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 2w0v_1_A DATA FIRST_RESID 4 DATA SEQUENCE KALSAVILAA GKGTRMYSDL PKVLHTIAGK PMVKHVIDTA HQLGSENIHL DATA SEQUENCE IYGHGGDLMR THLANEQVNW VLQTEQLGTA HAVQQAAPFF KDNENIVVLY DATA SEQUENCE GDAPLITKET LEKLIEAKPE NGIALLTVNL DNPTGYGRII RENGNVVAIV DATA SEQUENCE EQKDANAEQL NIKEVNTGVM VSDGASFKKW LARVGNNNAQ GEYYLTDLIA DATA SEQUENCE LANQDNCQVV AVQATDVMEV EGANNRLQLA ALERYFQNKQ ASKLLLEGVM DATA SEQUENCE IYDPARFDLR GTLEHGKDVE IDVNVIIEGN VKLGDRVKIG TGCVLKNVVI DATA SEQUENCE GNDVEIKPYS VLEDSIVGEK AAIGPFSRLR PGAELAAETH VGNFVEIKKS DATA SEQUENCE TVGKGSKVNH LTYVGDSEIG SNCNIGAGVI TCNYDGANKF KTIIGDDVFV DATA SEQUENCE GSDTQLVAPV KVANGATIGA GTTITRDVGE NELVITRVAQ RHIQGWQRPI DATA SEQUENCE K 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.597 176.600 -0.005 0.000 0.988 4 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 4 K CB 0.000 32.501 32.500 0.001 0.000 1.064 5 A N 0.649 123.467 122.820 -0.004 0.000 2.366 5 A HA 0.583 4.903 4.320 0.001 0.000 0.250 5 A C -0.615 176.960 177.584 -0.015 0.000 1.099 5 A CA -0.225 51.807 52.037 -0.008 0.000 0.794 5 A CB 0.223 19.223 19.000 -0.000 0.000 1.056 5 A HN 0.681 nan 8.150 nan 0.000 0.499 6 L N -0.290 120.917 121.223 -0.026 0.000 2.472 6 L HA 0.705 5.045 4.340 0.001 0.000 0.260 6 L C -0.461 176.374 176.870 -0.059 0.000 0.963 6 L CA 0.219 55.035 54.840 -0.041 0.000 0.829 6 L CB 2.228 44.263 42.059 -0.040 0.000 1.348 6 L HN 0.633 nan 8.230 nan 0.000 0.408 7 S N 1.916 117.564 115.700 -0.087 0.000 2.632 7 S HA 0.988 5.458 4.470 0.001 0.000 0.289 7 S C -1.031 173.476 174.600 -0.155 0.000 1.115 7 S CA -0.243 57.884 58.200 -0.123 0.000 0.889 7 S CB 1.863 65.003 63.200 -0.099 0.000 1.116 7 S HN 0.971 nan 8.310 nan 0.000 0.486 8 A N 1.048 123.762 122.820 -0.176 0.000 2.355 8 A HA 0.841 5.161 4.320 0.001 0.000 0.324 8 A C -1.174 176.332 177.584 -0.131 0.000 1.117 8 A CA -0.620 51.324 52.037 -0.154 0.000 0.785 8 A CB 1.013 19.936 19.000 -0.128 0.000 1.254 8 A HN 0.575 nan 8.150 nan 0.000 0.453 9 V N 2.587 122.437 119.914 -0.106 0.000 2.448 9 V HA 0.446 4.566 4.120 0.001 0.000 0.295 9 V C -0.533 175.491 176.094 -0.116 0.000 1.025 9 V CA -0.157 62.122 62.300 -0.034 0.000 0.859 9 V CB 1.335 33.166 31.823 0.013 0.000 0.988 9 V HN 0.712 nan 8.190 nan 0.000 0.431 10 I N 5.515 126.026 120.570 -0.097 0.000 2.389 10 I HA 0.409 4.579 4.170 0.001 0.000 0.288 10 I C -0.606 175.467 176.117 -0.073 0.000 0.999 10 I CA -0.500 60.727 61.300 -0.122 0.000 1.129 10 I CB 1.817 39.753 38.000 -0.108 0.000 1.288 10 I HN 0.379 nan 8.210 nan 0.000 0.444 11 L N 6.354 127.527 121.223 -0.084 0.000 2.281 11 L HA 0.463 4.804 4.340 0.001 0.000 0.285 11 L C 0.766 177.691 176.870 0.092 0.000 1.074 11 L CA 0.255 55.116 54.840 0.034 0.000 0.817 11 L CB 1.140 43.262 42.059 0.104 0.000 1.168 11 L HN 0.804 nan 8.230 nan 0.000 0.434 12 A N 2.667 125.552 122.820 0.108 0.000 2.569 12 A HA 0.524 4.845 4.320 0.001 0.000 0.284 12 A C 1.146 178.831 177.584 0.169 0.000 0.948 12 A CA 0.404 52.516 52.037 0.125 0.000 1.007 12 A CB 0.364 19.418 19.000 0.090 0.000 1.232 12 A HN 0.689 nan 8.150 nan 0.000 0.530 13 A N -0.103 122.816 122.820 0.166 0.000 2.238 13 A HA 0.500 4.821 4.320 0.001 0.000 0.210 13 A C 1.364 179.080 177.584 0.220 0.000 1.179 13 A CA 0.664 52.807 52.037 0.177 0.000 0.827 13 A CB -0.425 18.650 19.000 0.125 0.000 0.856 13 A HN 0.948 nan 8.150 nan 0.000 0.488 14 G N -0.300 108.601 108.800 0.169 0.000 2.432 14 G HA2 0.239 4.200 3.960 0.001 0.000 0.239 14 G HA3 0.239 4.200 3.960 0.001 0.000 0.239 14 G C 0.671 175.609 174.900 0.064 0.000 1.291 14 G CA 0.155 45.327 45.100 0.119 0.000 0.863 14 G HN 0.421 nan 8.290 nan 0.000 0.560 15 K N 1.589 121.913 120.400 -0.126 0.000 2.057 15 K HA 0.066 4.386 4.320 0.001 0.000 0.206 15 K C 1.593 178.119 176.600 -0.123 0.000 1.050 15 K CA 1.035 57.162 56.287 -0.267 0.000 0.935 15 K CB -0.310 31.829 32.500 -0.601 0.000 0.715 15 K HN 1.164 nan 8.250 nan 0.000 0.439 16 G N 0.986 109.716 108.800 -0.118 0.000 2.353 16 G HA2 -0.221 3.739 3.960 0.001 0.000 0.294 16 G HA3 -0.221 3.739 3.960 0.001 0.000 0.294 16 G C 0.365 175.149 174.900 -0.193 0.000 1.077 16 G CA 0.464 45.492 45.100 -0.121 0.000 1.098 16 G HN 0.359 nan 8.290 nan 0.000 0.511 17 T N 0.328 114.742 114.554 -0.232 0.000 2.759 17 T HA -0.110 4.240 4.350 0.001 0.000 0.269 17 T C 2.458 176.784 174.700 -0.624 0.000 1.042 17 T CA 1.481 63.385 62.100 -0.326 0.000 1.140 17 T CB -0.114 68.605 68.868 -0.248 0.000 0.864 17 T HN 0.454 nan 8.240 nan 0.000 0.455 18 R N 0.667 120.857 120.500 -0.517 0.000 2.323 18 R HA 0.228 4.568 4.340 0.001 0.000 0.198 18 R C 1.801 177.837 176.300 -0.440 0.000 0.988 18 R CA 0.237 55.967 56.100 -0.616 0.000 1.041 18 R CB -0.304 29.856 30.300 -0.234 0.000 0.926 18 R HN 0.432 nan 8.270 nan 0.000 0.476 19 M N -0.770 118.614 119.600 -0.359 0.000 2.419 19 M HA -0.017 4.464 4.480 0.001 0.000 0.264 19 M C -0.095 176.194 176.300 -0.020 0.000 1.082 19 M CA 0.373 55.551 55.300 -0.204 0.000 1.119 19 M CB -0.573 31.842 32.600 -0.309 0.000 1.398 19 M HN 0.077 nan 8.290 nan 0.000 0.453 20 Y N 0.373 120.669 120.300 -0.007 0.000 3.001 20 Y HA -0.220 4.331 4.550 0.001 0.000 0.199 20 Y C 0.550 176.478 175.900 0.047 0.000 1.320 20 Y CA 0.275 58.384 58.100 0.015 0.000 0.974 20 Y CB -1.909 36.556 38.460 0.008 0.000 1.291 20 Y HN 0.217 nan 8.280 nan 0.000 0.465 21 S N -0.677 115.103 115.700 0.134 0.000 2.569 21 S HA 0.454 4.924 4.470 0.001 0.000 0.280 21 S C 0.491 175.148 174.600 0.095 0.000 1.111 21 S CA -0.847 57.445 58.200 0.153 0.000 0.887 21 S CB 1.379 64.748 63.200 0.283 0.000 1.095 21 S HN 0.245 nan 8.310 nan 0.000 0.476 22 D N 1.622 122.064 120.400 0.070 0.000 2.347 22 D HA 0.187 4.827 4.640 0.001 0.000 0.213 22 D C 0.334 176.642 176.300 0.013 0.000 0.985 22 D CA 0.531 54.555 54.000 0.040 0.000 0.879 22 D CB 0.027 40.847 40.800 0.033 0.000 0.919 22 D HN 0.391 nan 8.370 nan 0.000 0.526 23 L N 2.150 123.367 121.223 -0.010 0.000 2.395 23 L HA 0.249 4.589 4.340 0.001 0.000 0.269 23 L C -1.927 174.953 176.870 0.016 0.000 1.133 23 L CA -1.714 53.073 54.840 -0.087 0.000 0.812 23 L CB 0.909 42.778 42.059 -0.317 0.000 1.125 23 L HN -0.180 nan 8.230 nan 0.000 0.452 24 P HA 0.029 nan 4.420 nan 0.000 0.272 24 P C 0.008 177.397 177.300 0.148 0.000 1.230 24 P CA -0.432 62.715 63.100 0.079 0.000 0.788 24 P CB 0.909 32.663 31.700 0.090 0.000 0.949 25 K N 1.255 121.744 120.400 0.147 0.000 2.059 25 K HA -0.170 4.151 4.320 0.001 0.000 0.212 25 K C 1.468 178.201 176.600 0.221 0.000 1.050 25 K CA 2.472 58.856 56.287 0.162 0.000 0.927 25 K CB -0.494 32.040 32.500 0.058 0.000 0.714 25 K HN 0.373 nan 8.250 nan 0.000 0.447 26 V N -1.170 118.832 119.914 0.147 0.000 3.573 26 V HA 0.032 4.152 4.120 0.001 0.000 0.270 26 V C 1.580 177.738 176.094 0.106 0.000 1.221 26 V CA 0.764 63.135 62.300 0.119 0.000 1.163 26 V CB -0.243 31.638 31.823 0.096 0.000 0.847 26 V HN 0.198 nan 8.190 nan 0.000 0.468 27 L N -0.462 120.808 121.223 0.078 0.000 2.509 27 L HA 0.251 4.591 4.340 0.001 0.000 0.222 27 L C 0.916 177.771 176.870 -0.025 0.000 1.123 27 L CA 0.031 54.869 54.840 -0.002 0.000 0.856 27 L CB -0.507 41.472 42.059 -0.134 0.000 0.985 27 L HN 0.412 nan 8.230 nan 0.000 0.456 28 H N 0.502 119.586 119.070 0.023 0.000 2.972 28 H HA 0.045 4.601 4.556 0.001 0.000 0.343 28 H C 0.718 176.066 175.328 0.033 0.000 1.054 28 H CA 0.434 56.499 56.048 0.028 0.000 1.412 28 H CB 0.447 30.217 29.762 0.015 0.000 1.385 28 H HN 0.052 nan 8.280 nan 0.000 0.600 29 T N 1.081 115.716 114.554 0.136 0.000 2.928 29 T HA 0.541 4.891 4.350 0.001 0.000 0.284 29 T C -0.066 174.673 174.700 0.066 0.000 1.008 29 T CA -0.975 61.185 62.100 0.100 0.000 1.057 29 T CB 1.067 69.987 68.868 0.087 0.000 1.018 29 T HN 0.280 nan 8.240 nan 0.000 0.493 30 I N 1.576 122.169 120.570 0.038 0.000 2.436 30 I HA 0.496 4.666 4.170 0.001 0.000 0.289 30 I C 0.924 177.085 176.117 0.075 0.000 1.010 30 I CA -0.672 60.595 61.300 -0.056 0.000 1.098 30 I CB 0.781 38.536 38.000 -0.408 0.000 1.266 30 I HN 1.180 nan 8.210 nan 0.000 0.434 31 A N 4.864 127.750 122.820 0.110 0.000 2.745 31 A HA -0.105 4.215 4.320 0.001 0.000 0.296 31 A C 1.426 179.092 177.584 0.136 0.000 1.500 31 A CA 1.376 53.525 52.037 0.186 0.000 0.766 31 A CB -1.882 17.347 19.000 0.381 0.000 1.030 31 A HN 2.065 nan 8.150 nan 0.000 0.489 32 G N -1.859 107.000 108.800 0.097 0.000 2.184 32 G HA2 -0.280 3.681 3.960 0.001 0.000 0.264 32 G HA3 -0.280 3.681 3.960 0.001 0.000 0.264 32 G C 0.055 174.990 174.900 0.060 0.000 0.975 32 G CA 1.500 46.640 45.100 0.067 0.000 0.642 32 G HN 1.677 nan 8.290 nan 0.000 0.536 33 K N 0.799 121.254 120.400 0.091 0.000 2.345 33 K HA 0.591 4.912 4.320 0.001 0.000 0.255 33 K C -2.696 173.985 176.600 0.134 0.000 0.934 33 K CA -2.490 53.824 56.287 0.046 0.000 0.801 33 K CB 2.204 34.621 32.500 -0.139 0.000 1.137 33 K HN -0.081 nan 8.250 nan 0.000 0.424 34 P HA -0.053 nan 4.420 nan 0.000 0.265 34 P C 0.656 178.065 177.300 0.182 0.000 1.187 34 P CA 0.344 63.516 63.100 0.120 0.000 0.766 34 P CB 0.477 32.233 31.700 0.093 0.000 0.820 35 M N 2.294 121.973 119.600 0.131 0.000 2.082 35 M HA -0.190 4.290 4.480 0.001 0.000 0.258 35 M C 1.959 178.325 176.300 0.110 0.000 1.069 35 M CA 1.898 57.249 55.300 0.084 0.000 1.102 35 M CB -0.783 31.834 32.600 0.029 0.000 1.336 35 M HN 0.185 nan 8.290 nan 0.000 0.404 36 V N 0.397 120.362 119.914 0.084 0.000 2.490 36 V HA -0.264 3.856 4.120 0.001 0.000 0.250 36 V C 2.317 178.432 176.094 0.035 0.000 1.061 36 V CA 2.059 64.388 62.300 0.049 0.000 1.064 36 V CB -0.412 31.428 31.823 0.027 0.000 0.670 36 V HN 0.402 nan 8.190 nan 0.000 0.461 37 K N -0.405 120.023 120.400 0.046 0.000 2.097 37 K HA -0.177 4.143 4.320 0.001 0.000 0.205 37 K C 2.034 178.622 176.600 -0.020 0.000 1.050 37 K CA 1.864 58.146 56.287 -0.008 0.000 0.938 37 K CB -0.619 31.863 32.500 -0.030 0.000 0.718 37 K HN 0.682 nan 8.250 nan 0.000 0.442 38 H N -0.419 118.629 119.070 -0.037 0.000 2.319 38 H HA -0.118 4.438 4.556 0.001 0.000 0.297 38 H C 1.981 177.299 175.328 -0.016 0.000 1.097 38 H CA 2.013 58.038 56.048 -0.038 0.000 1.285 38 H CB -0.057 29.653 29.762 -0.087 0.000 1.368 38 H HN 0.049 nan 8.280 nan 0.000 0.495 39 V N 1.151 121.133 119.914 0.114 0.000 2.358 39 V HA -0.208 3.913 4.120 0.001 0.000 0.246 39 V C 2.683 178.783 176.094 0.011 0.000 1.047 39 V CA 1.355 63.687 62.300 0.052 0.000 1.035 39 V CB -0.513 31.329 31.823 0.031 0.000 0.658 39 V HN 0.276 nan 8.190 nan 0.000 0.452 40 I N 0.328 120.889 120.570 -0.016 0.000 2.208 40 I HA -0.255 3.915 4.170 0.001 0.000 0.245 40 I C 2.301 178.414 176.117 -0.007 0.000 1.097 40 I CA 1.676 62.947 61.300 -0.047 0.000 1.363 40 I CB -0.454 37.492 38.000 -0.090 0.000 1.051 40 I HN 0.313 nan 8.210 nan 0.000 0.413 41 D N 0.222 120.623 120.400 0.002 0.000 2.117 41 D HA -0.130 4.510 4.640 0.001 0.000 0.198 41 D C 2.251 178.593 176.300 0.071 0.000 0.982 41 D CA 1.505 55.526 54.000 0.034 0.000 0.828 41 D CB -0.337 40.460 40.800 -0.004 0.000 0.967 41 D HN 0.258 nan 8.370 nan 0.000 0.464 42 T N 0.691 115.279 114.554 0.057 0.000 2.746 42 T HA -0.108 4.242 4.350 0.001 0.000 0.267 42 T C 2.014 176.733 174.700 0.032 0.000 1.039 42 T CA 1.472 63.605 62.100 0.054 0.000 1.142 42 T CB -0.290 68.616 68.868 0.064 0.000 0.866 42 T HN 0.181 nan 8.240 nan 0.000 0.444 43 A N 1.062 123.894 122.820 0.020 0.000 1.908 43 A HA -0.206 4.114 4.320 0.001 0.000 0.218 43 A C 2.038 179.630 177.584 0.013 0.000 1.181 43 A CA 2.297 54.332 52.037 -0.004 0.000 0.627 43 A CB -0.927 18.053 19.000 -0.033 0.000 0.818 43 A HN 0.641 nan 8.150 nan 0.000 0.445 44 H N 0.472 119.511 119.070 -0.051 0.000 2.326 44 H HA -0.140 4.416 4.556 0.001 0.000 0.301 44 H C 2.261 177.570 175.328 -0.032 0.000 1.081 44 H CA 2.104 58.123 56.048 -0.049 0.000 1.334 44 H CB -0.210 29.523 29.762 -0.049 0.000 1.385 44 H HN 0.699 nan 8.280 nan 0.000 0.504 45 Q N -0.366 119.385 119.800 -0.082 0.000 2.436 45 Q HA -0.066 4.274 4.340 0.001 0.000 0.209 45 Q C 1.778 177.717 176.000 -0.102 0.000 0.965 45 Q CA 0.895 56.625 55.803 -0.123 0.000 0.910 45 Q CB -0.161 28.565 28.738 -0.019 0.000 0.980 45 Q HN 0.412 nan 8.270 nan 0.000 0.491 46 L N 0.701 121.879 121.223 -0.076 0.000 2.291 46 L HA 0.162 4.502 4.340 0.001 0.000 0.214 46 L C 1.145 177.967 176.870 -0.080 0.000 1.120 46 L CA 2.030 56.836 54.840 -0.057 0.000 0.799 46 L CB -0.141 41.897 42.059 -0.034 0.000 0.925 46 L HN 0.538 nan 8.230 nan 0.000 0.446 47 G N -1.667 107.056 108.800 -0.128 0.000 2.141 47 G HA2 -0.214 3.746 3.960 0.001 0.000 0.164 47 G HA3 -0.214 3.746 3.960 0.001 0.000 0.164 47 G C 0.340 175.182 174.900 -0.097 0.000 1.009 47 G CA 0.175 45.198 45.100 -0.128 0.000 0.677 47 G HN 0.273 nan 8.290 nan 0.000 0.508 48 S N 0.052 115.700 115.700 -0.088 0.000 2.525 48 S HA 0.280 4.750 4.470 0.001 0.000 0.285 48 S C 1.323 175.893 174.600 -0.051 0.000 1.283 48 S CA 0.555 58.715 58.200 -0.067 0.000 1.072 48 S CB 1.669 64.828 63.200 -0.069 0.000 0.867 48 S HN 0.569 nan 8.310 nan 0.000 0.492 49 E N 3.638 123.807 120.200 -0.052 0.000 2.072 49 E HA -0.074 4.276 4.350 0.001 0.000 0.190 49 E C -0.090 176.475 176.600 -0.058 0.000 0.982 49 E CA 0.848 57.227 56.400 -0.035 0.000 0.803 49 E CB 0.228 29.916 29.700 -0.020 0.000 0.755 49 E HN 0.723 nan 8.360 nan 0.000 0.453 50 N N -0.694 117.935 118.700 -0.119 0.000 2.265 50 N HA 0.445 5.186 4.740 0.001 0.000 0.300 