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 3cv3_1_A DATA FIRST_RESID 14 DATA SEQUENCE RPCYLVLSSH DFRTPRRANI HFITDQLALR GTTRFFSLRY SRLSRMKGDM DATA SEQUENCE RLPLDDTANT VVSHNGVDCY LWRTTVHPFN TRRSWLRPVE DAMFRWYAAH DATA SEQUENCE PPKQLLDWMR ESDVIVFESG IAVAFIELAK RVNPAAKLVY RASAGLSTIN DATA SEQUENCE VASYIEREFD RVAPTLDVIA LVSPAMAAEV VSRDNVFHVG HGVDHNLDQL DATA SEQUENCE GDPSPYAEGI HAVAVGSMLF DPEFFVVASK AFPQVTFHVI GSGMGRHPGY DATA SEQUENCE GDNVIVYGEM KHAQTIGYIK HARFGIAPYA SEQVPVYLAD SSMKLLQYDF DATA SEQUENCE FGLPAVCPNA VVGPYKSRFG YTPGNADSVI AAITQALEAP RVRYRQCLNW DATA SEQUENCE SDTTDRVLDP RAYPETRLY 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 14 R HA 0.000 nan 4.340 nan 0.000 0.208 14 R C 0.000 176.236 176.300 -0.106 0.000 0.893 14 R CA 0.000 56.075 56.100 -0.041 0.000 0.921 14 R CB 0.000 30.284 30.300 -0.026 0.000 0.687 15 P HA 0.189 nan 4.420 nan 0.000 0.274 15 P C -0.589 176.363 177.300 -0.581 0.000 1.231 15 P CA -0.624 62.248 63.100 -0.380 0.000 0.790 15 P CB 0.690 32.107 31.700 -0.472 0.000 0.951 16 C N 3.340 122.294 119.300 -0.577 0.000 2.351 16 C HA 0.587 5.047 4.460 0.001 0.000 0.326 16 C C -1.136 173.492 174.990 -0.602 0.000 1.272 16 C CA -0.462 58.269 59.018 -0.480 0.000 1.650 16 C CB -1.202 26.374 27.740 -0.273 0.000 2.257 16 C HN 0.481 nan 8.230 nan 0.000 0.505 17 Y N 5.082 125.269 120.300 -0.189 0.000 2.393 17 Y HA 0.679 5.230 4.550 0.001 0.000 0.341 17 Y C -0.119 175.610 175.900 -0.285 0.000 0.988 17 Y CA -0.863 57.114 58.100 -0.206 0.000 1.078 17 Y CB 1.467 39.814 38.460 -0.188 0.000 1.203 17 Y HN 0.638 nan 8.280 nan 0.000 0.453 18 L N 3.896 125.036 121.223 -0.138 0.000 2.341 18 L HA 0.804 5.144 4.340 0.001 0.000 0.278 18 L C -1.463 175.231 176.870 -0.293 0.000 1.005 18 L CA -0.790 53.903 54.840 -0.245 0.000 0.818 18 L CB 1.551 43.470 42.059 -0.234 0.000 1.259 18 L HN 0.422 nan 8.230 nan 0.000 0.418 19 V N 6.006 125.698 119.914 -0.369 0.000 2.459 19 V HA 0.521 4.641 4.120 0.001 0.000 0.295 19 V C -0.514 175.234 176.094 -0.577 0.000 1.029 19 V CA -0.536 61.438 62.300 -0.543 0.000 0.874 19 V CB 1.547 32.920 31.823 -0.750 0.000 0.985 19 V HN 0.556 nan 8.190 nan 0.000 0.438 20 L N 4.180 125.132 121.223 -0.451 0.000 2.313 20 L HA 0.820 5.160 4.340 0.001 0.000 0.283 20 L C -0.007 176.789 176.870 -0.123 0.000 1.013 20 L CA 0.554 55.278 54.840 -0.193 0.000 0.816 20 L CB 1.767 43.797 42.059 -0.048 0.000 1.236 20 L HN 0.797 nan 8.230 nan 0.000 0.419 21 S N 0.140 115.834 115.700 -0.010 0.000 2.587 21 S HA 0.417 4.888 4.470 0.001 0.000 0.269 21 S C 0.331 175.092 174.600 0.269 0.000 1.154 21 S CA 0.141 58.415 58.200 0.124 0.000 0.824 21 S CB 1.383 64.641 63.200 0.098 0.000 1.118 21 S HN 0.624 nan 8.310 nan 0.000 0.462 22 S N 1.259 117.102 115.700 0.238 0.000 2.556 22 S HA 0.262 4.732 4.470 0.001 0.000 0.216 22 S C 0.526 175.200 174.600 0.124 0.000 0.970 22 S CA -0.226 58.087 58.200 0.188 0.000 0.912 22 S CB -0.456 62.822 63.200 0.130 0.000 0.790 22 S HN 0.727 nan 8.310 nan 0.000 0.504 23 H N 1.956 121.189 119.070 0.273 0.000 2.745 23 H HA 0.300 4.856 4.556 0.001 0.000 0.373 23 H C -0.511 174.983 175.328 0.277 0.000 1.226 23 H CA 0.521 56.727 56.048 0.263 0.000 1.435 23 H CB 0.503 30.442 29.762 0.294 0.000 1.461 23 H HN 0.424 nan 8.280 nan 0.000 0.616 24 D N 0.647 121.182 120.400 0.225 0.000 2.350 24 D HA -0.019 4.621 4.640 0.001 0.000 0.245 24 D C 0.512 176.671 176.300 -0.236 0.000 1.036 24 D CA -0.576 53.427 54.000 0.004 0.000 0.848 24 D CB 1.334 42.100 40.800 -0.057 0.000 1.307 24 D HN 0.271 nan 8.370 nan 0.000 0.469 25 F N 3.503 122.906 119.950 -0.912 0.000 2.269 25 F HA -0.041 4.487 4.527 0.001 0.000 0.301 25 F C 2.057 177.707 175.800 -0.250 0.000 1.082 25 F CA 1.231 58.715 58.000 -0.860 0.000 1.360 25 F CB 0.160 38.639 39.000 -0.870 0.000 1.041 25 F HN 0.383 nan 8.300 nan 0.000 0.512 26 R N -0.440 119.858 120.500 -0.336 0.000 2.240 26 R HA 0.012 4.352 4.340 0.001 0.000 0.203 26 R C 0.787 176.816 176.300 -0.453 0.000 1.011 26 R CA 0.832 56.574 56.100 -0.598 0.000 1.007 26 R CB -0.640 29.334 30.300 -0.542 0.000 0.911 26 R HN 0.289 nan 8.270 nan 0.000 0.468 27 T N -0.823 113.559 114.554 -0.287 0.000 2.916 27 T HA 0.119 4.470 4.350 0.001 0.000 0.303 27 T C -1.845 172.660 174.700 -0.324 0.000 1.025 27 T CA -1.560 60.400 62.100 -0.234 0.000 1.142 27 T CB 1.320 70.120 68.868 -0.114 0.000 0.947 27 T HN -0.153 nan 8.240 nan 0.000 0.544 28 P HA -0.053 nan 4.420 nan 0.000 0.215 28 P C 0.573 177.704 177.300 -0.282 0.000 1.153 28 P CA 0.885 63.839 63.100 -0.244 0.000 0.853 28 P CB 0.144 31.751 31.700 -0.156 0.000 0.788 29 R N 1.043 121.394 120.500 -0.249 0.000 2.248 29 R HA 0.152 4.492 4.340 0.001 0.000 0.337 29 R C -0.102 175.930 176.300 -0.446 0.000 1.106 29 R CA -0.359 55.596 56.100 -0.242 0.000 0.959 29 R CB 0.003 30.237 30.300 -0.109 0.000 1.075 29 R HN 0.042 nan 8.270 nan 0.000 0.480 30 R N 2.504 122.643 120.500 -0.602 0.000 2.538 30 R HA 0.023 4.364 4.340 0.001 0.000 0.282 30 R C 0.009 176.004 176.300 -0.508 0.000 1.009 30 R CA 0.295 55.799 56.100 -0.993 0.000 1.063 30 R CB 0.792 30.372 30.300 -1.201 0.000 0.945 30 R HN 0.587 nan 8.270 nan 0.000 0.414 31 A N 2.326 124.901 122.820 -0.408 0.000 2.239 31 A HA 0.098 4.419 4.320 0.001 0.000 0.303 31 A C 1.331 178.971 177.584 0.094 0.000 1.114 31 A CA -0.454 51.545 52.037 -0.063 0.000 0.871 31 A CB 0.342 19.180 19.000 -0.270 0.000 1.201 31 A HN 0.960 nan 8.150 nan 0.000 0.506 32 N N -0.446 118.332 118.700 0.131 0.000 2.091 32 N HA -0.233 4.507 4.740 0.001 0.000 0.193 32 N C 1.368 176.891 175.510 0.023 0.000 1.021 32 N CA 2.263 55.406 53.050 0.155 0.000 0.862 32 N CB -0.313 38.322 38.487 0.245 0.000 1.018 32 N HN 0.501 nan 8.380 nan 0.000 0.429 33 I N 1.501 122.099 120.570 0.047 0.000 2.394 33 I HA -0.172 3.999 4.170 0.001 0.000 0.251 33 I C 1.778 177.882 176.117 -0.022 0.000 1.136 33 I CA 1.246 62.562 61.300 0.027 0.000 1.425 33 I CB -0.503 37.548 38.000 0.084 0.000 1.079 33 I HN 0.156 nan 8.210 nan 0.000 0.425 34 H N -0.938 118.045 119.070 -0.146 0.000 2.353 34 H HA -0.112 4.444 4.556 0.001 0.000 0.300 34 H C 1.896 176.988 175.328 -0.393 0.000 1.090 34 H CA 2.322 58.238 56.048 -0.220 0.000 1.327 34 H CB -0.525 28.872 29.762 -0.607 0.000 1.383 34 H HN 0.284 nan 8.280 nan 0.000 0.508 35 F N -0.045 119.631 119.950 -0.456 0.000 2.186 35 F HA -0.091 4.436 4.527 0.001 0.000 0.299 35 F C 2.295 177.675 175.800 -0.701 0.000 1.090 35 F CA 0.877 58.329 58.000 -0.913 0.000 1.307 35 F CB -0.464 37.248 39.000 -2.148 0.000 1.019 35 F HN 0.108 nan 8.300 nan 0.000 0.489 36 I N -0.663 119.690 120.570 -0.361 0.000 2.252 36 I HA -0.276 3.894 4.170 0.001 0.000 0.245 36 I C 2.259 178.296 176.117 -0.133 0.000 1.102 36 I CA 1.505 62.729 61.300 -0.127 0.000 1.385 36 I CB -0.681 37.306 38.000 -0.021 0.000 1.064 36 I HN 0.086 nan 8.210 nan 0.000 0.414 37 T N -0.002 114.487 114.554 -0.107 0.000 2.788 37 T HA -0.181 4.170 4.350 0.001 0.000 0.268 37 T C 1.483 176.079 174.700 -0.173 0.000 1.044 37 T CA 1.407 63.417 62.100 -0.149 0.000 1.139 37 T CB -0.313 68.499 68.868 -0.094 0.000 0.867 37 T HN 0.300 nan 8.240 nan 0.000 0.454 38 D N 0.986 121.353 120.400 -0.055 0.000 2.149 38 D HA -0.087 4.554 4.640 0.001 0.000 0.198 38 D C 2.435 178.696 176.300 -0.065 0.000 0.990 38 D CA 0.905 54.892 54.000 -0.022 0.000 0.839 38 D CB -0.154 40.637 40.800 -0.015 0.000 0.948 38 D HN 0.304 nan 8.370 nan 0.000 0.460 39 Q N 0.146 119.899 119.800 -0.078 0.000 2.079 39 Q HA -0.013 4.327 4.340 0.001 0.000 0.200 39 Q C 2.683 178.584 176.000 -0.166 0.000 0.974 39 Q CA 0.412 56.171 55.803 -0.073 0.000 0.840 39 Q CB -0.383 28.344 28.738 -0.019 0.000 0.898 39 Q HN 0.398 nan 8.270 nan 0.000 0.430 40 L N 0.165 121.213 121.223 -0.292 0.000 2.046 40 L HA -0.153 4.188 4.340 0.001 0.000 0.208 40 L C 2.403 179.124 176.870 -0.249 0.000 1.077 40 L CA 1.175 55.696 54.840 -0.531 0.000 0.747 40 L CB -0.770 40.855 42.059 -0.723 0.000 0.896 40 L HN 0.100 nan 8.230 nan 0.000 0.432 41 A N -0.008 122.705 122.820 -0.177 0.000 2.070 41 A HA -0.120 4.201 4.320 0.001 0.000 0.220 41 A C 2.236 179.788 177.584 -0.053 0.000 1.159 41 A CA 1.274 53.246 52.037 -0.107 0.000 0.656 41 A CB -0.572 18.350 19.000 -0.130 0.000 0.800 41 A HN 0.406 nan 8.150 nan 0.000 0.453 42 L N -1.896 119.295 121.223 -0.053 0.000 2.313 42 L HA -0.022 4.319 4.340 0.001 0.000 0.214 42 L C 2.632 179.502 176.870 0.001 0.000 1.119 42 L CA 0.812 55.637 54.840 -0.026 0.000 0.809 42 L CB -0.196 41.845 42.059 -0.030 0.000 0.933 42 L HN 0.313 nan 8.230 nan 0.000 0.449 43 R N -0.715 119.799 120.500 0.024 0.000 2.206 43 R HA 0.259 4.600 4.340 0.001 0.000 0.198 43 R C 0.626 177.025 176.300 0.166 0.000 0.986 43 R CA 0.487 56.649 56.100 0.104 0.000 1.029 43 R CB 0.627 31.014 30.300 0.146 0.000 0.966 43 R HN 0.324 nan 8.270 nan 0.000 0.487 44 G N -1.926 106.982 108.800 0.180 0.000 2.342 44 G HA2 0.022 3.982 3.960 0.001 0.000 0.297 44 G HA3 0.022 3.982 3.960 0.001 0.000 0.297 44 G C 0.193 175.132 174.900 0.065 0.000 1.313 44 G CA -0.435 44.725 45.100 0.102 0.000 0.830 44 G HN -0.144 nan 8.290 nan 0.000 0.506 45 T N 0.704 115.240 114.554 -0.030 0.000 2.565 45 T HA -0.035 4.316 4.350 0.001 0.000 0.265 45 T C 1.071 175.713 174.700 -0.097 0.000 1.082 45 T CA 2.743 64.796 62.100 -0.077 0.000 1.173 45 T CB -0.783 68.014 68.868 -0.118 0.000 0.864 45 T HN 1.922 nan 8.240 nan 0.000 0.425 46 T N 1.894 116.395 114.554 -0.089 0.000 1.451 46 T HA -0.120 4.231 4.350 0.001 0.000 0.669 46 T C -0.488 174.013 174.700 -0.331 0.000 0.957 46 T CA 0.031 62.039 62.100 -0.154 0.000 3.547 46 T CB -0.693 68.089 68.868 -0.142 0.000 2.038 46 T HN 0.468 nan 8.240 nan 0.000 0.411 47 R N 1.262 121.494 120.500 -0.447 0.000 2.686 47 R HA 0.757 5.097 4.340 0.001 0.000 0.286 47 R C -1.007 175.113 176.300 -0.301 0.000 0.969 47 R CA -0.850 54.848 56.100 -0.670 0.000 0.898 47 R CB 1.983 31.323 30.300 -1.601 0.000 1.183 47 R HN 0.542 nan 8.270 nan 0.000 0.456 48 F N 3.196 122.999 119.950 -0.245 0.000 2.553 48 F HA 0.397 4.924 4.527 0.001 0.000 0.335 48 F C -1.433 174.514 175.800 0.246 0.000 1.148 48 F CA -0.834 57.139 58.000 -0.044 0.000 0.963 48 F CB 0.939 39.848 39.000 -0.153 0.000 1.217 48 F HN 0.441 nan 8.300 nan 0.000 0.441 49 F N 5.336 125.409 119.950 0.204 0.000 2.411 49 F HA 0.480 5.008 4.527 0.001 0.000 0.352 49 F C -0.318 175.658 175.800 0.292 0.000 1.123 49 F CA -0.367 57.840 58.000 0.345 0.000 1.044 49 F CB 1.199 40.312 39.000 0.189 0.000 1.135 49 F HN 0.300 nan 8.300 nan 0.000 0.461 50 S N 7.088 122.856 115.700 0.113 0.000 2.442 50 S HA 0.675 5.146 4.470 0.001 0.000 0.297 50 S C -0.646 174.086 174.600 0.219 0.000 1.131 50 S CA -0.557 57.784 58.200 0.234 0.000 1.092 50 S CB 0.312 63.625 63.200 0.189 0.000 0.998 50 S HN 0.684 nan 8.310 nan 0.000 0.478 51 L N 4.193 125.629 121.223 0.355 0.000 2.304 51 L HA 0.674 5.014 4.340 0.001 0.000 0.268 51 L C 1.213 178.284 176.870 0.334 0.000 1.010 51 L CA -1.093 54.037 54.840 0.483 0.000 0.813 51 L CB 0.769 43.164 42.059 0.559 0.000 1.315 51 L HN 0.788 nan 8.230 nan 0.000 0.445 52 R N 0.180 120.876 120.500 0.327 0.000 3.872 52 R HA -0.229 4.112 4.340 0.001 0.000 0.341 52 R C -1.358 174.773 176.300 -0.281 0.000 1.172 52 R CA 0.471 56.544 56.100 -0.045 0.000 0.901 52 R CB -1.296 28.997 30.300 -0.011 0.000 1.422 52 R HN 0.540 nan 8.270 nan 0.000 0.523 53 Y N 0.365 120.549 120.300 -0.193 0.000 2.352 53 Y HA 0.536 5.086 4.550 0.001 0.000 0.339 53 Y C -0.021 175.792 175.900 -0.146 0.000 0.992 53 Y CA 0.288 58.272 58.100 -0.194 0.000 1.100 53 Y CB 1.397 39.803 38.460 -0.090 0.000 1.192 53 Y HN 0.211 nan 8.280 nan 0.000 0.458 54 S N 4.533 119.854 115.700 -0.631 0.000 2.705 54 S HA 0.511 4.982 4.470 0.001 0.000 0.280 54 S C 0.328 174.641 174.600 -0.480 0.000 1.174 54 S CA -1.114 56.863 58.200 -0.371 0.000 0.823 54 S CB 1.846 65.026 63.200 -0.034 0.000 1.162 54 S HN 0.764 nan 8.310 nan 0.000 0.487 55 R N -0.612 119.728 120.500 -0.265 0.000 2.105 55 R HA -0.047 4.293 4.340 0.001 0.000 0.239 55 R C 1.940 178.125 176.300 -0.192 0.000 1.135 55 R CA 1.325 57.302 56.100 -0.205 0.000 0.967 55 R CB -0.841 29.388 30.300 -0.119 0.000 0.861 55 R HN 0.530 nan 8.270 nan 0.000 0.442 56 L N 0.817 121.933 121.223 -0.178 0.000 2.042 56 L HA -0.151 4.189 4.340 0.001 0.000 0.210 56 L C 2.247 179.026 176.870 -0.151 0.000 1.076 56 L CA 1.712 56.443 54.840 -0.180 0.000 0.749 56 L CB -0.728 41.167 42.059 -0.273 0.000 0.893 56 L HN 0.001 nan 8.230 nan 0.000 0.432 57 S N -0.792 114.830 115.700 -0.130 0.000 2.374 57 S HA -0.246 4.224 4.470 0.001 0.000 0.227 57 S C 2.057 176.563 174.600 -0.158 0.000 1.037 57 S CA 1.668 59.776 58.200 -0.154 0.000 1.024 57 S CB -0.165 62.784 63.200 -0.419 0.000 0.861 57 S HN 0.487 nan 8.310 nan 0.000 0.456 58 R N 0.915 121.283 120.500 -0.221 0.000 2.075 58 R HA 0.009 4.350 4.340 0.001 0.000 0.232 58 R C 1.987 178.244 176.300 -0.072 0.000 1.126 58 R CA 1.456 57.482 56.100 -0.123 