 A HN -0.580 7.556 8.150 -0.023 0.000 0.485 21 A N -1.677 121.134 122.820 -0.015 0.000 1.997 21 A HA -0.042 4.275 4.320 -0.005 0.000 0.212 21 A C 0.837 178.413 177.584 -0.013 0.000 1.178 21 A CA 1.911 53.943 52.037 -0.009 0.000 0.698 21 A CB 1.061 20.057 19.000 -0.006 0.000 0.842 21 A HN -0.487 7.421 8.150 -0.018 0.231 0.458 22 L N -7.263 113.947 121.223 -0.022 0.000 2.515 22 L HA 0.300 4.622 4.340 -0.029 0.000 0.223 22 L C 0.977 177.821 176.870 -0.042 0.000 1.079 22 L CA 1.450 56.270 54.840 -0.033 0.000 0.857 22 L CB 0.046 42.081 42.059 -0.041 0.000 1.050 22 L HN -0.670 7.547 8.230 -0.023 0.000 0.476 23 K N -2.157 118.221 120.400 -0.036 0.000 2.262 23 K HA -0.097 4.193 4.320 -0.050 0.000 0.200 23 K C 2.033 178.615 176.600 -0.031 0.000 1.049 23 K CA 1.735 57.999 56.287 -0.038 0.000 0.979 23 K CB -0.045 32.435 32.500 -0.032 0.000 0.773 23 K HN -0.495 7.737 8.250 -0.030 0.000 0.474 24 A N 0.119 122.924 122.820 -0.024 0.000 2.070 24 A HA -0.139 4.170 4.320 -0.019 0.000 0.220 24 A C 1.242 178.811 177.584 -0.025 0.000 1.159 24 A CA 2.308 54.333 52.037 -0.020 0.000 0.656 24 A CB -1.024 17.969 19.000 -0.012 0.000 0.800 24 A HN -0.259 7.878 8.150 -0.022 0.000 0.453 25 L N -4.589 116.617 121.223 -0.029 0.000 2.275 25 L HA -0.274 4.048 4.340 -0.030 0.000 0.215 25 L C 1.587 178.438 176.870 -0.032 0.000 1.119 25 L CA 1.111 55.931 54.840 -0.032 0.000 0.790 25 L CB -0.803 41.236 42.059 -0.033 0.000 0.919 25 L HN -0.240 7.928 8.230 -0.030 0.044 0.443 26 G N -3.469 105.311 108.800 -0.033 0.000 2.443 26 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 26 G HA3 -0.174 3.776 3.960 -0.017 0.000 0.219 26 G C 0.123 175.027 174.900 0.007 0.000 1.131 26 G CA 1.168 46.262 45.100 -0.010 0.000 0.775 26 G HN -0.358 7.740 8.290 -0.037 0.169 0.547 27 D N -1.020 119.369 120.400 -0.018 0.000 2.301 27 D HA 0.090 4.721 4.640 -0.016 0.000 0.206 27 D C 0.480 176.741 176.300 -0.063 0.000 0.979 27 D CA 0.753 54.736 54.000 -0.028 0.000 0.874 27 D CB 0.958 41.742 40.800 -0.027 0.000 0.968 27 D HN -0.740 7.477 8.370 -0.025 0.138 0.510 28 I N 1.759 122.275 120.570 -0.090 0.000 2.906 28 I HA -0.130 3.884 4.170 -0.259 0.000 0.301 28 I C -1.650 174.349 176.117 -0.197 0.000 1.221 28 I CA -3.123 58.059 61.300 -0.196 0.000 1.435 28 I CB -1.461 36.431 38.000 -0.180 0.000 1.345 28 I HN -0.780 7.297 8.210 -0.064 0.095 0.558 29 P HA -0.046 4.318 4.420 -0.094 0.000 0.265 29 P C 0.004 177.246 177.300 -0.097 0.000 1.193 29 P CA 0.861 63.864 63.100 -0.161 0.000 0.765 29 P CB 0.346 31.955 31.700 -0.151 0.000 0.823 30 E N -2.219 117.963 120.200 -0.030 0.000 3.065 30 E HA -0.386 3.969 4.350 0.008 0.000 0.277 30 E C -0.839 175.782 176.600 0.036 0.000 1.008 30 E CA 1.837 58.244 56.400 0.012 0.000 0.864 30 E CB -1.070 28.654 29.700 0.041 0.000 1.439 30 E HN 0.499 8.840 8.360 -0.031 0.000 0.445 31 S N -1.467 114.245 115.700 0.020 0.000 2.454 31 S HA 0.188 4.705 4.470 0.079 0.000 0.306 31 S C -1.299 173.367 174.600 0.111 0.000 1.100 31 S CA -0.347 57.884 58.200 0.051 0.000 1.087 31 S CB 1.840 65.040 63.200 0.001 0.000 1.019 31 S HN -0.565 7.672 8.310 -0.015 0.064 0.480 32 H N 6.210 125.270 119.070 -0.017 0.000 3.177 32 H HA 0.216 4.754 4.556 -0.030 0.000 0.314 32 H C -1.751 173.558 175.328 -0.033 0.000 1.059 32 H CA -0.535 55.497 56.048 -0.027 0.000 1.515 32 H CB 2.908 32.655 29.762 -0.025 0.000 1.672 32 H HN 0.140 8.396 8.280 0.126 0.100 0.514 33 I N 6.589 126.982 120.570 -0.294 0.000 2.775 33 I HA -0.391 3.684 4.170 -0.160 0.000 0.290 33 I C -1.327 174.597 176.117 -0.322 0.000 1.203 33 I CA 1.743 62.892 61.300 -0.251 0.000 1.433 33 I CB 0.532 38.413 38.000 -0.200 0.000 1.354 33 I HN 0.409 8.461 8.210 -0.263 0.000 0.579 34 L N 8.297 129.402 121.223 -0.198 0.000 2.783 34 L HA 0.293 4.528 4.340 -0.174 0.000 0.174 34 L C -0.522 176.265 176.870 -0.138 0.000 1.235 34 L CA 0.491 55.236 54.840 -0.158 0.000 0.862 34 L CB 1.849 43.842 42.059 -0.110 0.000 1.249 34 L HN 0.400 8.530 8.230 -0.167 0.000 0.518 35 T N -1.819 112.654 114.554 -0.135 0.000 2.925 35 T HA 0.170 4.451 4.350 -0.115 0.000 0.285 35 T C -1.483 173.140 174.700 -0.128 0.000 1.021 35 T CA -1.379 60.646 62.100 -0.126 0.000 1.042 35 T CB 2.050 70.843 68.868 -0.125 0.000 1.037 35 T HN -0.505 7.647 8.240 -0.147 0.000 0.481 36 V N 2.760 122.603 119.914 -0.119 0.000 2.638 36 V HA 0.078 4.133 4.120 -0.107 0.000 0.306 36 V C -0.716 175.308 176.094 -0.117 0.000 1.052 36 V CA -1.383 60.849 62.300 -0.113 0.000 0.885 36 V CB 3.194 34.951 31.823 -0.110 0.000 0.999 36 V HN 0.141 8.261 8.190 -0.116 0.000 0.424 37 S N 8.136 123.776 115.700 -0.100 0.000 2.329 37 S HA 0.084 4.493 4.470 -0.101 0.000 0.234 37 S C -0.095 174.434 174.600 -0.119 0.000 1.288 37 S CA -0.226 57.926 58.200 -0.081 0.000 0.988 37 S CB 0.583 63.762 63.200 -0.035 0.000 0.924 37 S HN 0.009 8.267 8.310 -0.086 0.000 