50 N C -1.361 173.927 175.510 -0.370 0.000 1.148 50 N CA -0.596 52.309 53.050 -0.242 0.000 0.772 50 N CB 2.414 40.731 38.487 -0.283 0.000 1.434 50 N HN -0.056 nan 8.380 nan 0.000 0.481 51 I N 2.023 122.341 120.570 -0.421 0.000 2.448 51 I HA 0.190 4.361 4.170 0.001 0.000 0.281 51 I C -0.848 175.003 176.117 -0.443 0.000 1.027 51 I CA -0.689 60.379 61.300 -0.386 0.000 1.111 51 I CB 0.816 38.671 38.000 -0.241 0.000 1.236 51 I HN 0.421 nan 8.210 nan 0.000 0.452 52 H N 6.498 125.496 119.070 -0.120 0.000 2.782 52 H HA 0.273 4.830 4.556 0.001 0.000 0.285 52 H C -0.574 174.662 175.328 -0.152 0.000 1.093 52 H CA -0.701 55.270 56.048 -0.129 0.000 1.410 52 H CB 1.754 31.513 29.762 -0.006 0.000 1.439 52 H HN 0.325 nan 8.280 nan 0.000 0.469 53 L N 5.743 126.877 121.223 -0.148 0.000 2.259 53 L HA 0.222 4.562 4.340 0.001 0.000 0.288 53 L C -0.585 176.280 176.870 -0.009 0.000 1.051 53 L CA -0.485 54.236 54.840 -0.198 0.000 0.824 53 L CB 0.204 41.942 42.059 -0.535 0.000 1.206 53 L HN 0.406 nan 8.230 nan 0.000 0.429 54 I N 6.958 127.566 120.570 0.064 0.000 2.379 54 I HA 0.189 4.360 4.170 0.001 0.000 0.290 54 I C -0.132 176.130 176.117 0.242 0.000 1.063 54 I CA -0.209 61.179 61.300 0.147 0.000 1.351 54 I CB -0.324 37.723 38.000 0.078 0.000 1.410 54 I HN 0.602 nan 8.210 nan 0.000 0.505 55 Y N 4.314 124.657 120.300 0.072 0.000 2.634 55 Y HA 0.923 5.474 4.550 0.001 0.000 0.340 55 Y C 0.214 176.165 175.900 0.085 0.000 1.058 55 Y CA -0.980 57.185 58.100 0.108 0.000 1.081 55 Y CB 1.554 40.133 38.460 0.200 0.000 1.295 55 Y HN 0.548 nan 8.280 nan 0.000 0.487 56 G N -0.405 108.342 108.800 -0.088 0.000 3.311 56 G HA2 0.073 4.033 3.960 0.001 0.000 0.130 56 G HA3 0.073 4.033 3.960 0.001 0.000 0.130 56 G C -0.745 174.064 174.900 -0.153 0.000 1.323 56 G CA -0.490 44.463 45.100 -0.244 0.000 1.262 56 G HN 0.748 nan 8.290 nan 0.000 0.678 57 H N 1.317 120.395 119.070 0.013 0.000 2.928 57 H HA 0.342 4.898 4.556 0.001 0.000 0.338 57 H C 1.505 176.869 175.328 0.060 0.000 1.047 57 H CA 1.444 57.508 56.048 0.028 0.000 1.435 57 H CB 0.621 30.401 29.762 0.029 0.000 1.428 57 H HN 1.118 nan 8.280 nan 0.000 0.590 58 G N 2.630 111.529 108.800 0.165 0.000 2.305 58 G HA2 -0.303 3.658 3.960 0.001 0.000 0.287 58 G HA3 -0.303 3.658 3.960 0.001 0.000 0.287 58 G C 1.403 176.380 174.900 0.129 0.000 1.036 58 G CA 0.702 45.868 45.100 0.111 0.000 0.887 58 G HN 0.904 nan 8.290 nan 0.000 0.505 59 G N 0.136 109.017 108.800 0.135 0.000 2.476 59 G HA2 -0.206 3.754 3.960 0.001 0.000 0.218 59 G HA3 -0.206 3.754 3.960 0.001 0.000 0.218 59 G C 1.310 176.318 174.900 0.180 0.000 1.164 59 G CA 1.616 46.864 45.100 0.246 0.000 0.768 59 G HN 0.499 nan 8.290 nan 0.000 0.560 60 D N 0.415 120.863 120.400 0.079 0.000 2.144 60 D HA -0.060 4.580 4.640 0.001 0.000 0.199 60 D C 2.608 178.926 176.300 0.030 0.000 0.984 60 D CA 0.480 54.498 54.000 0.030 0.000 0.834 60 D CB -0.306 40.505 40.800 0.018 0.000 0.955 60 D HN 0.324 nan 8.370 nan 0.000 0.465 61 L N -0.004 121.238 121.223 0.031 0.000 2.093 61 L HA -0.107 4.234 4.340 0.001 0.000 0.208 61 L C 2.487 179.354 176.870 -0.005 0.000 1.085 61 L CA 0.620 55.452 54.840 -0.014 0.000 0.755 61 L CB -0.264 41.712 42.059 -0.137 0.000 0.904 61 L HN 0.022 nan 8.230 nan 0.000 0.435 62 M N -0.593 119.041 119.600 0.056 0.000 2.108 62 M HA -0.181 4.299 4.480 0.001 0.000 0.261 62 M C 2.423 178.802 176.300 0.130 0.000 1.066 62 M CA 1.686 57.075 55.300 0.148 0.000 1.107 62 M CB -1.038 31.740 32.600 0.296 0.000 1.356 62 M HN 0.225 nan 8.290 nan 0.000 0.406 63 R N -0.180 120.254 120.500 -0.110 0.000 2.092 63 R HA -0.077 4.263 4.340 0.001 0.000 0.231 63 R C 2.235 178.460 176.300 -0.126 0.000 1.119 63 R CA 2.030 57.893 56.100 -0.395 0.000 0.970 63 R CB -1.199 28.824 30.300 -0.462 0.000 0.864 63 R HN 0.574 nan 8.270 nan 0.000 0.440 64 T N -2.137 112.425 114.554 0.014 0.000 2.851 64 T HA -0.075 4.276 4.350 0.001 0.000 0.262 64 T C 1.639 176.402 174.700 0.105 0.000 1.043 64 T CA 1.013 63.148 62.100 0.059 0.000 1.140 64 T CB -0.380 68.544 68.868 0.094 0.000 0.872 64 T HN 0.229 nan 8.240 nan 0.000 0.446 65 H N 1.039 120.116 119.070 0.012 0.000 2.495 65 H HA 0.356 4.912 4.556 0.001 0.000 0.287 65 H C 1.194 176.551 175.328 0.049 0.000 1.033 65 H CA 0.651 56.714 56.048 0.026 0.000 1.307 65 H CB -0.165 29.614 29.762 0.029 0.000 1.401 65 H HN 0.331 nan 8.280 nan 0.000 0.555 66 L N -0.552 120.802 121.223 0.218 0.000 3.202 66 L HA 0.394 4.734 4.340 0.001 0.000 0.278 66 L C 1.695 178.712 176.870 0.245 0.000 1.268 66 L CA -0.066 54.903 54.840 0.214 0.000 1.034 66 L CB 0.492 42.712 42.059 0.269 0.000 1.407 66 L HN 0.137 nan 8.230 nan 0.000 0.581 67 A N 0.479 123.374 122.820 0.126 0.000 1.940 67 A HA -0.228 4.092 4.320 0.001 0.000 0.219 67 A C 1.923 179.563 177.584 0.092 0.000 1.176 67 A CA 2.089 54.168 52.037 0.070 0.000 0.631 67 A CB -0.348 18.648 19.000 -0.007 0.000 0.814 67 A HN 0.493 nan 8.150 nan 0.000 0.446 68 N N 0.006 118.743 118.700 0.063 0.000 2.336 68 N HA 0.028 4.768 4.740 0.001 0.000 0.189 68 N C -0.480 175.040 175.510 0.017 0.000 1.113 68 N CA 0.022 53.090 53.050 0.030 0.000 0.858 68 N CB 0.049 38.535 38.487 -0.002 0.000 0.970 68 N HN 0.284 nan 8.380 nan 0.000 0.471 69 E N 0.689 120.915 120.200 0.043 0.000 2.344 69 E HA 0.032 4.382 4.350 0.001 0.000 0.270 69 E C -0.221 176.346 176.600 -0.055 0.000 1.021 69 E CA 0.108 56.486 56.400 -0.037 0.000 0.887 69 E CB 0.517 30.170 29.700 -0.078 0.000 0.997 69 E HN 0.332 nan 8.360 nan 0.000 0.429 70 Q N 1.619 121.351 119.800 -0.114 0.000 2.664 70 Q HA 0.218 4.558 4.340 0.001 0.000 0.223 70 Q C -0.004 175.893 176.000 -0.172 0.000 1.298 70 Q CA -0.274 55.460 55.803 -0.114 0.000 0.965 70 Q CB -0.061 28.602 28.738 -0.124 0.000 1.510 70 Q HN 0.308 nan 8.270 nan 0.000 0.567 71 V N -1.268 118.510 119.914 -0.228 0.000 3.078 71 V HA 0.463 4.583 4.120 0.001 0.000 0.311 71 V C -0.838 175.038 176.094 -0.364 0.000 1.138 71 V CA -1.306 60.771 62.300 -0.371 0.000 1.007 71 V CB 2.287 33.750 31.823 -0.599 0.000 1.045 71 V HN 0.560 nan 8.190 nan 0.000 0.432 72 N N 1.943 120.451 118.700 -0.319 0.000 2.414 72 N HA 0.289 5.030 4.740 0.001 0.000 0.256 72 N C -1.343 174.025 175.510 -0.237 0.000 1.029 72 N CA -0.573 52.359 53.050 -0.198 0.000 0.948 72 N CB 0.656 39.086 38.487 -0.096 0.000 1.102 72 N HN 0.771 nan 8.380 nan 0.000 0.496 73 W N 4.102 125.344 121.300 -0.096 0.000 2.546 73 W HA 0.240 4.901 4.660 0.001 0.000 0.323 73 W C -0.281 176.311 176.519 0.121 0.000 1.272 73 W CA -0.612 56.701 57.345 -0.053 0.000 1.404 73 W CB 0.539 29.924 29.460 -0.125 0.000 1.411 73 W HN 0.125 nan 8.180 nan 0.000 0.480 74 V N 6.571 126.696 119.914 0.351 0.000 2.277 74 V HA 0.122 4.243 4.120 0.001 0.000 0.269 74 V C -0.209 176.064 176.094 0.297 0.000 1.036 74 V CA -0.974 61.485 62.300 0.264 0.000 0.821 74 V CB 0.490 32.384 31.823 0.119 0.000 1.052 74 V HN 0.240 nan 8.190 nan 0.000 0.462 75 L N 6.488 127.813 121.223 0.170 0.000 2.342 75 L HA 0.373 4.713 4.340 0.001 0.000 0.285 75 L C 0.557 177.328 176.870 -0.164 0.000 1.095 75 L CA 0.128 54.802 54.840 -0.277 0.000 0.843 75 L CB 0.933 42.800 42.059 -0.321 0.000 1.201 75 L HN 0.838 nan 8.230 nan 0.000 0.445 76 Q N 1.758 121.459 119.800 -0.164 0.000 2.267 76 Q HA 0.329 4.669 4.340 0.001 0.000 0.255 76 Q C 0.374 176.305 176.000 -0.115 0.000 0.923 76 Q CA 0.082 55.828 55.803 -0.095 0.000 0.925 76 Q CB 0.860 29.570 28.738 -0.047 0.000 1.195 76 Q HN 0.726 nan 8.270 nan 0.000 0.417 77 T N -0.367 114.149 114.554 -0.064 0.000 3.057 77 T HA 0.083 4.433 4.350 0.001 0.000 0.254 77 T C -0.182 174.487 174.700 -0.051 0.000 1.094 77 T CA 0.332 62.387 62.100 -0.074 0.000 1.088 77 T CB -0.116 68.723 68.868 -0.048 0.000 0.934 77 T HN 0.780 nan 8.240 nan 0.000 0.497 78 E N 0.469 120.672 120.200 0.006 0.000 2.331 78 E HA 0.398 4.749 4.350 0.001 0.000 0.275 78 E C -1.309 175.330 176.600 0.064 0.000 0.895 78 E CA -1.063 55.345 56.400 0.014 0.000 0.753 78 E CB 1.386 31.087 29.700 0.002 0.000 1.216 78 E HN -0.147 nan 8.360 nan 0.000 0.434 79 Q N 2.795 122.626 119.800 0.052 0.000 2.441 79 Q HA 0.227 4.567 4.340 0.001 0.000 0.234 79 Q C -0.512 175.521 176.000 0.054 0.000 1.078 79 Q CA -0.064 55.788 55.803 0.082 0.000 0.907 79 Q CB 0.534 29.328 28.738 0.093 0.000 1.269 79 Q HN 0.706 nan 8.270 nan 0.000 0.502 80 L N 2.234 123.501 121.223 0.073 0.000 3.066 80 L HA 0.421 4.761 4.340 0.001 0.000 0.265 80 L C 0.651 177.591 176.870 0.117 0.000 1.232 80 L CA -0.172 54.689 54.840 0.035 0.000 1.031 80 L CB 0.431 42.400 42.059 -0.149 0.000 1.379 80 L HN 0.748 nan 8.230 nan 0.000 0.563 81 G N 0.077 108.921 108.800 0.073 0.000 2.555 81 G HA2 -0.216 3.744 3.960 0.001 0.000 0.686 81 G HA3 -0.216 3.744 3.960 0.001 0.000 0.686 81 G C 0.486 175.447 174.900 0.101 0.000 1.275 81 G CA -0.195 44.903 45.100 -0.003 0.000 0.871 81 G HN 0.155 nan 8.290 nan 0.000 0.603 82 T N -1.863 112.740 114.554 0.082 0.000 2.904 82 T HA 0.280 4.631 4.350 0.001 0.000 0.267 82 T C 2.604 177.412 174.700 0.179 0.000 1.059 82 T CA 2.221 64.418 62.100 0.162 0.000 1.137 82 T CB -0.187 68.820 68.868 0.231 0.000 0.879 82 T HN 1.989 nan 8.240 nan 0.000 0.467 83 A N 1.509 124.453 122.820 0.206 0.000 1.898 83 A HA -0.083 4.238 4.320 0.001 0.000 0.216 83 A C 2.202 179.875 177.584 0.148 0.000 1.181 83 A CA 1.894 54.063 52.037 0.220 0.000 0.620 83 A CB -1.215 17.951 19.000 0.276 0.000 0.819 83 A HN 0.714 nan 8.150 nan 0.000 0.442 84 H N 0.118 119.212 119.070 0.040 0.000 2.387 84 H HA 0.031 4.587 4.556 0.001 0.000 0.299 84 H C 2.100 177.411 175.328 -0.028 0.000 1.090 84 H CA 1.791 57.797 56.048 -0.070 0.000 1.332 84 H CB -0.229 29.473 29.762 -0.101 0.000 1.386 84 H HN 0.385 nan 8.280 nan 0.000 0.516 85 A N -0.109 122.691 122.820 -0.033 0.000 1.858 85 A HA -0.112 4.208 4.320 0.001 0.000 0.216 85 A C 2.681 180.217 177.584 -0.080 0.000 1.190 85 A CA 1.757 53.754 52.037 -0.066 0.000 0.617 85 A CB -0.961 18.069 19.000 0.051 0.000 0.827 85 A HN 0.325 nan 8.150 nan 0.000 0.443 86 V N 0.125 120.033 119.914 -0.009 0.000 2.490 86 V HA -0.284 3.836 4.120 0.001 0.000 0.250 86 V C 2.654 178.696 176.094 -0.086 0.000 1.061 86 V CA 2.180 64.482 62.300 0.003 0.000 1.064 86 V CB -0.795 31.070 31.823 0.071 0.000 0.670 86 V HN 0.760 nan 8.190 nan 0.000 0.461 87 Q N -0.597 119.132 119.800 -0.119 0.000 2.226 87 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 87 Q C 2.306 178.133 176.000 -0.289 0.000 0.975 87 Q CA 1.161 56.847 55.803 -0.194 0.000 0.866 87 Q CB -0.001 28.645 28.738 -0.152 0.000 0.915 87 Q HN 0.614 nan 8.270 nan 0.000 0.440 88 Q N -0.656 118.972 119.800 -0.287 0.000 2.170 88 Q HA -0.142 4.198 4.340 0.001 0.000 0.203 88 Q C 1.702 177.603 176.000 -0.164 0.000 0.976 88 Q CA 1.438 57.104 55.803 -0.228 0.000 0.858 88 Q CB -0.069 28.556 28.738 -0.188 0.000 0.907 88 Q HN 0.458 nan 8.270 nan 0.000 0.433 89 A N 0.329 123.016 122.820 -0.222 0.000 2.147 89 A HA 0.265 4.586 4.320 0.001 0.000 0.211 89 A C 2.254 179.361 177.584 -0.796 0.000 1.160 89 A CA 0.874 52.752 52.037 -0.266 0.000 0.781 89 A CB -0.189 18.713 19.000 -0.163 0.000 0.842 89 A HN 0.296 nan 8.150 nan 0.000 0.475 90 A N 1.194 123.377 122.820 -1.063 0.000 1.948 90 A HA -0.080 4.240 4.320 0.001 0.000 0.220 90 A C 0.034 177.048 177.584 -0.950 0.000 1.177 90 A CA 1.930 53.047 52.037 -1.534 0.000 0.636 90 A CB -1.613 16.958 19.000 -0.714 0.000 0.815 90 A HN 0.437 nan 8.150 nan 0.000 0.449 91 P HA -0.114 nan 4.420 nan 0.000 0.223 91 P C 0.546 177.436 177.300 -0.684 0.000 1.144 91 P CA 0.908 63.596 63.100 -0.687 0.000 0.783 91 P CB -0.162 31.034 31.700 -0.839 0.000 0.771 92 F N -2.725 117.024 119.950 -0.335 0.000 2.776 92 F HA 0.202 4.730 4.527 0.001 0.000 0.300 92 F C 1.109 176.972 175.800 0.106 0.000 1.116 92 F CA -0.465 57.447 58.000 -0.147 0.000 1.375 92 F CB -0.814 38.024 39.000 -0.271 0.000 1.109 92 F HN -0.197 nan 8.300 nan 0.000 0.585 93 F N 2.019 121.994 119.950 0.040 0.000 2.538 93 F HA 0.133 4.661 4.527 0.001 0.000 0.371 93 F C 0.935 176.768 175.800 0.054 0.000 1.087 93 F CA -0.809 57.233 58.000 0.070 0.000 1.250 93 F CB 0.379 39.395 39.000 0.026 0.000 1.110 93 F HN -0.259 nan 8.300 nan 0.000 0.570 94 K N 2.816 123.365 120.400 0.248 0.000 2.270 94 K HA 0.021 4.341 4.320 0.001 0.000 0.276 94 K C 0.291 176.959 176.600 0.115 0.000 1.023 94 K CA -0.609 55.762 56.287 0.140 0.000 0.955 94 K CB 0.900 33.460 32.500 0.101 0.000 0.975 94 K HN 0.544 nan 8.250 nan 0.000 0.471 95 D N 1.491 121.937 120.400 0.076 0.000 2.149 95 D HA -0.144 4.496 4.640 0.001 0.000 0.198 95 D C 0.711 177.031 176.300 0.033 0.000 0.990 95 D CA 1.635 55.665 54.000 0.050 0.000 0.839 95 D CB 0.084 40.896 40.800 0.021 0.000 0.948 95 D HN 0.425 nan 8.370 nan 0.000 0.460 96 N N 0.322 119.039 118.700 0.029 0.000 2.321 96 N HA 0.053 4.793 4.740 0.001 0.000 0.242 96 N C -0.728 174.792 175.510 0.017 0.000 1.141 96 N CA -0.121 52.939 53.050 0.017 0.000 0.864 96 N CB 0.493 38.987 38.487 0.011 0.000 1.100 96 N HN 0.320 nan 8.380 nan 0.000 0.510 97 E N -1.232 118.982 120.200 0.023 0.000 2.221 97 E HA 0.356 4.707 4.350 0.001 0.000 0.268 97 E C -0.748 175.852 176.600 -0.000 0.000 0.933 97 E CA -0.922 55.483 56.400 0.010 0.000 0.809 97 E CB 0.914 30.621 29.700 0.012 0.000 1.190 97 E HN -0.089 nan 8.360 nan 0.000 0.406 98 N N 1.636 120.332 118.700 -0.006 0.000 2.525 98 N HA 0.226 4.967 4.740 0.001 0.000 0.271 98 N C -0.630 174.850 175.510 -0.050 0.000 1.194 98 N CA -0.044 53.005 53.050 -0.000 0.000 0.964 98 N CB 0.600 39.092 38.487 0.007 0.000 1.126 98 N HN 0.447 nan 8.380 nan 0.000 0.452 99 I N 1.551 122.101 120.570 -0.033 0.000 2.466 99 I HA 0.246 4.416 4.170 0.001 0.000 0.289 99 I C -0.219 175.874 176.117 -0.040 0.000 1.026 99 I CA -0.768 60.415 61.300 -0.195 0.000 1.078 99 I CB 1.501 39.123 38.000 -0.629 0.000 1.249 99 I HN 0.052 nan 8.210 nan 0.000 0.429 100 V N 7.918 127.778 119.914 -0.091 0.000 2.483 100 V HA 0.543 4.663 4.120 0.001 0.000 0.295 100 V C -0.489 175.546 176.094 -0.098 0.000 1.035 100 V CA -0.366 61.915 62.300 -0.032 0.000 0.896 100 V CB 2.138 33.947 31.823 -0.024 0.000 0.986 100 V HN 0.430 nan 8.190 nan 0.000 0.447 101 V N 8.156 128.033 119.914 -0.060 0.000 2.398 101 V HA 0.550 4.671 4.120 0.001 0.000 0.286 101 V C -0.041 175.895 176.094 -0.262 0.000 1.026 101 V CA -0.334 61.867 62.300 -0.165 0.000 0.868 101 V CB 1.241 33.011 31.823 -0.088 0.000 0.982 101 V HN 0.758 nan 8.190 nan 0.000 0.443 102 L N 4.302 125.282 121.223 -0.406 0.000 2.303 102 L HA 0.670 5.010 4.340 0.001 0.000 0.256 102 L C -1.511 174.961 176.870 -0.663 0.000 1.034 102 L CA -0.921 53.684 54.840 -0.391 0.000 0.832 102 L CB 2.388 44.365 42.059 -0.137 0.000 1.403 102 L HN 0.464 nan 8.230 nan 0.000 0.419 103 Y N -1.042 119.275 120.300 0.029 0.000 2.350 103 Y HA 0.350 4.901 4.550 0.001 0.000 0.338 103 Y C 1.019 176.932 175.900 0.022 0.000 0.961 103 Y CA -0.685 57.434 58.100 0.032 0.000 1.100 103 Y CB 1.955 40.437 38.460 0.036 0.000 1.179 103 Y HN 0.678 nan 8.280 nan 0.000 0.454 104 G N 0.847 109.725 108.800 0.130 0.000 2.559 104 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 104 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 104 G C 0.722 175.676 174.900 0.089 0.000 1.126 104 G CA 0.929 46.080 45.100 0.085 0.000 0.778 104 G HN 0.750 nan 8.290 nan 0.000 0.543 105 D N -0.334 120.132 120.400 0.111 0.000 2.363 105 D HA 0.361 5.001 4.640 0.001 0.000 0.214 105 D C 0.888 177.213 176.300 0.042 0.000 1.093 105 D CA 0.087 54.126 54.000 0.065 0.000 0.837 105 D CB 0.165 40.997 40.800 0.054 0.000 0.948 105 D HN 0.140 nan 8.370 nan 0.000 0.507 106 A N 1.872 124.733 122.820 0.069 0.000 2.978 106 A HA 0.439 4.760 4.320 0.001 0.000 0.341 106 A C -1.904 175.695 177.584 0.024 0.000 1.105 106 A CA -1.018 51.042 52.037 0.039 0.000 0.819 106 A CB 1.154 20.200 19.000 0.078 0.000 1.080 106 A HN -0.034 nan 8.150 nan 0.000 0.476 107 P HA -0.009 nan 4.420 nan 0.000 0.236 107 P C 0.844 178.100 177.300 -0.073 0.000 1.177 107 P CA 0.541 63.592 63.100 -0.082 0.000 0.773 107 P CB 0.257 31.796 31.700 -0.269 0.000 0.878 108 L N -0.959 120.242 121.223 -0.036 0.000 2.592 108 L HA 0.170 4.511 4.340 0.001 0.000 0.227 108 L C 1.199 178.132 176.870 0.106 0.000 1.127 108 L CA -0.713 54.162 54.840 0.058 0.000 0.884 108 L CB -0.395 41.725 42.059 0.101 0.000 1.065 108 L HN -0.068 nan 8.230 nan 0.000 0.457 109 I N 1.715 122.329 120.570 0.073 0.000 2.752 109 I HA -0.072 4.098 4.170 0.001 0.000 0.289 109 I C 0.953 177.128 176.117 0.097 0.000 1.197 109 I CA 0.416 61.764 61.300 0.079 0.000 1.432 109 I CB 0.714 38.757 38.000 0.071 0.000 1.359 109 I HN 0.132 nan 8.210 nan 0.000 0.571 110 T N 3.482 118.092 114.554 0.094 0.000 2.943 110 T HA 0.321 4.671 4.350 0.001 0.000 0.284 110 T C 0.931 175.672 174.700 0.068 0.000 1.015 110 T CA -0.521 61.637 62.100 0.097 0.000 1.042 110 T CB 1.393 70.324 68.868 0.104 0.000 1.055 110 T HN 0.747 nan 8.240 nan 0.000 0.500 111 K N 0.636 121.073 120.400 0.063 0.000 2.063 111 K HA -0.202 4.118 4.320 0.001 0.000 0.208 111 K C 1.699 178.319 176.600 0.033 0.000 1.048 111 K CA 1.840 58.151 56.287 0.040 0.000 0.928 111 K CB -0.172 32.348 32.500 0.034 0.000 0.713 111 K HN 0.683 nan 8.250 nan 0.000 0.442 112 E N 0.024 120.248 120.200 0.039 0.000 2.072 112 E HA -0.098 4.252 4.350 0.001 0.000 0.191 112 E C 1.990 178.609 176.600 0.032 0.000 0.985 112 E CA 1.805 58.224 56.400 0.032 0.000 0.801 112 E CB -0.303 29.418 29.700 0.035 0.000 0.750 112 E HN 0.298 nan 8.360 nan 0.000 0.452 113 T N 0.766 115.343 114.554 0.040 0.000 2.746 113 T HA -0.081 4.270 4.350 0.001 0.000 0.267 113 T C 1.745 176.465 174.700 0.033 0.000 1.039 113 T CA 0.853 62.975 62.100 0.037 0.000 1.142 113 T CB -0.178 68.716 68.868 0.044 0.000 0.866 113 T HN 0.070 nan 8.240 nan 0.000 0.444 114 L N 0.418 121.661 121.223 0.033 0.000 2.217 114 L HA 0.007 4.347 4.340 0.001 0.000 0.211 114 L C 2.606 179.488 176.870 0.020 0.000 1.107 114 L CA 1.088 55.945 54.840 0.028 0.000 0.783 114 L CB -0.439 41.635 42.059 0.025 0.000 0.919 114 L HN 0.309 nan 8.230 nan 0.000 0.442 115 E N 0.274 120.484 120.200 0.017 0.000 2.106 115 E HA -0.192 4.159 4.350 0.001 0.000 0.192 115 E C 2.098 178.706 176.600 0.013 0.000 0.984 115 E CA 0.902 57.309 56.400 0.011 0.000 0.806 115 E CB 0.114 29.819 29.700 0.008 0.000 0.750 115 E HN 0.397 nan 8.360 nan 0.000 0.458 116 K N 0.409 120.819 120.400 0.017 0.000 2.097 116 K HA -0.131 4.189 4.320 0.001 0.000 0.205 116 K C 2.146 178.758 176.600 0.019 0.000 1.050 116 K CA 0.559 56.856 56.287 0.017 0.000 0.938 116 K CB -0.061 32.449 32.500 0.018 0.000 0.718 116 K HN 0.031 nan 8.250 nan 0.000 0.442 117 L N 1.442 122.679 121.223 0.023 0.000 2.027 117 L HA -0.116 4.224 4.340 0.001 0.000 0.206 117 L C 1.913 178.799 176.870 0.027 0.000 1.074 117 L CA 1.525 56.382 54.840 0.028 0.000 0.745 117 L CB -0.186 41.894 42.059 0.036 0.000 0.898 117 L HN 0.101 nan 8.230 nan 0.000 0.433 118 I N -0.614 119.970 120.570 0.024 0.000 2.252 118 I HA -0.269 3.902 4.170 0.001 0.000 0.245 118 I C 2.505 178.632 176.117 0.018 0.000 1.102 118 I CA 1.480 62.793 61.300 0.021 0.000 1.385 118 I CB -0.331 37.677 38.000 0.013 0.000 1.064 118 I HN 0.417 nan 8.210 nan 0.000 0.414 119 E N 1.222 121.430 120.200 0.014 0.000 2.153 119 E HA -0.226 4.124 4.350 0.001 0.000 0.194 119 E C 2.133 178.741 176.600 0.013 0.000 0.988 119 E CA 1.207 57.614 56.400 0.012 0.000 0.811 119 E CB 0.027 29.733 29.700 0.010 0.000 0.746 119 E HN 0.505 nan 8.360 nan 0.000 0.466 120 A N 1.034 123.864 122.820 0.016 0.000 2.169 120 A HA -0.025 4.295 4.320 0.001 0.000 0.212 120 A C 1.198 178.793 177.584 0.018 0.000 1.153 120 A CA 0.003 52.049 52.037 0.016 0.000 0.756 120 A CB -0.142 18.867 19.000 0.016 0.000 0.813 120 A HN 0.025 nan 8.150 nan 0.000 0.471 121 K N 2.033 122.446 120.400 0.022 0.000 2.419 121 K HA 0.119 4.439 4.320 0.001 0.000 0.282 121 K C -2.481 174.134 176.600 0.025 0.000 1.056 121 K CA -1.360 54.943 56.287 0.027 0.000 1.035 121 K CB 0.441 32.961 32.500 0.032 0.000 0.921 121 K HN 0.157 nan 8.250 nan 0.000 0.472 122 P HA 0.105 nan 4.420 nan 0.000 0.277 122 P C -0.688 176.631 177.300 0.032 0.000 1.240 122 P CA -0.259 62.857 63.100 0.026 0.000 0.798 122 P CB 0.687 32.403 31.700 0.027 0.000 0.979 123 E N 2.006 122.221 120.200 0.026 0.000 2.392 123 E HA -0.003 4.347 4.350 0.001 0.000 0.264 123 E C 0.676 177.296 176.600 0.034 0.000 1.024 123 E CA 0.200 56.614 56.400 0.023 0.000 0.903 123 E CB -0.087 29.622 29.700 0.015 0.000 0.963 123 E HN 0.405 nan 8.360 nan 0.000 0.432 124 N N 0.195 118.911 118.700 0.026 0.000 2.778 124 N HA -0.187 4.553 4.740 0.001 0.000 0.249 124 N C 0.270 175.865 175.510 0.142 0.000 1.069 124 N CA 1.446 54.517 53.050 0.035 0.000 0.831 124 N CB -1.141 37.364 38.487 0.031 0.000 1.142 124 N HN 0.623 nan 8.380 nan 0.000 0.573 125 G N -0.647 108.232 108.800 0.132 0.000 3.075 125 G HA2 0.837 4.797 3.960 0.001 0.000 0.253 125 G HA3 0.837 4.797 3.960 0.001 0.000 0.253 125 G C -0.461 174.524 174.900 0.141 0.000 1.353 125 G CA -0.621 44.581 45.100 0.169 0.000 1.051 125 G HN 0.105 nan 8.290 nan 0.000 0.553 126 I N 0.149 120.762 120.570 0.072 0.000 2.608 126 I HA 0.573 4.744 4.170 0.001 0.000 0.295 126 I C -0.046 176.085 176.117 0.023 0.000 1.049 126 I CA -0.999 60.322 61.300 0.034 0.000 1.063 126 I CB 2.424 40.410 38.000 -0.023 0.000 1.248 126 I HN 0.536 nan 8.210 nan 0.000 0.424 127 A N 6.010 128.851 122.820 0.035 0.000 2.271 127 A HA 0.729 5.049 4.320 0.001 0.000 0.317 127 A C -1.132 176.478 177.584 0.043 0.000 1.245 127 A CA -0.406 51.651 52.037 0.033 0.000 0.857 127 A CB 0.940 19.962 19.000 0.036 0.000 1.175 127 A HN 0.566 nan 8.150 nan 0.000 0.512 128 L N 3.412 124.654 121.223 0.033 0.000 2.287 128 L HA 0.581 4.922 4.340 0.001 0.000 0.287 128 L C -0.746 176.146 176.870 0.038 0.000 1.022 128 L CA -0.705 54.159 54.840 0.041 0.000 0.814 128 L CB 1.378 43.451 42.059 0.024 0.000 1.217 128 L HN 0.637 nan 8.230 nan 0.000 0.420 129 L N 5.443 126.697 121.223 0.051 0.000 2.361 129 L HA 0.516 4.856 4.340 0.001 0.000 0.278 129 L C 0.301 177.185 176.870 0.023 0.000 1.113 129 L CA 0.647 55.510 54.840 0.039 0.000 0.849 129 L CB 0.648 42.739 42.059 0.054 0.000 1.155 129 L HN 0.909 nan 8.230 nan 0.000 0.452 130 T N 2.146 116.703 114.554 0.006 0.000 2.910 130 T HA 0.811 5.161 4.350 0.001 0.000 0.287 130 T C -0.690 173.994 174.700 -0.028 0.000 1.050 130 T CA -0.820 61.272 62.100 -0.013 0.000 1.011 130 T CB 1.721 70.582 68.868 -0.011 0.000 1.195 130 T HN 0.522 nan 8.240 nan 0.000 0.540 131 V N 0.407 120.291 119.914 -0.050 0.000 3.048 131 V HA 0.495 4.615 4.120 0.001 0.000 0.303 131 V C -1.596 174.459 176.094 -0.065 0.000 1.214 131 V CA -1.102 61.162 62.300 -0.060 0.000 0.984 131 V CB 2.364 34.135 31.823 -0.088 0.000 1.054 131 V HN 1.092 nan 8.190 nan 0.000 0.430 132 N N 5.140 123.811 118.700 -0.049 0.000 2.455 132 N HA 0.679 5.420 4.740 0.001 0.000 0.280 132 N C -1.146 174.335 175.510 -0.050 0.000 1.055 132 N CA -0.400 52.626 53.050 -0.041 0.000 0.961 132 N CB 1.338 39.811 38.487 -0.023 0.000 1.121 132 N HN 0.478 nan 8.380 nan 0.000 0.476 133 L N 1.338 122.534 121.223 -0.045 0.000 2.362 133 L HA 0.329 4.670 4.340 0.001 0.000 0.271 133 L C 0.664 177.529 176.870 -0.009 0.000 1.002 133 L CA -0.753 54.064 54.840 -0.038 0.000 0.818 133 L CB 1.891 43.917 42.059 -0.054 0.000 1.298 133 L HN 0.542 nan 8.230 nan 0.000 0.420 134 D N 0.648 121.047 120.400 -0.003 0.000 2.117 134 D HA -0.101 4.539 4.640 0.001 0.000 0.198 134 D C 0.467 176.777 176.300 0.017 0.000 0.982 134 D CA 1.611 55.614 54.000 0.006 0.000 0.828 134 D CB 0.218 41.022 40.800 0.007 0.000 0.967 134 D HN 0.356 nan 8.370 nan 0.000 0.464 135 N N 0.594 119.311 118.700 0.028 0.000 2.706 135 N HA 0.124 4.864 4.740 0.001 0.000 0.240 135 N C -2.341 173.221 175.510 0.086 0.000 1.039 135 N CA -1.644 51.433 53.050 0.045 0.000 0.888 135 N CB 1.464 39.976 38.487 0.042 0.000 1.128 135 N HN -0.156 nan 8.380 nan 0.000 0.512 136 P HA 0.108 nan 4.420 nan 0.000 0.256 136 P C -0.457 176.957 177.300 0.189 0.000 1.384 136 P CA -0.094 63.100 63.100 0.156 0.000 0.879 136 P CB -0.218 31.531 31.700 0.083 0.000 1.403 137 T N 0.522 115.138 114.554 0.103 0.000 2.902 137 T HA 0.340 4.691 4.350 0.001 0.000 0.301 137 T C 1.508 176.142 174.700 -0.110 0.000 1.012 137 T CA 1.379 63.485 62.100 0.009 0.000 1.151 137 T CB 0.233 69.095 68.868 -0.011 0.000 0.946 137 T HN 0.363 nan 8.240 nan 0.000 0.542 138 G N 2.317 111.016 108.800 -0.169 0.000 2.234 138 G HA2 -0.219 3.741 3.960 0.001 0.000 0.235 138 G HA3 -0.219 3.741 3.960 0.001 0.000 0.235 138 G C -0.123 174.538 174.900 -0.399 0.000 0.997 138 G CA -0.347 44.547 45.100 -0.344 0.000 0.623 138 G HN 0.698 nan 8.290 nan 0.000 0.514 139 Y N 0.835 121.114 120.300 -0.037 0.000 2.420 139 Y HA 0.564 5.114 4.550 0.001 0.000 0.334 139 Y C 1.193 177.066 175.900 -0.045 0.000 1.094 139 Y CA -0.434 57.641 58.100 -0.042 0.000 1.126 139 Y CB 1.604 40.042 38.460 -0.037 0.000 1.217 139 Y HN 0.280 nan 8.280 nan 0.000 0.462 140 G N 2.589 111.458 108.800 0.114 0.000 2.334 140 G HA2 0.262 4.222 3.960 0.001 0.000 0.261 140 G HA3 0.262 4.222 3.960 0.001 0.000 0.261 140 G C -0.290 174.632 174.900 0.036 0.000 1.257 140 G CA -0.504 44.616 45.100 0.035 0.000 0.935 140 G HN 0.431 nan 8.290 nan 0.000 0.480 141 R N 1.204 121.714 120.500 0.017 0.000 2.490 141 R HA 0.245 4.585 4.340 0.001 0.000 0.280 141 R C 0.595 176.894 176.300 -0.003 0.000 1.077 141 R CA -0.671 55.434 56.100 0.010 0.000 1.065 141 R CB 0.639 30.942 30.300 0.005 0.000 1.003 141 R HN 0.319 nan 8.270 nan 0.000 0.470 142 I N 5.041 125.608 120.570 -0.005 0.000 2.352 142 I HA 0.152 4.323 4.170 0.001 0.000 0.290 142 I C 0.024 176.134 176.117 -0.012 0.000 1.036 142 I CA -0.409 60.885 61.300 -0.010 0.000 1.336 142 I CB 0.574 38.568 38.000 -0.010 0.000 1.407 142 I HN 0.353 nan 8.210 nan 0.000 0.497 143 I N 7.292 127.853 120.570 -0.016 0.000 2.307 143 I HA 0.333 4.503 4.170 0.001 0.000 0.289 143 I C 0.516 176.623 176.117 -0.017 0.000 1.021 143 I CA -0.516 60.775 61.300 -0.016 0.000 1.224 143 I CB 0.459 38.447 38.000 -0.019 0.000 1.376 143 I HN 0.395 nan 8.210 nan 0.000 0.470 144 R N 4.971 125.464 120.500 -0.013 0.000 2.294 144 R HA 0.501 4.841 4.340 0.001 0.000 0.319 144 R C -0.419 175.874 176.300 -0.012 0.000 0.984 144 R CA -0.515 55.577 56.100 -0.013 0.000 0.861 144 R CB 1.695 31.989 30.300 -0.010 0.000 1.104 144 R HN 0.507 nan 8.270 nan 0.000 0.451 145 E N 3.249 123.442 120.200 -0.013 0.000 2.155 145 E HA 0.188 4.538 4.350 0.001 0.000 0.264 145 E C -0.388 176.207 176.600 -0.009 0.000 0.886 145 E CA -0.632 55.762 56.400 -0.011 0.000 0.752 145 E CB 1.012 30.704 29.700 -0.012 0.000 1.133 145 E HN 0.567 nan 8.360 nan 0.000 0.414 146 N N 1.776 120.472 118.700 -0.007 0.000 1.217 146 N HA -0.219 4.522 4.740 0.001 0.000 0.134 146 