0.000 0.963 58 R CB -0.387 29.831 30.300 -0.137 0.000 0.858 58 R HN 0.572 nan 8.270 nan 0.000 0.435 59 M N 0.302 119.848 119.600 -0.089 0.000 3.131 59 M HA 0.196 4.676 4.480 0.001 0.000 0.213 59 M C -0.231 176.028 176.300 -0.069 0.000 1.307 59 M CA 1.122 56.381 55.300 -0.069 0.000 1.263 59 M CB 0.489 33.044 32.600 -0.074 0.000 1.419 59 M HN -0.114 nan 8.290 nan 0.000 0.446 60 K N 0.071 120.436 120.400 -0.059 0.000 2.612 60 K HA 0.216 4.536 4.320 0.001 0.000 0.199 60 K C 0.527 177.111 176.600 -0.027 0.000 1.520 60 K CA 0.380 56.636 56.287 -0.052 0.000 1.039 60 K CB 1.282 33.735 32.500 -0.079 0.000 1.286 60 K HN 0.647 nan 8.250 nan 0.000 0.622 61 G N 2.628 111.419 108.800 -0.015 0.000 2.165 61 G HA2 -0.210 3.751 3.960 0.001 0.000 0.226 61 G HA3 -0.210 3.751 3.960 0.001 0.000 0.226 61 G C -0.361 174.551 174.900 0.019 0.000 1.035 61 G CA 0.192 45.294 45.100 0.004 0.000 0.744 61 G HN 0.326 nan 8.290 nan 0.000 0.501 62 D N 0.074 120.494 120.400 0.034 0.000 2.533 62 D HA 0.118 4.758 4.640 0.001 0.000 0.236 62 D C 1.933 178.271 176.300 0.064 0.000 1.137 62 D CA -0.263 53.778 54.000 0.068 0.000 0.867 62 D CB 0.466 41.362 40.800 0.160 0.000 1.170 62 D HN 0.018 nan 8.370 nan 0.000 0.474 63 M N 3.612 123.236 119.600 0.040 0.000 2.337 63 M HA -0.182 4.299 4.480 0.001 0.000 0.261 63 M C 1.696 177.990 176.300 -0.010 0.000 1.067 63 M CA 1.442 56.751 55.300 0.015 0.000 1.074 63 M CB -0.601 32.009 32.600 0.017 0.000 1.395 63 M HN 0.397 nan 8.290 nan 0.000 0.431 64 R N -0.997 119.499 120.500 -0.007 0.000 2.317 64 R HA 0.181 4.521 4.340 0.001 0.000 0.208 64 R C 1.904 178.138 176.300 -0.111 0.000 0.914 64 R CA -0.110 55.917 56.100 -0.121 0.000 1.060 64 R CB -0.038 30.095 30.300 -0.278 0.000 1.015 64 R HN 0.338 nan 8.270 nan 0.000 0.498 65 L N 1.008 122.257 121.223 0.044 0.000 2.043 65 L HA -0.147 4.193 4.340 0.001 0.000 0.212 65 L C -0.699 176.174 176.870 0.006 0.000 1.075 65 L CA 1.502 56.396 54.840 0.090 0.000 0.752 65 L CB -1.334 40.775 42.059 0.084 0.000 0.891 65 L HN 0.062 nan 8.230 nan 0.000 0.432 66 P HA -0.153 nan 4.420 nan 0.000 0.226 66 P C 1.408 178.660 177.300 -0.081 0.000 1.146 66 P CA 1.278 64.347 63.100 -0.053 0.000 0.773 66 P CB 0.024 31.685 31.700 -0.064 0.000 0.772 67 L N -1.719 119.430 121.223 -0.123 0.000 2.607 67 L HA 0.085 4.425 4.340 0.001 0.000 0.228 67 L C 1.815 178.598 176.870 -0.144 0.000 1.123 67 L CA 0.244 54.987 54.840 -0.162 0.000 0.890 67 L CB -0.556 41.360 42.059 -0.239 0.000 1.103 67 L HN -0.082 nan 8.230 nan 0.000 0.468 68 D N 0.829 121.187 120.400 -0.070 0.000 2.182 68 D HA -0.232 4.408 4.640 0.001 0.000 0.201 68 D C 1.489 177.789 176.300 -0.001 0.000 0.986 68 D CA 1.275 55.287 54.000 0.019 0.000 0.847 68 D CB 0.241 41.114 40.800 0.121 0.000 0.942 68 D HN 0.175 nan 8.370 nan 0.000 0.467 69 D N -1.050 119.337 120.400 -0.023 0.000 2.371 69 D HA -0.064 4.576 4.640 0.001 0.000 0.221 69 D C 1.649 177.923 176.300 -0.044 0.000 0.986 69 D CA 1.074 55.060 54.000 -0.024 0.000 0.899 69 D CB -0.068 40.719 40.800 -0.021 0.000 0.902 69 D HN 0.424 nan 8.370 nan 0.000 0.530 70 T N -2.723 111.785 114.554 -0.075 0.000 3.069 70 T HA 0.388 4.738 4.350 0.001 0.000 0.252 70 T C 0.936 175.543 174.700 -0.154 0.000 1.053 70 T CA -0.233 61.807 62.100 -0.100 0.000 0.964 70 T CB 0.240 69.042 68.868 -0.110 0.000 1.005 70 T HN 0.028 nan 8.240 nan 0.000 0.532 71 A N 2.361 125.100 122.820 -0.136 0.000 2.565 71 A HA 0.334 4.654 4.320 0.001 0.000 0.237 71 A C 0.908 178.353 177.584 -0.232 0.000 1.053 71 A CA 0.095 52.032 52.037 -0.168 0.000 0.755 71 A CB -0.548 18.456 19.000 0.007 0.000 0.980 71 A HN 0.588 nan 8.150 nan 0.000 0.506 72 N N -0.881 117.516 118.700 -0.505 0.000 2.782 72 N HA -0.157 4.583 4.740 0.001 0.000 0.251 72 N C 0.112 175.376 175.510 -0.410 0.000 1.101 72 N CA 1.756 54.488 53.050 -0.530 0.000 0.764 72 N CB -2.000 36.499 38.487 0.021 0.000 1.122 72 N HN 1.382 nan 8.380 nan 0.000 0.561 73 T N -4.300 109.943 114.554 -0.518 0.000 2.883 73 T HA 0.660 5.010 4.350 0.001 0.000 0.296 73 T C -0.188 174.461 174.700 -0.085 0.000 1.117 73 T CA -0.756 61.260 62.100 -0.140 0.000 1.006 73 T CB 2.579 71.411 68.868 -0.061 0.000 1.191 73 T HN -0.123 nan 8.240 nan 0.000 0.508 74 V N 1.879 121.879 119.914 0.144 0.000 2.461 74 V HA 0.571 4.692 4.120 0.001 0.000 0.275 74 V C -0.186 176.010 176.094 0.170 0.000 1.047 74 V CA -0.442 62.015 62.300 0.261 0.000 0.955 74 V CB 1.096 33.118 31.823 0.332 0.000 0.988 74 V HN 0.827 nan 8.190 nan 0.000 0.471 75 V N 3.724 123.746 119.914 0.179 0.000 2.656 75 V HA 0.425 4.545 4.120 0.001 0.000 0.307 75 V C 0.083 176.276 176.094 0.166 0.000 1.051 75 V CA -0.462 61.914 62.300 0.126 0.000 0.893 75 V CB 2.237 34.096 31.823 0.060 0.000 0.999 75 V HN 0.852 nan 8.190 nan 0.000 0.426 76 S N 2.857 118.641 115.700 0.141 0.000 2.513 76 S HA 0.526 4.996 4.470 0.001 0.000 0.276 76 S C -0.833 173.884 174.600 0.197 0.000 1.254 76 S CA -0.148 58.137 58.200 0.142 0.000 1.053 76 S CB 0.005 63.262 63.200 0.094 0.000 0.958 76 S HN 0.871 nan 8.310 nan 0.000 0.491 77 H N 4.242 123.373 119.070 0.102 0.000 3.108 77 H HA 0.373 4.929 4.556 0.001 0.000 0.329 77 H C -0.315 175.132 175.328 0.198 0.000 0.978 77 H CA -0.260 55.863 56.048 0.125 0.000 1.413 77 H CB 0.050 29.901 29.762 0.148 0.000 1.670 77 H HN 0.772 nan 8.280 nan 0.000 0.512 78 N N 3.930 122.471 118.700 -0.266 0.000 2.725 78 N HA -0.177 4.564 4.740 0.001 0.000 0.251 78 N C 1.034 176.530 175.510 -0.024 0.000 1.031 78 N CA 1.724 54.667 53.050 -0.177 0.000 0.720 78 N CB -1.318 37.007 38.487 -0.272 0.000 0.930 78 N HN 1.191 nan 8.380 nan 0.000 0.543 79 G N -3.033 105.754 108.800 -0.023 0.000 2.162 79 G HA2 -0.304 3.656 3.960 0.001 0.000 0.260 79 G HA3 -0.304 3.656 3.960 0.001 0.000 0.260 79 G C -0.016 174.841 174.900 -0.071 0.000 0.976 79 G CA 0.413 45.492 45.100 -0.035 0.000 0.655 79 G HN 0.540 nan 8.290 nan 0.000 0.533 80 V N 1.235 121.108 119.914 -0.067 0.000 2.459 80 V HA 0.444 4.565 4.120 0.001 0.000 0.295 80 V C -0.436 175.629 176.094 -0.048 0.000 1.029 80 V CA -1.145 61.043 62.300 -0.186 0.000 0.874 80 V CB 1.869 33.325 31.823 -0.611 0.000 0.985 80 V HN 0.220 nan 8.190 nan 0.000 0.438 81 D N 3.175 123.515 120.400 -0.101 0.000 2.325 81 D HA 0.275 4.916 4.640 0.001 0.000 0.251 81 D C -0.367 176.014 176.300 0.136 0.000 1.196 81 D CA 0.079 54.093 54.000 0.024 0.000 0.866 81 D CB 1.122 41.875 40.800 -0.078 0.000 1.101 81 D HN 0.483 nan 8.370 nan 0.000 0.476 82 C N 2.909 122.398 119.300 0.316 0.000 2.376 82 C HA 0.500 4.960 4.460 0.001 0.000 0.335 82 C C -0.245 175.036 174.990 0.484 0.000 1.229 82 C CA -0.862 58.376 59.018 0.366 0.000 1.867 82 C CB -0.012 27.864 27.740 0.227 0.000 2.319 82 C HN 0.606 nan 8.230 nan 0.000 0.515 83 Y N 2.590 123.066 120.300 0.293 0.000 2.332 83 Y HA 0.563 5.114 4.550 0.001 0.000 0.325 83 Y C -0.921 174.873 175.900 -0.176 0.000 1.054 83 Y CA -0.821 57.298 58.100 0.032 0.000 1.119 83 Y CB 0.789 39.198 38.460 -0.085 0.000 1.168 83 Y HN 0.652 nan 8.280 nan 0.000 0.439 84 L N 7.618 128.632 121.223 -0.349 0.000 2.268 84 L HA 0.344 4.684 4.340 0.001 0.000 0.289 84 L C -1.157 175.540 176.870 -0.289 0.000 1.064 84 L CA -0.424 54.237 54.840 -0.298 0.000 0.824 84 L CB -0.011 41.834 42.059 -0.357 0.000 1.202 84 L HN 0.705 nan 8.230 nan 0.000 0.433 85 W N 7.049 128.163 121.300 -0.311 0.000 2.356 85 W HA 0.350 5.010 4.660 0.001 0.000 0.311 85 W C -0.249 176.367 176.519 0.162 0.000 1.328 85 W CA -0.664 56.658 57.345 -0.038 0.000 1.251 85 W CB 0.263 29.749 29.460 0.044 0.000 1.280 85 W HN 0.587 nan 8.180 nan 0.000 0.524 86 R N 5.334 125.984 120.500 0.249 0.000 2.409 86 R HA 0.389 4.730 4.340 0.001 0.000 0.313 86 R C -0.071 176.191 176.300 -0.062 0.000 0.953 86 R CA -0.183 55.990 56.100 0.121 0.000 0.849 86 R CB 0.924 31.370 30.300 0.244 0.000 1.171 86 R HN 0.571 nan 8.270 nan 0.000 0.458 87 T N -0.112 114.299 114.554 -0.238 0.000 2.910 87 T HA 0.257 4.607 4.350 0.001 0.000 0.279 87 T C 1.120 175.770 174.700 -0.084 0.000 0.989 87 T CA -0.619 61.398 62.100 -0.140 0.000 0.968 87 T CB 1.564 70.321 68.868 -0.185 0.000 1.135 87 T HN 0.391 nan 8.240 nan 0.000 0.562 88 T N 0.459 114.993 114.554 -0.033 0.000 2.732 88 T HA 0.124 4.475 4.350 0.001 0.000 0.261 88 T C 1.059 175.703 174.700 -0.093 0.000 1.040 88 T CA 1.242 63.311 62.100 -0.051 0.000 1.145 88 T CB -0.390 68.465 68.868 -0.022 0.000 0.866 88 T HN 0.827 nan 8.240 nan 0.000 0.427 89 V N 0.713 120.572 119.914 -0.091 0.000 2.960 89 V HA 0.812 4.933 4.120 0.001 0.000 0.315 89 V C -0.966 175.027 176.094 -0.168 0.000 1.087 89 V CA -1.433 60.767 62.300 -0.166 0.000 0.982 89 V CB 1.656 33.372 31.823 -0.178 0.000 1.039 89 V HN 0.651 nan 8.190 nan 0.000 0.437 90 H N 0.784 119.700 119.070 -0.257 0.000 2.679 90 H HA 0.882 5.438 4.556 0.001 0.000 0.367 90 H C -2.961 172.139 175.328 -0.381 0.000 1.162 90 H CA -2.586 53.181 56.048 -0.470 0.000 1.181 90 H CB 1.768 31.246 29.762 -0.473 0.000 1.693 90 H HN 0.607 nan 8.280 nan 0.000 0.538 91 P HA 0.180 nan 4.420 nan 0.000 0.274 91 P C -1.055 175.942 177.300 -0.505 0.000 1.231 91 P CA -0.128 62.409 63.100 -0.938 0.000 0.790 91 P CB 0.709 31.264 31.700 -1.908 0.000 0.951 92 F N -1.554 118.111 119.950 -0.475 0.000 2.741 92 F HA 0.479 5.006 4.527 0.001 0.000 0.313 92 F C -0.819 175.086 175.800 0.175 0.000 1.153 92 F CA -1.456 56.560 58.000 0.026 0.000 0.931 92 F CB 0.673 39.660 39.000 -0.021 0.000 1.335 92 F HN 0.039 nan 8.300 nan 0.000 0.460 93 N N 1.250 120.121 118.700 0.284 0.000 2.405 93 N HA 0.144 4.884 4.740 0.001 0.000 0.260 93 N C 0.927 176.481 175.510 0.073 0.000 1.152 93 N CA 0.639 53.765 53.050 0.128 0.000 0.948 93 N CB 1.359 39.945 38.487 0.165 0.000 1.111 93 N HN 0.878 nan 8.380 nan 0.000 0.485 94 T N 1.192 115.636 114.554 -0.183 0.000 2.985 94 T HA -0.006 4.344 4.350 0.001 0.000 0.266 94 T C 0.651 175.336 174.700 -0.025 0.000 1.076 94 T CA 0.485 62.506 62.100 -0.132 0.000 1.135 94 T CB -0.102 68.562 68.868 -0.340 0.000 0.890 94 T HN 0.754 nan 8.240 nan 0.000 0.480 95 R N 0.327 120.806 120.500 -0.035 0.000 3.872 95 R HA -0.103 4.237 4.340 0.001 0.000 0.341 95 R C -0.772 175.520 176.300 -0.012 0.000 1.172 95 R CA 0.522 56.626 56.100 0.006 0.000 0.901 95 R CB -1.960 28.373 30.300 0.054 0.000 1.422 95 R HN 0.516 nan 8.270 nan 0.000 0.523 96 R N 0.198 120.633 120.500 -0.107 0.000 2.435 96 R HA 0.169 4.509 4.340 0.001 0.000 0.308 96 R C 1.074 177.240 176.300 -0.223 0.000 0.975 96 R CA 0.162 56.178 56.100 -0.139 0.000 0.867 96 R CB 1.524 31.642 30.300 -0.304 0.000 1.171 96 R HN 0.207 nan 8.270 nan 0.000 0.470 97 S N 2.827 118.519 115.700 -0.013 0.000 2.474 97 S HA -0.097 4.373 4.470 0.001 0.000 0.235 97 S C 1.465 176.094 174.600 0.047 0.000 0.997 97 S CA 0.150 58.357 58.200 0.012 0.000 0.949 97 S CB -0.161 63.081 63.200 0.069 0.000 0.766 97 S HN 0.860 nan 8.310 nan 0.000 0.517 98 W N 1.023 122.326 121.300 0.005 0.000 2.518 98 W HA 0.281 4.942 4.660 0.001 0.000 0.273 98 W C 1.079 177.595 176.519 -0.005 0.000 1.247 98 W CA -0.236 57.110 57.345 0.002 0.000 1.288 98 W CB -0.776 28.685 29.460 0.001 0.000 1.107 98 W HN 0.258 nan 8.180 nan 0.000 0.586 99 L N 1.478 122.223 121.223 -0.796 0.000 2.610 99 L HA 0.027 4.368 4.340 0.001 0.000 0.232 99 L C 2.741 179.413 176.870 -0.330 0.000 1.149 99 L CA 0.138 54.538 54.840 -0.733 0.000 0.872 99 L CB -0.392 41.068 42.059 -0.999 0.000 0.992 99 L HN -0.189 nan 8.230 nan 0.000 0.447 100 R N 0.868 121.256 120.500 -0.186 0.000 2.103 100 R HA -0.160 4.181 4.340 0.001 0.000 0.242 100 R C -0.513 175.766 176.300 -0.034 0.000 1.142 100 R CA 1.618 57.670 56.100 -0.080 0.000 0.960 100 R CB -1.757 28.531 30.300 -0.020 0.000 0.858 100 R HN 0.394 nan 8.270 nan 0.000 0.439 101 P HA 0.016 nan 4.420 nan 0.000 0.231 101 P C 1.482 178.771 177.300 -0.017 0.000 1.168 101 P CA 0.648 63.755 63.100 0.010 0.000 0.779 101 P CB 0.025 31.741 31.700 0.027 0.000 0.844 102 V N 0.803 120.669 119.914 -0.080 0.000 2.379 102 V HA -0.178 3.943 4.120 0.001 0.000 0.245 102 V C 2.569 178.576 176.094 -0.145 0.000 1.044 102 V CA 1.688 63.912 62.300 -0.127 0.000 1.036 102 V CB -1.112 30.596 31.823 -0.191 0.000 0.664 102 V HN 0.115 nan 8.190 nan 0.000 0.453 103 E N 0.270 120.386 120.200 -0.140 0.000 2.023 103 E HA -0.253 4.098 4.350 0.001 0.000 0.196 103 E C 2.030 178.700 176.600 0.116 0.000 1.003 103 E CA 1.659 58.021 56.400 -0.063 0.000 0.809 103 E CB -0.268 29.439 29.700 0.012 0.000 0.755 103 E HN 0.586 nan 8.360 nan 0.000 0.449 104 D N 0.518 121.005 120.400 0.146 0.000 2.133 104 D HA -0.203 4.437 4.640 0.001 0.000 0.195 104 D C 1.858 178.233 176.300 0.126 0.000 0.997 104 D CA 1.431 55.569 54.000 0.229 0.000 0.840 104 D CB -0.367 40.567 40.800 0.223 0.000 0.947 104 D HN 0.197 nan 8.370 nan 0.000 0.452 105 A N 0.650 123.509 122.820 0.064 0.000 1.902 105 A HA -0.158 4.162 4.320 0.001 0.000 0.217 105 A C 2.306 179.918 177.584 0.046 0.000 1.181 105 A CA 1.492 53.563 52.037 0.056 0.000 