0.479 38 S N -1.653 114.016 115.700 -0.051 0.000 2.811 38 S HA 0.336 4.477 4.470 -0.548 0.000 0.311 38 S C -2.049 172.391 174.600 -0.266 0.000 1.152 38 S CA -1.057 56.898 58.200 -0.409 0.000 0.864 38 S CB 2.755 65.583 63.200 -0.620 0.000 1.226 38 S HN -0.213 8.239 8.310 0.236 0.000 0.541 39 F N -3.945 115.909 119.950 -0.160 0.000 2.411 39 F HA 0.404 4.962 4.527 0.051 0.000 0.350 39 F C -0.815 174.885 175.800 -0.166 0.000 1.114 39 F CA -2.953 55.001 58.000 -0.077 0.000 1.135 39 F CB -0.001 38.938 39.000 -0.102 0.000 1.120 39 F HN -0.113 7.135 8.300 -1.753 0.000 0.495 40 Y N 2.809 123.278 120.300 0.282 0.000 2.350 40 Y HA 0.215 4.965 4.550 0.333 0.000 0.338 40 Y C -1.205 174.818 175.900 0.205 0.000 0.961 40 Y CA -1.161 57.101 58.100 0.270 0.000 1.100 40 Y CB 3.262 41.878 38.460 0.261 0.000 1.179 40 Y HN 0.580 9.159 8.280 0.497 0.000 0.454 41 R N 4.677 125.394 120.500 0.361 0.000 2.390 41 R HA 0.624 5.319 4.340 0.272 -0.192 0.291 41 R C -0.708 175.708 176.300 0.192 0.000 1.070 41 R CA -0.391 55.872 56.100 0.272 0.000 1.014 41 R CB 1.737 32.157 30.300 0.200 0.000 1.007 41 R HN 0.434 8.751 8.270 0.346 0.160 0.466 42 T N 4.627 119.267 114.554 0.142 0.000 2.830 42 T HA 0.254 4.709 4.350 0.175 0.000 0.322 42 T C -2.785 172.104 174.700 0.315 0.000 1.501 42 T CA -3.143 59.075 62.100 0.197 0.000 1.036 42 T CB 1.629 70.644 68.868 0.245 0.000 1.379 42 T HN 0.056 8.356 8.240 0.101 0.000 0.493 43 P HA 0.395 4.948 4.420 0.222 0.000 0.276 43 P C -2.078 175.381 177.300 0.265 0.000 1.235 43 P CA -1.516 61.729 63.100 0.241 0.000 0.772 43 P CB -0.160 31.619 31.700 0.132 0.000 0.871 44 P HA 0.161 4.302 4.420 -0.465 0.000 0.289 44 P C -1.204 175.997 177.300 -0.165 0.000 1.299 44 P CA -1.163 61.710 63.100 -0.379 0.000 0.766 44 P CB 0.778 31.991 31.700 -0.812 0.000 1.226 45 L N -1.517 119.559 121.223 -0.245 0.000 2.492 45 L HA 0.267 4.596 4.340 -0.113 -0.057 0.258 45 L C -0.387 176.367 176.870 -0.192 0.000 1.028 45 L CA -0.253 54.443 54.840 -0.239 0.000 0.900 45 L CB 0.667 42.449 42.059 -0.462 0.000 1.191 45 L HN 0.213 8.226 8.230 -0.363 0.000 0.459 46 G N 0.960 109.771 108.800 0.018 0.000 2.360 46 G HA2 0.086 4.279 3.960 0.389 0.000 0.276 46 G HA3 0.086 4.242 3.960 0.107 -0.132 0.276 46 G C -2.422 172.537 174.900 0.099 0.000 1.256 46 G CA 0.434 45.631 45.100 0.160 0.000 0.890 46 G HN -0.994 7.452 8.290 0.007 -0.152 0.486 47 P HA 0.093 4.546 4.420 0.055 0.000 0.208 47 P C -0.396 176.911 177.300 0.013 0.000 1.100 47 P CA -0.392 62.737 63.100 0.048 0.000 0.673 47 P CB 0.756 32.484 31.700 0.047 0.000 0.690 48 Q N -2.541 117.260 119.800 0.002 0.000 2.179 48 Q HA -0.427 3.911 4.340 -0.004 0.000 0.439 48 Q C -0.800 175.198 176.000 -0.003 0.000 0.717 48 Q CA 1.941 57.737 55.803 -0.010 0.000 0.885 48 Q CB -1.474 27.240 28.738 -0.040 0.000 3.233 48 Q HN 0.044 8.320 8.270 0.010 0.000 0.899 49 D N -3.205 117.190 120.400 -0.010 0.000 2.516 49 D HA -0.093 4.552 4.640 0.007 0.000 0.241 49 D C -1.256 175.045 176.300 0.001 0.000 1.246 49 D CA 0.148 54.149 54.000 0.003 0.000 0.808 49 D CB 1.418 42.224 40.800 0.011 0.000 1.147 49 D HN 0.102 8.458 8.370 -0.024 0.000 0.527 50 Q N -2.409 117.378 119.800 -0.022 0.000 2.459 50 Q HA -0.171 4.123 4.340 -0.078 0.000 0.322 50 Q C -2.210 173.803 176.000 0.022 0.000 1.427 50 Q CA 0.165 55.953 55.803 -0.025 0.000 0.861 50 Q CB -2.541 26.191 28.738 -0.010 0.000 1.137 50 Q HN 0.178 8.422 8.270 -0.043 0.000 0.394 51 P HA 0.060 4.517 4.420 0.062 0.000 0.343 51 P C 0.470 177.855 177.300 0.141 0.000 1.358 51 P CA -0.841 62.309 63.100 0.084 0.000 0.802 51 P CB 0.917 32.672 31.700 0.091 0.000 1.886 52 D N -1.794 118.714 120.400 0.180 0.000 2.103 52 D HA -0.322 4.394 4.640 0.127 0.000 0.190 52 D C -0.370 176.147 176.300 0.363 0.000 0.997 52 D CA 2.949 57.088 54.000 0.231 0.000 0.833 52 D CB -0.067 40.923 40.800 0.318 0.000 0.961 52 D HN 0.300 8.771 8.370 0.168 0.000 0.447 53 Y N -3.863 116.555 120.300 0.197 0.000 2.585 53 Y HA -0.500 4.309 4.550 0.061 -0.222 0.029 53 Y C -2.136 173.871 175.900 0.178 0.000 1.781 53 Y CA -0.178 57.990 58.100 0.113 0.000 1.362 53 Y CB -0.806 37.671 38.460 0.028 0.000 2.012 53 Y HN -0.450 8.056 8.280 0.377 0.000 0.266 54 L N 7.668 128.802 121.223 -0.148 0.000 2.346 54 L HA 0.565 5.002 4.340 -0.075 -0.141 0.276 54 L C -2.376 174.242 176.870 -0.421 0.000 1.006 54 L CA -1.250 53.463 54.840 -0.211 0.000 0.817 54 L CB 3.877 45.830 42.059 -0.178 0.000 1.272 54 L HN -0.229 8.033 8.230 0.053 0.000 0.421 55 N N 4.917 123.451 118.700 -0.278 0.000 2.238 55 N HA 0.922 5.769 4.740 -0.215 -0.236 0.302 55 N C -2.368 173.187 175.510 0.074 0.000 1.072 55 N CA -1.399 51.535 53.050 -0.193 0.000 0.792 55 N CB 4.196 42.514 38.487 -0.282 0.000 1.425 55 N HN 0.386 8.713 8.380 -0.088 0.000 0.478 56 A N 3.679 126.535 122.820 0.060 0.000 2.500 56 A HA 0.383 4.791 4.320 