N C 0.752 176.259 175.510 -0.005 0.000 0.831 146 N CA 1.442 54.489 53.050 -0.005 0.000 0.924 146 N CB -1.055 37.430 38.487 -0.004 0.000 1.146 146 N HN 0.647 nan 8.380 nan 0.000 0.558 147 G N 0.667 109.465 108.800 -0.004 0.000 3.523 147 G HA2 0.378 4.338 3.960 0.001 0.000 0.270 147 G HA3 0.378 4.338 3.960 0.001 0.000 0.270 147 G C -0.191 174.706 174.900 -0.005 0.000 1.134 147 G CA -0.011 45.087 45.100 -0.003 0.000 0.825 147 G HN 0.514 nan 8.290 nan 0.000 0.534 148 N N -0.813 117.882 118.700 -0.008 0.000 2.292 148 N HA 0.510 5.250 4.740 0.001 0.000 0.303 148 N C -1.052 174.447 175.510 -0.018 0.000 1.140 148 N CA -0.817 52.226 53.050 -0.012 0.000 0.788 148 N CB 2.933 41.412 38.487 -0.013 0.000 1.361 148 N HN -0.175 nan 8.380 nan 0.000 0.489 149 V N 2.023 121.923 119.914 -0.023 0.000 2.408 149 V HA 0.067 4.187 4.120 0.001 0.000 0.267 149 V C 1.225 177.294 176.094 -0.041 0.000 1.047 149 V CA -0.309 61.974 62.300 -0.029 0.000 0.937 149 V CB 0.869 32.674 31.823 -0.029 0.000 0.999 149 V HN 0.708 nan 8.190 nan 0.000 0.472 150 V N 1.791 121.682 119.914 -0.038 0.000 3.565 150 V HA 0.752 4.872 4.120 0.001 0.000 0.260 150 V C 0.649 176.713 176.094 -0.049 0.000 1.231 150 V CA 0.774 63.048 62.300 -0.044 0.000 1.100 150 V CB -0.011 31.792 31.823 -0.033 0.000 0.807 150 V HN 0.940 nan 8.190 nan 0.000 0.454 151 A N -0.237 122.558 122.820 -0.043 0.000 2.608 151 A HA 0.807 5.128 4.320 0.001 0.000 0.292 151 A C -1.414 176.147 177.584 -0.037 0.000 1.066 151 A CA -0.572 51.439 52.037 -0.044 0.000 0.676 151 A CB 1.267 20.243 19.000 -0.039 0.000 1.277 151 A HN 0.243 nan 8.150 nan 0.000 0.413 152 I N 1.591 122.137 120.570 -0.039 0.000 2.420 152 I HA 0.356 4.526 4.170 0.001 0.000 0.282 152 I C -0.808 175.285 176.117 -0.040 0.000 1.019 152 I CA -0.725 60.556 61.300 -0.033 0.000 1.130 152 I CB 1.704 39.686 38.000 -0.030 0.000 1.262 152 I HN 0.326 nan 8.210 nan 0.000 0.454 153 V N 6.224 126.118 119.914 -0.033 0.000 2.383 153 V HA 0.245 4.365 4.120 0.001 0.000 0.275 153 V C 0.533 176.604 176.094 -0.038 0.000 1.036 153 V CA -0.740 61.537 62.300 -0.037 0.000 0.889 153 V CB 0.903 32.709 31.823 -0.029 0.000 0.985 153 V HN 0.563 nan 8.190 nan 0.000 0.459 154 E N 2.821 122.987 120.200 -0.057 0.000 2.392 154 E HA 0.040 4.390 4.350 0.001 0.000 0.256 154 E C 0.963 177.533 176.600 -0.050 0.000 1.145 154 E CA -0.235 56.127 56.400 -0.063 0.000 0.929 154 E CB 0.781 30.421 29.700 -0.100 0.000 0.998 154 E HN 0.678 nan 8.360 nan 0.000 0.442 155 Q N 2.430 122.198 119.800 -0.052 0.000 2.082 155 Q HA -0.275 4.065 4.340 0.001 0.000 0.211 155 Q C 1.807 177.781 176.000 -0.043 0.000 1.002 155 Q CA 2.930 58.705 55.803 -0.047 0.000 0.868 155 Q CB -0.192 28.506 28.738 -0.067 0.000 0.931 155 Q HN 0.582 nan 8.270 nan 0.000 0.414 156 K N -1.088 119.282 120.400 -0.050 0.000 2.147 156 K HA -0.148 4.172 4.320 0.001 0.000 0.205 156 K C 0.933 177.512 176.600 -0.036 0.000 1.049 156 K CA 1.628 57.889 56.287 -0.042 0.000 0.936 156 K CB -0.121 32.352 32.500 -0.045 0.000 0.722 156 K HN 0.232 nan 8.250 nan 0.000 0.446 157 D N 1.384 121.761 120.400 -0.039 0.000 2.305 157 D HA 0.091 4.731 4.640 0.001 0.000 0.206 157 D C 0.521 176.805 176.300 -0.028 0.000 0.974 157 D CA 0.466 54.446 54.000 -0.034 0.000 0.871 157 D CB 0.129 40.905 40.800 -0.039 0.000 0.947 157 D HN 0.359 nan 8.370 nan 0.000 0.516 158 A N 1.549 124.353 122.820 -0.026 0.000 2.462 158 A HA 0.262 4.582 4.320 0.001 0.000 0.243 158 A C 0.660 178.233 177.584 -0.017 0.000 1.076 158 A CA -0.460 51.564 52.037 -0.020 0.000 0.773 158 A CB 0.104 19.093 19.000 -0.017 0.000 1.010 158 A HN 0.210 nan 8.150 nan 0.000 0.493 159 N N 1.329 120.020 118.700 -0.015 0.000 2.366 159 N HA 0.467 5.208 4.740 0.001 0.000 0.277 159 N C 1.062 176.566 175.510 -0.010 0.000 1.275 159 N CA 0.106 53.149 53.050 -0.012 0.000 0.964 159 N CB 0.151 38.631 38.487 -0.011 0.000 1.167 159 N HN 0.544 nan 8.380 nan 0.000 0.568 160 A N -0.365 122.450 122.820 -0.009 0.000 1.883 160 A HA -0.274 4.046 4.320 0.001 0.000 0.217 160 A C 1.926 179.507 177.584 -0.006 0.000 1.186 160 A CA 2.117 54.150 52.037 -0.007 0.000 0.624 160 A CB -1.337 17.659 19.000 -0.006 0.000 0.822 160 A HN 0.918 nan 8.150 nan 0.000 0.444 161 E N -0.529 119.667 120.200 -0.006 0.000 2.150 161 E HA -0.222 4.128 4.350 0.001 0.000 0.193 161 E C 1.898 178.495 176.600 -0.005 0.000 0.985 161 E CA 1.229 57.626 56.400 -0.005 0.000 0.814 161 E CB -0.384 29.312 29.700 -0.005 0.000 0.752 161 E HN 0.749 nan 8.360 nan 0.000 0.466 162 Q N 0.420 120.216 119.800 -0.006 0.000 2.230 162 Q HA 0.026 4.367 4.340 0.001 0.000 0.202 162 Q C 2.190 178.187 176.000 -0.004 0.000 0.963 162 Q CA 0.753 56.552 55.803 -0.006 0.000 0.866 162 Q CB 0.026 28.759 28.738 -0.010 0.000 0.931 162 Q HN 0.374 nan 8.270 nan 0.000 0.452 163 L N 0.684 121.905 121.223 -0.004 0.000 2.275 163 L HA -0.135 4.205 4.340 0.001 0.000 0.215 163 L C 1.477 178.349 176.870 0.004 0.000 1.119 163 L CA 0.453 55.293 54.840 -0.000 0.000 0.790 163 L CB -0.223 41.834 42.059 -0.003 0.000 0.919 163 L HN 0.223 nan 8.230 nan 0.000 0.443 164 N N 0.258 118.959 118.700 0.002 0.000 2.494 164 N HA 0.063 4.803 4.740 0.001 0.000 0.182 164 N C 0.620 176.132 175.510 0.003 0.000 1.076 164 N CA 0.458 53.509 53.050 0.003 0.000 0.908 164 N CB 0.015 38.502 38.487 0.001 0.000 0.967 164 N HN 0.279 nan 8.380 nan 0.000 0.449 165 I N 1.354 121.926 120.570 0.003 0.000 2.598 165 I HA -0.069 4.101 4.170 0.001 0.000 0.284 165 I C 1.138 177.258 176.117 0.006 0.000 1.140 165 I CA 0.218 61.519 61.300 0.002 0.000 1.420 165 I CB 0.745 38.745 38.000 -0.000 0.000 1.387 165 I HN -0.189 nan 8.210 nan 0.000 0.553 166 K N 3.578 123.979 120.400 0.002 0.000 2.323 166 K HA 0.060 4.380 4.320 0.001 0.000 0.197 166 K C 0.520 177.114 176.600 -0.009 0.000 1.043 166 K CA 0.209 56.496 56.287 0.000 0.000 0.997 166 K CB 0.110 32.608 32.500 -0.003 0.000 0.807 166 K HN 0.501 nan 8.250 nan 0.000 0.497 167 E N 1.103 121.296 120.200 -0.010 0.000 2.360 167 E HA 0.152 4.502 4.350 0.001 0.000 0.269 167 E C -1.051 175.539 176.600 -0.016 0.000 1.022 167 E CA -0.163 56.226 56.400 -0.017 0.000 0.887 167 E CB 0.691 30.383 29.700 -0.013 0.000 0.990 167 E HN -0.200 nan 8.360 nan 0.000 0.426 168 V N 3.833 123.727 119.914 -0.034 0.000 3.114 168 V HA 0.159 4.279 4.120 0.001 0.000 0.308 168 V C -0.550 175.519 176.094 -0.042 0.000 1.168 168 V CA -1.054 61.225 62.300 -0.035 0.000 1.015 168 V CB 2.349 34.123 31.823 -0.081 0.000 1.050 168 V HN 0.761 nan 8.190 nan 0.000 0.433 169 N N 1.164 119.854 118.700 -0.016 0.000 2.497 169 N HA 0.186 4.927 4.740 0.001 0.000 0.271 169 N C 0.869 176.359 175.510 -0.033 0.000 1.142 169 N CA 0.708 53.754 53.050 -0.006 0.000 0.965 169 N CB 1.631 40.129 38.487 0.019 0.000 1.077 169 N HN 0.839 nan 8.380 nan 0.000 0.462 170 T N 0.165 114.706 114.554 -0.020 0.000 3.022 170 T HA 0.259 4.610 4.350 0.001 0.000 0.250 170 T C 1.283 175.978 174.700 -0.009 0.000 1.060 170 T CA 0.455 62.533 62.100 -0.037 0.000 1.013 170 T CB -0.222 68.639 68.868 -0.012 0.000 0.982 170 T HN 0.666 nan 8.240 nan 0.000 0.508 171 G N 0.895 109.735 108.800 0.066 0.000 2.225 171 G HA2 -0.249 3.711 3.960 0.001 0.000 0.254 171 G HA3 -0.249 3.711 3.960 0.001 0.000 0.254 171 G C 0.100 175.243 174.900 0.404 0.000 0.988 171 G CA 0.036 45.242 45.100 0.176 0.000 0.625 171 G HN 0.720 nan 8.290 nan 0.000 0.527 172 V N 2.688 122.794 119.914 0.320 0.000 2.461 172 V HA 0.723 4.843 4.120 0.001 0.000 0.275 172 V C 0.614 176.816 176.094 0.179 0.000 1.047 172 V CA 0.955 63.420 62.300 0.275 0.000 0.955 172 V CB 1.021 32.964 31.823 0.201 0.000 0.988 172 V HN 0.715 nan 8.190 nan 0.000 0.471 173 M N 4.558 124.263 119.600 0.176 0.000 2.578 173 M HA 0.860 5.341 4.480 0.001 0.000 0.276 173 M C -1.994 174.424 176.300 0.195 0.000 1.245 173 M CA -0.823 54.578 55.300 0.170 0.000 0.871 173 M CB 2.537 35.253 32.600 0.194 0.000 1.722 173 M HN 0.140 nan 8.290 nan 0.000 0.473 174 V N 0.997 121.008 119.914 0.161 0.000 2.577 174 V HA 0.824 4.944 4.120 0.001 0.000 0.303 174 V C -0.758 175.416 176.094 0.133 0.000 1.042 174 V CA -0.241 62.160 62.300 0.168 0.000 0.872 174 V CB 1.667 33.545 31.823 0.092 0.000 0.998 174 V HN 0.970 nan 8.190 nan 0.000 0.423 175 S N 2.253 118.066 115.700 0.189 0.000 2.671 175 S HA 0.475 4.946 4.470 0.001 0.000 0.277 175 S C -1.544 173.121 174.600 0.109 0.000 1.165 175 S CA -0.762 57.450 58.200 0.020 0.000 0.822 175 S CB 1.778 64.796 63.200 -0.303 0.000 1.150 175 S HN 0.988 nan 8.310 nan 0.000 0.479 176 D N 0.531 120.947 120.400 0.025 0.000 2.358 176 D HA 0.208 4.848 4.640 0.001 0.000 0.244 176 D C 1.305 177.670 176.300 0.107 0.000 1.163 176 D CA 0.010 54.034 54.000 0.041 0.000 0.945 176 D CB 0.876 41.671 40.800 -0.010 0.000 1.152 176 D HN 0.599 nan 8.370 nan 0.000 0.451 177 G N 0.520 109.380 108.800 0.101 0.000 2.418 177 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 177 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 177 G C 1.561 176.579 174.900 0.197 0.000 1.158 177 G CA 1.213 46.429 45.100 0.192 0.000 0.771 177 G HN 0.661 nan 8.290 nan 0.000 0.545 178 A N 0.752 123.602 122.820 0.050 0.000 1.902 178 A HA 0.012 4.332 4.320 0.001 0.000 0.217 178 A C 2.707 180.190 177.584 -0.169 0.000 1.181 178 A CA 2.262 54.277 52.037 -0.037 0.000 0.623 178 A CB -0.611 18.346 19.000 -0.071 0.000 0.818 178 A HN 0.309 nan 8.150 nan 0.000 0.443 179 S N -0.923 114.595 115.700 -0.303 0.000 2.368 179 S HA -0.097 4.373 4.470 0.001 0.000 0.225 179 S C 1.619 175.873 174.600 -0.576 0.000 1.030 179 S CA 1.381 59.105 58.200 -0.793 0.000 0.999 179 S CB -0.513 62.119 63.200 -0.947 0.000 0.844 179 S HN 0.513 nan 8.310 nan 0.000 0.459 180 F N 1.979 121.869 119.950 -0.100 0.000 2.095 180 F HA -0.096 4.431 4.527 0.001 0.000 0.298 180 F C 2.259 178.129 175.800 0.117 0.000 1.104 180 F CA 1.238 59.326 58.000 0.147 0.000 1.232 180 F CB -0.377 38.803 39.000 0.300 0.000 0.987 180 F HN 0.104 nan 8.300 nan 0.000 0.475 181 K N -0.048 120.505 120.400 0.254 0.000 2.057 181 K HA -0.231 4.090 4.320 0.001 0.000 0.207 181 K C 2.111 178.729 176.600 0.030 0.000 1.049 181 K CA 1.598 57.946 56.287 0.101 0.000 0.931 181 K CB -0.234 32.287 32.500 0.034 0.000 0.714 181 K HN 0.160 nan 8.250 nan 0.000 0.440 182 K N 0.148 120.500 120.400 -0.080 0.000 1.985 182 K HA -0.165 4.155 4.320 0.001 0.000 0.210 182 K C 1.867 178.489 176.600 0.037 0.000 1.047 182 K CA 1.512 57.724 56.287 -0.125 0.000 0.932 182 K CB -0.035 32.240 32.500 -0.376 0.000 0.716 182 K HN 0.173 nan 8.250 nan 0.000 0.439 183 W N 1.172 122.511 121.300 0.064 0.000 2.418 183 W HA -0.010 4.650 4.660 0.001 0.000 0.292 183 W C 1.909 178.488 176.519 0.101 0.000 1.213 183 W CA 0.399 57.781 57.345 0.061 0.000 1.283 183 W CB -0.827 28.644 29.460 0.020 0.000 1.119 183 W HN 0.137 nan 8.180 nan 0.000 0.542 184 L N 0.490 121.925 121.223 0.354 0.000 2.079 184 L HA -0.201 4.139 4.340 0.001 0.000 0.210 184 L C 2.582 179.554 176.870 0.171 0.000 1.081 184 L CA 1.564 56.563 54.840 0.266 0.000 0.752 184 L CB -1.131 41.073 42.059 0.241 0.000 0.896 184 L HN -0.131 nan 8.230 nan 0.000 0.433 185 A N -0.376 122.525 122.820 0.134 0.000 2.121 185 A HA -0.130 4.191 4.320 0.001 0.000 0.218 185 A C 2.210 179.864 177.584 0.116 0.000 1.154 185 A CA 1.115 53.203 52.037 0.086 0.000 0.679 185 A CB -0.334 18.698 19.000 0.053 0.000 0.795 185 A HN 0.362 nan 8.150 nan 0.000 0.458 186 R N -0.645 119.954 120.500 0.166 0.000 2.334 186 R HA 0.181 4.521 4.340 0.001 0.000 0.216 186 R C -0.449 175.959 176.300 0.180 0.000 0.905 186 R CA -0.097 56.103 56.100 0.166 0.000 1.064 186 R CB 0.280 30.693 30.300 0.188 0.000 1.046 186 R HN 0.311 nan 8.270 nan 0.000 0.508 187 V N 1.161 121.206 119.914 0.218 0.000 2.555 187 V HA 0.255 4.375 4.120 0.001 0.000 0.286 187 V C 0.962 177.270 176.094 0.357 0.000 1.044 187 V CA -0.253 62.206 62.300 0.265 0.000 1.026 187 V CB 1.230 33.239 31.823 0.311 0.000 0.981 187 V HN 0.251 nan 8.190 nan 0.000 0.480 188 G N 2.608 111.552 108.800 0.240 0.000 2.552 188 G HA2 0.448 4.408 3.960 0.001 0.000 0.324 188 G HA3 0.448 4.408 3.960 0.001 0.000 0.324 188 G C 0.190 174.998 174.900 -0.153 0.000 1.217 188 G CA -0.568 44.613 45.100 0.134 0.000 0.989 188 G HN 0.740 nan 8.290 nan 0.000 0.490 189 N N -0.575 117.878 118.700 -0.412 0.000 2.351 189 N HA 0.011 4.751 4.740 0.001 0.000 0.254 189 N C -0.249 175.130 175.510 -0.218 0.000 1.241 189 N CA -0.598 52.128 53.050 -0.539 0.000 0.883 189 N CB 0.382 38.233 38.487 -1.061 0.000 1.202 189 N HN 0.265 nan 8.380 nan 0.000 0.512 190 N N 1.726 120.363 118.700 -0.105 0.000 2.895 190 N HA 0.061 4.802 4.740 0.001 0.000 0.277 190 N C -1.108 174.390 175.510 -0.021 0.000 1.185 190 N CA -0.087 52.933 53.050 -0.051 0.000 1.106 190 N CB -0.539 37.932 38.487 -0.027 0.000 1.422 190 N HN 0.554 nan 8.380 nan 0.000 0.521 191 N N -0.865 117.828 118.700 -0.012 0.000 3.039 191 N HA 0.396 5.137 4.740 0.001 0.000 0.257 191 N C 0.302 175.824 175.510 0.020 0.000 1.497 191 N CA -0.626 52.434 53.050 0.017 0.000 0.861 191 N CB 0.133 38.660 38.487 0.066 0.000 1.479 191 N HN -0.088 nan 8.380 nan 0.000 0.547 192 A N -0.928 121.906 122.820 0.023 0.000 2.070 192 A HA -0.135 4.186 4.320 0.001 0.000 0.220 192 A C 1.428 179.030 177.584 0.030 0.000 1.159 192 A CA 1.536 53.583 52.037 0.017 0.000 0.656 192 A CB -0.670 18.334 19.000 0.006 0.000 0.800 192 A HN 0.637 nan 8.150 nan 0.000 0.453 193 Q N -1.857 