0.623 105 A CB -0.538 18.457 19.000 -0.010 0.000 0.818 105 A HN 0.163 nan 8.150 nan 0.000 0.443 106 M N -2.170 117.384 119.600 -0.077 0.000 2.200 106 M HA -0.017 4.463 4.480 0.001 0.000 0.265 106 M C 1.902 178.109 176.300 -0.155 0.000 1.066 106 M CA 1.279 56.488 55.300 -0.152 0.000 1.127 106 M CB -0.335 32.048 32.600 -0.362 0.000 1.379 106 M HN 0.436 nan 8.290 nan 0.000 0.420 107 F N 0.231 120.035 119.950 -0.244 0.000 2.163 107 F HA -0.079 4.448 4.527 0.001 0.000 0.297 107 F C 2.550 178.126 175.800 -0.373 0.000 1.094 107 F CA 1.325 59.034 58.000 -0.485 0.000 1.290 107 F CB -0.399 37.826 39.000 -1.291 0.000 1.017 107 F HN -0.013 nan 8.300 nan 0.000 0.483 108 R N -0.686 119.765 120.500 -0.081 0.000 2.081 108 R HA -0.233 4.108 4.340 0.001 0.000 0.235 108 R C 2.289 178.737 176.300 0.247 0.000 1.131 108 R CA 1.580 57.764 56.100 0.140 0.000 0.960 108 R CB -0.832 29.608 30.300 0.234 0.000 0.856 108 R HN 0.450 nan 8.270 nan 0.000 0.436 109 W N 0.499 121.866 121.300 0.111 0.000 2.355 109 W HA -0.275 4.386 4.660 0.001 0.000 0.309 109 W C 1.859 178.602 176.519 0.373 0.000 1.206 109 W CA 1.321 58.803 57.345 0.228 0.000 1.284 109 W CB -0.487 29.036 29.460 0.105 0.000 1.145 109 W HN 0.086 nan 8.180 nan 0.000 0.502 110 Y N 1.412 121.892 120.300 0.299 0.000 2.128 110 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 110 Y C 2.595 178.714 175.900 0.366 0.000 1.154 110 Y CA 2.912 61.197 58.100 0.308 0.000 1.149 110 Y CB -1.070 37.501 38.460 0.185 0.000 0.976 110 Y HN -0.037 nan 8.280 nan 0.000 0.505 111 A N -0.300 122.613 122.820 0.156 0.000 2.015 111 A HA 0.047 4.368 4.320 0.001 0.000 0.219 111 A C 2.259 179.827 177.584 -0.027 0.000 1.163 111 A CA 1.413 53.338 52.037 -0.187 0.000 0.646 111 A CB -1.183 17.699 19.000 -0.197 0.000 0.806 111 A HN 0.508 nan 8.150 nan 0.000 0.448 112 A N -1.599 121.219 122.820 -0.003 0.000 2.208 112 A HA 0.141 4.462 4.320 0.001 0.000 0.209 112 A C 0.761 178.091 177.584 -0.423 0.000 1.161 112 A CA 0.615 52.538 52.037 -0.189 0.000 0.782 112 A CB -0.429 18.425 19.000 -0.242 0.000 0.816 112 A HN 0.582 nan 8.150 nan 0.000 0.477 113 H N 0.005 119.026 119.070 -0.083 0.000 2.500 113 H HA 0.245 4.801 4.556 0.001 0.000 0.243 113 H C -2.638 172.744 175.328 0.090 0.000 1.318 113 H CA -1.687 54.333 56.048 -0.047 0.000 1.077 113 H CB 0.268 29.963 29.762 -0.111 0.000 1.748 113 H HN 0.319 nan 8.280 nan 0.000 0.556 114 P HA 0.073 nan 4.420 nan 0.000 0.269 114 P C -2.565 174.517 177.300 -0.362 0.000 1.215 114 P CA -1.238 61.689 63.100 -0.288 0.000 0.780 114 P CB 1.117 32.674 31.700 -0.238 0.000 0.898 115 P HA 0.152 nan 4.420 nan 0.000 0.276 115 P C 0.941 177.998 177.300 -0.405 0.000 1.244 115 P CA -0.408 62.441 63.100 -0.418 0.000 0.801 115 P CB 1.090 32.483 31.700 -0.513 0.000 1.006 116 K N 0.987 121.227 120.400 -0.267 0.000 2.113 116 K HA -0.280 4.040 4.320 0.001 0.000 0.208 116 K C 1.963 178.333 176.600 -0.383 0.000 1.047 116 K CA 1.790 57.921 56.287 -0.260 0.000 0.928 116 K CB -0.143 32.256 32.500 -0.169 0.000 0.716 116 K HN 0.273 nan 8.250 nan 0.000 0.446 117 Q N 0.916 120.405 119.800 -0.518 0.000 2.096 117 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 117 Q C 1.913 177.377 176.000 -0.892 0.000 0.982 117 Q CA 1.471 56.791 55.803 -0.805 0.000 0.850 117 Q CB -0.358 27.696 28.738 -1.140 0.000 0.901 117 Q HN 0.360 nan 8.270 nan 0.000 0.422 118 L N -0.409 120.301 121.223 -0.854 0.000 2.017 118 L HA -0.119 4.222 4.340 0.001 0.000 0.208 118 L C 1.992 178.560 176.870 -0.505 0.000 1.073 118 L CA 1.729 56.012 54.840 -0.929 0.000 0.745 118 L CB -0.669 40.569 42.059 -1.368 0.000 0.894 118 L HN 0.370 nan 8.230 nan 0.000 0.432 119 L N -0.666 120.309 121.223 -0.414 0.000 2.042 119 L HA -0.226 4.114 4.340 0.001 0.000 0.210 119 L C 2.289 179.059 176.870 -0.166 0.000 1.076 119 L CA 1.403 56.098 54.840 -0.241 0.000 0.749 119 L CB -0.972 40.964 42.059 -0.206 0.000 0.893 119 L HN 0.296 nan 8.230 nan 0.000 0.432 120 D N -0.758 119.525 120.400 -0.196 0.000 2.117 120 D HA -0.191 4.449 4.640 0.001 0.000 0.197 120 D C 1.997 178.335 176.300 0.062 0.000 0.987 120 D CA 1.075 55.020 54.000 -0.092 0.000 0.829 120 D CB -0.211 40.503 40.800 -0.144 0.000 0.961 120 D HN 0.314 nan 8.370 nan 0.000 0.460 121 W N 1.039 122.221 121.300 -0.196 0.000 2.363 121 W HA 0.032 4.693 4.660 0.001 0.000 0.296 121 W C 2.427 178.839 176.519 -0.178 0.000 1.212 121 W CA 0.370 57.609 57.345 -0.177 0.000 1.260 121 W CB -0.952 28.389 29.460 -0.199 0.000 1.131 121 W HN 0.032 nan 8.180 nan 0.000 0.530 122 M N -0.598 119.017 119.600 0.024 0.000 2.080 122 M HA -0.225 4.256 4.480 0.001 0.000 0.260 122 M C 2.277 178.562 176.300 -0.024 0.000 1.068 122 M CA 1.825 57.104 55.300 -0.036 0.000 1.109 122 M CB -0.723 31.843 32.600 -0.057 0.000 1.342 122 M HN -0.121 nan 8.290 nan 0.000 0.405 123 R N 0.698 121.187 120.500 -0.018 0.000 2.096 123 R HA -0.159 4.181 4.340 0.001 0.000 0.235 123 R C 1.578 177.866 176.300 -0.021 0.000 1.127 123 R CA 1.609 57.697 56.100 -0.020 0.000 0.968 123 R CB -0.057 30.230 30.300 -0.023 0.000 0.861 123 R HN 0.453 nan 8.270 nan 0.000 0.440 124 E N -0.100 120.097 120.200 -0.005 0.000 2.427 124 E HA 0.017 4.368 4.350 0.001 0.000 0.196 124 E C -0.120 176.430 176.600 -0.083 0.000 1.028 124 E CA 0.065 56.449 56.400 -0.027 0.000 0.864 124 E CB 0.394 30.102 29.700 0.013 0.000 0.813 124 E HN 0.138 nan 8.360 nan 0.000 0.514 125 S N 1.030 116.674 115.700 -0.093 0.000 2.565 125 S HA 0.062 4.533 4.470 0.001 0.000 0.274 125 S C 0.398 174.914 174.600 -0.139 0.000 1.309 125 S CA -0.570 57.543 58.200 -0.146 0.000 1.043 125 S CB 1.039 64.157 63.200 -0.137 0.000 0.939 125 S HN 0.129 nan 8.310 nan 0.000 0.504 126 D N 0.808 121.085 120.400 -0.205 0.000 2.301 126 D HA 0.105 4.746 4.640 0.001 0.000 0.206 126 D C -0.080 176.137 176.300 -0.137 0.000 0.979 126 D CA 0.846 54.742 54.000 -0.173 0.000 0.874 126 D CB 0.476 41.136 40.800 -0.233 0.000 0.968 126 D HN 0.223 nan 8.370 nan 0.000 0.510 127 V N 1.899 121.709 119.914 -0.173 0.000 2.623 127 V HA 0.376 4.497 4.120 0.001 0.000 0.304 127 V C -0.380 175.688 176.094 -0.043 0.000 1.054 127 V CA -0.694 61.581 62.300 -0.042 0.000 0.882 127 V CB 2.673 34.547 31.823 0.085 0.000 1.002 127 V HN -0.098 nan 8.190 nan 0.000 0.424 128 I N 4.572 125.110 120.570 -0.054 0.000 2.406 128 I HA 0.520 4.690 4.170 0.001 0.000 0.290 128 I C -0.650 175.287 176.117 -0.300 0.000 0.999 128 I CA -0.903 60.249 61.300 -0.247 0.000 1.124 128 I CB 2.093 39.899 38.000 -0.324 0.000 1.289 128 I HN 0.275 nan 8.210 nan 0.000 0.441 129 V N 6.769 126.458 119.914 -0.375 0.000 2.370 129 V HA 0.387 4.508 4.120 0.001 0.000 0.283 129 V C -0.546 175.282 176.094 -0.443 0.000 1.023 129 V CA -0.466 61.682 62.300 -0.253 0.000 0.857 129 V CB 1.084 32.816 31.823 -0.151 0.000 0.985 129 V HN 0.374 nan 8.190 nan 0.000 0.443 130 F N 2.501 122.473 119.950 0.036 0.000 2.388 130 F HA 0.449 4.976 4.527 0.001 0.000 0.358 130 F C 0.557 176.288 175.800 -0.116 0.000 1.122 130 F CA -0.536 57.493 58.000 0.048 0.000 1.056 130 F CB 1.189 40.329 39.000 0.234 0.000 1.155 130 F HN 0.493 nan 8.300 nan 0.000 0.461 131 E N 2.062 122.269 120.200 0.012 0.000 2.366 131 E HA 0.211 4.562 4.350 0.001 0.000 0.266 131 E C -0.213 176.277 176.600 -0.183 0.000 1.051 131 E CA -0.576 55.758 56.400 -0.109 0.000 0.884 131 E CB 0.843 30.555 29.700 0.020 0.000 1.006 131 E HN 0.685 nan 8.360 nan 0.000 0.417 132 S N 2.260 117.691 115.700 -0.448 0.000 2.573 132 S HA 0.360 4.830 4.470 0.001 0.000 0.297 132 S C 0.691 175.308 174.600 0.030 0.000 1.280 132 S CA -0.083 57.959 58.200 -0.262 0.000 1.061 132 S CB 0.616 63.715 63.200 -0.169 0.000 0.812 132 S HN 0.971 nan 8.310 nan 0.000 0.500 133 G N 1.976 110.848 108.800 0.120 0.000 2.301 133 G HA2 -0.072 3.888 3.960 0.001 0.000 0.194 133 G HA3 -0.072 3.888 3.960 0.001 0.000 0.194 133 G C 0.208 175.267 174.900 0.264 0.000 1.266 133 G CA -0.214 44.990 45.100 0.173 0.000 1.210 133 G HN 1.149 nan 8.290 nan 0.000 0.524 134 I N 1.890 122.662 120.570 0.337 0.000 2.399 134 I HA 0.036 4.207 4.170 0.001 0.000 0.254 134 I C 2.978 179.461 176.117 0.611 0.000 1.146 134 I CA 2.940 64.536 61.300 0.493 0.000 1.412 134 I CB -0.623 37.694 38.000 0.528 0.000 1.076 134 I HN 1.162 nan 8.210 nan 0.000 0.432 135 A N -0.435 122.713 122.820 0.547 0.000 1.978 135 A HA -0.182 4.138 4.320 0.001 0.000 0.220 135 A C 2.391 180.346 177.584 0.619 0.000 1.170 135 A CA 1.900 54.334 52.037 0.662 0.000 0.636 135 A CB -1.286 18.039 19.000 0.541 0.000 0.810 135 A HN 0.333 nan 8.150 nan 0.000 0.448 136 V N -0.137 120.034 119.914 0.429 0.000 2.313 136 V HA -0.382 3.739 4.120 0.001 0.000 0.253 136 V C 2.932 179.141 176.094 0.192 0.000 1.070 136 V CA 2.139 64.597 62.300 0.263 0.000 1.057 136 V CB -1.178 30.769 31.823 0.207 0.000 0.653 136 V HN 0.654 nan 8.190 nan 0.000 0.450 137 A N -1.673 121.303 122.820 0.260 0.000 2.178 137 A HA -0.088 4.233 4.320 0.001 0.000 0.218 137 A C 1.690 179.080 177.584 -0.324 0.000 1.157 137 A CA 1.498 53.569 52.037 0.056 0.000 0.689 137 A CB -0.538 18.521 19.000 0.098 0.000 0.787 137 A HN 0.592 nan 8.150 nan 0.000 0.465 138 F N -1.844 118.242 119.950 0.227 0.000 2.706 138 F HA 0.328 4.855 4.527 0.001 0.000 0.313 138 F C 1.511 177.376 175.800 0.108 0.000 1.096 138 F CA -0.476 57.639 58.000 0.192 0.000 1.219 138 F CB -0.002 39.152 39.000 0.256 0.000 1.051 138 F HN 0.065 nan 8.300 nan 0.000 0.568 139 I N 0.251 120.766 120.570 -0.092 0.000 2.179 139 I HA -0.263 3.908 4.170 0.001 0.000 0.242 139 I C 2.603 178.651 176.117 -0.115 0.000 1.088 139 I CA 1.575 62.589 61.300 -0.476 0.000 1.357 139 I CB -0.137 37.516 38.000 -0.578 0.000 1.051 139 I HN 0.071 nan 8.210 nan 0.000 0.409 140 E N 1.282 121.444 120.200 -0.063 0.000 2.072 140 E HA -0.241 4.110 4.350 0.001 0.000 0.191 140 E C 2.014 178.624 176.600 0.017 0.000 0.985 140 E CA 1.206 57.589 56.400 -0.029 0.000 0.801 140 E CB -0.350 29.329 29.700 -0.036 0.000 0.750 140 E HN 0.309 nan 8.360 nan 0.000 0.452 141 L N 0.497 121.749 121.223 0.048 0.000 2.013 141 L HA -0.151 4.190 4.340 0.001 0.000 0.212 141 L C 2.221 179.146 176.870 0.090 0.000 1.073 141 L CA 2.556 57.440 54.840 0.072 0.000 0.753 141 L CB -1.133 41.006 42.059 0.134 0.000 0.890 141 L HN 0.190 nan 8.230 nan 0.000 0.432 142 A N -0.861 122.059 122.820 0.166 0.000 1.933 142 A HA -0.263 4.057 4.320 0.001 0.000 0.218 142 A C 2.374 180.029 177.584 0.118 0.000 1.175 142 A CA 1.962 54.113 52.037 0.190 0.000 0.628 142 A CB -0.616 18.642 19.000 0.431 0.000 0.814 142 A HN 0.465 nan 8.150 nan 0.000 0.444 143 K N -0.114 120.339 120.400 0.089 0.000 2.057 143 K HA -0.085 4.236 4.320 0.001 0.000 0.207 143 K C 2.202 178.818 176.600 0.027 0.000 1.049 143 K CA 1.591 57.907 56.287 0.049 0.000 0.931 143 K CB -0.191 32.321 32.500 0.020 0.000 0.714 143 K HN 0.486 nan 8.250 nan 0.000 0.440 144 R N -0.614 119.898 120.500 0.019 0.000 2.090 144 R HA -0.029 4.311 4.340 0.001 0.000 0.228 144 R C 2.141 178.441 176.300 0.001 0.000 1.110 144 R CA 1.268 57.370 56.100 0.004 0.000 0.973 144 R CB -0.189 30.109 30.300 -0.004 0.000 0.869 144 R HN 0.034 nan 8.270 nan 0.000 0.440 145 V N 0.879 120.797 119.914 0.007 0.000 2.488 145 V HA -0.092 4.029 4.120 0.001 0.000 0.246 145 V C 0.609 176.701 176.094 -0.003 0.000 1.046 145 V CA 1.077 63.373 62.300 -0.007 0.000 1.053 145 V CB -0.340 31.474 31.823 -0.015 0.000 0.679 145 V HN 0.308 nan 8.190 nan 0.000 0.458 146 N N -0.328 118.380 118.700 0.012 0.000 2.751 146 N HA 0.194 4.934 4.740 0.001 0.000 0.238 146 N C -2.108 173.415 175.510 0.021 0.000 1.351 146 N CA -1.355 51.700 53.050 0.008 0.000 0.751 146 N CB 1.573 40.061 38.487 0.002 0.000 1.342 146 N HN 0.031 nan 8.380 nan 0.000 0.540 147 P HA -0.037 nan 4.420 nan 0.000 0.223 147 P C 0.931 178.242 177.300 0.017 0.000 1.151 147 P CA 0.615 63.726 63.100 0.018 0.000 0.787 147 P CB 0.362 32.066 31.700 0.007 0.000 0.788 148 A N 0.152 122.976 122.820 0.008 0.000 2.119 148 A HA 0.236 4.557 4.320 0.001 0.000 0.217 148 A C 1.491 179.079 177.584 0.006 0.000 1.153 148 A CA 0.601 52.639 52.037 0.002 0.000 0.692 148 A CB -1.071 17.923 19.000 -0.010 0.000 0.799 148 A HN 0.294 nan 8.150 nan 0.000 0.458 149 A N 0.295 123.123 122.820 0.014 0.000 2.477 149 A HA 0.403 4.723 4.320 0.001 0.000 0.246 149 A C 0.412 178.026 177.584 0.050 0.000 1.078 149 A CA -0.240 51.806 52.037 0.016 0.000 0.770 149 A CB -0.020 18.993 19.000 0.021 0.000 1.011 149 A HN 0.425 nan 8.150 nan 0.000 0.494 150 K N 2.746 123.172 120.400 0.044 0.000 2.339 150 K HA 0.391 4.711 4.320 0.001 0.000 0.286 150 K C -1.071 175.610 176.600 0.136 0.000 1.050 150 K CA -0.073 56.262 56.287 0.081 0.000 0.956 150 K CB 0.160 32.699 32.500 0.066 0.000 0.990 150 K HN 0.659 nan 8.250 nan 0.000 0.475 151 L N 5.583 126.924 121.223 0.196 0.000 2.262 151 L HA 0.327 4.667 4.340 0.001 0.000 0.288 151 L C -0.844 176.236 176.870 0.349 0.000 1.035 151 L CA -1.066 53.981 54.840 0.344 0.000 0.820 151 L CB 