0.146 0.000 0.291 56 A C -2.659 174.951 177.584 0.043 0.000 1.048 56 A CA 0.179 52.272 52.037 0.094 0.000 0.791 56 A CB 2.780 21.833 19.000 0.088 0.000 1.309 56 A HN -0.211 7.951 8.150 0.019 0.000 0.397 57 A N 3.652 126.487 122.820 0.025 0.000 2.246 57 A HA 1.058 5.601 4.320 0.045 -0.196 0.291 57 A C -1.529 176.046 177.584 -0.016 0.000 1.103 57 A CA -1.951 50.099 52.037 0.022 0.000 0.844 57 A CB 2.244 21.265 19.000 0.036 0.000 1.136 57 A HN 0.239 8.393 8.150 0.006 0.000 0.500 58 V N -3.303 116.594 119.914 -0.029 0.000 2.882 58 V HA 0.124 4.189 4.120 -0.092 0.000 0.295 58 V C -2.551 173.464 176.094 -0.133 0.000 1.273 58 V CA -0.364 61.890 62.300 -0.077 0.000 0.949 58 V CB 4.118 35.903 31.823 -0.062 0.000 1.071 58 V HN -0.487 7.702 8.190 -0.003 0.000 0.432 59 A N 8.608 131.310 122.820 -0.198 0.000 2.666 59 A HA 0.201 4.241 4.320 -0.466 0.000 0.312 59 A C -2.095 175.363 177.584 -0.209 0.000 1.471 59 A CA -0.925 50.923 52.037 -0.315 0.000 1.134 59 A CB -0.300 18.494 19.000 -0.343 0.000 1.129 59 A HN 0.276 8.324 8.150 -0.170 0.000 0.539 60 L N 5.038 126.171 121.223 -0.150 0.000 2.312 60 L HA 0.163 4.449 4.340 -0.091 0.000 0.287 60 L C -1.361 175.491 176.870 -0.031 0.000 1.091 60 L CA -0.784 54.014 54.840 -0.070 0.000 0.846 60 L CB 1.139 43.192 42.059 -0.010 0.000 1.219 60 L HN -0.216 7.922 8.230 -0.153 0.000 0.439 61 E N 8.269 128.445 120.200 -0.040 0.000 1.939 61 E HA -0.148 4.313 4.350 -0.027 -0.126 0.259 61 E C -1.075 175.565 176.600 0.067 0.000 1.259 61 E CA 0.296 56.697 56.400 0.002 0.000 0.971 61 E CB -0.527 29.183 29.700 0.017 0.000 1.055 61 E HN -0.038 8.279 8.360 -0.072 0.000 0.420 62 T N 5.792 120.403 114.554 0.096 0.000 2.893 62 T HA 0.401 4.936 4.350 0.110 -0.120 0.291 62 T C -0.682 174.111 174.700 0.156 0.000 1.028 62 T CA -2.640 59.544 62.100 0.140 0.000 0.995 62 T CB 1.714 70.693 68.868 0.184 0.000 1.051 62 T HN -0.015 8.282 8.240 0.095 0.000 0.470 63 S N 5.205 120.981 115.700 0.128 0.000 2.539 63 S HA 0.278 4.815 4.470 0.112 0.000 0.221 63 S C -0.677 174.018 174.600 0.158 0.000 0.987 63 S CA 0.090 58.361 58.200 0.117 0.000 0.929 63 S CB 1.138 64.373 63.200 0.058 0.000 0.832 63 S HN 0.695 9.067 8.310 0.104 0.000 0.492 64 L N 2.828 124.154 121.223 0.171 0.000 2.506 64 L HA -0.143 4.270 4.340 0.121 0.000 0.281 64 L C -1.019 175.954 176.870 0.172 0.000 1.228 64 L CA 0.078 55.011 54.840 0.154 0.000 0.850 64 L CB 0.799 42.949 42.059 0.152 0.000 1.110 64 L HN -0.723 7.546 8.230 0.166 0.060 0.496 65 A N 4.630 127.519 122.820 0.115 0.000 2.598 65 A HA -0.132 4.258 4.320 0.118 0.000 0.239 65 A C -0.818 176.772 177.584 0.010 0.000 1.032 65 A CA -0.254 51.832 52.037 0.082 0.000 0.760 65 A CB -0.653 18.369 19.000 0.037 0.000 0.946 65 A HN 0.360 8.573 8.150 0.106 0.000 0.512 66 P HA -0.217 3.713 4.420 -0.817 0.000 0.221 66 P C 0.506 177.663 177.300 -0.239 0.000 1.145 66 P CA 2.180 65.157 63.100 -0.204 0.000 0.795 66 P CB 0.349 32.140 31.700 0.152 0.000 0.775 67 E N -4.627 115.504 120.200 -0.115 0.000 2.190 67 E HA -0.215 4.067 4.350 -0.114 0.000 0.191 67 E C 1.568 178.084 176.600 -0.141 0.000 0.978 67 E CA 2.433 58.769 56.400 -0.108 0.000 0.839 67 E CB -0.800 28.863 29.700 -0.060 0.000 0.787 67 E HN 0.302 8.580 8.360 -0.057 0.048 0.473 68 E N 0.075 120.187 120.200 -0.146 0.000 2.400 68 E HA -0.103 4.089 4.350 -0.263 0.000 0.195 68 E C 1.668 178.100 176.600 -0.281 0.000 1.012 68 E CA 0.893 57.148 56.400 -0.241 0.000 0.875 68 E CB 0.496 30.073 29.700 -0.205 0.000 0.859 68 E HN -0.891 7.315 8.360 -0.104 0.092 0.498 69 L N 0.958 122.096 121.223 -0.142 0.000 1.955 69 L HA -0.303 4.166 4.340 0.216 0.000 0.213 69 L C 1.082 177.905 176.870 -0.079 0.000 1.072 69 L CA 3.561 58.366 54.840 -0.059 0.000 0.755 69 L CB -0.609 41.262 42.059 -0.315 0.000 0.888 69 L HN 0.291 8.416 8.230 -0.174 0.000 0.432 70 L N -2.905 118.219 121.223 -0.165 0.000 2.079 70 L HA -0.380 3.919 4.340 -0.067 0.000 0.210 70 L C 1.734 178.556 176.870 -0.079 0.000 1.081 70 L CA 2.558 57.337 54.840 -0.102 0.000 0.752 70 L CB -0.374 41.621 42.059 -0.107 0.000 0.896 70 L HN -0.154 7.929 8.230 -0.245 0.000 0.433 71 N N -2.193 116.421 118.700 -0.144 0.000 2.205 71 N HA -0.369 4.309 4.740 -0.104 0.000 0.186 71 N C 2.081 177.503 175.510 -0.147 0.000 1.015 71 N CA 3.189 56.138 53.050 -0.167 0.000 0.862 71 N CB -0.323 38.014 38.487 -0.250 0.000 0.986 71 N HN -0.279 7.898 8.380 -0.179 0.096 0.429 72 H N -0.815 118.233 119.070 -0.037 0.000 2.307 72 H HA -0.110 4.435 4.556 -0.018 0.000 0.303 72 H C 2.007 177.323 175.328 -0.020 0.000 1.073 72 H CA 2.907 58.940 56.048 -0.025 0.000 1.338 72 H CB 0.318 30.066 29.762 -0.025 0.000 1.389 72 H HN -0.206 7.833 8.280 -0.158 0.145 0.503 73 T N -2.208 112.411 114.554 0.107 0.000 2.897 73 T HA -0.457 3.926 4.350 0.055 0.000 0.271 73 T C 1.963 176.683 174.700 0.035 0.000 1.084 73 