117.985 119.800 0.070 0.000 2.384 193 Q HA 0.323 4.663 4.340 0.001 0.000 0.207 193 Q C 1.163 177.165 176.000 0.003 0.000 0.904 193 Q CA 0.730 56.569 55.803 0.061 0.000 0.933 193 Q CB 0.207 29.030 28.738 0.142 0.000 1.077 193 Q HN 0.856 nan 8.270 nan 0.000 0.522 194 G N 0.690 109.480 108.800 -0.016 0.000 2.198 194 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 194 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 194 G C -0.308 174.484 174.900 -0.181 0.000 1.025 194 G CA 0.341 45.386 45.100 -0.092 0.000 0.769 194 G HN 0.303 nan 8.290 nan 0.000 0.507 195 E N -1.234 118.847 120.200 -0.198 0.000 2.221 195 E HA 0.540 4.890 4.350 0.001 0.000 0.268 195 E C -0.712 175.666 176.600 -0.371 0.000 0.933 195 E CA -1.073 55.135 56.400 -0.321 0.000 0.809 195 E CB 1.012 30.418 29.700 -0.489 0.000 1.190 195 E HN 0.244 nan 8.360 nan 0.000 0.406 196 Y N 1.448 121.661 120.300 -0.145 0.000 2.504 196 Y HA 0.158 4.708 4.550 0.001 0.000 0.351 196 Y C -0.582 175.289 175.900 -0.048 0.000 0.988 196 Y CA -0.237 57.852 58.100 -0.017 0.000 1.239 196 Y CB 0.046 38.537 38.460 0.052 0.000 1.128 196 Y HN 0.382 nan 8.280 nan 0.000 0.525 197 Y N 2.865 123.273 120.300 0.181 0.000 2.313 197 Y HA 0.113 4.663 4.550 0.001 0.000 0.332 197 Y C 1.009 177.013 175.900 0.174 0.000 1.071 197 Y CA -0.648 57.542 58.100 0.150 0.000 1.169 197 Y CB 1.239 39.751 38.460 0.087 0.000 1.192 197 Y HN 0.598 nan 8.280 nan 0.000 0.487 198 L N 2.033 123.461 121.223 0.342 0.000 2.191 198 L HA -0.162 4.178 4.340 0.001 0.000 0.212 198 L C 1.936 178.958 176.870 0.253 0.000 1.103 198 L CA 1.899 56.922 54.840 0.306 0.000 0.769 198 L CB -0.710 41.543 42.059 0.323 0.000 0.908 198 L HN 0.802 nan 8.230 nan 0.000 0.438 199 T N -0.503 114.197 114.554 0.243 0.000 2.685 199 T HA -0.226 4.124 4.350 0.001 0.000 0.268 199 T C 1.336 176.082 174.700 0.076 0.000 1.034 199 T CA 1.714 63.893 62.100 0.132 0.000 1.149 199 T CB -0.438 68.469 68.868 0.064 0.000 0.860 199 T HN 0.395 nan 8.240 nan 0.000 0.449 200 D N 0.843 121.308 120.400 0.108 0.000 2.351 200 D HA 0.010 4.651 4.640 0.001 0.000 0.216 200 D C 1.938 178.232 176.300 -0.011 0.000 0.968 200 D CA 0.261 54.293 54.000 0.053 0.000 0.899 200 D CB -0.341 40.522 40.800 0.105 0.000 0.907 200 D HN 0.328 nan 8.370 nan 0.000 0.514 201 L N 0.023 121.249 121.223 0.005 0.000 2.191 201 L HA -0.171 4.169 4.340 0.001 0.000 0.212 201 L C 1.958 178.629 176.870 -0.330 0.000 1.103 201 L CA 0.679 55.442 54.840 -0.128 0.000 0.769 201 L CB -0.309 41.746 42.059 -0.006 0.000 0.908 201 L HN 0.075 nan 8.230 nan 0.000 0.438 202 I N 0.303 120.756 120.570 -0.195 0.000 2.252 202 I HA -0.201 3.969 4.170 0.001 0.000 0.245 202 I C 2.767 178.741 176.117 -0.237 0.000 1.102 202 I CA 1.511 62.685 61.300 -0.211 0.000 1.385 202 I CB -0.713 37.223 38.000 -0.106 0.000 1.064 202 I HN 0.103 nan 8.210 nan 0.000 0.414 203 A N 0.135 122.849 122.820 -0.178 0.000 1.902 203 A HA -0.150 4.170 4.320 0.001 0.000 0.217 203 A C 2.321 179.773 177.584 -0.220 0.000 1.181 203 A CA 1.516 53.461 52.037 -0.154 0.000 0.623 203 A CB -0.985 17.959 19.000 -0.092 0.000 0.818 203 A HN 0.396 nan 8.150 nan 0.000 0.443 204 L N -0.845 120.194 121.223 -0.306 0.000 2.141 204 L HA -0.166 4.174 4.340 0.001 0.000 0.209 204 L C 3.054 179.510 176.870 -0.691 0.000 1.094 204 L CA 0.903 55.502 54.840 -0.400 0.000 0.763 204 L CB -0.472 41.359 42.059 -0.379 0.000 0.908 204 L HN 0.444 nan 8.230 nan 0.000 0.437 205 A N 0.081 122.292 122.820 -1.015 0.000 1.898 205 A HA -0.194 4.127 4.320 0.001 0.000 0.216 205 A C 2.080 179.465 177.584 -0.331 0.000 1.181 205 A CA 1.646 53.098 52.037 -0.974 0.000 0.620 205 A CB -0.534 17.865 19.000 -1.001 0.000 0.819 205 A HN 0.421 nan 8.150 nan 0.000 0.442 206 N N -0.209 118.335 118.700 -0.261 0.000 2.223 206 N HA -0.164 4.576 4.740 0.001 0.000 0.185 206 N C 1.854 177.317 175.510 -0.079 0.000 1.016 206 N CA 1.377 54.350 53.050 -0.129 0.000 0.863 206 N CB -0.308 38.112 38.487 -0.111 0.000 0.983 206 N HN 0.654 nan 8.380 nan 0.000 0.429 207 Q N 0.296 120.041 119.800 -0.092 0.000 2.170 207 Q HA -0.107 4.234 4.340 0.001 0.000 0.203 207 Q C 0.334 176.345 176.000 0.019 0.000 0.976 207 Q CA 1.026 56.810 55.803 -0.032 0.000 0.858 207 Q CB 0.068 28.789 28.738 -0.027 0.000 0.907 207 Q HN 0.262 nan 8.270 nan 0.000 0.433 208 D N -0.159 120.270 120.400 0.048 0.000 2.325 208 D HA 0.047 4.688 4.640 0.001 0.000 0.225 208 D C -0.612 175.745 176.300 0.095 0.000 1.096 208 D CA 0.033 54.109 54.000 0.127 0.000 0.844 208 D CB -0.182 40.799 40.800 0.302 0.000 0.925 208 D HN 0.165 nan 8.370 nan 0.000 0.513 209 N N -0.531 118.197 118.700 0.046 0.000 2.725 209 N HA -0.186 4.554 4.740 0.001 0.000 0.251 209 N C -1.020 174.523 175.510 0.055 0.000 1.031 209 N CA 0.333 53.404 53.050 0.036 0.000 0.720 209 N CB -1.239 37.269 38.487 0.034 0.000 0.930 209 N HN 0.212 nan 8.380 nan 0.000 0.543 210 C N 0.216 119.554 119.300 0.063 0.000 2.435 210 C HA 0.428 4.888 4.460 0.001 0.000 0.333 210 C C 0.750 175.755 174.990 0.025 0.000 1.202 210 C CA -0.793 58.280 59.018 0.091 0.000 1.830 210 C CB 1.661 29.544 27.740 0.238 0.000 2.326 210 C HN 0.400 nan 8.230 nan 0.000 0.507 211 Q N 1.356 121.177 119.800 0.035 0.000 2.279 211 Q HA 0.529 4.869 4.340 0.001 0.000 0.256 211 Q C -1.260 174.738 176.000 -0.004 0.000 0.937 211 Q CA -0.078 55.730 55.803 0.008 0.000 0.933 211 Q CB 0.934 29.682 28.738 0.017 0.000 1.189 211 Q HN 0.667 nan 8.270 nan 0.000 0.417 212 V N 5.322 125.218 119.914 -0.030 0.000 2.384 212 V HA 0.361 4.481 4.120 0.001 0.000 0.287 212 V C -0.166 175.917 176.094 -0.018 0.000 1.020 212 V CA -0.711 61.568 62.300 -0.035 0.000 0.850 212 V CB 1.226 33.007 31.823 -0.069 0.000 0.987 212 V HN 0.625 nan 8.190 nan 0.000 0.436 213 V N 2.470 122.381 119.914 -0.005 0.000 2.581 213 V HA 0.997 5.118 4.120 0.001 0.000 0.303 213 V C 0.239 176.334 176.094 0.003 0.000 1.041 213 V CA -0.720 61.580 62.300 -0.000 0.000 0.907 213 V CB 1.574 33.401 31.823 0.006 0.000 0.994 213 V HN 0.971 nan 8.190 nan 0.000 0.442 214 A N 3.942 126.763 122.820 0.001 0.000 2.310 214 A HA 0.824 5.145 4.320 0.001 0.000 0.299 214 A C -0.383 177.205 177.584 0.007 0.000 1.147 214 A CA -0.579 51.460 52.037 0.004 0.000 0.818 214 A CB 1.215 20.214 19.000 -0.001 0.000 1.096 214 A HN 1.441 nan 8.150 nan 0.000 0.495 215 V N 3.188 123.108 119.914 0.011 0.000 2.482 215 V HA 0.239 4.359 4.120 0.001 0.000 0.295 215 V C -0.280 175.820 176.094 0.010 0.000 1.026 215 V CA -0.483 61.824 62.300 0.012 0.000 0.856 215 V CB 1.350 33.184 31.823 0.018 0.000 1.001 215 V HN 1.028 nan 8.190 nan 0.000 0.424 216 Q N 2.795 122.598 119.800 0.006 0.000 2.304 216 Q HA 0.604 4.944 4.340 0.001 0.000 0.260 216 Q C 0.381 176.384 176.000 0.005 0.000 0.965 216 Q CA -0.090 55.714 55.803 0.001 0.000 0.898 216 Q CB 1.425 30.162 28.738 -0.001 0.000 1.196 216 Q HN 0.940 nan 8.270 nan 0.000 0.402 217 A N 1.958 124.779 122.820 0.002 0.000 2.425 217 A HA 0.155 4.476 4.320 0.001 0.000 0.249 217 A C 1.136 178.723 177.584 0.005 0.000 1.084 217 A CA -0.141 51.900 52.037 0.007 0.000 0.781 217 A CB 0.326 19.326 19.000 0.000 0.000 1.019 217 A HN 0.923 nan 8.150 nan 0.000 0.490 218 T N -0.430 114.134 114.554 0.017 0.000 2.857 218 T HA -0.006 4.344 4.350 0.001 0.000 0.266 218 T C 0.421 175.134 174.700 0.023 0.000 1.048 218 T CA 1.329 63.441 62.100 0.021 0.000 1.139 218 T CB -0.090 68.797 68.868 0.032 0.000 0.874 218 T HN 0.595 nan 8.240 nan 0.000 0.455 219 D N 0.446 120.862 120.400 0.027 0.000 2.391 219 D HA 0.365 5.006 4.640 0.001 0.000 0.245 219 D C 1.118 177.390 176.300 -0.046 0.000 1.069 219 D CA -0.463 53.547 54.000 0.017 0.000 0.831 219 D CB 2.495 43.347 40.800 0.087 0.000 1.204 219 D HN -0.076 nan 8.370 nan 0.000 0.503 220 V N 3.737 123.604 119.914 -0.079 0.000 2.407 220 V HA -0.228 3.893 4.120 0.001 0.000 0.248 220 V C 2.369 178.359 176.094 -0.173 0.000 1.055 220 V CA 1.200 63.431 62.300 -0.116 0.000 1.049 220 V CB -0.360 31.396 31.823 -0.110 0.000 0.662 220 V HN 0.672 nan 8.190 nan 0.000 0.455 221 M N -0.676 118.749 119.600 -0.291 0.000 2.460 221 M HA -0.112 4.368 4.480 0.001 0.000 0.263 221 M C 2.025 178.161 176.300 -0.273 0.000 1.071 221 M CA 1.147 56.185 55.300 -0.437 0.000 1.096 221 M CB -1.131 30.801 32.600 -1.113 0.000 1.408 221 M HN 0.473 nan 8.290 nan 0.000 0.463 222 E N 0.286 120.396 120.200 -0.150 0.000 2.204 222 E HA -0.116 4.235 4.350 0.001 0.000 0.195 222 E C 1.652 178.236 176.600 -0.026 0.000 0.990 222 E CA 1.408 57.788 56.400 -0.034 0.000 0.821 222 E CB 0.188 29.897 29.700 0.014 0.000 0.750 222 E HN 0.508 nan 8.360 nan 0.000 0.477 223 V N -1.793 118.086 119.914 -0.058 0.000 3.380 223 V HA 0.218 4.338 4.120 0.001 0.000 0.307 223 V C 0.114 176.162 176.094 -0.077 0.000 1.434 223 V CA -0.380 61.894 62.300 -0.044 0.000 1.075 223 V CB 0.456 32.249 31.823 -0.050 0.000 0.954 223 V HN -0.106 nan 8.190 nan 0.000 0.444 224 E N 1.900 122.042 120.200 -0.097 0.000 2.289 224 E HA 0.593 4.943 4.350 0.001 0.000 0.278 224 E C 0.545 177.107 176.600 -0.063 0.000 1.032 224 E CA 0.578 56.922 56.400 -0.095 0.000 0.854 224 E CB 1.179 30.810 29.700 -0.115 0.000 1.046 224 E HN 0.591 nan 8.360 nan 0.000 0.409 225 G N 1.987 110.758 108.800 -0.048 0.000 2.462 225 G HA2 0.620 4.580 3.960 0.001 0.000 0.319 225 G HA3 0.620 4.580 3.960 0.001 0.000 0.319 225 G C -1.112 173.770 174.900 -0.030 0.000 1.171 225 G CA -0.347 44.735 45.100 -0.030 0.000 0.920 225 G HN 0.605 nan 8.290 nan 0.000 0.499 226 A N 0.711 123.513 122.820 -0.030 0.000 2.273 226 A HA 0.559 4.880 4.320 0.001 0.000 0.315 226 A C 0.454 178.007 177.584 -0.050 0.000 1.256 226 A CA -0.833 51.180 52.037 -0.039 0.000 0.851 226 A CB 0.901 19.873 19.000 -0.047 0.000 1.172 226 A HN 0.518 nan 8.150 nan 0.000 0.508 227 N N 1.082 119.751 118.700 -0.051 0.000 2.282 227 N HA 0.042 4.783 4.740 0.001 0.000 0.185 227 N C -0.177 175.274 175.510 -0.098 0.000 1.099 227 N CA 0.596 53.605 53.050 -0.067 0.000 0.878 227 N CB 0.333 38.792 38.487 -0.046 0.000 0.993 227 N HN 0.902 nan 8.380 nan 0.000 0.481 228 N N -1.342 117.308 118.700 -0.085 0.000 2.972 228 N HA 0.279 5.019 4.740 0.001 0.000 0.262 228 N C 0.133 175.598 175.510 -0.076 0.000 1.478 228 N CA -0.679 52.320 53.050 -0.085 0.000 0.841 228 N CB 1.152 39.621 38.487 -0.029 0.000 1.512 228 N HN -0.333 nan 8.380 nan 0.000 0.548 229 R N -0.893 119.576 120.500 -0.052 0.000 2.189 229 R HA 0.085 4.425 4.340 0.001 0.000 0.218 229 R C 1.345 177.645 176.300 0.000 0.000 1.074 229 R CA 0.437 56.518 56.100 -0.032 0.000 0.991 229 R CB -0.487 29.814 30.300 0.002 0.000 0.883 229 R HN 0.487 nan 8.270 nan 0.000 0.457 230 L N 1.420 122.648 121.223 0.008 0.000 2.017 230 L HA -0.193 4.147 4.340 0.001 0.000 0.208 230 L C 1.977 178.854 176.870 0.011 0.000 1.073 230 L CA 1.840 56.690 54.840 0.016 0.000 0.745 230 L CB -0.293 41.778 42.059 0.020 0.000 0.894 230 L HN 0.098 nan 8.230 nan 0.000 0.432 231 Q N -1.112 118.688 119.800 -0.001 0.000 2.167 231 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 231 Q C 2.200 178.196 176.000 -0.007 0.000 0.970 231 Q CA 1.458 57.258 55.803 -0.005 0.000 0.855 231 Q CB -0.268 28.462 28.738 -0.014 0.000 0.911 231 Q HN 0.457 nan 8.270 nan 0.000 0.438 232 L N 0.572 121.786 121.223 -0.015 0.000 2.046 232 L HA -0.110 4.230 4.340 0.001 0.000 0.208 232 L C 2.155 179.035 176.870 0.016 0.000 1.077 232 L CA 1.861 56.694 54.840 -0.012 0.000 0.747 232 L CB -0.588 41.457 42.059 -0.024 0.000 0.896 232 L HN 0.117 nan 8.230 nan 0.000 0.432 233 A N -0.771 122.065 122.820 0.027 0.000 1.969 233 A HA -0.057 4.263 4.320 0.001 0.000 0.218 233 A C 2.422 180.043 177.584 0.060 0.000 1.169 233 A CA 1.512 53.576 52.037 0.046 0.000 0.635 233 A CB -0.977 18.049 19.000 0.043 0.000 0.810 233 A HN 0.538 nan 8.150 nan 0.000 0.445 234 A N -0.489 122.361 122.820 0.051 0.000 1.898 234 A HA 0.011 4.331 4.320 0.001 0.000 0.216 234 A C 1.979 179.622 177.584 0.098 0.000 1.181 234 A CA 1.629 53.706 52.037 0.066 0.000 0.620 234 A CB -0.523 18.500 19.000 0.039 0.000 0.819 234 A HN 0.382 nan 8.150 nan 0.000 0.442 235 L N -0.167 121.096 121.223 0.067 0.000 2.046 235 L HA -0.160 4.180 4.340 0.001 0.000 0.208 235 L C 2.423 179.400 176.870 0.177 0.000 1.077 235 L CA 2.311 57.205 54.840 0.091 0.000 0.747 235 L CB -0.962 41.099 42.059 0.003 0.000 0.896 235 L HN 0.572 nan 8.230 nan 0.000 0.432 236 E N -0.391 119.882 120.200 0.122 0.000 2.038 236 E HA -0.234 4.116 4.350 0.001 0.000 0.195 236 E C 2.308 179.031 176.600 0.205 0.000 1.000 236 E CA 1.374 57.865 56.400 0.151 0.000 0.803 236 E CB -0.001 29.759 29.700 0.099 0.000 0.750 236 E HN 0.099 nan 8.360 nan 0.000 0.448 237 R N -0.486 120.112 120.500 0.164 0.000 2.081 237 R HA -0.130 4.210 4.340 0.001 0.000 0.235 237 R C 2.368 178.767 176.300 0.166 0.000 1.131 237 R CA 1.592 57.778 56.100 0.144 0.000 0.960 237 R CB -1.520 28.849 30.300 0.115 0.000 0.856 237 R HN 0.440 nan 8.270 nan 0.000 0.436 238 Y N 0.133 120.493 120.300 0.099 0.000 2.181 238 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 238 Y C 2.067 178.046 175.900 0.131 0.000 1.146 238 Y CA 1.480 59.637 58.100 0.096 0.000 1.164 238 Y CB -0.419 38.093 38.460 0.087 0.000 0.982 238 Y HN 0.031 nan 8.280 nan 0.000 0.515 239 F N 0.924 120.932 119.950 0.098 0.000 2.113 239 F HA -0.200 4.327 4.527 0.001 0.000 0.297 239 F C 2.292 178.077 175.800 -0.025 0.000 1.103 239 F CA 1.801 59.815 58.000 0.024 0.000 1.248 