1.509 43.776 42.059 0.346 0.000 1.204 151 L HN 0.378 nan 8.230 nan 0.000 0.424 152 V N 3.779 123.919 119.914 0.375 0.000 2.357 152 V HA 0.233 4.354 4.120 0.001 0.000 0.284 152 V C -0.684 175.694 176.094 0.472 0.000 1.018 152 V CA -0.660 61.840 62.300 0.334 0.000 0.841 152 V CB 1.570 33.511 31.823 0.196 0.000 0.991 152 V HN 0.438 nan 8.190 nan 0.000 0.437 153 Y N 5.686 126.189 120.300 0.340 0.000 2.341 153 Y HA 0.679 5.230 4.550 0.001 0.000 0.340 153 Y C 0.183 176.222 175.900 0.231 0.000 0.997 153 Y CA -0.634 57.660 58.100 0.324 0.000 1.149 153 Y CB 0.884 39.538 38.460 0.324 0.000 1.171 153 Y HN 0.637 nan 8.280 nan 0.000 0.494 154 R N 5.354 125.743 120.500 -0.185 0.000 2.246 154 R HA 0.577 4.918 4.340 0.001 0.000 0.332 154 R C -1.417 174.679 176.300 -0.341 0.000 0.974 154 R CA -0.756 55.276 56.100 -0.114 0.000 0.837 154 R CB 0.221 30.507 30.300 -0.024 0.000 1.145 154 R HN 0.719 nan 8.270 nan 0.000 0.467 155 A N 3.776 126.505 122.820 -0.151 0.000 2.807 155 A HA 0.257 4.578 4.320 0.001 0.000 0.307 155 A C 0.543 178.076 177.584 -0.086 0.000 1.532 155 A CA -0.229 51.731 52.037 -0.129 0.000 1.215 155 A CB -0.120 18.946 19.000 0.111 0.000 1.127 155 A HN 0.881 nan 8.150 nan 0.000 0.543 156 S N 0.975 116.643 115.700 -0.053 0.000 2.406 156 S HA 0.231 4.702 4.470 0.001 0.000 0.228 156 S C 1.017 175.628 174.600 0.018 0.000 1.020 156 S CA 1.227 59.470 58.200 0.071 0.000 0.965 156 S CB 0.014 63.312 63.200 0.163 0.000 0.798 156 S HN 1.143 nan 8.310 nan 0.000 0.488 157 A N 0.224 123.021 122.820 -0.039 0.000 2.572 157 A HA 0.691 5.012 4.320 0.001 0.000 0.295 157 A C -0.028 177.515 177.584 -0.069 0.000 1.072 157 A CA -0.358 51.669 52.037 -0.017 0.000 0.691 157 A CB 0.743 19.844 19.000 0.169 0.000 1.291 157 A HN 0.261 nan 8.150 nan 0.000 0.404 158 G N -0.156 108.645 108.800 0.002 0.000 2.442 158 G HA2 0.437 4.398 3.960 0.001 0.000 0.249 158 G HA3 0.437 4.398 3.960 0.001 0.000 0.249 158 G C 0.781 175.767 174.900 0.143 0.000 1.263 158 G CA -0.463 44.712 45.100 0.126 0.000 0.846 158 G HN 0.747 nan 8.290 nan 0.000 0.555 159 L N 1.891 123.169 121.223 0.091 0.000 2.042 159 L HA -0.190 4.150 4.340 0.001 0.000 0.210 159 L C 3.171 180.101 176.870 0.101 0.000 1.076 159 L CA 1.884 56.768 54.840 0.074 0.000 0.749 159 L CB -0.394 41.687 42.059 0.036 0.000 0.893 159 L HN 0.713 nan 8.230 nan 0.000 0.432 160 S N -1.906 113.863 115.700 0.116 0.000 2.402 160 S HA -0.137 4.333 4.470 0.001 0.000 0.229 160 S C 1.880 176.544 174.600 0.107 0.000 1.021 160 S CA 1.386 59.647 58.200 0.102 0.000 0.974 160 S CB -0.605 62.653 63.200 0.096 0.000 0.800 160 S HN 0.350 nan 8.310 nan 0.000 0.484 161 T N 3.124 117.766 114.554 0.145 0.000 2.737 161 T HA 0.154 4.505 4.350 0.001 0.000 0.265 161 T C 1.719 176.491 174.700 0.120 0.000 1.038 161 T CA 1.378 63.556 62.100 0.131 0.000 1.144 161 T CB -0.515 68.472 68.868 0.200 0.000 0.866 161 T HN 0.392 nan 8.240 nan 0.000 0.434 162 I N 1.327 121.979 120.570 0.138 0.000 2.423 162 I HA -0.164 4.007 4.170 0.001 0.000 0.254 162 I C 0.986 177.171 176.117 0.114 0.000 1.151 162 I CA 0.590 61.964 61.300 0.124 0.000 1.421 162 I CB -0.536 37.539 38.000 0.126 0.000 1.079 162 I HN 0.301 nan 8.210 nan 0.000 0.431 163 N N 0.879 119.641 118.700 0.104 0.000 2.746 163 N HA -0.141 4.599 4.740 0.001 0.000 0.250 163 N C -0.231 175.342 175.510 0.106 0.000 1.055 163 N CA 0.694 53.800 53.050 0.094 0.000 0.699 163 N CB -1.290 37.250 38.487 0.090 0.000 0.919 163 N HN 0.274 nan 8.380 nan 0.000 0.548 164 V N -1.923 118.050 119.914 0.099 0.000 3.096 164 V HA 0.732 4.853 4.120 0.001 0.000 0.306 164 V C 1.381 177.509 176.094 0.057 0.000 1.088 164 V CA -0.547 61.813 62.300 0.100 0.000 1.129 164 V CB 0.767 32.634 31.823 0.073 0.000 1.014 164 V HN 0.554 nan 8.190 nan 0.000 0.486 165 A N 2.341 125.183 122.820 0.037 0.000 2.520 165 A HA 0.281 4.601 4.320 0.001 0.000 0.235 165 A C 1.800 179.331 177.584 -0.088 0.000 1.065 165 A CA 0.692 52.714 52.037 -0.025 0.000 0.764 165 A CB -0.079 18.895 19.000 -0.044 0.000 1.002 165 A HN 1.715 nan 8.150 nan 0.000 0.502 166 S N 1.100 116.778 115.700 -0.037 0.000 2.392 166 S HA -0.284 4.186 4.470 0.001 0.000 0.232 166 S C 1.702 176.260 174.600 -0.070 0.000 1.041 166 S CA 2.342 60.521 58.200 -0.034 0.000 1.026 166 S CB -0.743 62.451 63.200 -0.009 0.000 0.845 166 S HN 0.881 nan 8.310 nan 0.000 0.465 167 Y N 1.327 121.480 120.300 -0.246 0.000 2.114 167 Y HA -0.156 4.394 4.550 0.001 0.000 0.282 167 Y C 2.033 177.757 175.900 -0.293 0.000 1.165 167 Y CA 2.091 60.020 58.100 -0.286 0.000 1.148 167 Y CB -0.264 37.932 38.460 -0.440 0.000 0.972 167 Y HN 0.292 nan 8.280 nan 0.000 0.504 168 I N 0.622 121.084 120.570 -0.180 0.000 2.353 168 I HA -0.212 3.959 4.170 0.001 0.000 0.248 168 I C 2.190 178.282 176.117 -0.042 0.000 1.119 168 I CA 1.406 62.654 61.300 -0.087 0.000 1.417 168 I CB -1.249 36.699 38.000 -0.087 0.000 1.078 168 I HN 0.413 nan 8.210 nan 0.000 0.421 169 E N 0.615 120.791 120.200 -0.040 0.000 2.031 169 E HA -0.199 4.152 4.350 0.001 0.000 0.193 169 E C 2.314 178.902 176.600 -0.020 0.000 0.994 169 E CA 1.072 57.486 56.400 0.023 0.000 0.800 169 E CB -0.100 29.609 29.700 0.015 0.000 0.752 169 E HN 0.472 nan 8.360 nan 0.000 0.447 170 R N 0.682 121.113 120.500 -0.115 0.000 2.081 170 R HA -0.163 4.178 4.340 0.001 0.000 0.235 170 R C 2.361 178.536 176.300 -0.208 0.000 1.131 170 R CA 1.376 57.379 56.100 -0.162 0.000 0.960 170 R CB -0.242 29.943 30.300 -0.191 0.000 0.856 170 R HN 0.071 nan 8.270 nan 0.000 0.436 171 E N 0.781 120.805 120.200 -0.295 0.000 2.072 171 E HA -0.174 4.177 4.350 0.001 0.000 0.191 171 E C 1.569 178.101 176.600 -0.114 0.000 0.985 171 E CA 1.026 57.259 56.400 -0.278 0.000 0.801 171 E CB -0.265 29.206 29.700 -0.381 0.000 0.750 171 E HN 0.201 nan 8.360 nan 0.000 0.452 172 F N 1.580 121.409 119.950 -0.202 0.000 2.102 172 F HA -0.167 4.360 4.527 0.001 0.000 0.298 172 F C 1.650 177.327 175.800 -0.204 0.000 1.105 172 F CA 1.987 59.862 58.000 -0.209 0.000 1.239 172 F CB -0.618 38.270 39.000 -0.187 0.000 0.991 172 F HN 0.028 nan 8.300 nan 0.000 0.474 173 D N -0.035 120.212 120.400 -0.255 0.000 2.133 173 D HA -0.218 4.422 4.640 0.001 0.000 0.195 173 D C 2.442 178.560 176.300 -0.304 0.000 0.997 173 D CA 1.371 55.178 54.000 -0.321 0.000 0.840 173 D CB -0.477 40.220 40.800 -0.170 0.000 0.947 173 D HN 0.297 nan 8.370 nan 0.000 0.452 174 R N 0.488 120.846 120.500 -0.236 0.000 2.073 174 R HA -0.119 4.221 4.340 0.001 0.000 0.234 174 R C 2.078 178.249 176.300 -0.215 0.000 1.134 174 R CA 1.658 57.637 56.100 -0.202 0.000 0.952 174 R CB 0.035 30.230 30.300 -0.176 0.000 0.850 174 R HN 0.257 nan 8.270 nan 0.000 0.433 175 V N -2.911 116.859 119.914 -0.240 0.000 3.506 175 V HA 0.300 4.420 4.120 0.001 0.000 0.263 175 V C 2.053 177.979 176.094 -0.280 0.000 1.203 175 V CA 0.864 63.036 62.300 -0.214 0.000 1.133 175 V CB 0.022 31.744 31.823 -0.168 0.000 0.802 175 V HN 0.292 nan 8.190 nan 0.000 0.459 176 A N 1.512 124.049 122.820 -0.472 0.000 1.908 176 A HA -0.046 4.274 4.320 0.001 0.000 0.218 176 A C 0.633 178.017 177.584 -0.333 0.000 1.181 176 A CA 2.267 53.941 52.037 -0.604 0.000 0.627 176 A CB -1.873 16.464 19.000 -1.104 0.000 0.818 176 A HN 0.608 nan 8.150 nan 0.000 0.445 177 P HA -0.108 nan 4.420 nan 0.000 0.222 177 P C 1.437 178.668 177.300 -0.115 0.000 1.147 177 P CA 1.832 64.823 63.100 -0.181 0.000 0.790 177 P CB -0.213 31.386 31.700 -0.168 0.000 0.780 178 T N -4.515 109.972 114.554 -0.112 0.000 3.100 178 T HA 0.121 4.471 4.350 0.001 0.000 0.253 178 T C 0.668 175.355 174.700 -0.023 0.000 1.118 178 T CA -0.006 62.057 62.100 -0.062 0.000 1.058 178 T CB -0.785 68.042 68.868 -0.068 0.000 0.953 178 T HN -0.074 nan 8.240 nan 0.000 0.515 179 L N 2.089 123.298 121.223 -0.023 0.000 2.439 179 L HA 0.221 4.561 4.340 0.001 0.000 0.269 179 L C 1.335 178.269 176.870 0.107 0.000 1.179 179 L CA -0.321 54.553 54.840 0.057 0.000 0.828 179 L CB 0.577 42.685 42.059 0.082 0.000 1.106 179 L HN 0.124 nan 8.230 nan 0.000 0.467 180 D N 1.121 121.611 120.400 0.150 0.000 2.149 180 D HA -0.019 4.622 4.640 0.001 0.000 0.201 180 D C -0.007 176.438 176.300 0.243 0.000 0.972 180 D CA 1.348 55.446 54.000 0.163 0.000 0.835 180 D CB 0.499 41.383 40.800 0.139 0.000 0.966 180 D HN 0.159 nan 8.370 nan 0.000 0.476 181 V N 1.375 121.454 119.914 0.276 0.000 2.733 181 V HA 0.328 4.448 4.120 0.001 0.000 0.306 181 V C -0.480 175.851 176.094 0.395 0.000 1.084 181 V CA -0.641 61.884 62.300 0.375 0.000 0.905 181 V CB 2.719 34.685 31.823 0.239 0.000 1.010 181 V HN -0.090 nan 8.190 nan 0.000 0.424 182 I N 3.889 124.726 120.570 0.445 0.000 2.354 182 I HA 0.668 4.839 4.170 0.001 0.000 0.286 182 I C 0.321 176.708 176.117 0.450 0.000 1.007 182 I CA -0.467 61.100 61.300 0.445 0.000 1.167 182 I CB 1.719 39.918 38.000 0.332 0.000 1.320 182 I HN 0.702 nan 8.210 nan 0.000 0.458 183 A N 8.375 131.428 122.820 0.389 0.000 2.412 183 A HA 0.642 4.963 4.320 0.001 0.000 0.334 183 A C -0.394 177.329 177.584 0.233 0.000 1.419 183 A CA -0.448 51.769 52.037 0.300 0.000 0.930 183 A CB 0.150 19.275 19.000 0.208 0.000 1.149 183 A HN 0.683 nan 8.150 nan 0.000 0.515 184 L N 3.169 124.532 121.223 0.235 0.000 2.331 184 L HA 0.166 4.506 4.340 0.001 0.000 0.278 184 L C 1.412 178.357 176.870 0.124 0.000 1.106 184 L CA -0.623 54.306 54.840 0.149 0.000 0.824 184 L CB 1.387 43.520 42.059 0.124 0.000 1.142 184 L HN 0.495 nan 8.230 nan 0.000 0.443 185 V N 1.488 121.398 119.914 -0.007 0.000 2.490 185 V HA -0.167 3.953 4.120 0.001 0.000 0.250 185 V C 1.063 177.156 176.094 -0.002 0.000 1.061 185 V CA 1.582 63.826 62.300 -0.093 0.000 1.064 185 V CB 0.023 31.656 31.823 -0.316 0.000 0.670 185 V HN 0.846 nan 8.190 nan 0.000 0.461 186 S N -2.140 113.510 115.700 -0.084 0.000 2.540 186 S HA 0.457 4.927 4.470 0.001 0.000 0.275 186 S C -2.346 172.103 174.600 -0.250 0.000 1.123 186 S CA -1.111 56.972 58.200 -0.194 0.000 0.907 186 S CB 2.123 65.301 63.200 -0.036 0.000 1.081 186 S HN -0.006 nan 8.310 nan 0.000 0.476 187 P HA 0.036 nan 4.420 nan 0.000 0.220 187 P C 1.210 178.445 177.300 -0.109 0.000 1.148 187 P CA 1.223 64.165 63.100 -0.264 0.000 0.803 187 P CB 0.005 31.518 31.700 -0.311 0.000 0.782 188 A N -1.094 121.691 122.820 -0.059 0.000 2.186 188 A HA -0.148 4.172 4.320 0.001 0.000 0.219 188 A C 1.966 179.612 177.584 0.103 0.000 1.159 188 A CA 1.342 53.405 52.037 0.043 0.000 0.680 188 A CB -1.286 17.780 19.000 0.110 0.000 0.787 188 A HN 0.187 nan 8.150 nan 0.000 0.467 189 M N -1.208 118.420 119.600 0.046 0.000 2.514 189 M HA 0.080 4.561 4.480 0.001 0.000 0.258 189 M C 2.278 178.628 176.300 0.084 0.000 1.119 189 M CA 0.740 56.067 55.300 0.046 0.000 1.111 189 M CB -0.079 32.464 32.600 -0.095 0.000 1.390 189 M HN 0.415 nan 8.290 nan 0.000 0.475 190 A N 0.870 123.731 122.820 0.068 0.000 2.019 190 A HA -0.028 4.292 4.320 0.001 0.000 0.219 190 A C 2.388 180.048 177.584 0.126 0.000 1.164 190 A CA 1.739 53.843 52.037 0.111 0.000 0.644 190 A CB -0.685 18.362 19.000 0.078 0.000 0.805 190 A HN 0.473 nan 8.150 nan 0.000 0.449 191 A N -0.066 122.811 122.820 0.096 0.000 1.940 191 A HA -0.186 4.135 4.320 0.001 0.000 0.219 191 A C 1.770 179.403 177.584 0.083 0.000 1.176 191 A CA 1.630 53.718 52.037 0.085 0.000 0.631 191 A CB -0.378 18.662 19.000 0.068 0.000 0.814 191 A HN 0.634 nan 8.150 nan 0.000 0.446 192 E N -0.683 119.578 120.200 0.102 0.000 2.463 192 E HA 0.183 4.534 4.350 0.001 0.000 0.193 192 E C -0.861 175.817 176.600 0.130 0.000 1.041 192 E CA -0.265 56.200 56.400 0.108 0.000 0.879 192 E CB 0.490 30.267 29.700 0.128 0.000 0.997 192 E HN 0.303 nan 8.360 nan 0.000 0.478 193 V N 2.489 122.474 119.914 0.119 0.000 2.350 193 V HA 0.052 4.173 4.120 0.001 0.000 0.276 193 V C 0.438 176.495 176.094 -0.061 0.000 1.028 193 V CA -0.631 61.719 62.300 0.083 0.000 0.860 193 V CB 1.395 33.307 31.823 0.149 0.000 0.990 193 V HN 0.049 nan 8.190 nan 0.000 0.453 194 V N 2.666 122.472 119.914 -0.179 0.000 2.056 194 V HA 0.680 4.800 4.120 0.001 0.000 0.267 194 V C 0.160 176.098 176.094 -0.260 0.000 1.535 194 V CA 0.384 62.568 62.300 -0.194 0.000 1.475 194 V CB -0.323 31.391 31.823 -0.182 0.000 1.441 194 V HN 0.765 nan 8.190 nan 0.000 0.500 195 S N 2.132 117.679 115.700 -0.255 0.000 2.636 195 S HA 0.684 5.155 4.470 0.001 0.000 0.268 195 S C 0.031 174.397 174.600 -0.391 0.000 1.159 195 S CA -0.492 57.535 58.200 -0.288 0.000 0.815 195 S CB 2.314 65.348 63.200 -0.277 0.000 1.130 195 S HN 0.640 nan 8.310 nan 0.000 0.471 196 R N -0.316 119.906 120.500 -0.463 0.000 3.718 196 R HA 0.204 4.544 4.340 0.001 0.000 0.136 196 R C 0.273 176.300 176.300 -0.456 0.000 0.698 196 R CA 0.119 55.718 56.100 -0.836 0.000 1.110 196 R CB -0.500 29.241 30.300 -0.931 0.000 1.594 196 R HN 0.507 nan 8.270 nan 0.000 0.490 197 D N 1.673 121.901 120.400 -0.287 0.000 2.310 197 D HA -0.089 4.552 4.640 0.001 0.000 0.212 197 D C 0.628 176.811 176.300 -0.194 0.000 0.965 197 D CA 1.060 54.958 