T CA 3.504 65.636 62.100 0.054 0.000 1.123 73 T CB -0.298 68.589 68.868 0.032 0.000 0.865 73 T HN -0.370 7.933 8.240 0.105 0.000 0.496 74 Q N 0.455 120.269 119.800 0.023 0.000 2.049 74 Q HA -0.121 4.228 4.340 0.015 0.000 0.198 74 Q C 2.586 178.597 176.000 0.019 0.000 0.971 74 Q CA 2.547 58.358 55.803 0.013 0.000 0.833 74 Q CB -0.333 28.404 28.738 -0.003 0.000 0.896 74 Q HN -0.267 7.863 8.270 0.017 0.151 0.434 75 R N -1.045 119.472 120.500 0.027 0.000 2.285 75 R HA -0.158 4.194 4.340 0.020 0.000 0.213 75 R C 2.015 178.333 176.300 0.030 0.000 1.068 75 R CA 2.323 58.441 56.100 0.030 0.000 1.004 75 R CB -1.618 28.709 30.300 0.045 0.000 0.873 75 R HN -0.709 7.502 8.270 0.032 0.078 0.467 76 I N -0.411 120.179 120.570 0.032 0.000 2.439 76 I HA -0.464 3.718 4.170 0.021 0.000 0.251 76 I C 1.620 177.746 176.117 0.015 0.000 1.139 76 I CA 3.622 64.936 61.300 0.023 0.000 1.438 76 I CB -0.510 37.503 38.000 0.022 0.000 1.085 76 I HN -0.454 7.599 8.210 0.038 0.180 0.427 77 E N -0.094 120.115 120.200 0.016 0.000 2.110 77 E HA -0.342 4.015 4.350 0.011 0.000 0.193 77 E C 2.339 178.945 176.600 0.010 0.000 0.988 77 E CA 3.082 59.489 56.400 0.012 0.000 0.804 77 E CB -0.430 29.278 29.700 0.013 0.000 0.745 77 E HN -0.536 7.704 8.360 0.019 0.132 0.458 78 L N -2.064 119.166 121.223 0.012 0.000 2.056 78 L HA -0.319 4.026 4.340 0.009 0.000 0.207 78 L C 2.769 179.644 176.870 0.008 0.000 1.078 78 L CA 2.835 57.681 54.840 0.010 0.000 0.749 78 L CB -0.331 41.734 42.059 0.011 0.000 0.901 78 L HN -0.644 7.485 8.230 0.014 0.110 0.433 79 Q N -1.033 118.773 119.800 0.010 0.000 2.226 79 Q HA -0.333 4.011 4.340 0.006 0.000 0.204 79 Q C 1.853 177.855 176.000 0.003 0.000 0.975 79 Q CA 2.528 58.335 55.803 0.007 0.000 0.866 79 Q CB -0.341 28.401 28.738 0.008 0.000 0.915 79 Q HN -0.288 7.915 8.270 0.012 0.074 0.440 80 Q N -1.641 118.161 119.800 0.003 0.000 2.435 80 Q HA -0.105 4.234 4.340 -0.002 0.000 0.207 80 Q C 0.764 176.764 176.000 -0.000 0.000 0.956 80 Q CA -0.206 55.597 55.803 -0.000 0.000 0.917 80 Q CB 0.385 29.123 28.738 -0.000 0.000 0.997 80 Q HN -0.457 7.688 8.270 0.006 0.128 0.497 81 G N 0.487 109.288 108.800 0.002 0.000 2.291 81 G HA2 -0.359 3.661 3.960 0.003 0.000 0.271 81 G HA3 -0.359 3.601 3.960 0.001 0.000 0.271 81 G C -0.225 174.677 174.900 0.003 0.000 1.099 81 G CA 0.146 45.248 45.100 0.002 0.000 0.919 81 G HN -0.523 7.573 8.290 0.004 0.196 0.496 82 R N -1.839 118.664 120.500 0.004 0.000 2.827 82 R HA -0.079 4.263 4.340 0.004 0.000 0.269 82 R C -1.014 175.289 176.300 0.005 0.000 1.048 82 R CA -0.032 56.071 56.100 0.005 0.000 1.173 82 R CB 0.729 31.033 30.300 0.006 0.000 1.070 82 R HN -0.575 7.698 8.270 0.005 0.000 0.498 83 V N 2.492 122.409 119.914 0.005 0.000 2.204 83 V HA 0.132 4.255 4.120 0.005 0.000 0.264 83 V C -1.000 175.098 176.094 0.006 0.000 1.106 83 V CA -1.987 60.316 62.300 0.005 0.000 0.947 83 V CB -1.073 30.753 31.823 0.005 0.000 1.164 83 V HN 0.133 8.325 8.190 0.004 0.000 0.461 84 R N 5.736 126.240 120.500 0.007 0.000 2.640 84 R HA -0.175 4.171 4.340 0.010 0.000 0.270 84 R C -0.176 176.130 176.300 0.009 0.000 1.024 84 R CA 1.042 57.148 56.100 0.009 0.000 1.085 84 R CB -0.032 30.274 30.300 0.010 0.000 0.963 84 R HN 0.100 8.374 8.270 0.007 0.000 0.426 85 K N 0.529 120.936 120.400 0.011 0.000 2.623 85 K HA -0.027 4.299 4.320 0.010 0.000 0.162 85 K C -1.054 175.554 176.600 0.013 0.000 2.231 85 K CA 0.229 56.523 56.287 0.011 0.000 1.364 85 K CB 0.207 32.712 32.500 0.009 0.000 2.500 85 K HN 0.299 8.557 8.250 0.013 0.000 0.525 86 A N 1.555 124.384 122.820 0.016 0.000 3.422 86 A HA 0.205 4.538 4.320 0.022 0.000 0.271 86 A C -2.851 174.750 177.584 0.028 0.000 1.104 86 A CA 0.504 52.553 52.037 0.021 0.000 0.899 86 A CB 0.668 19.680 19.000 0.019 0.000 1.309 86 A HN 0.094 8.252 8.150 0.014 0.000 0.580 87 E N 0.503 120.722 120.200 0.032 0.000 2.102 87 E HA 0.286 4.661 4.350 0.042 0.000 0.263 87 E C -1.114 175.525 176.600 0.065 0.000 0.894 87 E CA -1.053 55.372 56.400 0.042 0.000 0.746 87 E CB 0.766 30.483 29.700 0.029 0.000 1.129 87 E HN -0.020 8.357 8.360 0.028 0.000 0.416 88 R N 7.157 127.717 120.500 0.100 0.000 2.444 88 R HA 0.103 4.502 4.340 0.099 0.000 0.201 88 R C -0.953 175.498 176.300 0.252 0.000 0.861 88 R CA 0.924 57.099 56.100 0.125 0.000 1.034 88 R CB 0.643 30.991 30.300 0.081 0.000 1.347 88 R HN 0.467 8.802 8.270 0.108 0.000 0.659 89 W N -2.006 119.295 121.300 0.001 0.000 3.377 89 W HA 0.117 4.786 4.660 0.015 0.000 0.207 89 W C -1.319 175.191 176.519 -0.014 0.000 1.070 89 W CA 0.418 57.767 57.345 0.007 0.000 1.436 89 W CB 2.205 31.676 29.460 0.019 0.000 0.721 89 W HN -0.073 8.269 8.180 0.269 0.000 0.816 90 G N -1.025 107.831 108.800 0.094 0.000 2.412 90 G HA2 0.237 4.147 3.960 -0.206 0.000 0.318 90 G HA3 0.237 4.140 3.960 -0.095 0.000 0.318 90 G C -1.801 173.032 174.900 -0.111 