239 F CB -0.507 38.552 39.000 0.099 0.000 0.999 239 F HN 0.067 nan 8.300 nan 0.000 0.475 240 Q N 0.383 120.224 119.800 0.068 0.000 2.084 240 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 240 Q C 1.975 177.947 176.000 -0.048 0.000 0.978 240 Q CA 1.374 57.182 55.803 0.008 0.000 0.844 240 Q CB -0.884 27.911 28.738 0.095 0.000 0.898 240 Q HN 0.423 nan 8.270 nan 0.000 0.426 241 N N 0.991 119.646 118.700 -0.075 0.000 2.120 241 N HA -0.154 4.587 4.740 0.001 0.000 0.188 241 N C 1.603 176.991 175.510 -0.203 0.000 1.024 241 N CA 1.161 54.146 53.050 -0.109 0.000 0.852 241 N CB -0.192 38.231 38.487 -0.107 0.000 1.003 241 N HN 0.288 nan 8.380 nan 0.000 0.424 242 K N 0.960 121.151 120.400 -0.348 0.000 2.057 242 K HA -0.067 4.253 4.320 0.001 0.000 0.206 242 K C 1.838 178.262 176.600 -0.293 0.000 1.050 242 K CA 1.023 57.089 56.287 -0.368 0.000 0.935 242 K CB 0.061 32.258 32.500 -0.506 0.000 0.715 242 K HN 0.208 nan 8.250 nan 0.000 0.439 243 Q N -0.138 119.452 119.800 -0.350 0.000 2.084 243 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 243 Q C 2.175 178.108 176.000 -0.111 0.000 0.978 243 Q CA 1.491 57.148 55.803 -0.243 0.000 0.844 243 Q CB -0.152 28.438 28.738 -0.246 0.000 0.898 243 Q HN 0.441 nan 8.270 nan 0.000 0.426 244 A N 0.578 123.354 122.820 -0.074 0.000 1.877 244 A HA -0.186 4.134 4.320 0.001 0.000 0.216 244 A C 2.291 179.768 177.584 -0.179 0.000 1.186 244 A CA 1.773 53.721 52.037 -0.148 0.000 0.620 244 A CB -0.571 18.381 19.000 -0.080 0.000 0.822 244 A HN 0.260 nan 8.150 nan 0.000 0.443 245 S N -0.503 115.111 115.700 -0.143 0.000 2.368 245 S HA -0.176 4.294 4.470 0.001 0.000 0.225 245 S C 1.995 176.527 174.600 -0.114 0.000 1.030 245 S CA 1.631 59.756 58.200 -0.124 0.000 0.999 245 S CB -0.250 62.881 63.200 -0.114 0.000 0.844 245 S HN 0.678 nan 8.310 nan 0.000 0.459 246 K N 1.059 121.392 120.400 -0.112 0.000 2.057 246 K HA -0.036 4.284 4.320 0.001 0.000 0.207 246 K C 1.994 178.545 176.600 -0.082 0.000 1.049 246 K CA 1.060 57.298 56.287 -0.081 0.000 0.931 246 K CB -0.238 32.221 32.500 -0.069 0.000 0.714 246 K HN 0.286 nan 8.250 nan 0.000 0.440 247 L N 0.862 122.008 121.223 -0.128 0.000 2.056 247 L HA -0.182 4.158 4.340 0.001 0.000 0.207 247 L C 2.393 179.132 176.870 -0.218 0.000 1.078 247 L CA 0.884 55.607 54.840 -0.195 0.000 0.749 247 L CB -0.319 41.572 42.059 -0.280 0.000 0.901 247 L HN 0.206 nan 8.230 nan 0.000 0.433 248 L N -0.615 120.491 121.223 -0.196 0.000 2.017 248 L HA -0.239 4.101 4.340 0.001 0.000 0.208 248 L C 2.428 179.234 176.870 -0.108 0.000 1.073 248 L CA 1.268 56.012 54.840 -0.160 0.000 0.745 248 L CB -0.408 41.564 42.059 -0.144 0.000 0.894 248 L HN 0.240 nan 8.230 nan 0.000 0.432 249 L N -0.735 120.437 121.223 -0.085 0.000 2.201 249 L HA -0.173 4.167 4.340 0.001 0.000 0.212 249 L C 2.151 179.003 176.870 -0.031 0.000 1.105 249 L CA 0.986 55.795 54.840 -0.053 0.000 0.775 249 L CB -0.384 41.650 42.059 -0.043 0.000 0.913 249 L HN 0.308 nan 8.230 nan 0.000 0.440 250 E N -0.299 119.884 120.200 -0.027 0.000 2.481 250 E HA 0.007 4.357 4.350 0.001 0.000 0.195 250 E C 1.308 177.932 176.600 0.039 0.000 1.047 250 E CA 0.503 56.926 56.400 0.038 0.000 0.867 250 E CB 0.230 30.010 29.700 0.133 0.000 0.858 250 E HN 0.541 nan 8.360 nan 0.000 0.513 251 G N 0.730 109.502 108.800 -0.046 0.000 2.154 251 G HA2 -0.218 3.742 3.960 0.001 0.000 0.186 251 G HA3 -0.218 3.742 3.960 0.001 0.000 0.186 251 G C 0.159 174.995 174.900 -0.107 0.000 1.000 251 G CA -0.112 44.960 45.100 -0.047 0.000 0.664 251 G HN 0.109 nan 8.290 nan 0.000 0.513 252 V N 1.544 121.321 119.914 -0.228 0.000 2.455 252 V HA 0.544 4.664 4.120 0.001 0.000 0.273 252 V C 0.876 176.860 176.094 -0.182 0.000 1.045 252 V CA -0.173 61.965 62.300 -0.269 0.000 0.976 252 V CB 1.415 32.967 31.823 -0.452 0.000 0.993 252 V HN 0.373 nan 8.190 nan 0.000 0.475 253 M N 7.353 126.890 119.600 -0.104 0.000 2.383 253 M HA 0.379 4.860 4.480 0.001 0.000 0.337 253 M C -0.538 175.762 176.300 0.000 0.000 1.422 253 M CA 0.242 55.514 55.300 -0.046 0.000 1.333 253 M CB -0.404 32.199 32.600 0.004 0.000 1.488 253 M HN 0.460 nan 8.290 nan 0.000 0.454 254 I N 5.733 126.250 120.570 -0.087 0.000 2.297 254 I HA 0.063 4.233 4.170 0.001 0.000 0.291 254 I C 0.085 176.243 176.117 0.068 0.000 1.033 254 I CA -0.532 60.707 61.300 -0.100 0.000 1.253 254 I CB 0.653 38.424 38.000 -0.382 0.000 1.396 254 I HN 0.619 nan 8.210 nan 0.000 0.476 255 Y N 2.621 122.860 120.300 -0.101 0.000 2.207 255 Y HA -0.163 4.387 4.550 0.000 0.000 0.287 255 Y C 1.147 177.016 175.900 -0.050 0.000 1.156 255 Y CA 0.960 59.021 58.100 -0.065 0.000 1.182 255 Y CB -0.208 38.225 38.460 -0.045 0.000 0.979 255 Y HN 0.485 nan 8.280 nan 0.000 0.521 256 D N -0.981 119.496 120.400 0.128 0.000 2.386 256 D HA 0.186 4.827 4.640 0.001 0.000 0.247 256 D C -2.274 174.060 176.300 0.056 0.000 1.336 256 D CA -2.254 51.788 54.000 0.070 0.000 0.976 256 D CB 1.571 42.419 40.800 0.080 0.000 1.257 256 D HN -0.105 nan 8.370 nan 0.000 0.570 257 P HA -0.070 nan 4.420 nan 0.000 0.222 257 P C 0.995 178.346 177.300 0.085 0.000 1.147 257 P CA 0.493 63.602 63.100 0.016 0.000 0.790 257 P CB 0.307 31.982 31.700 -0.042 0.000 0.780 258 A N -0.079 122.781 122.820 0.066 0.000 2.168 258 A HA -0.021 4.299 4.320 0.001 0.000 0.215 258 A C 1.587 179.223 177.584 0.087 0.000 1.152 258 A CA 0.589 52.667 52.037 0.070 0.000 0.716 258 A CB -0.627 18.403 19.000 0.050 0.000 0.794 258 A HN 0.127 nan 8.150 nan 0.000 0.465 259 R N -1.264 119.300 120.500 0.107 0.000 3.026 259 R HA 0.455 4.795 4.340 0.001 0.000 0.317 259 R C -1.351 175.050 176.300 0.168 0.000 1.278 259 R CA -0.072 56.090 56.100 0.103 0.000 1.407 259 R CB 0.206 30.552 30.300 0.077 0.000 1.368 259 R HN 0.348 nan 8.270 nan 0.000 0.612 260 F N 0.024 119.971 119.950 -0.005 0.000 2.604 260 F HA 0.392 4.919 4.527 0.000 0.000 0.316 260 F C -1.749 174.050 175.800 -0.003 0.000 1.136 260 F CA -0.882 57.109 58.000 -0.015 0.000 0.989 260 F CB 1.992 40.976 39.000 -0.027 0.000 1.258 260 F HN 0.053 nan 8.300 nan 0.000 0.451 261 D N 5.576 125.483 120.400 -0.821 0.000 2.757 261 D HA 0.481 5.121 4.640 0.001 0.000 0.249 261 D C -1.723 174.104 176.300 -0.788 0.000 1.168 261 D CA -0.294 53.363 54.000 -0.573 0.000 0.870 261 D CB 2.446 43.101 40.800 -0.242 0.000 1.411 261 D HN 0.491 nan 8.370 nan 0.000 0.525 262 L N 2.397 123.336 121.223 -0.474 0.000 2.305 262 L HA 0.533 4.874 4.340 0.001 0.000 0.284 262 L C -0.832 176.030 176.870 -0.014 0.000 1.013 262 L CA -0.366 54.344 54.840 -0.217 0.000 0.819 262 L CB 0.984 43.034 42.059 -0.015 0.000 1.227 262 L HN 0.378 nan 8.230 nan 0.000 0.417 263 R N 4.646 125.143 120.500 -0.005 0.000 2.748 263 R HA 0.693 5.034 4.340 0.001 0.000 0.283 263 R C -0.037 176.292 176.300 0.048 0.000 1.507 263 R CA 0.009 56.140 56.100 0.052 0.000 1.666 263 R CB 0.914 31.228 30.300 0.023 0.000 1.237 263 R HN 0.972 nan 8.270 nan 0.000 0.633 264 G N 0.072 108.916 108.800 0.074 0.000 2.470 264 G HA2 -0.082 3.878 3.960 0.001 0.000 0.145 264 G HA3 -0.082 3.878 3.960 0.001 0.000 0.145 264 G C -1.009 173.933 174.900 0.069 0.000 1.223 264 G CA -0.268 44.864 45.100 0.054 0.000 1.058 264 G HN 0.232 nan 8.290 nan 0.000 0.469 265 T N -1.608 112.979 114.554 0.055 0.000 2.876 265 T HA 0.704 5.054 4.350 0.001 0.000 0.289 265 T C -1.273 173.469 174.700 0.069 0.000 1.014 265 T CA -0.567 61.571 62.100 0.063 0.000 0.986 265 T CB 2.036 70.932 68.868 0.047 0.000 1.021 265 T HN 1.516 nan 8.240 nan 0.000 0.458 266 L N 1.705 122.984 121.223 0.093 0.000 2.349 266 L HA 0.612 4.952 4.340 0.001 0.000 0.278 266 L C -0.378 176.568 176.870 0.128 0.000 0.996 266 L CA -0.534 54.376 54.840 0.116 0.000 0.825 266 L CB 1.542 43.696 42.059 0.158 0.000 1.243 266 L HN 0.942 nan 8.230 nan 0.000 0.412 267 E N 3.263 123.516 120.200 0.089 0.000 2.175 267 E HA 0.479 4.829 4.350 0.001 0.000 0.278 267 E C -1.454 175.193 176.600 0.078 0.000 0.969 267 E CA -0.543 55.879 56.400 0.037 0.000 0.796 267 E CB 0.804 30.503 29.700 -0.003 0.000 1.104 267 E HN 0.836 nan 8.360 nan 0.000 0.395 268 H N 0.915 119.988 119.070 0.003 0.000 2.895 268 H HA 0.649 5.205 4.556 0.001 0.000 0.373 268 H C -0.015 175.309 175.328 -0.007 0.000 1.174 268 H CA -0.917 55.130 56.048 -0.001 0.000 1.144 268 H CB 1.313 31.073 29.762 -0.005 0.000 1.793 268 H HN 0.498 nan 8.280 nan 0.000 0.551 269 G N 0.570 109.422 108.800 0.088 0.000 2.543 269 G HA2 0.350 4.310 3.960 0.001 0.000 0.267 269 G HA3 0.350 4.310 3.960 0.001 0.000 0.267 269 G C -0.745 174.244 174.900 0.148 0.000 1.406 269 G CA -1.169 43.960 45.100 0.049 0.000 1.048 269 G HN 0.922 nan 8.290 nan 0.000 0.548 270 K N -0.800 119.646 120.400 0.076 0.000 2.118 270 K HA 0.339 4.659 4.320 0.001 0.000 0.264 270 K C -0.804 175.824 176.600 0.046 0.000 1.000 270 K CA -0.152 56.177 56.287 0.070 0.000 0.929 270 K CB 1.202 33.722 32.500 0.034 0.000 1.021 270 K HN 0.339 nan 8.250 nan 0.000 0.463 271 D N -0.238 120.179 120.400 0.029 0.000 2.772 271 D HA -0.130 4.510 4.640 0.001 0.000 0.233 271 D C -0.583 175.724 176.300 0.012 0.000 1.143 271 D CA 0.622 54.629 54.000 0.012 0.000 0.700 271 D CB -1.279 39.526 40.800 0.008 0.000 1.076 271 D HN 0.332 nan 8.370 nan 0.000 0.430 272 V N 0.605 120.526 119.914 0.010 0.000 2.555 272 V HA 0.119 4.239 4.120 0.001 0.000 0.286 272 V C 0.869 176.959 176.094 -0.008 0.000 1.044 272 V CA 0.275 62.575 62.300 0.000 0.000 1.026 272 V CB 1.494 33.316 31.823 -0.003 0.000 0.981 272 V HN 0.011 nan 8.190 nan 0.000 0.480 273 E N 5.006 125.213 120.200 0.011 0.000 2.176 273 E HA 0.598 4.948 4.350 0.001 0.000 0.267 273 E C -1.131 175.448 176.600 -0.036 0.000 0.893 273 E CA -0.499 55.938 56.400 0.061 0.000 0.761 273 E CB 2.374 32.164 29.700 0.150 0.000 1.133 273 E HN 0.535 nan 8.360 nan 0.000 0.409 274 I N 2.581 123.107 120.570 -0.073 0.000 2.439 274 I HA 0.201 4.371 4.170 0.001 0.000 0.283 274 I C -0.078 175.833 176.117 -0.344 0.000 1.023 274 I CA -0.779 60.429 61.300 -0.155 0.000 1.100 274 I CB 1.343 39.311 38.000 -0.053 0.000 1.238 274 I HN 0.456 nan 8.210 nan 0.000 0.445 275 D N 4.125 124.191 120.400 -0.556 0.000 2.393 275 D HA 0.180 4.820 4.640 0.001 0.000 0.246 275 D C -0.063 176.068 176.300 -0.280 0.000 1.275 275 D CA -0.118 53.436 54.000 -0.743 0.000 0.979 275 D CB 1.508 41.915 40.800 -0.656 0.000 1.101 275 D HN 0.250 nan 8.370 nan 0.000 0.505 276 V N -0.128 119.678 119.914 -0.179 0.000 2.924 276 V HA 0.226 4.347 4.120 0.001 0.000 0.305 276 V C 0.272 176.340 176.094 -0.043 0.000 1.073 276 V CA -0.907 61.371 62.300 -0.037 0.000 1.098 276 V CB 0.492 32.322 31.823 0.012 0.000 1.000 276 V HN 0.689 nan 8.190 nan 0.000 0.484 277 N N 0.579 119.286 118.700 0.012 0.000 2.756 277 N HA -0.131 4.609 4.740 0.001 0.000 0.248 277 N C -0.500 174.992 175.510 -0.030 0.000 1.062 277 N CA 0.933 53.985 53.050 0.003 0.000 0.696 277 N CB -1.256 37.242 38.487 0.017 0.000 0.946 277 N HN 0.739 nan 8.380 nan 0.000 0.548 278 V N 1.082 120.985 119.914 -0.018 0.000 2.547 278 V HA 0.556 4.677 4.120 0.001 0.000 0.299 278 V C 0.849 176.867 176.094 -0.127 0.000 1.040 278 V CA -0.580 61.693 62.300 -0.046 0.000 0.913 278 V CB 2.260 34.088 31.823 0.008 0.000 0.992 278 V HN 0.132 nan 8.190 nan 0.000 0.449 279 I N 5.177 125.670 120.570 -0.128 0.000 2.436 279 I HA 0.472 4.642 4.170 0.001 0.000 0.289 279 I C -1.012 175.019 176.117 -0.143 0.000 1.010 279 I CA -0.549 60.644 61.300 -0.180 0.000 1.098 279 I CB 1.911 39.850 38.000 -0.100 0.000 1.266 279 I HN 0.292 nan 8.210 nan 0.000 0.434 280 I N 5.768 126.223 120.570 -0.193 0.000 2.389 280 I HA 0.430 4.601 4.170 0.001 0.000 0.288 280 I C -0.123 175.952 176.117 -0.070 0.000 0.999 280 I CA -0.450 60.792 61.300 -0.096 0.000 1.129 280 I CB 1.373 39.337 38.000 -0.060 0.000 1.288 280 I HN 0.634 nan 8.210 nan 0.000 0.444 281 E N 3.205 123.386 120.200 -0.032 0.000 2.312 281 E HA 0.658 5.008 4.350 0.001 0.000 0.267 281 E C 0.345 176.945 176.600 -0.000 0.000 0.894 281 E CA -0.679 55.713 56.400 -0.015 0.000 0.773 281 E CB 2.606 32.298 29.700 -0.013 0.000 1.241 281 E HN 0.762 nan 8.360 nan 0.000 0.432 282 G N 2.760 111.564 108.800 0.006 0.000 2.566 282 G HA2 -0.276 3.684 3.960 0.001 0.000 0.280 282 G HA3 -0.276 3.684 3.960 0.001 0.000 0.280 282 G C -0.448 174.460 174.900 0.013 0.000 1.225 282 G CA -0.432 44.672 45.100 0.007 0.000 0.966 282 G HN 0.563 nan 8.290 nan 0.000 0.560 283 N N 0.497 119.204 118.700 0.011 0.000 2.439 283 N HA 0.500 5.240 4.740 0.001 0.000 0.249 283 N C -0.466 175.055 175.510 0.017 0.000 1.003 283 N CA -0.119 52.941 53.050 0.016 0.000 0.942 283 N CB 1.758 40.251 38.487 0.011 0.000 1.115 283 N HN 0.511 nan 8.380 nan 0.000 0.505 284 V N 2.082 122.012 119.914 0.027 0.000 2.555 284 V HA 0.406 4.526 4.120 0.001 0.000 0.302 284 V C 0.083 176.199 176.094 0.036 0.000 1.038 284 V CA -0.804 61.513 62.300 0.029 0.000 0.887 284 V CB 2.398 34.241 31.823 0.033 0.000 0.991 284 V HN 0.484 nan 8.190 nan 0.000 0.434 285 K N 4.857 125.273 120.400 0.028 0.000 2.463 285 K HA 0.696 5.016 4.320 0.001 0.000 0.255 285 K C -1.750 174.867 176.600 0.028 0.000 0.942 285 K CA -0.578 55.725 56.287 0.027 0.000 0.814 285 K CB 1.354 33.861 32.500 0.012 0.000 1.122 285 K HN 0.630 nan 8.250 nan 0.000 0.425 286 L N 3.416 124.666 121.223 0.046 0.000 2.341 286 L HA 0.523 4.864 4.340 0.001 0.000 0.278 286 L C 0.818 177.711 176.870 0.038 0.000 1.005 286 L CA -1.039 53.826 54.840 0.042 0.000 0.818 