54.000 -0.171 0.000 0.879 197 D CB -0.080 40.664 40.800 -0.093 0.000 0.921 197 D HN 0.297 nan 8.370 nan 0.000 0.510 198 N N -0.107 118.473 118.700 -0.200 0.000 2.234 198 N HA 0.014 4.754 4.740 0.001 0.000 0.227 198 N C -0.639 174.729 175.510 -0.236 0.000 1.151 198 N CA -0.155 52.842 53.050 -0.088 0.000 0.865 198 N CB 0.311 38.846 38.487 0.079 0.000 1.066 198 N HN -0.168 nan 8.380 nan 0.000 0.515 199 V N 1.433 121.053 119.914 -0.490 0.000 2.370 199 V HA 0.534 4.655 4.120 0.001 0.000 0.283 199 V C -0.863 174.950 176.094 -0.469 0.000 1.023 199 V CA -0.511 61.658 62.300 -0.218 0.000 0.857 199 V CB 0.256 32.125 31.823 0.076 0.000 0.985 199 V HN 0.013 nan 8.190 nan 0.000 0.443 200 F N 1.911 121.974 119.950 0.188 0.000 2.603 200 F HA 0.511 5.039 4.527 0.001 0.000 0.317 200 F C 0.050 175.962 175.800 0.187 0.000 1.066 200 F CA -0.802 57.297 58.000 0.164 0.000 0.941 200 F CB 1.682 40.765 39.000 0.139 0.000 1.291 200 F HN 0.502 nan 8.300 nan 0.000 0.472 201 H N 1.326 120.535 119.070 0.231 0.000 2.504 201 H HA 0.727 5.284 4.556 0.001 0.000 0.322 201 H C -1.895 173.492 175.328 0.099 0.000 1.055 201 H CA -0.661 55.458 56.048 0.118 0.000 1.231 201 H CB 1.318 31.114 29.762 0.057 0.000 1.417 201 H HN 0.442 nan 8.280 nan 0.000 0.472 202 V N 5.218 125.173 119.914 0.068 0.000 2.498 202 V HA 0.242 4.362 4.120 0.001 0.000 0.283 202 V C 0.900 176.967 176.094 -0.045 0.000 1.015 202 V CA -0.687 61.544 62.300 -0.116 0.000 0.867 202 V CB 1.176 32.986 31.823 -0.022 0.000 1.025 202 V HN 1.021 nan 8.190 nan 0.000 0.441 203 G N 2.203 110.922 108.800 -0.135 0.000 2.647 203 G HA2 0.192 4.153 3.960 0.001 0.000 0.234 203 G HA3 0.192 4.153 3.960 0.001 0.000 0.234 203 G C 0.038 174.884 174.900 -0.090 0.000 1.252 203 G CA 0.110 45.169 45.100 -0.069 0.000 0.846 203 G HN 1.044 nan 8.290 nan 0.000 0.589 204 H N -1.037 118.012 119.070 -0.035 0.000 1.968 204 H HA -0.110 4.446 4.556 0.001 0.000 0.286 204 H C 1.296 176.249 175.328 -0.624 0.000 0.738 204 H CA 0.118 56.027 56.048 -0.231 0.000 0.958 204 H CB -0.497 29.224 29.762 -0.068 0.000 1.448 204 H HN 0.787 nan 8.280 nan 0.000 0.242 205 G N 1.642 109.616 108.800 -1.376 0.000 2.547 205 G HA2 0.530 4.490 3.960 0.001 0.000 0.291 205 G HA3 0.530 4.490 3.960 0.001 0.000 0.291 205 G C 0.120 173.960 174.900 -1.767 0.000 1.211 205 G CA -0.169 43.904 45.100 -1.711 0.000 0.950 205 G HN 0.686 nan 8.290 nan 0.000 0.504 206 V N -2.218 116.970 119.914 -1.211 0.000 3.001 206 V HA 0.562 4.682 4.120 0.001 0.000 0.314 206 V C -0.455 175.345 176.094 -0.491 0.000 1.099 206 V CA -1.310 60.530 62.300 -0.767 0.000 0.989 206 V CB 1.828 33.319 31.823 -0.555 0.000 1.040 206 V HN 0.629 nan 8.190 nan 0.000 0.434 207 D N 1.106 121.418 120.400 -0.145 0.000 2.533 207 D HA 0.099 4.740 4.640 0.001 0.000 0.236 207 D C 1.369 177.587 176.300 -0.136 0.000 1.137 207 D CA 1.158 55.184 54.000 0.043 0.000 0.867 207 D CB 0.535 41.366 40.800 0.051 0.000 1.170 207 D HN 1.026 nan 8.370 nan 0.000 0.474 208 H N 1.363 120.422 119.070 -0.019 0.000 2.518 208 H HA -0.091 4.465 4.556 0.001 0.000 0.289 208 H C 0.533 175.836 175.328 -0.041 0.000 1.051 208 H CA 1.156 57.181 56.048 -0.038 0.000 1.280 208 H CB -0.031 29.741 29.762 0.017 0.000 1.380 208 H HN 0.268 nan 8.280 nan 0.000 0.566 209 N N 0.739 119.048 118.700 -0.652 0.000 2.338 209 N HA 0.035 4.775 4.740 0.001 0.000 0.251 209 N C 0.894 176.264 175.510 -0.234 0.000 1.199 209 N CA -0.250 52.547 53.050 -0.422 0.000 0.879 209 N CB -0.368 37.811 38.487 -0.513 0.000 1.159 209 N HN 0.375 nan 8.380 nan 0.000 0.514 210 L N 0.095 121.129 121.223 -0.315 0.000 2.043 210 L HA -0.199 4.142 4.340 0.001 0.000 0.212 210 L C 1.425 178.317 176.870 0.036 0.000 1.075 210 L CA 1.664 56.324 54.840 -0.301 0.000 0.752 210 L CB -0.227 41.232 42.059 -0.999 0.000 0.891 210 L HN 0.168 nan 8.230 nan 0.000 0.432 211 D N -0.854 119.612 120.400 0.110 0.000 2.178 211 D HA -0.164 4.476 4.640 0.001 0.000 0.201 211 D C 2.291 178.697 176.300 0.177 0.000 0.980 211 D CA 0.908 55.100 54.000 0.320 0.000 0.842 211 D CB 0.066 41.046 40.800 0.301 0.000 0.948 211 D HN 0.356 nan 8.370 nan 0.000 0.472 212 Q N 0.007 119.852 119.800 0.074 0.000 2.187 212 Q HA 0.034 4.374 4.340 0.001 0.000 0.199 212 Q C 2.536 178.550 176.000 0.022 0.000 0.957 212 Q CA 0.269 56.094 55.803 0.038 0.000 0.857 212 Q CB -0.271 28.470 28.738 0.004 0.000 0.929 212 Q HN 0.379 nan 8.270 nan 0.000 0.453 213 L N -0.139 121.092 121.223 0.012 0.000 2.291 213 L HA -0.001 4.339 4.340 0.001 0.000 0.214 213 L C 2.026 178.891 176.870 -0.008 0.000 1.120 213 L CA 0.921 55.754 54.840 -0.011 0.000 0.799 213 L CB -0.508 41.531 42.059 -0.033 0.000 0.925 213 L HN 0.219 nan 8.230 nan 0.000 0.446 214 G N -1.207 107.620 108.800 0.046 0.000 2.848 214 G HA2 -0.074 3.887 3.960 0.001 0.000 0.208 214 G HA3 -0.074 3.887 3.960 0.001 0.000 0.208 214 G C 0.187 175.118 174.900 0.052 0.000 1.152 214 G CA 0.112 45.185 45.100 -0.045 0.000 0.789 214 G HN 0.205 nan 8.290 nan 0.000 0.531 215 D N 0.062 120.500 120.400 0.063 0.000 2.256 215 D HA 0.332 4.973 4.640 0.001 0.000 0.246 215 D C -1.409 174.855 176.300 -0.059 0.000 1.042 215 D CA -0.998 53.045 54.000 0.073 0.000 0.841 215 D CB 2.671 43.517 40.800 0.076 0.000 1.223 215 D HN 0.009 nan 8.370 nan 0.000 0.470 216 P HA 0.150 nan 4.420 nan 0.000 0.322 216 P C -0.457 176.587 177.300 -0.426 0.000 1.414 216 P CA -0.141 62.819 63.100 -0.232 0.000 0.876 216 P CB 0.474 32.035 31.700 -0.232 0.000 2.176 217 S N -0.210 115.155 115.700 -0.557 0.000 2.720 217 S HA 0.387 4.857 4.470 0.001 0.000 0.278 217 S C -2.128 172.098 174.600 -0.622 0.000 1.172 217 S CA -1.134 56.597 58.200 -0.782 0.000 1.019 217 S CB 1.096 63.736 63.200 -0.934 0.000 1.049 217 S HN 0.159 nan 8.310 nan 0.000 0.483 218 P HA 0.091 nan 4.420 nan 0.000 0.233 218 P C -0.496 176.391 177.300 -0.689 0.000 1.167 218 P CA 0.433 62.975 63.100 -0.930 0.000 0.770 218 P CB -0.031 30.609 31.700 -1.767 0.000 0.837 219 Y N 0.532 120.518 120.300 -0.524 0.000 2.361 219 Y HA 0.553 5.103 4.550 0.001 0.000 0.332 219 Y C 1.253 176.959 175.900 -0.323 0.000 1.101 219 Y CA -1.637 56.123 58.100 -0.567 0.000 1.137 219 Y CB 0.647 38.609 38.460 -0.829 0.000 1.207 219 Y HN -0.035 nan 8.280 nan 0.000 0.463 220 A N 2.451 125.267 122.820 -0.007 0.000 2.336 220 A HA 0.389 4.709 4.320 0.001 0.000 0.278 220 A C 0.184 177.881 177.584 0.190 0.000 1.371 220 A CA -0.708 51.374 52.037 0.075 0.000 0.842 220 A CB -0.030 19.030 19.000 0.100 0.000 1.363 220 A HN 0.715 nan 8.150 nan 0.000 0.517 221 E N -0.483 119.807 120.200 0.150 0.000 2.422 221 E HA 0.419 4.770 4.350 0.001 0.000 0.260 221 E C 0.451 177.162 176.600 0.185 0.000 1.108 221 E CA 0.481 56.963 56.400 0.138 0.000 0.943 221 E CB -0.335 29.405 29.700 0.068 0.000 0.961 221 E HN 1.972 nan 8.360 nan 0.000 0.443 222 G N 0.219 109.050 108.800 0.051 0.000 2.384 222 G HA2 -0.023 3.938 3.960 0.001 0.000 0.668 222 G HA3 -0.023 3.938 3.960 0.001 0.000 0.668 222 G C -0.969 173.724 174.900 -0.346 0.000 1.280 222 G CA -0.514 44.498 45.100 -0.146 0.000 0.992 222 G HN 0.503 nan 8.290 nan 0.000 0.512 223 I N 1.779 122.055 120.570 -0.490 0.000 2.339 223 I HA 0.405 4.575 4.170 0.001 0.000 0.290 223 I C -0.214 175.448 176.117 -0.759 0.000 0.994 223 I CA -0.774 60.264 61.300 -0.438 0.000 1.191 223 I CB 1.488 39.359 38.000 -0.216 0.000 1.343 223 I HN 0.388 nan 8.210 nan 0.000 0.458 224 H N 5.264 124.114 119.070 -0.368 0.000 2.505 224 H HA 0.697 5.253 4.556 0.001 0.000 0.338 224 H C -0.567 174.398 175.328 -0.604 0.000 1.057 224 H CA -0.678 55.046 56.048 -0.541 0.000 1.202 224 H CB 2.045 31.110 29.762 -1.162 0.000 1.466 224 H HN 0.676 nan 8.280 nan 0.000 0.499 225 A N 2.779 125.256 122.820 -0.571 0.000 2.356 225 A HA 0.607 4.927 4.320 0.001 0.000 0.323 225 A C -0.755 176.673 177.584 -0.260 0.000 1.119 225 A CA -0.732 50.796 52.037 -0.848 0.000 0.790 225 A CB 1.904 19.944 19.000 -1.600 0.000 1.273 225 A HN 0.444 nan 8.150 nan 0.000 0.452 226 V N 0.576 120.368 119.914 -0.204 0.000 2.789 226 V HA 0.823 4.944 4.120 0.001 0.000 0.311 226 V C -0.384 175.771 176.094 0.103 0.000 1.073 226 V CA 0.101 62.439 62.300 0.063 0.000 0.921 226 V CB 1.746 33.629 31.823 0.099 0.000 1.009 226 V HN 1.744 nan 8.190 nan 0.000 0.426 227 A N 5.550 128.511 122.820 0.235 0.000 2.356 227 A HA 0.884 5.205 4.320 0.001 0.000 0.310 227 A C -1.412 176.320 177.584 0.247 0.000 1.075 227 A CA -0.525 51.712 52.037 0.332 0.000 0.746 227 A CB 1.948 21.259 19.000 0.519 0.000 1.221 227 A HN 1.090 nan 8.150 nan 0.000 0.443 228 V N 1.339 121.419 119.914 0.278 0.000 2.531 228 V HA 0.887 5.007 4.120 0.001 0.000 0.301 228 V C 0.471 176.648 176.094 0.138 0.000 1.034 228 V CA 0.364 62.754 62.300 0.151 0.000 0.865 228 V CB 0.854 32.757 31.823 0.134 0.000 0.995 228 V HN 2.246 nan 8.190 nan 0.000 0.424 229 G N 3.487 112.346 108.800 0.098 0.000 2.539 229 G HA2 0.111 4.072 3.960 0.001 0.000 0.686 229 G HA3 0.111 4.072 3.960 0.001 0.000 0.686 229 G C 0.100 175.095 174.900 0.158 0.000 1.258 229 G CA -0.066 45.102 45.100 0.114 0.000 0.846 229 G HN 1.449 nan 8.290 nan 0.000 0.647 230 S N -0.336 115.455 115.700 0.151 0.000 2.539 230 S HA 0.371 4.842 4.470 0.001 0.000 0.221 230 S C 1.162 175.939 174.600 0.295 0.000 0.987 230 S CA 0.910 59.219 58.200 0.182 0.000 0.929 230 S CB 0.249 63.499 63.200 0.084 0.000 0.832 230 S HN 1.485 nan 8.310 nan 0.000 0.492 231 M N 3.338 123.120 119.600 0.304 0.000 2.474 231 M HA 0.286 4.766 4.480 0.001 0.000 0.352 231 M C 0.318 176.882 176.300 0.440 0.000 1.690 231 M CA -0.384 55.127 55.300 0.351 0.000 1.112 231 M CB -1.158 31.688 32.600 0.409 0.000 2.062 231 M HN 0.409 nan 8.290 nan 0.000 0.461 232 L N 4.357 125.786 121.223 0.344 0.000 3.839 232 L HA -0.272 4.069 4.340 0.001 0.000 0.416 232 L C -0.180 176.883 176.870 0.322 0.000 1.195 232 L CA -0.000 55.032 54.840 0.321 0.000 0.946 232 L CB -2.238 40.028 42.059 0.344 0.000 1.891 232 L HN 0.717 nan 8.230 nan 0.000 0.963 233 F N 2.095 122.172 119.950 0.212 0.000 2.593 233 F HA 0.086 4.613 4.527 0.001 0.000 0.393 233 F C 0.981 176.921 175.800 0.233 0.000 1.037 233 F CA 0.204 58.329 58.000 0.208 0.000 1.195 233 F CB 0.323 39.436 39.000 0.188 0.000 1.034 233 F HN 0.053 nan 8.300 nan 0.000 0.552 234 D N 9.393 129.454 120.400 -0.565 0.000 2.467 234 D HA 0.264 4.905 4.640 0.001 0.000 0.220 234 D C -1.731 174.336 176.300 -0.388 0.000 1.103 234 D CA -2.529 51.301 54.000 -0.284 0.000 0.886 234 D CB 1.243 42.004 40.800 -0.065 0.000 1.025 234 D HN 0.247 nan 8.370 nan 0.000 0.514 235 P HA -0.153 nan 4.420 nan 0.000 0.220 235 P C 1.159 178.543 177.300 0.141 0.000 1.148 235 P CA 0.691 63.953 63.100 0.270 0.000 0.803 235 P CB 0.464 32.332 31.700 0.281 0.000 0.782 236 E N -0.786 119.398 120.200 -0.026 0.000 2.204 236 E HA -0.194 4.157 4.350 0.001 0.000 0.195 236 E C 1.814 178.349 176.600 -0.109 0.000 0.990 236 E CA 0.500 56.856 56.400 -0.073 0.000 0.821 236 E CB -0.521 29.161 29.700 -0.029 0.000 0.750 236 E HN 0.118 nan 8.360 nan 0.000 0.477 237 F N 0.215 120.005 119.950 -0.268 0.000 2.095 237 F HA -0.240 4.288 4.527 0.001 0.000 0.298 237 F C 1.526 176.943 175.800 -0.638 0.000 1.104 237 F CA 1.685 59.369 58.000 -0.527 0.000 1.232 237 F CB -0.277 38.266 39.000 -0.760 0.000 0.987 237 F HN 0.010 nan 8.300 nan 0.000 0.475 238 F N -0.575 119.287 119.950 -0.146 0.000 2.293 238 F HA -0.053 4.474 4.527 0.001 0.000 0.297 238 F C 2.241 177.843 175.800 -0.329 0.000 1.089 238 F CA 0.893 58.672 58.000 -0.368 0.000 1.377 238 F CB -1.133 37.594 39.000 -0.454 0.000 1.051 238 F HN -0.215 nan 8.300 nan 0.000 0.511 239 V N -0.374 119.564 119.914 0.040 0.000 2.252 239 V HA -0.297 3.823 4.120 0.001 0.000 0.249 239 V C 2.286 178.301 176.094 -0.131 0.000 1.056 239 V CA 1.866 64.177 62.300 0.019 0.000 1.022 239 V CB -0.829 30.976 31.823 -0.031 0.000 0.641 239 V HN 0.172 nan 8.190 nan 0.000 0.445 240 V N -0.099 119.660 119.914 -0.259 0.000 2.323 240 V HA -0.166 3.954 4.120 0.001 0.000 0.244 240 V C 2.621 178.504 176.094 -0.353 0.000 1.041 240 V CA 1.895 64.023 62.300 -0.287 0.000 1.025 240 V CB -0.953 30.672 31.823 -0.330 0.000 0.656 240 V HN 0.554 nan 8.190 nan 0.000 0.451 241 A N 0.603 123.046 122.820 -0.628 0.000 1.929 241 A HA -0.159 4.162 4.320 0.001 0.000 0.216 241 A C 2.529 179.895 177.584 -0.364 0.000 1.176 241 A CA 1.978 53.668 52.037 -0.579 0.000 0.628 241 A CB -0.614 17.688 19.000 -1.163 0.000 0.816 241 A HN 0.659 nan 8.150 nan 0.000 0.444 242 S N 0.132 115.507 115.700 -0.541 0.000 2.371 242 S HA -0.165 4.305 4.470 0.001 0.000 0.224 242 S C 1.904 176.499 174.600 -0.009 0.000 1.029 242 S CA 1.560 59.613 58.200 -0.246 0.000 0.978 242 S CB -0.280 62.807 63.200 -0.188 0.000 0.833 242 S HN 0.470 nan 8.310 nan 0.000 0.466 243 K N 2.447 122.807 120.400 -0.067 0.000 2.026 243 K HA 0.185 4.506 4.320 0.001 0.000 0.208 243 K C 2.098 178.650 176.600 -0.079 0.000 1.048 243 K CA 1.452 57.710 56.287 -0.048 0.000 0.929 243 K CB -1.007 31.455 