0.000 1.146 90 G CA -1.787 43.255 45.100 -0.096 0.000 0.882 90 G HN -0.518 7.869 8.290 0.161 0.000 0.501 91 P HA -0.353 4.192 4.420 -0.083 -0.175 0.214 91 P C 1.084 178.334 177.300 -0.083 0.000 1.163 91 P CA 1.726 64.738 63.100 -0.145 0.000 0.889 91 P CB 0.462 32.031 31.700 -0.219 0.000 0.790 92 R N -7.024 113.413 120.500 -0.106 0.000 3.594 92 R HA -0.380 3.926 4.340 -0.057 0.000 0.317 92 R C -0.497 175.787 176.300 -0.027 0.000 0.681 92 R CA 3.407 59.476 56.100 -0.052 0.000 1.656 92 R CB -1.345 28.942 30.300 -0.022 0.000 1.720 92 R HN 0.508 8.775 8.270 -0.179 -0.104 0.480 93 T N -3.288 111.257 114.554 -0.016 0.000 3.827 93 T HA 0.011 4.366 4.350 0.008 0.000 0.307 93 T C -2.391 172.317 174.700 0.013 0.000 0.930 93 T CA 1.300 63.401 62.100 0.002 0.000 1.171 93 T CB 3.133 72.003 68.868 0.003 0.000 1.092 93 T HN -0.042 8.057 8.240 -0.023 0.128 0.489 94 L N 1.204 122.433 121.223 0.010 0.000 2.751 94 L HA 0.364 5.020 4.340 0.029 -0.298 0.261 94 L C -2.800 174.080 176.870 0.016 0.000 0.927 94 L CA 0.444 55.295 54.840 0.018 0.000 0.968 94 L CB 3.015 45.081 42.059 0.013 0.000 1.432 94 L HN -0.611 7.621 8.230 0.004 0.000 0.439 95 D N 4.491 124.904 120.400 0.022 0.000 2.470 95 D HA 0.338 5.321 4.640 0.021 -0.330 0.233 95 D C -1.557 174.762 176.300 0.032 0.000 1.372 95 D CA -0.592 53.421 54.000 0.023 0.000 0.994 95 D CB 1.775 42.584 40.800 0.015 0.000 1.377 95 D HN -0.199 8.190 8.370 0.031 0.000 0.586 96 L N -2.313 118.929 121.223 0.032 0.000 2.324 96 L HA 0.699 5.337 4.340 0.049 -0.269 0.274 96 L C -1.875 175.017 176.870 0.037 0.000 1.012 96 L CA -1.489 53.374 54.840 0.039 0.000 0.859 96 L CB 1.127 43.206 42.059 0.032 0.000 1.224 96 L HN -0.428 8.001 8.230 0.027 -0.183 0.429 97 D N 2.650 123.079 120.400 0.048 0.000 2.340 97 D HA 0.371 5.025 4.640 0.024 0.000 0.243 97 D C -0.923 175.410 176.300 0.055 0.000 0.988 97 D CA -1.523 52.502 54.000 0.042 0.000 0.959 97 D CB 4.048 44.876 40.800 0.046 0.000 1.226 97 D HN -0.435 7.971 8.370 0.060 0.000 0.509 98 I N 0.999 121.591 120.570 0.035 0.000 2.406 98 I HA -0.104 4.117 4.170 0.085 0.000 0.293 98 I C 0.260 176.432 176.117 0.091 0.000 1.101 98 I CA -0.412 60.919 61.300 0.053 0.000 1.334 98 I CB -2.211 35.771 38.000 -0.031 0.000 1.421 98 I HN 0.574 8.791 8.210 0.012 0.000 0.513 99 M N 6.666 126.345 119.600 0.132 0.000 2.476 99 M HA -0.011 4.546 4.480 0.128 0.000 0.262 99 M C -0.477 175.876 176.300 0.088 0.000 1.111 99 M CA -0.486 54.892 55.300 0.131 0.000 1.127 99 M CB 0.224 32.917 32.600 0.155 0.000 1.376 99 M HN 0.443 8.828 8.290 0.158 0.000 0.465 100 L N -3.027 118.261 121.223 0.108 0.000 2.565 100 L HA 0.187 4.442 4.340 -0.141 0.000 0.261 100 L C -2.926 174.075 176.870 0.219 0.000 0.932 100 L CA 0.103 54.913 54.840 -0.050 0.000 0.878 100 L CB 4.036 45.843 42.059 -0.421 0.000 1.333 100 L HN -0.585 7.736 8.230 0.204 0.031 0.409 101 F N 3.326 123.223 119.950 -0.088 0.000 2.831 101 F HA 0.740 5.585 4.527 0.197 -0.200 0.346 101 F C 0.118 175.897 175.800 -0.035 0.000 1.224 101 F CA -1.181 56.840 58.000 0.036 0.000 1.048 101 F CB 2.221 41.235 39.000 0.024 0.000 1.339 101 F HN 0.241 8.522 8.300 -0.033 0.000 0.514 102 G N 8.510 117.116 108.800 -0.323 0.000 2.672 102 G HA2 -0.463 3.371 3.960 -0.210 0.000 0.332 102 G HA3 -0.463 3.358 3.960 -0.404 -0.103 0.332 102 G C -1.553 173.215 174.900 -0.220 0.000 1.213 102 G CA 1.649 46.570 45.100 -0.299 0.000 0.980 102 G HN -0.045 8.141 8.290 -0.174 0.000 0.548 103 N N -0.229 118.368 118.700 -0.172 0.000 2.028 103 N HA -0.080 4.530 4.740 -0.218 0.000 0.230 103 N C -0.591 174.865 175.510 -0.090 0.000 1.354 103 N CA -0.384 52.580 53.050 -0.144 0.000 0.855 103 N CB 1.178 39.611 38.487 -0.089 0.000 1.111 103 N HN 0.170 8.452 8.380 -0.163 0.000 0.480 104 E N 1.988 122.160 120.200 -0.047 0.000 2.418 104 E HA -0.127 4.221 4.350 -0.004 0.000 0.261 104 E C -0.864 175.740 176.600 0.006 0.000 1.070 104 E CA -0.018 56.384 56.400 0.004 0.000 0.931 104 E CB 0.797 30.528 29.700 0.052 0.000 0.954 104 E HN -0.045 8.278 8.360 -0.062 0.000 0.439 105 V N 1.973 121.892 119.914 0.009 0.000 2.380 105 V HA 0.282 4.396 4.120 -0.009 0.000 0.272 105 V C -1.941 174.156 176.094 0.005 0.000 1.011 105 V CA -1.086 61.214 62.300 -0.001 0.000 0.826 105 V CB 0.172 31.994 31.823 -0.002 0.000 1.040 105 V HN 0.218 8.416 8.190 0.013 0.000 0.441 106 I N 6.464 127.038 120.570 0.006 0.000 2.569 106 I HA 0.126 4.296 4.170 0.000 0.000 0.296 106 I C -2.008 174.097 176.117 -0.020 0.000 1.028 106 I CA -0.950 60.349 61.300 -0.001 0.000 1.082 106 I CB 3.125 41.131 38.000 0.010 0.000 1.264 106 I HN -0.137 8.081 8.210 0.014 0.000 0.429 107 N N 4.108 122.796 118.700 -0.021 0.000 2.577 107 N HA 0.389 5.107 4.740 -0.037 0.000 0.275 107 N C -0.754 174.745 175.510 -0.020 0.000 1.091 107 N CA -0.762 52.270 53.050 -0.029 0.000 0.843 107 N CB 2.600 41.065 