286 L CB 1.841 43.935 42.059 0.059 0.000 1.259 286 L HN 0.800 nan 8.230 nan 0.000 0.418 287 G N 1.040 109.852 108.800 0.019 0.000 2.535 287 G HA2 0.173 4.134 3.960 0.001 0.000 0.282 287 G HA3 0.173 4.134 3.960 0.001 0.000 0.282 287 G C -0.500 174.413 174.900 0.021 0.000 1.350 287 G CA -0.563 44.544 45.100 0.012 0.000 1.039 287 G HN 0.562 nan 8.290 nan 0.000 0.509 288 D N -0.206 120.202 120.400 0.013 0.000 2.414 288 D HA 0.198 4.838 4.640 0.001 0.000 0.242 288 D C 0.715 177.021 176.300 0.010 0.000 1.129 288 D CA 0.346 54.356 54.000 0.016 0.000 0.885 288 D CB 0.723 41.528 40.800 0.008 0.000 1.198 288 D HN 0.458 nan 8.370 nan 0.000 0.437 289 R N -0.765 119.743 120.500 0.013 0.000 3.770 289 R HA -0.151 4.189 4.340 0.001 0.000 0.305 289 R C -0.385 175.915 176.300 0.000 0.000 1.184 289 R CA 0.093 56.197 56.100 0.006 0.000 0.823 289 R CB -2.050 28.252 30.300 0.002 0.000 1.285 289 R HN 0.218 nan 8.270 nan 0.000 0.499 290 V N 1.414 121.329 119.914 0.002 0.000 2.572 290 V HA 0.098 4.219 4.120 0.001 0.000 0.291 290 V C 0.849 176.934 176.094 -0.015 0.000 1.039 290 V CA 0.382 62.677 62.300 -0.008 0.000 1.055 290 V CB 1.295 33.116 31.823 -0.003 0.000 0.969 290 V HN 0.115 nan 8.190 nan 0.000 0.482 291 K N 5.865 126.248 120.400 -0.029 0.000 2.358 291 K HA 0.623 4.944 4.320 0.001 0.000 0.260 291 K C -1.103 175.451 176.600 -0.076 0.000 0.956 291 K CA -0.443 55.818 56.287 -0.044 0.000 0.834 291 K CB 2.024 34.503 32.500 -0.034 0.000 1.102 291 K HN 0.510 nan 8.250 nan 0.000 0.431 292 I N 2.163 122.671 120.570 -0.103 0.000 2.362 292 I HA 0.263 4.433 4.170 0.001 0.000 0.289 292 I C 0.749 176.746 176.117 -0.199 0.000 0.994 292 I CA -0.657 60.567 61.300 -0.126 0.000 1.158 292 I CB 1.797 39.744 38.000 -0.089 0.000 1.315 292 I HN 0.661 nan 8.210 nan 0.000 0.451 293 G N 3.225 111.897 108.800 -0.214 0.000 2.580 293 G HA2 0.258 4.218 3.960 0.001 0.000 0.278 293 G HA3 0.258 4.218 3.960 0.001 0.000 0.278 293 G C -0.121 174.584 174.900 -0.326 0.000 1.212 293 G CA -0.271 44.666 45.100 -0.273 0.000 0.939 293 G HN 0.475 nan 8.290 nan 0.000 0.513 294 T N -1.347 112.979 114.554 -0.380 0.000 2.930 294 T HA 0.407 4.757 4.350 0.001 0.000 0.306 294 T C 1.575 175.906 174.700 -0.616 0.000 1.045 294 T CA 1.714 63.574 62.100 -0.399 0.000 1.134 294 T CB 0.114 68.791 68.868 -0.319 0.000 0.961 294 T HN 2.005 nan 8.240 nan 0.000 0.545 295 G N 2.654 111.218 108.800 -0.394 0.000 2.179 295 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 295 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 295 G C 0.546 175.350 174.900 -0.160 0.000 0.977 295 G CA 0.058 44.979 45.100 -0.298 0.000 0.641 295 G HN 0.964 nan 8.290 nan 0.000 0.533 296 C N 0.248 119.437 119.300 -0.186 0.000 2.605 296 C HA 0.610 5.071 4.460 0.001 0.000 0.404 296 C C 0.925 175.882 174.990 -0.054 0.000 1.284 296 C CA -0.361 58.592 59.018 -0.108 0.000 2.199 296 C CB 1.168 28.833 27.740 -0.124 0.000 2.647 296 C HN 0.435 nan 8.230 nan 0.000 0.604 297 V N 4.070 123.969 119.914 -0.025 0.000 2.483 297 V HA 0.455 4.575 4.120 0.001 0.000 0.297 297 V C -0.667 175.418 176.094 -0.015 0.000 1.027 297 V CA -0.323 61.966 62.300 -0.018 0.000 0.855 297 V CB 1.329 33.154 31.823 0.005 0.000 0.995 297 V HN 0.578 nan 8.190 nan 0.000 0.424 298 L N 5.115 126.326 121.223 -0.021 0.000 2.343 298 L HA 0.594 4.934 4.340 0.001 0.000 0.278 298 L C -0.245 176.619 176.870 -0.009 0.000 0.996 298 L CA -0.067 54.766 54.840 -0.012 0.000 0.831 298 L CB 1.660 43.713 42.059 -0.010 0.000 1.232 298 L HN 0.596 nan 8.230 nan 0.000 0.413 299 K N 3.649 124.047 120.400 -0.003 0.000 2.502 299 K HA 0.412 4.732 4.320 0.001 0.000 0.254 299 K C -0.666 175.935 176.600 0.002 0.000 0.947 299 K CA -0.454 55.832 56.287 -0.001 0.000 0.834 299 K CB 0.664 33.164 32.500 -0.000 0.000 1.112 299 K HN 0.560 nan 8.250 nan 0.000 0.427 300 N N 1.374 120.076 118.700 0.003 0.000 2.681 300 N HA -0.149 4.591 4.740 0.001 0.000 0.259 300 N C -0.984 174.528 175.510 0.003 0.000 1.066 300 N CA 1.280 54.333 53.050 0.004 0.000 0.717 300 N CB -1.212 37.276 38.487 0.002 0.000 0.885 300 N HN 0.454 nan 8.380 nan 0.000 0.547 301 V N -3.373 116.543 119.914 0.004 0.000 2.962 301 V HA 0.854 4.974 4.120 0.001 0.000 0.313 301 V C 0.164 176.260 176.094 0.004 0.000 1.099 301 V CA -0.904 61.398 62.300 0.002 0.000 0.971 301 V CB 2.895 34.718 31.823 -0.000 0.000 1.028 301 V HN -0.098 nan 8.190 nan 0.000 0.430 302 V N 4.738 124.652 119.914 0.000 0.000 2.448 302 V HA 0.584 4.704 4.120 0.001 0.000 0.295 302 V C -0.523 175.569 176.094 -0.005 0.000 1.025 302 V CA -0.376 61.923 62.300 -0.000 0.000 0.859 302 V CB 1.426 33.247 31.823 -0.002 0.000 0.988 302 V HN 0.745 nan 8.190 nan 0.000 0.431 303 I N 4.001 124.569 120.570 -0.003 0.000 2.436 303 I HA 0.517 4.687 4.170 0.001 0.000 0.289 303 I C 0.840 176.952 176.117 -0.009 0.000 1.010 303 I CA -0.073 61.221 61.300 -0.010 0.000 1.098 303 I CB 1.465 39.459 38.000 -0.009 0.000 1.266 303 I HN 0.689 nan 8.210 nan 0.000 0.434 304 G N 4.983 113.773 108.800 -0.016 0.000 2.621 304 G HA2 0.161 4.121 3.960 0.001 0.000 0.271 304 G HA3 0.161 4.121 3.960 0.001 0.000 0.271 304 G C 0.166 175.057 174.900 -0.015 0.000 1.236 304 G CA -0.493 44.598 45.100 -0.016 0.000 0.958 304 G HN 0.610 nan 8.290 nan 0.000 0.512 305 N N 0.856 119.548 118.700 -0.013 0.000 2.407 305 N HA 0.065 4.805 4.740 0.001 0.000 0.250 305 N C 0.188 175.688 175.510 -0.017 0.000 1.236 305 N CA 0.385 53.428 53.050 -0.011 0.000 0.879 305 N CB 0.401 38.882 38.487 -0.010 0.000 1.088 305 N HN 0.558 nan 8.380 nan 0.000 0.450 306 D N -1.343 119.048 120.400 -0.015 0.000 3.041 306 D HA -0.157 4.483 4.640 0.001 0.000 0.220 306 D C -0.724 175.557 176.300 -0.031 0.000 1.157 306 D CA 0.499 54.487 54.000 -0.020 0.000 0.876 306 D CB -1.204 39.585 40.800 -0.018 0.000 1.107 306 D HN 0.156 nan 8.370 nan 0.000 0.422 307 V N 0.833 120.727 119.914 -0.034 0.000 2.583 307 V HA 0.171 4.292 4.120 0.001 0.000 0.287 307 V C 0.726 176.792 176.094 -0.046 0.000 1.051 307 V CA 0.041 62.312 62.300 -0.047 0.000 1.010 307 V CB 1.889 33.684 31.823 -0.046 0.000 0.988 307 V HN 0.062 nan 8.190 nan 0.000 0.478 308 E N 4.490 124.657 120.200 -0.055 0.000 2.151 308 E HA 0.525 4.875 4.350 0.001 0.000 0.275 308 E C -1.264 175.293 176.600 -0.071 0.000 0.936 308 E CA -0.634 55.731 56.400 -0.058 0.000 0.777 308 E CB 1.340 31.010 29.700 -0.051 0.000 1.108 308 E HN 0.616 nan 8.360 nan 0.000 0.401 309 I N 4.643 125.165 120.570 -0.080 0.000 2.355 309 I HA 0.283 4.453 4.170 0.001 0.000 0.288 309 I C 0.163 176.204 176.117 -0.127 0.000 0.999 309 I CA -0.673 60.570 61.300 -0.095 0.000 1.163 309 I CB 1.366 39.315 38.000 -0.086 0.000 1.316 309 I HN 0.322 nan 8.210 nan 0.000 0.454 310 K N 6.502 126.819 120.400 -0.138 0.000 2.102 310 K HA 0.411 4.731 4.320 0.001 0.000 0.244 310 K C -2.391 174.056 176.600 -0.255 0.000 1.021 310 K CA -1.520 54.661 56.287 -0.177 0.000 0.913 310 K CB 0.405 32.813 32.500 -0.153 0.000 1.062 310 K HN 0.199 nan 8.250 nan 0.000 0.485 311 P HA -0.127 nan 4.420 nan 0.000 0.266 311 P C -1.116 175.866 177.300 -0.529 0.000 1.186 311 P CA 0.633 63.408 63.100 -0.541 0.000 0.767 311 P CB 0.039 31.400 31.700 -0.564 0.000 0.820 312 Y N -1.492 118.653 120.300 -0.259 0.000 3.234 312 Y HA -0.217 4.333 4.550 0.001 0.000 0.207 312 Y C 0.151 175.972 175.900 -0.132 0.000 1.316 312 Y CA 0.005 57.988 58.100 -0.195 0.000 1.309 312 Y CB -2.485 35.817 38.460 -0.263 0.000 1.408 312 Y HN 0.161 nan 8.280 nan 0.000 0.544 313 S N 0.139 115.808 115.700 -0.051 0.000 2.475 313 S HA 0.738 5.208 4.470 0.001 0.000 0.298 313 S C -0.063 174.544 174.600 0.012 0.000 1.119 313 S CA -0.854 57.338 58.200 -0.013 0.000 1.085 313 S CB 2.304 65.467 63.200 -0.062 0.000 1.028 313 S HN 0.116 nan 8.310 nan 0.000 0.489 314 V N 4.403 124.341 119.914 0.041 0.000 2.444 314 V HA 0.524 4.645 4.120 0.001 0.000 0.294 314 V C -1.181 174.930 176.094 0.028 0.000 1.022 314 V CA -0.594 61.729 62.300 0.039 0.000 0.850 314 V CB 1.150 33.010 31.823 0.063 0.000 0.992 314 V HN 0.636 nan 8.190 nan 0.000 0.426 315 L N 4.573 125.804 121.223 0.014 0.000 2.385 315 L HA 0.683 5.024 4.340 0.001 0.000 0.273 315 L C -0.369 176.507 176.870 0.010 0.000 0.990 315 L CA -0.127 54.718 54.840 0.010 0.000 0.821 315 L CB 1.983 44.041 42.059 -0.002 0.000 1.279 315 L HN 0.703 nan 8.230 nan 0.000 0.412 316 E N 1.842 122.050 120.200 0.013 0.000 2.292 316 E HA 0.324 4.674 4.350 0.001 0.000 0.272 316 E C -1.228 175.377 176.600 0.009 0.000 0.881 316 E CA -0.537 55.869 56.400 0.010 0.000 0.754 316 E CB 1.283 30.991 29.700 0.013 0.000 1.201 316 E HN 0.609 nan 8.360 nan 0.000 0.425 317 D N 1.890 122.293 120.400 0.006 0.000 2.697 317 D HA -0.146 4.495 4.640 0.001 0.000 0.235 317 D C -1.209 175.093 176.300 0.004 0.000 1.167 317 D CA 1.225 55.227 54.000 0.004 0.000 0.656 317 D CB -0.952 39.850 40.800 0.005 0.000 1.025 317 D HN 0.229 nan 8.370 nan 0.000 0.419 318 S N -0.573 115.128 115.700 0.002 0.000 2.599 318 S HA 0.787 5.257 4.470 0.001 0.000 0.287 318 S C 0.193 174.791 174.600 -0.004 0.000 1.105 318 S CA -0.725 57.475 58.200 -0.001 0.000 0.899 318 S CB 2.403 65.603 63.200 0.000 0.000 1.100 318 S HN 0.178 nan 8.310 nan 0.000 0.482 319 I N 1.582 122.148 120.570 -0.007 0.000 2.509 319 I HA 0.598 4.768 4.170 0.001 0.000 0.293 319 I C -1.231 174.877 176.117 -0.015 0.000 1.020 319 I CA -0.897 60.397 61.300 -0.010 0.000 1.088 319 I CB 2.016 40.011 38.000 -0.009 0.000 1.267 319 I HN 0.233 nan 8.210 nan 0.000 0.430 320 V N 4.203 124.106 119.914 -0.019 0.000 2.525 320 V HA 0.544 4.664 4.120 0.001 0.000 0.299 320 V C 0.491 176.567 176.094 -0.030 0.000 1.034 320 V CA -0.600 61.683 62.300 -0.028 0.000 0.863 320 V CB 1.595 33.399 31.823 -0.032 0.000 0.999 320 V HN 0.909 nan 8.190 nan 0.000 0.423 321 G N 2.961 111.741 108.800 -0.035 0.000 2.599 321 G HA2 0.468 4.429 3.960 0.001 0.000 0.264 321 G HA3 0.468 4.429 3.960 0.001 0.000 0.264 321 G C 0.001 174.876 174.900 -0.041 0.000 1.200 321 G CA -0.458 44.622 45.100 -0.033 0.000 0.896 321 G HN 0.921 nan 8.290 nan 0.000 0.536 322 E N -0.567 119.612 120.200 -0.034 0.000 2.413 322 E HA 0.150 4.500 4.350 0.001 0.000 0.263 322 E C -0.185 176.385 176.600 -0.050 0.000 1.015 322 E CA 0.076 56.455 56.400 -0.035 0.000 0.916 322 E CB 0.445 30.130 29.700 -0.024 0.000 0.947 322 E HN 0.571 nan 8.360 nan 0.000 0.440 323 K N -0.668 119.700 120.400 -0.053 0.000 3.407 323 K HA -0.239 4.081 4.320 0.001 0.000 0.312 323 K C 0.034 176.561 176.600 -0.122 0.000 1.302 323 K CA 0.611 56.858 56.287 -0.067 0.000 0.931 323 K CB -2.065 30.406 32.500 -0.049 0.000 1.257 323 K HN 0.691 nan 8.250 nan 0.000 0.454 324 A N 0.944 123.687 122.820 -0.129 0.000 2.406 324 A HA 0.610 4.931 4.320 0.001 0.000 0.243 324 A C 0.333 177.810 177.584 -0.177 0.000 1.082 324 A CA 0.426 52.350 52.037 -0.188 0.000 0.786 324 A CB 0.504 19.425 19.000 -0.131 0.000 1.029 324 A HN 0.489 nan 8.150 nan 0.000 0.495 325 A N 1.308 123.995 122.820 -0.221 0.000 2.353 325 A HA 0.665 4.985 4.320 0.001 0.000 0.299 325 A C -0.637 176.892 177.584 -0.092 0.000 1.089 325 A CA -0.326 51.632 52.037 -0.131 0.000 0.736 325 A CB 0.534 19.480 19.000 -0.090 0.000 1.195 325 A HN 0.687 nan 8.150 nan 0.000 0.447 326 I N 2.075 122.599 120.570 -0.076 0.000 2.509 326 I HA 0.723 4.893 4.170 0.001 0.000 0.293 326 I C 0.712 176.782 176.117 -0.078 0.000 1.020 326 I CA -0.148 61.112 61.300 -0.066 0.000 1.088 326 I CB 2.087 40.051 38.000 -0.060 0.000 1.267 326 I HN 1.166 nan 8.210 nan 0.000 0.430 327 G N 6.154 114.906 108.800 -0.080 0.000 2.685 327 G HA2 -0.091 3.870 3.960 0.001 0.000 0.387 327 G HA3 -0.091 3.870 3.960 0.001 0.000 0.387 327 G C -3.149 171.673 174.900 -0.130 0.000 1.324 327 G CA -1.032 43.999 45.100 -0.114 0.000 0.878 327 G HN 0.450 nan 8.290 nan 0.000 0.527 328 P HA 0.544 nan 4.420 nan 0.000 0.277 328 P C 0.276 177.435 177.300 -0.233 0.000 1.271 328 P CA 0.053 62.962 63.100 -0.319 0.000 0.795 328 P CB 0.062 31.459 31.700 -0.505 0.000 1.101 329 F N -3.242 116.683 119.950 -0.041 0.000 3.091 329 F HA -0.189 4.338 4.527 0.000 0.000 0.288 329 F C 0.326 176.087 175.800 -0.065 0.000 0.907 329 F CA 0.606 58.581 58.000 -0.043 0.000 1.028 329 F CB -2.887 35.996 39.000 -0.196 0.000 1.022 329 F HN 0.018 nan 8.300 nan 0.000 0.665 330 S N 0.074 115.813 115.700 0.066 0.000 2.565 330 S HA 0.717 5.187 4.470 0.001 0.000 0.290 330 S C 0.215 174.860 174.600 0.075 0.000 1.150 330 S CA -0.856 57.375 58.200 0.051 0.000 1.058 330 S CB 2.490 65.689 63.200 -0.001 0.000 1.032 330 S HN 0.343 nan 8.310 nan 0.000 0.510 331 R N 2.394 122.944 120.500 0.084 0.000 2.476 331 R HA 0.460 4.800 4.340 0.001 0.000 0.305 331 R C -1.622 174.717 176.300 0.065 0.000 0.965 331 R CA -0.443 55.706 56.100 0.081 0.000 0.867 331 R CB 0.675 31.037 30.300 0.103 0.000 1.176 331 R HN 0.576 nan 8.270 nan 0.000 0.447 332 L N 5.214 126.465 121.223 0.045 0.000 2.298 332 L HA 0.537 4.877 4.340 0.001 0.000 0.284 332 L C 0.284 177.177 176.870 0.038 0.000 1.013 332 L CA -0.681 54.180 54.840 0.035 0.000 0.824 332 L CB 1.648 43.716 42.059 0.016 0.000 1.221 332 L HN 0.483 nan 8.230 nan 0.000 0.418 333 R N 3.015 123.543 120.500 0.047 0.000 2.607 333 R HA 0.457 4.798 4.340 0.001 0.000 0.261 333 R C -2.395 173.924 176.300 0.032 0.000 1.051 333 R CA -1.892 54.236 56.100 0.046 0.000 1.110 333 R CB 0.646 30.987 30.300 0.069 0.000 1.158 333 R HN 0.278 nan 8.270 nan 0.000 0.543 334 