32.500 -0.062 0.000 0.713 243 K HN 0.404 nan 8.250 nan 0.000 0.439 244 A N -0.739 122.006 122.820 -0.124 0.000 2.066 244 A HA 0.093 4.414 4.320 0.001 0.000 0.218 244 A C 0.347 177.572 177.584 -0.598 0.000 1.157 244 A CA 0.685 52.518 52.037 -0.340 0.000 0.670 244 A CB -0.258 18.531 19.000 -0.351 0.000 0.804 244 A HN 0.288 nan 8.150 nan 0.000 0.453 245 F N -0.575 119.411 119.950 0.060 0.000 2.584 245 F HA 0.300 4.828 4.527 0.000 0.000 0.328 245 F C -1.754 174.144 175.800 0.163 0.000 1.407 245 F CA -1.856 56.227 58.000 0.139 0.000 1.145 245 F CB 1.443 40.600 39.000 0.261 0.000 1.440 245 F HN 0.036 nan 8.300 nan 0.000 0.580 246 P HA -0.238 nan 4.420 nan 0.000 0.221 246 P C 1.338 178.704 177.300 0.110 0.000 1.145 246 P CA 1.336 64.509 63.100 0.121 0.000 0.795 246 P CB 0.261 31.987 31.700 0.044 0.000 0.775 247 Q N 0.089 119.953 119.800 0.107 0.000 2.432 247 Q HA 0.033 4.374 4.340 0.001 0.000 0.205 247 Q C 0.343 176.340 176.000 -0.005 0.000 0.945 247 Q CA 0.631 56.463 55.803 0.049 0.000 0.924 247 Q CB -0.658 28.106 28.738 0.044 0.000 1.016 247 Q HN 0.077 nan 8.270 nan 0.000 0.503 248 V N 2.542 122.481 119.914 0.041 0.000 2.439 248 V HA 0.257 4.378 4.120 0.001 0.000 0.282 248 V C 0.047 175.999 176.094 -0.237 0.000 1.039 248 V CA -0.425 61.751 62.300 -0.205 0.000 0.913 248 V CB 1.517 33.123 31.823 -0.362 0.000 0.983 248 V HN 0.120 nan 8.190 nan 0.000 0.460 249 T N 5.786 120.119 114.554 -0.369 0.000 2.743 249 T HA 0.527 4.877 4.350 0.001 0.000 0.293 249 T C -0.471 173.985 174.700 -0.407 0.000 0.945 249 T CA 0.072 62.028 62.100 -0.242 0.000 1.030 249 T CB 0.060 68.867 68.868 -0.102 0.000 0.912 249 T HN 0.312 nan 8.240 nan 0.000 0.483 250 F N 2.620 122.474 119.950 -0.160 0.000 2.405 250 F HA 0.310 4.837 4.527 0.001 0.000 0.355 250 F C 0.824 176.496 175.800 -0.213 0.000 1.121 250 F CA -0.875 57.079 58.000 -0.078 0.000 1.112 250 F CB 0.588 39.650 39.000 0.102 0.000 1.126 250 F HN 0.582 nan 8.300 nan 0.000 0.481 251 H N 2.212 121.406 119.070 0.208 0.000 2.641 251 H HA 0.442 4.999 4.556 0.001 0.000 0.295 251 H C -0.712 174.707 175.328 0.152 0.000 1.070 251 H CA -0.543 55.685 56.048 0.300 0.000 1.257 251 H CB 0.940 30.932 29.762 0.383 0.000 1.393 251 H HN 0.305 nan 8.280 nan 0.000 0.464 252 V N 6.303 126.308 119.914 0.151 0.000 2.311 252 V HA 0.241 4.362 4.120 0.001 0.000 0.275 252 V C 0.075 176.204 176.094 0.058 0.000 1.022 252 V CA -0.398 61.856 62.300 -0.076 0.000 0.830 252 V CB 0.197 31.771 31.823 -0.414 0.000 1.012 252 V HN 0.673 nan 8.190 nan 0.000 0.452 253 I N 3.626 124.196 120.570 -0.000 0.000 2.378 253 I HA 0.555 4.725 4.170 0.001 0.000 0.291 253 I C 1.179 177.248 176.117 -0.079 0.000 0.992 253 I CA -0.532 60.730 61.300 -0.062 0.000 1.154 253 I CB 1.671 39.528 38.000 -0.239 0.000 1.315 253 I HN 0.765 nan 8.210 nan 0.000 0.448 254 G N 4.175 112.925 108.800 -0.083 0.000 2.366 254 G HA2 -0.304 3.657 3.960 0.001 0.000 0.299 254 G HA3 -0.304 3.657 3.960 0.001 0.000 0.299 254 G C 0.854 175.663 174.900 -0.152 0.000 1.020 254 G CA 0.719 45.765 45.100 -0.089 0.000 1.026 254 G HN 0.854 nan 8.290 nan 0.000 0.512 255 S N -1.147 114.353 115.700 -0.333 0.000 2.561 255 S HA 0.338 4.808 4.470 0.001 0.000 0.225 255 S C 2.307 176.630 174.600 -0.462 0.000 0.977 255 S CA 1.130 58.885 58.200 -0.741 0.000 0.926 255 S CB 0.077 62.217 63.200 -1.766 0.000 0.769 255 S HN 2.366 nan 8.310 nan 0.000 0.533 256 G N 1.209 109.878 108.800 -0.219 0.000 2.184 256 G HA2 -0.302 3.659 3.960 0.001 0.000 0.264 256 G HA3 -0.302 3.659 3.960 0.001 0.000 0.264 256 G C -0.040 174.813 174.900 -0.078 0.000 0.975 256 G CA 0.735 45.780 45.100 -0.092 0.000 0.642 256 G HN 0.933 nan 8.290 nan 0.000 0.536 257 M N -2.180 117.334 119.600 -0.143 0.000 2.779 257 M HA 0.821 5.301 4.480 0.001 0.000 0.277 257 M C 0.670 176.931 176.300 -0.065 0.000 1.284 257 M CA -0.459 54.806 55.300 -0.058 0.000 0.801 257 M CB 0.908 33.526 32.600 0.031 0.000 1.712 257 M HN 0.513 nan 8.290 nan 0.000 0.453 258 G N 0.048 108.832 108.800 -0.026 0.000 2.773 258 G HA2 0.478 4.438 3.960 0.001 0.000 0.186 258 G HA3 0.478 4.438 3.960 0.001 0.000 0.186 258 G C -1.046 173.853 174.900 -0.002 0.000 1.411 258 G CA -0.884 44.202 45.100 -0.024 0.000 1.054 258 G HN 0.757 nan 8.290 nan 0.000 0.579 259 R N 0.694 121.179 120.500 -0.025 0.000 2.308 259 R HA 0.080 4.421 4.340 0.001 0.000 0.325 259 R C -0.160 175.993 176.300 -0.244 0.000 1.161 259 R CA -0.430 55.648 56.100 -0.036 0.000 1.022 259 R CB -0.523 29.789 30.300 0.021 0.000 1.091 259 R HN 0.637 nan 8.270 nan 0.000 0.497 260 H N 6.286 124.892 119.070 -0.773 0.000 3.064 260 H HA 0.003 4.559 4.556 0.001 0.000 0.329 260 H C -1.562 173.478 175.328 -0.481 0.000 1.020 260 H CA -0.957 54.662 56.048 -0.715 0.000 1.402 260 H CB 1.496 30.624 29.762 -1.057 0.000 1.379 260 H HN 0.482 nan 8.280 nan 0.000 0.594 261 P HA -0.076 nan 4.420 nan 0.000 0.228 261 P C 1.215 178.547 177.300 0.054 0.000 1.151 261 P CA 1.253 64.267 63.100 -0.142 0.000 0.770 261 P CB -0.054 31.534 31.700 -0.187 0.000 0.786 262 G N -1.468 107.529 108.800 0.328 0.000 2.511 262 G HA2 -0.125 3.835 3.960 0.001 0.000 0.217 262 G HA3 -0.125 3.835 3.960 0.001 0.000 0.217 262 G C 0.313 175.389 174.900 0.292 0.000 1.133 262 G CA -0.045 45.237 45.100 0.304 0.000 0.792 262 G HN 0.128 nan 8.290 nan 0.000 0.539 263 Y N 1.693 122.099 120.300 0.176 0.000 2.717 263 Y HA 0.322 4.873 4.550 0.001 0.000 0.330 263 Y C 1.437 177.373 175.900 0.060 0.000 1.217 263 Y CA -0.786 57.371 58.100 0.095 0.000 1.506 263 Y CB -0.262 38.260 38.460 0.103 0.000 1.268 263 Y HN 0.070 nan 8.280 nan 0.000 0.561 264 G N 2.489 111.400 108.800 0.185 0.000 2.699 264 G HA2 -0.017 3.943 3.960 0.001 0.000 0.246 264 G HA3 -0.017 3.943 3.960 0.001 0.000 0.246 264 G C 0.457 175.428 174.900 0.118 0.000 1.219 264 G CA -0.491 44.679 45.100 0.116 0.000 0.866 264 G HN 0.622 nan 8.290 nan 0.000 0.572 265 D N -0.180 120.271 120.400 0.086 0.000 2.312 265 D HA -0.108 4.532 4.640 0.001 0.000 0.211 265 D C 2.036 178.375 176.300 0.065 0.000 0.964 265 D CA 0.667 54.708 54.000 0.069 0.000 0.877 265 D CB 0.069 40.899 40.800 0.050 0.000 0.924 265 D HN 0.519 nan 8.370 nan 0.000 0.515 266 N N 0.596 119.349 118.700 0.089 0.000 2.515 266 N HA -0.067 4.674 4.740 0.001 0.000 0.191 266 N C -0.068 175.518 175.510 0.127 0.000 1.182 266 N CA 0.108 53.223 53.050 0.108 0.000 0.879 266 N CB 0.064 38.649 38.487 0.163 0.000 0.984 266 N HN -0.059 nan 8.380 nan 0.000 0.453 267 V N 1.823 121.784 119.914 0.079 0.000 2.394 267 V HA 0.366 4.486 4.120 0.001 0.000 0.282 267 V C 0.315 176.374 176.094 -0.058 0.000 1.031 267 V CA -0.773 61.527 62.300 0.000 0.000 0.881 267 V CB 1.494 33.224 31.823 -0.155 0.000 0.982 267 V HN 0.069 nan 8.190 nan 0.000 0.451 268 I N 5.127 125.609 120.570 -0.145 0.000 2.354 268 I HA 0.445 4.615 4.170 0.001 0.000 0.292 268 I C -0.508 175.450 176.117 -0.264 0.000 0.989 268 I CA -0.719 60.439 61.300 -0.236 0.000 1.188 268 I CB 1.818 39.647 38.000 -0.284 0.000 1.342 268 I HN 0.260 nan 8.210 nan 0.000 0.457 269 V N 7.169 126.919 119.914 -0.273 0.000 2.398 269 V HA 0.377 4.497 4.120 0.001 0.000 0.286 269 V C -0.711 175.220 176.094 -0.270 0.000 1.026 269 V CA -0.537 61.674 62.300 -0.148 0.000 0.868 269 V CB 1.165 32.996 31.823 0.014 0.000 0.982 269 V HN 0.433 nan 8.190 nan 0.000 0.443 270 Y N 2.015 122.267 120.300 -0.080 0.000 2.509 270 Y HA 0.701 5.251 4.550 0.001 0.000 0.341 270 Y C 1.023 176.862 175.900 -0.101 0.000 1.038 270 Y CA -0.435 57.609 58.100 -0.093 0.000 1.089 270 Y CB 1.668 40.033 38.460 -0.158 0.000 1.241 270 Y HN 0.737 nan 8.280 nan 0.000 0.468 271 G N 0.517 109.365 108.800 0.079 0.000 2.683 271 G HA2 0.124 4.085 3.960 0.001 0.000 0.260 271 G HA3 0.124 4.085 3.960 0.001 0.000 0.260 271 G C -0.578 174.320 174.900 -0.004 0.000 1.238 271 G CA -0.669 44.439 45.100 0.014 0.000 0.934 271 G HN 0.691 nan 8.290 nan 0.000 0.534 272 E N -0.744 119.439 120.200 -0.028 0.000 2.502 272 E HA 0.086 4.436 4.350 0.001 0.000 0.261 272 E C -0.002 176.574 176.600 -0.040 0.000 0.974 272 E CA 0.684 57.061 56.400 -0.038 0.000 0.936 272 E CB 0.507 30.184 29.700 -0.039 0.000 0.926 272 E HN 0.320 nan 8.360 nan 0.000 0.459 273 M N 2.818 122.385 119.600 -0.055 0.000 2.464 273 M HA 0.235 4.716 4.480 0.001 0.000 0.308 273 M C -1.015 175.265 176.300 -0.034 0.000 1.127 273 M CA -1.002 54.259 55.300 -0.065 0.000 0.913 273 M CB 1.291 33.806 32.600 -0.142 0.000 1.689 273 M HN 0.097 nan 8.290 nan 0.000 0.445 274 K N 2.567 122.955 120.400 -0.021 0.000 2.484 274 K HA -0.064 4.257 4.320 0.001 0.000 0.280 274 K C 0.639 177.265 176.600 0.045 0.000 1.013 274 K CA 0.481 56.774 56.287 0.010 0.000 1.029 274 K CB 0.165 32.667 32.500 0.003 0.000 0.902 274 K HN 0.791 nan 8.250 nan 0.000 0.481 275 H N 3.164 122.240 119.070 0.011 0.000 2.272 275 H HA -0.289 4.267 4.556 0.001 0.000 0.289 275 H C 1.585 176.941 175.328 0.047 0.000 1.100 275 H CA 3.044 59.126 56.048 0.057 0.000 1.209 275 H CB 0.104 29.957 29.762 0.151 0.000 1.348 275 H HN 0.735 nan 8.280 nan 0.000 0.481 276 A N -0.083 122.732 122.820 -0.009 0.000 1.978 276 A HA -0.239 4.082 4.320 0.001 0.000 0.220 276 A C 2.379 179.904 177.584 -0.097 0.000 1.170 276 A CA 1.862 53.854 52.037 -0.075 0.000 0.636 276 A CB -0.695 18.320 19.000 0.026 0.000 0.810 276 A HN 0.745 nan 8.150 nan 0.000 0.448 277 Q N -0.415 119.351 119.800 -0.058 0.000 2.331 277 Q HA -0.102 4.239 4.340 0.001 0.000 0.203 277 Q C 1.972 177.981 176.000 0.015 0.000 0.944 277 Q CA 1.516 57.303 55.803 -0.025 0.000 0.892 277 Q CB -0.183 28.553 28.738 -0.004 0.000 0.983 277 Q HN 0.801 nan 8.270 nan 0.000 0.482 278 T N -1.184 113.337 114.554 -0.054 0.000 2.962 278 T HA -0.073 4.277 4.350 0.001 0.000 0.270 278 T C 1.754 176.461 174.700 0.011 0.000 1.088 278 T CA 0.548 62.633 62.100 -0.025 0.000 1.127 278 T CB -0.143 68.681 68.868 -0.075 0.000 0.883 278 T HN 0.173 nan 8.240 nan 0.000 0.493 279 I N 2.308 122.823 120.570 -0.091 0.000 2.226 279 I HA 0.011 4.182 4.170 0.001 0.000 0.245 279 I C 2.944 178.963 176.117 -0.164 0.000 1.100 279 I CA 1.364 62.609 61.300 -0.091 0.000 1.374 279 I CB -1.957 35.994 38.000 -0.081 0.000 1.057 279 I HN 0.455 nan 8.210 nan 0.000 0.413 280 G N -0.034 108.656 108.800 -0.183 0.000 2.422 280 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 280 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 280 G C 1.633 176.290 174.900 -0.406 0.000 1.146 280 G CA 0.431 45.372 45.100 -0.265 0.000 0.769 280 G HN 0.306 nan 8.290 nan 0.000 0.547 281 Y N 0.417 120.487 120.300 -0.384 0.000 2.274 281 Y HA 0.026 4.576 4.550 0.001 0.000 0.290 281 Y C 2.621 178.455 175.900 -0.110 0.000 1.145 281 Y CA 0.793 58.647 58.100 -0.409 0.000 1.203 281 Y CB -0.091 38.163 38.460 -0.344 0.000 0.984 281 Y HN 0.167 nan 8.280 nan 0.000 0.533 282 I N -0.374 120.199 120.570 0.004 0.000 2.296 282 I HA -0.217 3.953 4.170 0.001 0.000 0.242 282 I C 2.462 178.431 176.117 -0.245 0.000 1.087 282 I CA 1.052 62.354 61.300 0.004 0.000 1.393 282 I CB -0.330 37.764 38.000 0.157 0.000 1.093 282 I HN 0.019 nan 8.210 nan 0.000 0.421 283 K N 0.397 120.381 120.400 -0.694 0.000 2.103 283 K HA -0.202 4.118 4.320 0.001 0.000 0.207 283 K C 1.767 177.968 176.600 -0.665 0.000 1.048 283 K CA 1.505 57.109 56.287 -1.139 0.000 0.930 283 K CB -0.033 31.560 32.500 -1.511 0.000 0.716 283 K HN 0.427 nan 8.250 nan 0.000 0.444 284 H N -0.578 118.370 119.070 -0.204 0.000 2.529 284 H HA 0.233 4.790 4.556 0.001 0.000 0.277 284 H C 0.155 175.580 175.328 0.161 0.000 1.004 284 H CA 0.235 56.266 56.048 -0.028 0.000 1.167 284 H CB 0.323 30.032 29.762 -0.090 0.000 1.445 284 H HN 0.203 nan 8.280 nan 0.000 0.554 285 A N 1.169 124.097 122.820 0.180 0.000 2.332 285 A HA 0.199 4.520 4.320 0.001 0.000 0.258 285 A C 1.708 179.265 177.584 -0.045 0.000 1.087 285 A CA -0.295 51.747 52.037 0.008 0.000 0.802 285 A CB 0.825 19.791 19.000 -0.057 0.000 1.042 285 A HN 0.321 nan 8.150 nan 0.000 0.489 286 R N 0.208 120.650 120.500 -0.097 0.000 2.093 286 R HA 0.121 4.461 4.340 0.001 0.000 0.224 286 R C -0.030 176.343 176.300 0.123 0.000 1.101 286 R CA 1.904 58.010 56.100 0.010 0.000 0.979 286 R CB -0.281 30.037 30.300 0.030 0.000 0.877 286 R HN 0.862 nan 8.270 nan 0.000 0.441 287 F N -3.285 116.599 119.950 -0.110 0.000 2.668 287 F HA 0.770 5.297 4.527 0.001 0.000 0.309 287 F C -0.375 175.313 175.800 -0.187 0.000 1.117 287 F CA -1.143 56.794 58.000 -0.106 0.000 0.951 287 F CB 0.771 39.733 39.000 -0.065 0.000 1.323 287 F HN -0.048 nan 8.300 nan 0.000 0.451 288 G N 0.987 109.650 108.800 -0.229 0.000 2.489 288 G HA2 0.755 4.715 3.960 0.001 0.000 0.327 288 G HA3 0.755 4.715 3.960 0.001 0.000 0.327 288 G C -1.778 172.978 174.900 -0.240 0.000 1.189 288 G CA -1.145 43.534 45.100 -0.701 0.000 0.962 288 G HN 0.766 nan 8.290 nan 0.000 0.486 289 I N 0.117 120.611 120.570 -0.127 0.000 2.582 289 I HA 0.534 4.704 4.170 0.001 0.000 0.292 289 I C 0.018 176.239 176.117 0.174 0.000 