38.487 -0.037 0.000 1.295 107 N HN 0.180 8.552 8.380 -0.013 0.000 0.530 108 T N 3.371 117.911 114.554 -0.023 0.000 3.440 108 T HA 0.142 4.484 4.350 -0.014 0.000 0.308 108 T C 0.372 175.065 174.700 -0.012 0.000 1.249 108 T CA -0.979 61.110 62.100 -0.019 0.000 0.903 108 T CB 0.764 69.615 68.868 -0.028 0.000 2.240 108 T HN -0.133 8.089 8.240 -0.030 0.000 0.546 109 E N -0.891 119.302 120.200 -0.013 0.000 2.102 109 E HA -0.051 4.300 4.350 0.002 0.000 0.190 109 E C 0.904 177.503 176.600 -0.002 0.000 0.971 109 E CA 1.931 58.328 56.400 -0.005 0.000 0.821 109 E CB -0.288 29.409 29.700 -0.006 0.000 0.777 109 E HN 0.288 8.636 8.360 -0.019 0.000 0.460 110 R N -3.516 116.976 120.500 -0.013 0.000 2.191 110 R HA 0.206 4.549 4.340 0.006 0.000 0.196 110 R C -0.219 176.072 176.300 -0.015 0.000 0.991 110 R CA 0.111 56.205 56.100 -0.010 0.000 1.075 110 R CB 1.446 31.733 30.300 -0.023 0.000 1.040 110 R HN -0.471 7.785 8.270 -0.024 0.000 0.526 111 L N 0.815 122.017 121.223 -0.036 0.000 2.426 111 L HA 0.081 4.388 4.340 -0.055 0.000 0.271 111 L C -1.724 175.128 176.870 -0.031 0.000 1.169 111 L CA 0.815 55.624 54.840 -0.051 0.000 0.836 111 L CB 0.977 42.988 42.059 -0.080 0.000 1.112 111 L HN -0.613 7.592 8.230 -0.042 0.000 0.465 112 T N 0.975 115.515 114.554 -0.025 0.000 3.066 112 T HA 0.128 4.455 4.350 -0.039 0.000 0.318 112 T C -0.911 173.774 174.700 -0.024 0.000 0.979 112 T CA -1.619 60.472 62.100 -0.015 0.000 1.025 112 T CB 1.190 70.092 68.868 0.056 0.000 1.002 112 T HN -0.351 7.869 8.240 -0.033 0.000 0.453 113 V N 5.102 124.985 119.914 -0.050 0.000 3.484 113 V HA -0.116 3.997 4.120 -0.012 0.000 0.304 113 V C -1.784 174.283 176.094 -0.045 0.000 1.116 113 V CA -0.991 61.286 62.300 -0.038 0.000 1.187 113 V CB 0.729 32.527 31.823 -0.041 0.000 1.062 113 V HN -0.378 7.775 8.190 -0.061 0.000 0.489 114 P HA -0.302 4.313 4.420 0.036 -0.173 0.172 114 P C -1.251 176.057 177.300 0.013 0.000 0.821 114 P CA 0.842 63.939 63.100 -0.004 0.000 1.150 114 P CB -1.643 29.995 31.700 -0.103 0.000 1.263 115 H N 5.668 124.698 119.070 -0.068 0.000 3.004 115 H HA -0.202 4.110 4.556 -0.407 0.000 0.316 115 H C 0.075 175.390 175.328 -0.022 0.000 1.014 115 H CA 0.181 56.133 56.048 -0.160 0.000 1.454 115 H CB 1.116 30.854 29.762 -0.041 0.000 1.472 115 H HN -0.269 8.106 8.280 0.159 0.000 0.571 116 Y N 4.077 124.464 120.300 0.145 0.000 2.525 116 Y HA -0.123 4.533 4.550 0.177 0.000 0.337 116 Y C -1.474 174.631 175.900 0.342 0.000 1.248 116 Y CA -2.598 55.616 58.100 0.189 0.000 1.882 116 Y CB -2.389 36.109 38.460 0.064 0.000 1.811 116 Y HN 0.312 7.817 8.280 -1.292 0.000 0.434 117 D N 4.079 124.770 120.400 0.485 0.000 1.689 117 D HA 0.016 4.951 4.640 0.294 -0.119 0.643 117 D C 0.903 177.297 176.300 0.156 0.000 0.804 117 D CA 1.339 55.533 54.000 0.324 0.000 1.125 117 D CB 1.160 42.138 40.800 0.297 0.000 1.506 117 D HN 0.164 8.734 8.370 0.381 0.028 0.499 118 M N -0.082 119.610 119.600 0.154 0.000 2.213 118 M HA -0.140 4.353 4.480 0.022 0.000 0.263 118 M C 1.899 178.231 176.300 0.053 0.000 1.062 118 M CA 2.501 57.852 55.300 0.085 0.000 1.105 118 M CB -0.637 32.039 32.600 0.127 0.000 1.385 118 M HN -0.643 7.779 8.290 0.221 0.000 0.417 119 K N -3.618 116.826 120.400 0.075 0.000 2.439 119 K HA -0.219 4.076 4.320 -0.042 0.000 0.197 119 K C -0.165 176.409 176.600 -0.043 0.000 1.041 119 K CA 2.210 58.495 56.287 -0.004 0.000 0.970 119 K CB -0.866 31.632 32.500 -0.003 0.000 0.773 119 K HN 0.382 8.690 8.250 0.132 0.021 0.479 120 N N -4.331 114.391 118.700 0.037 0.000 2.235 120 N HA 0.162 4.947 4.740 0.074 0.000 0.231 120 N C -0.820 174.794 175.510 0.174 0.000 1.177 120 N CA -1.098 52.009 53.050 0.095 0.000 0.874 120 N CB 1.202 39.751 38.487 0.102 0.000 1.097 120 N HN -0.353 7.876 8.380 0.065 0.190 0.518 121 R N -0.117 120.444 120.500 0.102 0.000 2.939 121 R HA 0.311 4.623 4.340 -0.047 0.000 0.254 121 R C -0.765 175.629 176.300 0.156 0.000 1.123 121 R CA -1.097 54.968 56.100 -0.058 0.000 1.020 121 R CB 2.157 32.161 30.300 -0.494 0.000 1.206 121 R HN -0.618 7.499 8.270 0.039 0.177 0.491 122 G N -1.080 107.670 108.800 -0.084 0.000 2.724 122 G HA2 0.262 4.566 3.960 0.573 0.000 0.205 122 G HA3 0.262 4.265 3.960 0.071 0.000 0.205 122 G C 0.152 175.122 174.900 0.117 0.000 1.112 122 G CA 0.256 45.467 45.100 0.185 0.000 0.793 122 G HN 0.529 8.546 8.290 -0.456 0.000 0.526 123 F N -4.558 115.497 119.950 0.174 0.000 2.725 123 F HA -0.032 4.564 4.527 0.115 0.000 0.303 123 F C -1.325 174.538 175.800 0.105 0.000 1.167 123 F CA -0.752 57.322 58.000 0.122 0.000 1.403 123 F CB -1.662 37.395 39.000 0.095 0.000 1.077 123 F HN -0.270 7.564 8.300 -0.776 0.000 0.537 124 M N -4.291 115.399 119.600 0.150 0.000 2.279 124 M HA 0.062 4.686 4.480 0.240 0.000 0.278 124 M C -0.024 176.361 176.300 0.142 0.000 1.142 124 M CA 1.006 56.410 55.300 0.172 0.000 1.119 124 M CB 1.506 34.175 32.600 0.116 0.000 1.741 124 M HN -0.356 7.827 8.290 0.017 0.117 0.601 125 L N -1.428 119.873 121.223 0.131 0.000 2.269 125 L HA -0.024 4.395 4.340 0.132 0.000 0.200 125 L C 1.174 178.182 176.870 0.230 0.000 1.069 125 L CA 1.813 56.734 54.840 0.135 0.000 0.804 125 L CB 0.459 42.535 42.059 0.028 0.000 0.987 125 L HN -0.639 7.665 8.230 0.124 0.000 0.468 126 W N 0.980 122.288 121.300 0.013 0.000 2.333 126 W HA -0.243 4.418 4.660 0.001 0.000 0.316 126 W C -1.373 175.137 176.519 -0.015 0.000 1.215 126 W CA 4.062 61.401 57.345 -0.011 0.000 1.278 126 W CB -1.921 27.499 29.460 -0.067 0.000 1.154 126 W HN -0.489 7.904 8.180 0.356 0.000 0.486 127 P HA -0.215 3.792 4.420 -0.688 0.000 0.215 127 P C 1.429 178.650 177.300 -0.132 0.000 1.157 127 P CA 2.213 65.098 63.100 -0.359 0.000 0.863 127 P CB -0.217 31.388 31.700 -0.158 0.000 0.787 128 L N -3.146 118.103 121.223 0.043 0.000 2.187 128 L HA -0.257 4.163 4.340 0.133 0.000 0.213 128 L C 1.636 178.603 176.870 0.160 0.000 1.100 128 L CA 2.838 57.769 54.840 0.151 0.000 0.765 128 L CB -0.584 41.620 42.059 0.243 0.000 0.904 128 L HN -0.548 7.728 8.230 0.078 0.000 0.437 129 F N -1.754 118.173 119.950 -0.038 0.000 2.333 129 F HA -0.364 4.188 4.527 0.042 0.000 0.300 129 F C 0.686 176.428 175.800 -0.096 0.000 1.083 129 F CA 2.628 60.610 58.000 -0.031 0.000 1.395 129 F CB 0.111 39.113 39.000 0.004 0.000 1.056 129 F HN -0.373 7.911 8.300 0.211 0.142 0.529 130 E N -2.451 117.620 120.200 -0.215 0.000 2.099 130 E HA -0.110 4.015 4.350 -0.374 0.000 0.191 130 E C 1.979 178.466 176.600 -0.189 0.000 0.962 130 E CA 1.278 57.513 56.400 -0.275 0.000 0.826 130 E CB 0.912 30.463 29.700 -0.250 0.000 0.788 130 E HN -0.290 7.807 8.360 -0.146 0.175 0.461 131 I N -6.345 114.150 120.570 -0.125 0.000 2.226 131 I HA -0.324 3.761 4.170 -0.142 0.000 0.245 131 I C -0.592 175.451 176.117 -0.124 0.000 1.100 131 I CA 2.313 63.536 61.300 -0.129 0.000 1.374 131 I CB 0.751 38.670 38.000 -0.134 0.000 1.057 131 I HN -0.933 7.216 8.210 -0.101 0.000 0.413 132 A N -3.329 119.480 122.820 -0.020 0.000 2.333 132 A HA 0.272 4.580 4.320 -0.020 0.000 0.298 132 A C -2.886 174.827 177.584 0.214 0.000 1.239 132 A CA -0.580 51.498 52.037 0.068 0.000 0.896 132 A CB 0.452 19.477 19.000 0.042 0.000 1.421 132 A HN -0.387 7.784 8.150 0.035 0.000 0.433 133 P HA -0.094 4.465 4.420 0.232 0.000 0.249 133 P C -0.837 176.541 177.300 0.131 0.000 1.229 133 P CA 0.882 64.063 63.100 0.135 0.000 0.788 133 P CB 0.470 32.168 31.700 -0.003 0.000 1.072 134 E N -4.739 115.522 120.200 0.102 0.000 2.403 134 E HA -0.097 4.301 4.350 0.079 0.000 0.188 134 E C -1.175 175.478 176.600 0.088 0.000 1.056 134 E CA -1.148 55.301 56.400 0.082 0.000 0.892 134 E CB -1.411 28.319 29.700 0.051 0.000 1.049 134 E HN -0.159 8.169 8.360 0.100 0.092 0.465 135 L N 1.370 122.650 121.223 0.094 0.000 2.331 135 L HA 0.074 4.429 4.340 0.025 0.000 0.278 135 L C -1.872 175.022 176.870 0.040 0.000 1.106 135 L CA 0.316 55.157 54.840 0.003 0.000 0.824 135 L CB 0.752 42.637 42.059 -0.290 0.000 1.142 135 L HN -0.883 7.318 8.230 0.123 0.102 0.443 136 V N 4.055 123.991 119.914 0.037 0.000 2.735 136 V HA 0.352 4.800 4.120 0.234 -0.187 0.310 136 V C -1.540 174.643 176.094 0.148 0.000 1.061 136 V CA -2.538 59.845 62.300 0.138 0.000 0.913 136 V CB 3.047 34.922 31.823 0.086 0.000 1.005 136 V HN -0.127 8.055 8.190 -0.013 0.000 0.428 137 F N 5.959 125.880 119.950 -0.049 0.000 2.378 137 F HA 0.342 4.840 4.527 -0.047 0.000 0.319 137 F C -0.257 175.527 175.800 -0.026 0.000 1.155 137 F CA -1.809 56.167 58.000 -0.040 0.000 1.157 137 F CB -1.474 37.507 39.000 -0.032 0.000 1.252 137 F HN 0.391 8.926 8.300 0.578 0.112 0.550 138 P HA -0.164 4.281 4.420 0.041 0.000 0.216 138 P C -0.760 176.587 177.300 0.079 0.000 1.150 138 P CA 1.713 64.858 63.100 0.074 0.000 0.843 138 P CB 0.113 31.846 31.700 0.055 0.000 0.787 139 D N -3.030 117.433 120.400 0.105 0.000 2.085 139 D HA -0.097 4.569 4.640 0.044 0.000 0.199 139 D C 0.728 177.055 176.300 0.044 0.000 0.981 139 D CA 0.757 54.793 54.000 0.060 0.000 0.834 139 D CB 0.276 41.103 40.800 0.045 0.000 0.992 139 D HN -0.112 8.339 8.370 0.161 0.016 0.457 140 G N -0.329 108.502 108.800 0.051 0.000 3.268 140 G HA2 -0.121 3.867 3.960 0.045 0.000 0.233 140 G HA3 -0.121 3.845 3.960 0.009 0.000 0.233 140 G C -2.314 172.581 174.900 -0.008 0.000 3.485 140 G CA -0.219 44.897 45.100 0.027 0.000 0.718 140 G HN -0.192 8.146 8.290 0.080 0.000 0.371 141 E N -2.272 117.927 120.200 -0.001 0.000 2.321 141 E HA 0.235 4.540 4.350 -0.075 0.000 0.278 141 E C -1.740 174.859 176.600 -0.002 0.000 0.902 141 E CA -1.799 54.542 56.400 -0.098 0.000 0.758 141 E CB 2.602 32.123 29.700 -0.299 0.000 1.213 141 E HN -0.360 8.055 8.360 0.092 0.000 0.426 142 M N 1.470 121.075 119.600 0.008 0.000 2.598 142 M HA 0.703 5.485 4.480 