1.066 289 I CA -0.919 60.407 61.300 0.043 0.000 1.053 289 I CB 2.622 40.568 38.000 -0.091 0.000 1.241 289 I HN 0.544 nan 8.210 nan 0.000 0.421 290 A N 7.290 130.131 122.820 0.036 0.000 2.644 290 A HA 0.613 4.933 4.320 0.001 0.000 0.343 290 A C -2.455 174.851 177.584 -0.464 0.000 1.324 290 A CA -1.319 50.590 52.037 -0.215 0.000 0.846 290 A CB -0.100 18.787 19.000 -0.188 0.000 1.128 290 A HN 0.408 nan 8.150 nan 0.000 0.484 291 P HA 0.178 nan 4.420 nan 0.000 0.214 291 P C -0.979 176.202 177.300 -0.199 0.000 1.826 291 P CA -0.253 62.630 63.100 -0.361 0.000 0.977 291 P CB -0.613 30.810 31.700 -0.461 0.000 1.930 292 Y N 0.865 121.185 120.300 0.034 0.000 2.632 292 Y HA 0.156 4.706 4.550 0.001 0.000 0.329 292 Y C 2.031 177.954 175.900 0.038 0.000 1.174 292 Y CA -0.114 58.009 58.100 0.038 0.000 1.469 292 Y CB -0.048 38.421 38.460 0.016 0.000 1.242 292 Y HN 0.267 nan 8.280 nan 0.000 0.540 293 A N 2.210 125.153 122.820 0.205 0.000 2.168 293 A HA 0.061 4.381 4.320 0.001 0.000 0.215 293 A C 1.074 178.732 177.584 0.123 0.000 1.152 293 A CA 1.097 53.219 52.037 0.142 0.000 0.716 293 A CB -0.036 19.041 19.000 0.128 0.000 0.794 293 A HN 0.493 nan 8.150 nan 0.000 0.465 294 S N -1.515 114.256 115.700 0.118 0.000 2.549 294 S HA 0.430 4.901 4.470 0.001 0.000 0.280 294 S C -0.114 174.501 174.600 0.025 0.000 1.109 294 S CA -0.549 57.689 58.200 0.064 0.000 0.905 294 S CB 1.416 64.649 63.200 0.054 0.000 1.081 294 S HN 0.333 nan 8.310 nan 0.000 0.477 295 E N 1.307 121.506 120.200 -0.002 0.000 2.474 295 E HA 0.095 4.445 4.350 0.001 0.000 0.195 295 E C -0.209 176.366 176.600 -0.042 0.000 1.039 295 E CA -0.064 56.316 56.400 -0.034 0.000 0.881 295 E CB 0.284 29.961 29.700 -0.039 0.000 0.970 295 E HN 0.428 nan 8.360 nan 0.000 0.486 296 Q N 1.323 121.107 119.800 -0.027 0.000 3.159 296 Q HA 0.068 4.409 4.340 0.001 0.000 0.280 296 Q C -0.169 175.794 176.000 -0.061 0.000 1.403 296 Q CA 0.101 55.886 55.803 -0.030 0.000 0.957 296 Q CB -0.418 28.318 28.738 -0.004 0.000 1.729 296 Q HN 0.111 nan 8.270 nan 0.000 0.551 297 V N -1.726 118.125 119.914 -0.104 0.000 2.962 297 V HA 0.766 4.887 4.120 0.001 0.000 0.313 297 V C -2.456 173.501 176.094 -0.229 0.000 1.099 297 V CA -2.456 59.737 62.300 -0.177 0.000 0.971 297 V CB 1.896 33.580 31.823 -0.231 0.000 1.028 297 V HN 0.182 nan 8.190 nan 0.000 0.430 298 P HA 0.248 nan 4.420 nan 0.000 0.272 298 P C 0.993 178.036 177.300 -0.428 0.000 1.223 298 P CA -0.101 62.694 63.100 -0.508 0.000 0.784 298 P CB 1.611 32.595 31.700 -1.193 0.000 0.923 299 V N 1.532 121.300 119.914 -0.244 0.000 2.469 299 V HA -0.270 3.851 4.120 0.001 0.000 0.251 299 V C 2.258 178.320 176.094 -0.053 0.000 1.064 299 V CA 2.171 64.408 62.300 -0.106 0.000 1.066 299 V CB -1.762 30.047 31.823 -0.024 0.000 0.667 299 V HN 0.651 nan 8.190 nan 0.000 0.461 300 Y N -0.731 119.577 120.300 0.012 0.000 2.571 300 Y HA 0.018 4.568 4.550 0.001 0.000 0.294 300 Y C 1.955 177.875 175.900 0.034 0.000 1.141 300 Y CA 0.463 58.575 58.100 0.021 0.000 1.308 300 Y CB -0.833 37.636 38.460 0.015 0.000 1.002 300 Y HN 0.222 nan 8.280 nan 0.000 0.551 301 L N 1.703 122.874 121.223 -0.086 0.000 2.187 301 L HA -0.042 4.299 4.340 0.001 0.000 0.213 301 L C 2.412 179.320 176.870 0.064 0.000 1.100 301 L CA 1.501 56.329 54.840 -0.020 0.000 0.765 301 L CB -1.189 40.724 42.059 -0.243 0.000 0.904 301 L HN 0.336 nan 8.230 nan 0.000 0.437 302 A N -0.827 122.042 122.820 0.082 0.000 1.940 302 A HA -0.216 4.105 4.320 0.001 0.000 0.219 302 A C 1.948 179.612 177.584 0.134 0.000 1.176 302 A CA 2.055 54.171 52.037 0.132 0.000 0.631 302 A CB -0.592 18.551 19.000 0.237 0.000 0.814 302 A HN 0.568 nan 8.150 nan 0.000 0.446 303 D N -0.725 119.816 120.400 0.235 0.000 2.216 303 D HA -0.047 4.594 4.640 0.001 0.000 0.208 303 D C 2.268 178.671 176.300 0.172 0.000 0.960 303 D CA 1.538 55.681 54.000 0.238 0.000 0.861 303 D CB -0.258 40.680 40.800 0.230 0.000 0.985 303 D HN 0.594 nan 8.370 nan 0.000 0.493 304 S N -0.181 115.650 115.700 0.219 0.000 2.503 304 S HA 0.009 4.479 4.470 0.001 0.000 0.217 304 S C 1.141 175.976 174.600 0.392 0.000 0.999 304 S CA -0.291 58.081 58.200 0.288 0.000 0.914 304 S CB 0.035 63.428 63.200 0.322 0.000 0.782 304 S HN 0.010 nan 8.310 nan 0.000 0.520 305 S N 1.823 117.665 115.700 0.236 0.000 2.546 305 S HA 0.136 4.607 4.470 0.001 0.000 0.290 305 S C 1.248 175.931 174.600 0.137 0.000 1.262 305 S CA -0.396 57.926 58.200 0.204 0.000 1.083 305 S CB -0.032 63.297 63.200 0.214 0.000 0.859 305 S HN 0.391 nan 8.310 nan 0.000 0.495 306 M N 5.027 124.683 119.600 0.094 0.000 2.156 306 M HA -0.068 4.412 4.480 0.001 0.000 0.264 306 M C 2.217 178.469 176.300 -0.081 0.000 1.067 306 M CA 1.614 56.908 55.300 -0.010 0.000 1.131 306 M CB -1.071 31.511 32.600 -0.031 0.000 1.368 306 M HN 0.900 nan 8.290 nan 0.000 0.416 307 K N 0.086 120.414 120.400 -0.121 0.000 2.097 307 K HA -0.164 4.156 4.320 0.001 0.000 0.206 307 K C 1.854 177.963 176.600 -0.818 0.000 1.049 307 K CA 1.252 57.292 56.287 -0.410 0.000 0.933 307 K CB -0.403 31.901 32.500 -0.326 0.000 0.717 307 K HN 0.114 nan 8.250 nan 0.000 0.442 308 L N 1.397 122.354 121.223 -0.444 0.000 2.093 308 L HA -0.058 4.282 4.340 0.001 0.000 0.208 308 L C 2.383 179.148 176.870 -0.176 0.000 1.085 308 L CA 1.064 55.724 54.840 -0.298 0.000 0.755 308 L CB -1.123 40.884 42.059 -0.087 0.000 0.904 308 L HN 0.304 nan 8.230 nan 0.000 0.435 309 L N -0.425 120.719 121.223 -0.132 0.000 2.012 309 L HA -0.225 4.116 4.340 0.001 0.000 0.210 309 L C 2.542 179.407 176.870 -0.009 0.000 1.073 309 L CA 1.763 56.568 54.840 -0.059 0.000 0.748 309 L CB -0.726 41.316 42.059 -0.028 0.000 0.891 309 L HN 0.326 nan 8.230 nan 0.000 0.431 310 Q N -0.974 118.797 119.800 -0.049 0.000 2.050 310 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 310 Q C 2.288 178.496 176.000 0.346 0.000 0.980 310 Q CA 1.844 57.701 55.803 0.091 0.000 0.840 310 Q CB -0.832 27.947 28.738 0.069 0.000 0.898 310 Q HN 0.551 nan 8.270 nan 0.000 0.424 311 Y N 1.790 122.220 120.300 0.216 0.000 2.128 311 Y HA -0.183 4.367 4.550 0.001 0.000 0.284 311 Y C 2.085 178.115 175.900 0.217 0.000 1.154 311 Y CA 0.798 59.041 58.100 0.238 0.000 1.149 311 Y CB -0.939 37.618 38.460 0.162 0.000 0.976 311 Y HN 0.148 nan 8.280 nan 0.000 0.505 312 D N -0.663 119.906 120.400 0.282 0.000 2.144 312 D HA -0.180 4.461 4.640 0.001 0.000 0.199 312 D C 2.111 178.467 176.300 0.095 0.000 0.984 312 D CA 0.873 54.971 54.000 0.164 0.000 0.834 312 D CB -0.795 40.047 40.800 0.070 0.000 0.955 312 D HN 0.298 nan 8.370 nan 0.000 0.465 313 F N 0.400 120.303 119.950 -0.078 0.000 2.120 313 F HA -0.224 4.303 4.527 0.001 0.000 0.300 313 F C 1.609 177.187 175.800 -0.369 0.000 1.095 313 F CA 1.355 59.176 58.000 -0.298 0.000 1.249 313 F CB -0.259 38.419 39.000 -0.537 0.000 0.995 313 F HN -0.136 nan 8.300 nan 0.000 0.480 314 F N 0.294 120.273 119.950 0.048 0.000 2.765 314 F HA 0.309 4.837 4.527 0.001 0.000 0.302 314 F C 1.945 177.703 175.800 -0.069 0.000 1.111 314 F CA 0.548 58.521 58.000 -0.045 0.000 1.359 314 F CB -0.398 38.655 39.000 0.088 0.000 1.097 314 F HN 0.109 nan 8.300 nan 0.000 0.577 315 G N 1.184 110.039 108.800 0.092 0.000 2.153 315 G HA2 -0.324 3.636 3.960 0.001 0.000 0.252 315 G HA3 -0.324 3.636 3.960 0.001 0.000 0.252 315 G C 0.138 175.128 174.900 0.150 0.000 0.994 315 G CA 0.020 45.161 45.100 0.069 0.000 0.698 315 G HN 0.291 nan 8.290 nan 0.000 0.521 316 L N 1.865 123.222 121.223 0.223 0.000 2.500 316 L HA 0.479 4.820 4.340 0.001 0.000 0.272 316 L C -1.474 175.520 176.870 0.207 0.000 1.149 316 L CA -1.525 53.429 54.840 0.190 0.000 0.897 316 L CB 0.156 42.323 42.059 0.179 0.000 1.178 316 L HN -0.043 nan 8.230 nan 0.000 0.473 317 P HA 0.178 nan 4.420 nan 0.000 0.266 317 P C -1.311 176.179 177.300 0.317 0.000 1.193 317 P CA 0.091 63.388 63.100 0.328 0.000 0.770 317 P CB 0.665 32.587 31.700 0.371 0.000 0.836 318 A N 2.591 125.610 122.820 0.332 0.000 2.393 318 A HA 0.587 4.907 4.320 0.001 0.000 0.306 318 A C -1.051 176.741 177.584 0.348 0.000 1.050 318 A CA -0.596 51.617 52.037 0.295 0.000 0.724 318 A CB 1.233 20.412 19.000 0.298 0.000 1.248 318 A HN 0.294 nan 8.150 nan 0.000 0.424 319 V N 1.563 121.684 119.914 0.344 0.000 2.398 319 V HA 0.588 4.708 4.120 0.001 0.000 0.286 319 V C 0.080 176.348 176.094 0.291 0.000 1.026 319 V CA -0.210 62.297 62.300 0.346 0.000 0.868 319 V CB 0.386 32.410 31.823 0.336 0.000 0.982 319 V HN 1.438 nan 8.190 nan 0.000 0.443 320 C N 3.875 123.369 119.300 0.324 0.000 3.285 320 C HA 0.716 5.176 4.460 0.001 0.000 0.325 320 C C -3.213 171.657 174.990 -0.200 0.000 1.304 320 C CA -2.113 56.992 59.018 0.144 0.000 1.319 320 C CB 1.729 29.540 27.740 0.119 0.000 1.640 320 C HN 0.594 nan 8.230 nan 0.000 0.477 321 P HA 0.191 nan 4.420 nan 0.000 0.268 321 P C 0.381 177.537 177.300 -0.239 0.000 1.208 321 P CA 0.524 63.250 63.100 -0.624 0.000 0.777 321 P CB 0.468 31.961 31.700 -0.345 0.000 0.875 322 N N 1.536 120.119 118.700 -0.194 0.000 2.137 322 N HA -0.217 4.524 4.740 0.001 0.000 0.190 322 N C 1.617 177.099 175.510 -0.046 0.000 1.017 322 N CA 1.460 54.468 53.050 -0.071 0.000 0.859 322 N CB -0.415 38.047 38.487 -0.041 0.000 1.002 322 N HN 0.428 nan 8.380 nan 0.000 0.428 323 A N 0.359 123.141 122.820 -0.062 0.000 2.172 323 A HA -0.017 4.304 4.320 0.001 0.000 0.216 323 A C 1.829 179.395 177.584 -0.030 0.000 1.154 323 A CA 1.196 53.205 52.037 -0.047 0.000 0.701 323 A CB -0.242 18.720 19.000 -0.063 0.000 0.789 323 A HN 0.274 nan 8.150 nan 0.000 0.465 324 V N -4.596 115.316 119.914 -0.003 0.000 3.380 324 V HA 0.196 4.316 4.120 0.001 0.000 0.307 324 V C 1.505 177.644 176.094 0.075 0.000 1.434 324 V CA 0.497 62.821 62.300 0.041 0.000 1.075 324 V CB -0.323 31.556 31.823 0.093 0.000 0.954 324 V HN 0.033 nan 8.190 nan 0.000 0.444 325 V N 1.896 121.841 119.914 0.053 0.000 2.295 325 V HA 0.183 4.303 4.120 0.001 0.000 0.246 325 V C 2.218 178.404 176.094 0.153 0.000 1.049 325 V CA 2.268 64.607 62.300 0.066 0.000 1.024 325 V CB -1.418 30.415 31.823 0.016 0.000 0.648 325 V HN 1.113 nan 8.190 nan 0.000 0.447 326 G N 1.018 109.884 108.800 0.111 0.000 2.564 326 G HA2 -0.251 3.709 3.960 0.001 0.000 0.273 326 G HA3 -0.251 3.709 3.960 0.001 0.000 0.273 326 G C -1.808 173.119 174.900 0.046 0.000 1.242 326 G CA 0.131 45.305 45.100 0.123 0.000 0.951 326 G HN 0.489 nan 8.290 nan 0.000 0.564 327 P HA 0.495 nan 4.420 nan 0.000 0.214 327 P C -1.369 175.603 177.300 -0.547 0.000 1.849 327 P CA 0.081 63.010 63.100 -0.284 0.000 1.022 327 P CB -0.427 31.056 31.700 -0.362 0.000 1.912 328 Y N -0.457 119.801 120.300 -0.070 0.000 2.504 328 Y HA 0.369 4.920 4.550 0.001 0.000 0.344 328 Y C 0.864 176.670 175.900 -0.156 0.000 1.023 328 Y CA -0.931 57.120 58.100 -0.082 0.000 1.020 328 Y CB 2.355 40.798 38.460 -0.029 0.000 1.282 328 Y HN -0.143 nan 8.280 nan 0.000 0.454 329 K N 0.268 120.635 120.400 -0.055 0.000 2.102 329 K HA 0.360 4.680 4.320 0.001 0.000 0.244 329 K C 0.316 176.856 176.600 -0.100 0.000 1.021 329 K CA 0.100 56.261 56.287 -0.209 0.000 0.913 329 K CB 0.679 32.800 32.500 -0.630 0.000 1.062 329 K HN 0.804 nan 8.250 nan 0.000 0.485 330 S N 0.108 115.691 115.700 -0.195 0.000 3.476 330 S HA -0.183 4.288 4.470 0.001 0.000 0.309 330 S C -0.472 173.864 174.600 -0.440 0.000 1.222 330 S CA 0.975 59.068 58.200 -0.179 0.000 0.922 330 S CB -1.050 62.272 63.200 0.203 0.000 1.023 330 S HN 0.559 nan 8.310 nan 0.000 0.591 331 R N -0.224 119.860 120.500 -0.694 0.000 2.480 331 R HA 0.573 4.913 4.340 0.001 0.000 0.306 331 R C -1.277 174.577 176.300 -0.744 0.000 0.958 331 R CA -0.361 55.451 56.100 -0.479 0.000 0.861 331 R CB 0.879 31.102 30.300 -0.130 0.000 1.171 331 R HN 0.136 nan 8.270 nan 0.000 0.445 332 F N 1.000 121.011 119.950 0.102 0.000 2.382 332 F HA 0.369 4.897 4.527 0.001 0.000 0.361 332 F C 1.038 176.923 175.800 0.141 0.000 1.109 332 F CA -0.820 57.234 58.000 0.090 0.000 1.031 332 F CB 1.800 40.826 39.000 0.044 0.000 1.234 332 F HN 0.554 nan 8.300 nan 0.000 0.445 333 G N 2.472 111.397 108.800 0.209 0.000 2.467 333 G HA2 0.414 4.374 3.960 0.001 0.000 0.257 333 G HA3 0.414 4.374 3.960 0.001 0.000 0.257 333 G C -1.362 173.672 174.900 0.223 0.000 1.227 333 G CA -0.205 44.972 45.100 0.129 0.000 0.835 333 G HN 0.664 nan 8.290 nan 0.000 0.556 334 Y N -1.842 118.527 120.300 0.116 0.000 2.677 334 Y HA 0.768 5.318 4.550 0.001 0.000 0.334 334 Y C -0.298 175.657 175.900 0.090 0.000 1.154 334 Y CA -1.434 56.731 58.100 0.108 0.000 1.070 334 Y CB 0.935 39.478 38.460 0.140 0.000 1.294 334 Y HN 0.408 nan 8.280 nan 0.000 0.475 335 T N 3.569 118.261 114.554 0.230 0.000 2.756 335 T HA 0.408 4.758 4.350 0.001 0.000 0.290 335 T C -2.838 172.041 174.700 0.298 0.000 0.985 335 T CA -1.446 60.724 62.100 0.117 0.000 0.955 335 T CB 1.007 69.937 68.868 0.103 0.000 0.930 335 T HN 0.349 nan 8.240 nan 0.000 0.451 336 P HA 0.189 nan 4.420 nan 0.000 0.264 336 P C 1.116 178.536 177.300 0.200 0.000 1.183 336 P