0.194 -0.186 0.317 142 M C 1.244 177.585 176.300 0.068 0.000 1.201 142 M CA -1.273 54.084 55.300 0.096 0.000 0.971 142 M CB 3.755 36.410 32.600 0.092 0.000 1.657 142 M HN 0.439 8.713 8.290 -0.027 0.000 0.470 143 L N -1.052 120.252 121.223 0.136 0.000 2.265 143 L HA -0.113 4.270 4.340 0.071 0.000 0.215 143 L C 1.517 178.451 176.870 0.106 0.000 1.117 143 L CA 3.436 58.347 54.840 0.118 0.000 0.782 143 L CB -0.602 41.549 42.059 0.153 0.000 0.914 143 L HN 0.276 8.600 8.230 0.156 0.000 0.441 144 R N -1.147 119.449 120.500 0.160 0.000 2.090 144 R HA -0.273 4.157 4.340 0.149 0.000 0.228 144 R C 1.656 177.997 176.300 0.067 0.000 1.110 144 R CA 2.847 59.052 56.100 0.175 0.000 0.973 144 R CB -0.838 29.637 30.300 0.292 0.000 0.869 144 R HN -0.042 8.280 8.270 0.165 0.047 0.440 145 Q N -1.240 118.585 119.800 0.041 0.000 2.167 145 Q HA -0.182 4.179 4.340 0.035 0.000 0.202 145 Q C 2.288 178.263 176.000 -0.041 0.000 0.970 145 Q CA 2.777 58.578 55.803 -0.004 0.000 0.855 145 Q CB -0.421 28.283 28.738 -0.056 0.000 0.911 145 Q HN -0.718 7.470 8.270 0.050 0.112 0.438 146 I N -0.628 119.892 120.570 -0.083 0.000 2.394 146 I HA -0.400 3.676 4.170 -0.156 0.000 0.251 146 I C 1.850 177.859 176.117 -0.181 0.000 1.136 146 I CA 3.576 64.790 61.300 -0.143 0.000 1.425 146 I CB -0.101 37.807 38.000 -0.153 0.000 1.079 146 I HN 0.068 8.128 8.210 -0.059 0.115 0.425 147 L N -3.405 117.723 121.223 -0.159 0.000 2.478 147 L HA -0.406 3.719 4.340 -0.358 0.000 0.223 147 L C 0.471 177.236 176.870 -0.175 0.000 1.140 147 L CA 1.336 56.032 54.840 -0.240 0.000 0.842 147 L CB -0.675 41.215 42.059 -0.283 0.000 0.953 147 L HN -0.384 7.670 8.230 -0.100 0.116 0.452 148 H N -1.272 117.696 119.070 -0.170 0.000 2.470 148 H HA -0.078 4.410 4.556 -0.114 0.000 0.289 148 H C 0.951 176.207 175.328 -0.119 0.000 1.033 148 H CA 3.055 59.031 56.048 -0.121 0.000 1.331 148 H CB 0.424 30.137 29.762 -0.082 0.000 1.414 148 H HN -0.686 7.401 8.280 0.023 0.207 0.545 149 T N -0.428 114.151 114.554 0.042 0.000 3.039 149 T HA -0.088 4.303 4.350 0.068 0.000 0.250 149 T C 1.077 175.710 174.700 -0.110 0.000 1.052 149 T CA 1.880 63.976 62.100 -0.006 0.000 1.125 149 T CB 1.168 70.011 68.868 -0.041 0.000 0.908 149 T HN -0.585 7.516 8.240 -0.018 0.129 0.473 150 R N 0.165 120.497 120.500 -0.279 0.000 2.052 150 R HA -0.007 4.108 4.340 -0.376 0.000 0.224 150 R C -0.510 175.631 176.300 -0.266 0.000 1.149 150 R CA -0.368 55.378 56.100 -0.589 0.000 0.962 150 R CB 0.295 29.764 30.300 -1.385 0.000 0.856 150 R HN -0.348 7.757 8.270 -0.275 0.000 0.433 151 A N -0.569 122.099 122.820 -0.254 0.000 2.648 151 A HA -0.272 4.021 4.320 -0.165 -0.072 0.297 151 A C -1.467 176.235 177.584 0.196 0.000 1.467 151 A CA 0.353 52.346 52.037 -0.073 0.000 0.731 151 A CB -1.729 17.237 19.000 -0.057 0.000 1.085 151 A HN -0.344 7.468 8.150 -0.354 0.125 0.437 152 F N -2.102 117.717 119.950 -0.218 0.000 2.329 152 F HA 0.126 4.514 4.527 -0.232 0.000 0.362 152 F C -1.157 174.346 175.800 -0.494 0.000 1.113 152 F CA -2.956 54.891 58.000 -0.255 0.000 1.212 152 F CB -2.202 36.703 39.000 -0.157 0.000 1.509 152 F HN -0.087 8.173 8.300 -0.067 0.000 0.546 153 D N 0.852 120.996 120.400 -0.426 0.000 2.340 153 D HA 0.043 3.665 4.640 -1.697 0.000 0.217 153 D C -0.107 175.740 176.300 -0.755 0.000 1.081 153 D CA 0.178 53.631 54.000 -0.912 0.000 0.842 153 D CB 0.516 40.967 40.800 -0.582 0.000 0.934 153 D HN -0.008 8.213 8.370 -0.249 0.000 0.511 154 K N -1.693 118.435 120.400 -0.453 0.000 3.045 154 K HA -0.096 4.112 4.320 -0.188 0.000 0.355 154 K C -0.070 176.455 176.600 -0.125 0.000 1.033 154 K CA -0.278 55.864 56.287 -0.241 0.000 1.253 154 K CB 0.255 32.646 32.500 -0.183 0.000 1.198 154 K HN -0.722 7.224 8.250 -0.369 0.083 0.487 155 L N -4.063 117.193 121.223 0.055 0.000 3.601 155 L HA -0.329 4.156 4.340 0.243 0.000 0.469 155 L C -1.253 175.862 176.870 0.408 0.000 1.294 155 L CA -0.010 54.991 54.840 0.269 0.000 0.829 155 L CB -2.814 39.489 42.059 0.407 0.000 1.628 155 L HN 0.273 8.512 8.230 0.015 0.000 0.868 156 N N -2.715 116.130 118.700 0.241 0.000 2.359 156 N HA -0.249 4.647 4.740 0.259 0.000 0.261 156 N C 0.530 176.201 175.510 0.269 0.000 1.267 156 N CA 0.216 53.402 53.050 0.228 0.000 0.864 156 N CB 0.141 38.690 38.487 0.104 0.000 1.063 156 N HN -0.346 8.122 8.380 0.146 0.000 0.474 157 K N 3.282 123.833 120.400 0.252 0.000 2.508 157 K HA -0.397 4.122 4.320 0.155 -0.106 0.273 157 K C 0.499 177.218 176.600 0.198 0.000 0.964 157 K CA 0.714 57.099 56.287 0.162 0.000 0.948 157 K CB 0.432 32.961 32.500 0.048 0.000 0.917 157 K HN 0.081 8.488 8.250 0.261 0.000 0.512 158 W N 0.000 121.317 121.300 0.028 0.000 2.388 158 W HA 0.000 4.636 4.660 -0.039 0.000 0.303 158 W CA 0.000 57.300 57.345 -0.075 0.000 1.226 158 W CB 0.000 29.291 29.460 -0.282 0.000 1.126 158 W HN 0.000 8.441 8.180 0.435 0.000 0.535