CA 0.954 64.252 63.100 0.329 0.000 0.763 336 P CB 0.355 32.164 31.700 0.182 0.000 0.807 337 G N 2.050 110.949 108.800 0.166 0.000 2.199 337 G HA2 -0.246 3.714 3.960 0.001 0.000 0.254 337 G HA3 -0.246 3.714 3.960 0.001 0.000 0.254 337 G C 0.365 175.307 174.900 0.070 0.000 0.982 337 G CA -0.241 44.913 45.100 0.089 0.000 0.632 337 G HN 0.668 nan 8.290 nan 0.000 0.529 338 N N 0.913 119.675 118.700 0.103 0.000 2.546 338 N HA 0.575 5.315 4.740 0.001 0.000 0.238 338 N C 1.460 176.991 175.510 0.035 0.000 0.984 338 N CA 0.650 53.744 53.050 0.073 0.000 0.935 338 N CB 1.051 39.597 38.487 0.099 0.000 1.122 338 N HN 0.386 nan 8.380 nan 0.000 0.510 339 A N 3.638 126.449 122.820 -0.016 0.000 1.883 339 A HA -0.179 4.141 4.320 0.001 0.000 0.217 339 A C 1.583 179.137 177.584 -0.050 0.000 1.186 339 A CA 1.471 53.467 52.037 -0.069 0.000 0.624 339 A CB -0.220 18.737 19.000 -0.071 0.000 0.822 339 A HN 0.640 nan 8.150 nan 0.000 0.444 340 D N 0.132 120.524 120.400 -0.014 0.000 2.116 340 D HA -0.165 4.475 4.640 0.001 0.000 0.193 340 D C 2.522 178.840 176.300 0.029 0.000 0.998 340 D CA 2.101 56.102 54.000 0.002 0.000 0.836 340 D CB -0.469 40.337 40.800 0.010 0.000 0.951 340 D HN 0.600 nan 8.370 nan 0.000 0.449 341 S N -0.003 115.736 115.700 0.064 0.000 2.383 341 S HA -0.104 4.367 4.470 0.001 0.000 0.227 341 S C 2.267 176.946 174.600 0.131 0.000 1.026 341 S CA 0.887 59.162 58.200 0.125 0.000 0.981 341 S CB -0.649 62.661 63.200 0.184 0.000 0.818 341 S HN 0.097 nan 8.310 nan 0.000 0.472 342 V N 2.288 122.208 119.914 0.010 0.000 2.295 342 V HA -0.144 3.976 4.120 0.001 0.000 0.246 342 V C 2.476 178.503 176.094 -0.113 0.000 1.049 342 V CA 2.030 64.191 62.300 -0.233 0.000 1.024 342 V CB -0.734 30.773 31.823 -0.526 0.000 0.648 342 V HN 0.508 nan 8.190 nan 0.000 0.447 343 I N 0.287 120.846 120.570 -0.017 0.000 2.252 343 I HA -0.192 3.979 4.170 0.001 0.000 0.245 343 I C 2.653 178.858 176.117 0.147 0.000 1.102 343 I CA 1.378 62.777 61.300 0.165 0.000 1.385 343 I CB -0.619 37.428 38.000 0.077 0.000 1.064 343 I HN 0.270 nan 8.210 nan 0.000 0.414 344 A N 0.875 123.739 122.820 0.073 0.000 1.902 344 A HA -0.166 4.154 4.320 0.001 0.000 0.217 344 A C 2.561 180.156 177.584 0.018 0.000 1.181 344 A CA 1.899 53.968 52.037 0.053 0.000 0.623 344 A CB -0.891 18.143 19.000 0.056 0.000 0.818 344 A HN 0.419 nan 8.150 nan 0.000 0.443 345 A N -0.105 122.751 122.820 0.060 0.000 1.902 345 A HA -0.101 4.219 4.320 0.001 0.000 0.217 345 A C 2.129 179.629 177.584 -0.140 0.000 1.181 345 A CA 1.581 53.667 52.037 0.083 0.000 0.623 345 A CB -0.614 18.554 19.000 0.281 0.000 0.818 345 A HN 0.506 nan 8.150 nan 0.000 0.443 346 I N -0.609 119.822 120.570 -0.231 0.000 2.226 346 I HA -0.211 3.959 4.170 0.001 0.000 0.245 346 I C 2.556 178.266 176.117 -0.679 0.000 1.100 346 I CA 1.667 62.589 61.300 -0.630 0.000 1.374 346 I CB -0.589 36.919 38.000 -0.819 0.000 1.057 346 I HN 0.253 nan 8.210 nan 0.000 0.413 347 T N 0.149 114.516 114.554 -0.313 0.000 2.720 347 T HA -0.228 4.123 4.350 0.001 0.000 0.268 347 T C 1.893 176.410 174.700 -0.304 0.000 1.037 347 T CA 1.360 63.367 62.100 -0.155 0.000 1.144 347 T CB -0.203 68.692 68.868 0.044 0.000 0.864 347 T HN 0.404 nan 8.240 nan 0.000 0.444 348 Q N 0.329 119.888 119.800 -0.402 0.000 2.079 348 Q HA -0.002 4.338 4.340 0.001 0.000 0.200 348 Q C 2.796 178.164 176.000 -1.054 0.000 0.974 348 Q CA 1.314 56.724 55.803 -0.656 0.000 0.840 348 Q CB -0.314 27.995 28.738 -0.716 0.000 0.898 348 Q HN 0.553 nan 8.270 nan 0.000 0.430 349 A N 1.084 123.237 122.820 -1.112 0.000 1.940 349 A HA -0.179 4.142 4.320 0.001 0.000 0.219 349 A C 2.066 179.326 177.584 -0.539 0.000 1.176 349 A CA 1.133 52.667 52.037 -0.837 0.000 0.631 349 A CB -0.741 17.854 19.000 -0.675 0.000 0.814 349 A HN 0.305 nan 8.150 nan 0.000 0.446 350 L N -0.779 120.098 121.223 -0.577 0.000 2.191 350 L HA -0.136 4.204 4.340 0.001 0.000 0.212 350 L C 1.789 178.555 176.870 -0.173 0.000 1.103 350 L CA 1.073 55.729 54.840 -0.306 0.000 0.769 350 L CB -0.226 41.667 42.059 -0.276 0.000 0.908 350 L HN 0.322 nan 8.230 nan 0.000 0.438 351 E N -0.300 119.768 120.200 -0.219 0.000 2.481 351 E HA 0.225 4.575 4.350 0.001 0.000 0.198 351 E C 0.519 177.065 176.600 -0.089 0.000 1.027 351 E CA 0.041 56.364 56.400 -0.128 0.000 0.900 351 E CB 0.333 29.960 29.700 -0.121 0.000 0.993 351 E HN 0.232 nan 8.360 nan 0.000 0.482 352 A N 3.625 126.379 122.820 -0.110 0.000 2.450 352 A HA 0.362 4.682 4.320 0.001 0.000 0.255 352 A C -2.058 175.593 177.584 0.111 0.000 1.096 352 A CA -1.032 51.047 52.037 0.070 0.000 0.778 352 A CB -0.147 19.014 19.000 0.269 0.000 1.031 352 A HN -0.114 nan 8.150 nan 0.000 0.494 353 P HA 0.169 nan 4.420 nan 0.000 0.275 353 P C -0.489 176.876 177.300 0.108 0.000 1.228 353 P CA -0.472 62.685 63.100 0.096 0.000 0.786 353 P CB 0.565 32.316 31.700 0.085 0.000 0.927 354 R N 2.044 122.581 120.500 0.061 0.000 2.291 354 R HA 0.360 4.700 4.340 0.001 0.000 0.333 354 R C -1.147 175.120 176.300 -0.055 0.000 1.082 354 R CA -0.151 55.970 56.100 0.035 0.000 0.948 354 R CB -0.244 30.075 30.300 0.032 0.000 1.009 354 R HN 0.268 nan 8.270 nan 0.000 0.460 355 V N 5.647 125.471 119.914 -0.151 0.000 2.686 355 V HA 0.330 4.451 4.120 0.001 0.000 0.306 355 V C 0.004 175.810 176.094 -0.481 0.000 1.065 355 V CA -0.986 61.062 62.300 -0.420 0.000 0.894 355 V CB 2.029 33.342 31.823 -0.850 0.000 1.004 355 V HN 0.776 nan 8.190 nan 0.000 0.424 356 R N 3.462 123.732 120.500 -0.382 0.000 3.247 356 R HA 0.182 4.523 4.340 0.001 0.000 0.212 356 R C -0.005 176.144 176.300 -0.251 0.000 1.604 356 R CA -0.077 55.851 56.100 -0.287 0.000 1.279 356 R CB -0.099 30.023 30.300 -0.297 0.000 1.277 356 R HN 0.713 nan 8.270 nan 0.000 0.669 357 Y N 0.546 120.843 120.300 -0.006 0.000 2.314 357 Y HA -0.062 4.488 4.550 0.001 0.000 0.293 357 Y C 1.356 177.272 175.900 0.027 0.000 1.129 357 Y CA 0.882 58.993 58.100 0.018 0.000 1.201 357 Y CB 0.045 38.536 38.460 0.051 0.000 0.999 357 Y HN 0.221 nan 8.280 nan 0.000 0.541 358 R N 1.494 122.105 120.500 0.184 0.000 2.312 358 R HA 0.176 4.516 4.340 0.001 0.000 0.311 358 R C -0.367 175.969 176.300 0.060 0.000 1.004 358 R CA -0.485 55.714 56.100 0.164 0.000 0.902 358 R CB 0.681 31.104 30.300 0.204 0.000 1.073 358 R HN 0.129 nan 8.270 nan 0.000 0.457 359 Q N 4.258 124.093 119.800 0.058 0.000 2.295 359 Q HA 0.188 4.528 4.340 0.001 0.000 0.259 359 Q C -1.433 174.575 176.000 0.013 0.000 0.976 359 Q CA -0.350 55.462 55.803 0.014 0.000 0.923 359 Q CB 0.768 29.513 28.738 0.011 0.000 1.185 359 Q HN 0.673 nan 8.270 nan 0.000 0.410 360 C N 6.365 125.671 119.300 0.009 0.000 2.335 360 C HA 0.415 4.876 4.460 0.001 0.000 0.318 360 C C 0.155 175.124 174.990 -0.036 0.000 1.150 360 C CA -1.003 58.017 59.018 0.005 0.000 1.466 360 C CB -0.515 27.300 27.740 0.124 0.000 2.024 360 C HN 0.822 nan 8.230 nan 0.000 0.429 361 L N 3.991 125.148 121.223 -0.110 0.000 2.456 361 L HA 0.159 4.499 4.340 0.001 0.000 0.272 361 L C 0.799 177.531 176.870 -0.230 0.000 1.189 361 L CA 0.182 54.938 54.840 -0.140 0.000 0.846 361 L CB 0.512 42.472 42.059 -0.166 0.000 1.111 361 L HN 0.776 nan 8.230 nan 0.000 0.475 362 N N 1.022 119.627 118.700 -0.158 0.000 2.288 362 N HA -0.076 4.664 4.740 0.001 0.000 0.237 362 N C 0.395 175.788 175.510 -0.196 0.000 1.311 362 N CA -0.050 52.895 53.050 -0.175 0.000 0.909 362 N CB 0.274 38.766 38.487 0.008 0.000 1.167 362 N HN 0.531 nan 8.380 nan 0.000 0.476 363 W N -1.170 120.116 121.300 -0.024 0.000 2.402 363 W HA -0.062 4.599 4.660 0.001 0.000 0.286 363 W C 2.672 179.177 176.519 -0.024 0.000 1.221 363 W CA 1.042 58.377 57.345 -0.017 0.000 1.257 363 W CB -0.153 29.321 29.460 0.024 0.000 1.120 363 W HN 0.663 nan 8.180 nan 0.000 0.551 364 S N 0.184 115.998 115.700 0.188 0.000 2.355 364 S HA -0.188 4.282 4.470 0.001 0.000 0.222 364 S C 1.528 176.138 174.600 0.017 0.000 1.031 364 S CA 1.855 60.103 58.200 0.080 0.000 0.993 364 S CB -0.451 62.762 63.200 0.022 0.000 0.859 364 S HN 0.070 nan 8.310 nan 0.000 0.453 365 D N 0.706 121.092 120.400 -0.023 0.000 2.144 365 D HA -0.035 4.606 4.640 0.001 0.000 0.199 365 D C 2.052 178.255 176.300 -0.161 0.000 0.984 365 D CA 1.361 55.302 54.000 -0.099 0.000 0.834 365 D CB -0.837 39.904 40.800 -0.098 0.000 0.955 365 D HN 0.415 nan 8.370 nan 0.000 0.465 366 T N 0.074 114.566 114.554 -0.104 0.000 2.708 366 T HA -0.114 4.237 4.350 0.001 0.000 0.266 366 T C 2.003 176.690 174.700 -0.022 0.000 1.037 366 T CA 1.723 63.769 62.100 -0.090 0.000 1.146 366 T CB -0.498 68.317 68.868 -0.088 0.000 0.865 366 T HN 0.148 nan 8.240 nan 0.000 0.435 367 T N 2.049 116.638 114.554 0.058 0.000 2.746 367 T HA -0.122 4.228 4.350 0.001 0.000 0.267 367 T C 1.687 176.368 174.700 -0.031 0.000 1.039 367 T CA 1.229 63.350 62.100 0.035 0.000 1.142 367 T CB -0.527 68.360 68.868 0.030 0.000 0.866 367 T HN 0.331 nan 8.240 nan 0.000 0.444 368 D N 1.184 121.547 120.400 -0.061 0.000 2.133 368 D HA -0.102 4.538 4.640 0.001 0.000 0.192 368 D C 2.323 178.551 176.300 -0.120 0.000 1.001 368 D CA 1.227 55.191 54.000 -0.060 0.000 0.844 368 D CB -0.212 40.535 40.800 -0.089 0.000 0.944 368 D HN 0.369 nan 8.370 nan 0.000 0.447 369 R N -0.015 120.300 120.500 -0.308 0.000 2.153 369 R HA 0.043 4.383 4.340 0.001 0.000 0.218 369 R C 2.404 178.636 176.300 -0.112 0.000 1.072 369 R CA 0.139 56.053 56.100 -0.310 0.000 0.990 369 R CB -0.093 29.953 30.300 -0.423 0.000 0.889 369 R HN 0.047 nan 8.270 nan 0.000 0.452 370 V N 1.367 121.248 119.914 -0.056 0.000 2.343 370 V HA -0.228 3.893 4.120 0.001 0.000 0.247 370 V C 2.086 178.191 176.094 0.018 0.000 1.051 370 V CA 1.736 64.043 62.300 0.011 0.000 1.036 370 V CB -0.301 31.550 31.823 0.048 0.000 0.654 370 V HN 0.280 nan 8.190 nan 0.000 0.451 371 L N -0.928 120.305 121.223 0.017 0.000 2.202 371 L HA 0.097 4.438 4.340 0.001 0.000 0.205 371 L C 0.522 177.414 176.870 0.036 0.000 1.083 371 L CA 0.987 55.858 54.840 0.052 0.000 0.790 371 L CB -0.058 42.050 42.059 0.082 0.000 0.942 371 L HN 0.315 nan 8.230 nan 0.000 0.452 372 D N -0.473 119.947 120.400 0.034 0.000 2.739 372 D HA 0.138 4.779 4.640 0.001 0.000 0.335 372 D C -1.802 174.502 176.300 0.006 0.000 1.216 372 D CA -0.945 53.069 54.000 0.023 0.000 0.808 372 D CB 0.908 41.759 40.800 0.084 0.000 1.121 372 D HN 0.073 nan 8.370 nan 0.000 0.499 373 P HA -0.144 nan 4.420 nan 0.000 0.218 373 P C 1.347 178.447 177.300 -0.332 0.000 1.148 373 P CA 0.665 63.551 63.100 -0.358 0.000 0.822 373 P CB 0.495 31.640 31.700 -0.925 0.000 0.784 374 R N 0.220 120.476 120.500 -0.408 0.000 2.152 374 R HA -0.003 4.337 4.340 0.001 0.000 0.232 374 R C 2.375 178.628 176.300 -0.077 0.000 1.117 374 R CA 1.256 57.278 56.100 -0.130 0.000 0.981 374 R CB -0.890 29.385 30.300 -0.042 0.000 0.870 374 R HN 0.145 nan 8.270 nan 0.000 0.451 375 A N 0.120 122.863 122.820 -0.129 0.000 2.216 375 A HA -0.081 4.239 4.320 0.001 0.000 0.214 375 A C -0.029 177.201 177.584 -0.589 0.000 1.160 375 A CA 0.719 52.555 52.037 -0.334 0.000 0.725 375 A CB -0.046 18.696 19.000 -0.430 0.000 0.784 375 A HN 0.300 nan 8.150 nan 0.000 0.472 376 Y N -1.631 118.641 120.300 -0.046 0.000 2.705 376 Y HA 0.333 4.883 4.550 0.001 0.000 0.355 376 Y C -2.211 173.695 175.900 0.010 0.000 1.039 376 Y CA -2.075 56.011 58.100 -0.024 0.000 1.233 376 Y CB 1.116 39.551 38.460 -0.041 0.000 1.103 376 Y HN 0.108 nan 8.280 nan 0.000 0.624 377 P HA -0.164 nan 4.420 nan 0.000 0.226 377 P C 1.429 178.817 177.300 0.146 0.000 1.153 377 P CA 1.183 64.361 63.100 0.131 0.000 0.777 377 P CB 0.391 32.139 31.700 0.080 0.000 0.794 378 E N 0.255 120.530 120.200 0.126 0.000 2.267 378 E HA -0.185 4.166 4.350 0.001 0.000 0.197 378 E C 1.245 177.919 176.600 0.123 0.000 0.998 378 E CA 1.969 58.431 56.400 0.104 0.000 0.830 378 E CB -1.612 28.134 29.700 0.077 0.000 0.751 378 E HN 0.322 nan 8.360 nan 0.000 0.491 379 T N -1.385 113.271 114.554 0.170 0.000 3.055 379 T HA 0.022 4.372 4.350 0.001 0.000 0.265 379 T C 1.138 176.045 174.700 0.345 0.000 1.111 379 T CA -0.167 62.058 62.100 0.209 0.000 1.118 379 T CB -0.201 68.782 68.868 0.191 0.000 0.909 379 T HN 0.019 nan 8.240 nan 0.000 0.501 380 R N 0.822 121.530 120.500 0.347 0.000 2.522 380 R HA 0.244 4.585 4.340 0.001 0.000 0.284 380 R C 0.742 177.081 176.300 0.064 0.000 1.032 380 R CA -0.107 56.145 56.100 0.254 0.000 1.049 380 R CB 0.429 30.857 30.300 0.213 0.000 0.956 380 R HN 0.348 nan 8.270 nan 0.000 0.422 381 L N 2.845 124.028 121.223 -0.067 0.000 2.607 381 L HA 0.166 4.507 4.340 0.001 0.000 0.228 381 L C -0.260 176.229 176.870 -0.635 0.000 1.123 381 L CA 0.334 55.000 54.840 -0.289 0.000 0.890 381 L CB 0.138 42.008 42.059 -0.314 0.000 1.103 381 L HN 0.572 nan 8.230 nan 0.000 0.468 382 Y N 0.000 120.256 120.300 -0.074 0.000 2.660 382 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 382 Y CA 0.000 58.061 58.100 -0.064 0.000 1.940 382 Y CB 0.000 38.401 38.460 -0.099 0.000 1.050 382 Y HN 0.000 nan 8.280 nan 0.000 0.758