P HA -0.090 nan 4.420 nan 0.000 0.263 334 P C 0.319 177.628 177.300 0.016 0.000 1.175 334 P CA 1.324 64.434 63.100 0.017 0.000 0.761 334 P CB 0.378 32.087 31.700 0.015 0.000 0.794 335 G N 1.733 110.538 108.800 0.009 0.000 2.157 335 G HA2 -0.173 3.787 3.960 0.001 0.000 0.248 335 G HA3 -0.173 3.787 3.960 0.001 0.000 0.248 335 G C 0.365 175.266 174.900 0.001 0.000 0.979 335 G CA -0.067 45.036 45.100 0.005 0.000 0.650 335 G HN 0.844 nan 8.290 nan 0.000 0.529 336 A N 0.255 123.076 122.820 0.003 0.000 2.409 336 A HA 0.620 4.940 4.320 0.001 0.000 0.267 336 A C 0.314 177.894 177.584 -0.007 0.000 1.127 336 A CA 0.284 52.319 52.037 -0.004 0.000 0.795 336 A CB 0.272 19.272 19.000 0.001 0.000 1.061 336 A HN 0.467 nan 8.150 nan 0.000 0.502 337 E N 2.776 122.969 120.200 -0.011 0.000 2.235 337 E HA 0.389 4.740 4.350 0.001 0.000 0.252 337 E C -1.370 175.221 176.600 -0.015 0.000 0.886 337 E CA -0.221 56.172 56.400 -0.012 0.000 0.767 337 E CB 1.517 31.212 29.700 -0.009 0.000 1.205 337 E HN 0.634 nan 8.360 nan 0.000 0.421 338 L N 2.389 123.601 121.223 -0.019 0.000 2.282 338 L HA 0.612 4.952 4.340 0.001 0.000 0.288 338 L C 0.535 177.389 176.870 -0.027 0.000 1.033 338 L CA -0.762 54.063 54.840 -0.025 0.000 0.807 338 L CB 1.264 43.303 42.059 -0.033 0.000 1.209 338 L HN 0.510 nan 8.230 nan 0.000 0.423 339 A N 2.742 125.548 122.820 -0.024 0.000 2.267 339 A HA 0.706 5.027 4.320 0.001 0.000 0.271 339 A C 0.479 178.042 177.584 -0.035 0.000 1.131 339 A CA -0.064 51.960 52.037 -0.023 0.000 0.818 339 A CB 0.331 19.323 19.000 -0.013 0.000 1.118 339 A HN 0.812 nan 8.150 nan 0.000 0.501 340 A N -0.872 121.930 122.820 -0.031 0.000 2.520 340 A HA 0.415 4.735 4.320 0.001 0.000 0.235 340 A C 0.594 178.145 177.584 -0.054 0.000 1.065 340 A CA 0.796 52.809 52.037 -0.041 0.000 0.764 340 A CB -0.678 18.306 19.000 -0.026 0.000 1.002 340 A HN 1.126 nan 8.150 nan 0.000 0.502 341 E N -0.803 119.342 120.200 -0.091 0.000 2.791 341 E HA -0.199 4.151 4.350 0.001 0.000 0.271 341 E C 0.295 176.771 176.600 -0.206 0.000 1.044 341 E CA 0.857 57.180 56.400 -0.128 0.000 0.814 341 E CB -2.408 27.274 29.700 -0.030 0.000 1.400 341 E HN 1.040 nan 8.360 nan 0.000 0.423 342 T N -1.782 112.641 114.554 -0.218 0.000 2.847 342 T HA 0.503 4.854 4.350 0.001 0.000 0.279 342 T C -0.107 174.335 174.700 -0.431 0.000 0.984 342 T CA -0.544 61.455 62.100 -0.169 0.000 0.988 342 T CB 1.172 70.000 68.868 -0.068 0.000 1.040 342 T HN 0.217 nan 8.240 nan 0.000 0.528 343 H N -1.227 117.824 119.070 -0.031 0.000 2.840 343 H HA 0.617 5.174 4.556 0.001 0.000 0.340 343 H C -1.126 174.171 175.328 -0.052 0.000 1.004 343 H CA -0.671 55.351 56.048 -0.044 0.000 1.288 343 H CB 1.595 31.329 29.762 -0.046 0.000 1.607 343 H HN 0.519 nan 8.280 nan 0.000 0.522 344 V N 2.790 122.718 119.914 0.024 0.000 2.531 344 V HA 0.739 4.859 4.120 0.001 0.000 0.301 344 V C 0.562 176.635 176.094 -0.036 0.000 1.034 344 V CA -0.472 61.824 62.300 -0.007 0.000 0.865 344 V CB 1.830 33.645 31.823 -0.014 0.000 0.995 344 V HN 0.948 nan 8.190 nan 0.000 0.424 345 G N 3.118 111.880 108.800 -0.065 0.000 3.107 345 G HA2 0.381 4.341 3.960 0.001 0.000 0.232 345 G HA3 0.381 4.341 3.960 0.001 0.000 0.232 345 G C -0.340 174.481 174.900 -0.131 0.000 1.339 345 G CA -0.989 44.038 45.100 -0.121 0.000 1.033 345 G HN 0.832 nan 8.290 nan 0.000 0.567 346 N N -1.291 117.271 118.700 -0.230 0.000 2.518 346 N HA 0.185 4.926 4.740 0.001 0.000 0.266 346 N C -0.746 174.508 175.510 -0.426 0.000 1.196 346 N CA -0.254 52.496 53.050 -0.500 0.000 0.947 346 N CB 0.441 38.404 38.487 -0.874 0.000 1.098 346 N HN 0.396 nan 8.380 nan 0.000 0.450 347 F N -1.793 118.249 119.950 0.155 0.000 3.074 347 F HA -0.179 4.348 4.527 0.000 0.000 0.287 347 F C -0.873 174.985 175.800 0.095 0.000 0.932 347 F CA -0.265 57.790 58.000 0.092 0.000 0.995 347 F CB -2.311 36.711 39.000 0.038 0.000 0.966 347 F HN 0.248 nan 8.300 nan 0.000 0.721 348 V N 0.117 120.130 119.914 0.165 0.000 2.555 348 V HA 0.548 4.668 4.120 0.001 0.000 0.302 348 V C 0.095 176.269 176.094 0.134 0.000 1.038 348 V CA -1.039 61.342 62.300 0.134 0.000 0.887 348 V CB 2.299 34.165 31.823 0.071 0.000 0.991 348 V HN 0.295 nan 8.190 nan 0.000 0.434 349 E N 4.685 124.984 120.200 0.165 0.000 2.199 349 E HA 0.624 4.974 4.350 0.001 0.000 0.265 349 E C -1.637 175.054 176.600 0.151 0.000 0.882 349 E CA -0.585 55.930 56.400 0.191 0.000 0.759 349 E CB 1.669 31.536 29.700 0.278 0.000 1.148 349 E HN 0.658 nan 8.360 nan 0.000 0.412 350 I N 4.491 125.111 120.570 0.084 0.000 2.418 350 I HA 0.360 4.531 4.170 0.001 0.000 0.287 350 I C -0.404 175.733 176.117 0.033 0.000 1.008 350 I CA -0.741 60.562 61.300 0.004 0.000 1.104 350 I CB 1.783 39.776 38.000 -0.012 0.000 1.264 350 I HN 0.318 nan 8.210 nan 0.000 0.438 351 K N 6.737 127.140 120.400 0.005 0.000 2.471 351 K HA 0.285 4.605 4.320 0.001 0.000 0.252 351 K C -0.371 176.230 176.600 0.002 0.000 0.938 351 K CA -0.762 55.555 56.287 0.050 0.000 0.796 351 K CB 1.479 34.078 32.500 0.166 0.000 1.161 351 K HN 0.527 nan 8.250 nan 0.000 0.425 352 K N 2.046 122.451 120.400 0.009 0.000 3.490 352 K HA -0.154 4.166 4.320 0.001 0.000 0.273 352 K C -1.488 175.102 176.600 -0.016 0.000 0.916 352 K CA 0.777 57.065 56.287 0.002 0.000 0.718 352 K CB -1.069 31.438 32.500 0.012 0.000 1.477 352 K HN 0.613 nan 8.250 nan 0.000 0.452 353 S N -0.218 115.467 115.700 -0.025 0.000 2.564 353 S HA 0.425 4.896 4.470 0.001 0.000 0.274 353 S C -0.578 174.008 174.600 -0.025 0.000 1.124 353 S CA -0.579 57.600 58.200 -0.035 0.000 0.869 353 S CB 2.079 65.239 63.200 -0.067 0.000 1.105 353 S HN 0.377 nan 8.310 nan 0.000 0.472 354 T N -0.896 113.646 114.554 -0.021 0.000 2.824 354 T HA 0.774 5.124 4.350 0.001 0.000 0.280 354 T C -0.710 173.979 174.700 -0.018 0.000 0.995 354 T CA -0.681 61.410 62.100 -0.016 0.000 1.009 354 T CB 0.958 69.821 68.868 -0.009 0.000 0.955 354 T HN 0.324 nan 8.240 nan 0.000 0.452 355 V N 2.631 122.536 119.914 -0.016 0.000 2.483 355 V HA 0.712 4.832 4.120 0.001 0.000 0.297 355 V C 0.929 177.019 176.094 -0.007 0.000 1.027 355 V CA -0.751 61.541 62.300 -0.013 0.000 0.855 355 V CB 1.520 33.334 31.823 -0.015 0.000 0.995 355 V HN 1.257 nan 8.190 nan 0.000 0.424 356 G N 2.577 111.377 108.800 -0.001 0.000 2.580 356 G HA2 0.360 4.321 3.960 0.001 0.000 0.278 356 G HA3 0.360 4.321 3.960 0.001 0.000 0.278 356 G C -0.215 174.690 174.900 0.008 0.000 1.212 356 G CA -0.624 44.477 45.100 0.003 0.000 0.939 356 G HN 0.710 nan 8.290 nan 0.000 0.513 357 K N -0.314 120.091 120.400 0.008 0.000 2.472 357 K HA 0.294 4.614 4.320 0.001 0.000 0.280 357 K C 1.322 177.940 176.600 0.030 0.000 1.028 357 K CA 1.092 57.386 56.287 0.011 0.000 1.045 357 K CB -0.125 32.380 32.500 0.009 0.000 0.902 357 K HN 1.148 nan 8.250 nan 0.000 0.478 358 G N 2.350 111.176 108.800 0.044 0.000 2.205 358 G HA2 -0.265 3.695 3.960 0.001 0.000 0.261 358 G HA3 -0.265 3.695 3.960 0.001 0.000 0.261 358 G C 0.023 175.000 174.900 0.129 0.000 0.980 358 G CA 0.374 45.533 45.100 0.098 0.000 0.632 358 G HN 0.630 nan 8.290 nan 0.000 0.533 359 S N 0.806 116.559 115.700 0.089 0.000 2.585 359 S HA 0.520 4.990 4.470 0.001 0.000 0.273 359 S C 0.358 175.028 174.600 0.117 0.000 1.339 359 S CA 0.524 58.769 58.200 0.074 0.000 1.028 359 S CB 1.024 64.245 63.200 0.035 0.000 0.906 359 S HN 0.783 nan 8.310 nan 0.000 0.528 360 K N -0.192 120.249 120.400 0.067 0.000 2.378 360 K HA 0.663 4.984 4.320 0.001 0.000 0.252 360 K C -1.765 174.843 176.600 0.014 0.000 0.931 360 K CA -0.886 55.436 56.287 0.059 0.000 0.794 360 K CB 1.510 33.996 32.500 -0.023 0.000 1.181 360 K HN 0.280 nan 8.250 nan 0.000 0.425 361 V N 3.011 122.934 119.914 0.016 0.000 2.454 361 V HA 0.153 4.273 4.120 0.001 0.000 0.267 361 V C -0.503 175.584 176.094 -0.012 0.000 0.993 361 V CA -0.809 61.495 62.300 0.006 0.000 0.836 361 V CB 0.577 32.401 31.823 0.002 0.000 1.055 361 V HN 0.845 nan 8.190 nan 0.000 0.452 362 N N 1.993 120.664 118.700 -0.048 0.000 2.254 362 N HA 0.176 4.916 4.740 0.001 0.000 0.190 362 N C 0.123 175.367 175.510 -0.444 0.000 1.107 362 N CA 0.333 53.209 53.050 -0.290 0.000 0.869 362 N CB 0.365 38.564 38.487 -0.480 0.000 0.983 362 N HN 0.831 nan 8.380 nan 0.000 0.487 363 H N -1.078 118.010 119.070 0.031 0.000 3.087 363 H HA 0.201 4.758 4.556 0.000 0.000 0.348 363 H C -0.122 175.267 175.328 0.102 0.000 1.092 363 H CA -0.851 55.241 56.048 0.074 0.000 1.285 363 H CB 1.499 31.313 29.762 0.087 0.000 1.875 363 H HN -0.233 nan 8.280 nan 0.000 0.512 364 L N 1.088 122.492 121.223 0.302 0.000 3.597 364 L HA -0.197 4.143 4.340 0.001 0.000 0.440 364 L C -0.684 176.282 176.870 0.160 0.000 1.277 364 L CA 0.754 55.736 54.840 0.235 0.000 0.852 364 L CB -1.529 40.641 42.059 0.185 0.000 1.708 364 L HN 0.782 nan 8.230 nan 0.000 0.885 365 T N -1.154 113.497 114.554 0.162 0.000 2.893 365 T HA 0.534 4.885 4.350 0.001 0.000 0.293 365 T C -1.235 173.571 174.700 0.177 0.000 1.027 365 T CA -0.527 61.652 62.100 0.131 0.000 0.988 365 T CB 2.109 71.031 68.868 0.090 0.000 1.043 365 T HN 0.106 nan 8.240 nan 0.000 0.461 366 Y N 2.993 123.311 120.300 0.030 0.000 2.328 366 Y HA 0.658 5.209 4.550 0.000 0.000 0.336 366 Y C -1.345 174.563 175.900 0.012 0.000 0.960 366 Y CA -1.095 57.018 58.100 0.022 0.000 1.134 366 Y CB 0.899 39.368 38.460 0.014 0.000 1.166 366 Y HN 0.364 nan 8.280 nan 0.000 0.464 367 V N 6.313 125.866 119.914 -0.601 0.000 2.407 367 V HA 0.762 4.882 4.120 0.001 0.000 0.291 367 V C 0.102 175.702 176.094 -0.823 0.000 1.018 367 V CA -0.365 61.580 62.300 -0.591 0.000 0.842 367 V CB 1.281 32.954 31.823 -0.250 0.000 0.996 367 V HN 0.993 nan 8.190 nan 0.000 0.426 368 G N 1.839 110.134 108.800 -0.842 0.000 2.542 368 G HA2 0.599 4.559 3.960 0.001 0.000 0.311 368 G HA3 0.599 4.559 3.960 0.001 0.000 0.311 368 G C -0.523 174.279 174.900 -0.163 0.000 1.298 368 G CA -0.477 44.355 45.100 -0.446 0.000 0.973 368 G HN 0.668 nan 8.290 nan 0.000 0.487 369 D N -0.050 120.311 120.400 -0.066 0.000 2.686 369 D HA -0.152 4.488 4.640 0.001 0.000 0.235 369 D C 0.292 176.580 176.300 -0.021 0.000 1.160 369 D CA 1.629 55.618 54.000 -0.018 0.000 0.645 369 D CB -0.993 39.815 40.800 0.014 0.000 1.039 369 D HN 0.316 nan 8.370 nan 0.000 0.423 370 S N -0.056 115.616 115.700 -0.045 0.000 2.599 370 S HA 0.521 4.991 4.470 0.001 0.000 0.294 370 S C -0.087 174.497 174.600 -0.026 0.000 1.094 370 S CA -0.908 57.269 58.200 -0.039 0.000 0.931 370 S CB 2.748 65.905 63.200 -0.073 0.000 1.093 370 S HN 0.101 nan 8.310 nan 0.000 0.488 371 E N 1.322 121.513 120.200 -0.015 0.000 2.165 371 E HA 0.507 4.857 4.350 0.001 0.000 0.266 371 E C -1.128 175.464 176.600 -0.012 0.000 0.889 371 E CA -0.324 56.070 56.400 -0.011 0.000 0.756 371 E CB 1.621 31.321 29.700 -0.001 0.000 1.131 371 E HN 0.418 nan 8.360 nan 0.000 0.411 372 I N 2.076 122.638 120.570 -0.014 0.000 2.465 372 I HA 0.357 4.527 4.170 0.001 0.000 0.291 372 I C 0.784 176.899 176.117 -0.003 0.000 1.014 372 I CA -0.681 60.612 61.300 -0.011 0.000 1.093 372 I CB 1.892 39.881 38.000 -0.019 0.000 1.267 372 I HN 0.574 nan 8.210 nan 0.000 0.431 373 G N 3.266 112.068 108.800 0.003 0.000 2.504 373 G HA2 0.366 4.326 3.960 0.001 0.000 0.257 373 G HA3 0.366 4.326 3.960 0.001 0.000 0.257 373 G C -0.183 174.725 174.900 0.012 0.000 1.451 373 G CA -0.369 44.736 45.100 0.008 0.000 1.059 373 G HN 0.646 nan 8.290 nan 0.000 0.550 374 S N -0.744 114.966 115.700 0.016 0.000 2.586 374 S HA 0.280 4.750 4.470 0.001 0.000 0.274 374 S C 0.322 174.939 174.600 0.029 0.000 1.281 374 S CA -0.325 57.888 58.200 0.021 0.000 1.035 374 S CB 1.167 64.379 63.200 0.019 0.000 0.962 374 S HN 0.635 nan 8.310 nan 0.000 0.512 375 N N -0.641 118.081 118.700 0.037 0.000 2.735 375 N HA -0.148 4.593 4.740 0.001 0.000 0.248 375 N C -0.594 174.944 175.510 0.046 0.000 1.083 375 N CA 0.750 53.827 53.050 0.044 0.000 0.703 375 N CB -2.256 36.255 38.487 0.041 0.000 1.005 375 N HN 0.660 nan 8.380 nan 0.000 0.550 376 C N 0.666 119.988 119.300 0.037 0.000 2.443 376 C HA 0.408 4.869 4.460 0.001 0.000 0.369 376 C C 1.158 176.156 174.990 0.013 0.000 1.241 376 C CA -0.722 58.314 59.018 0.029 0.000 2.413 376 C CB 1.301 29.047 27.740 0.011 0.000 2.451 376 C HN 0.378 nan 8.230 nan 0.000 0.595 377 N N 1.962 120.651 118.700 -0.018 0.000 2.573 377 N HA 0.353 5.094 4.740 0.001 0.000 0.262 377 N C -1.270 174.111 175.510 -0.215 0.000 1.029 377 N CA -0.338 52.660 53.050 -0.087 0.000 0.882 377 N CB 0.374 38.839 38.487 -0.037 0.000 1.204 377 N HN 0.441 nan 8.380 nan 0.000 0.519 378 I N 2.386 122.875 120.570 -0.136 0.000 2.291 378 I HA 0.322 4.492 4.170 0.001 0.000 0.290 378 I C 1.484 177.533 176.117 -0.114 0.000 1.050 378 I CA -0.693 60.526 61.300 -0.133 0.000 1.245 378 I CB 0.222 38.183 38.000 -0.066 0.000 1.405 378 I HN 0.374 nan 8.210 nan 0.000 0.478 379 G N 4.576 113.260 108.800 -0.193 0.000 2.636 379 G HA2 0.401 4.361 3.960 0.001 0.000 0.246 379 G HA3 0.401 4.361 3.960 0.001 0.000 0.246 379 G C 0.245 175.124 174.900 -0.034 0.000 1.216 379 G CA -0.396 44.618 45.100 -0.143 0.000 0.854 379 G HN 0.806 nan 8.290 nan 0.000 0.572 380 A N -0.641 122.149 122.820 -0.049 0.000 2.540 380 A HA 0.502 4.822 4.320 0.001 0.000 0.239 380 A C 1.683 179.250 177.584 -0.029 0.000 1.061 380 A CA 1.285 53.286 52.037 -0.060 0.000 0.758 380 A CB -0.405 18.383 19.000 -0.353 0.000 0.991 380 A HN 2.628 nan 8.150 nan 0.000 0.502 381 G N 0.960 109.774 108.800 0.024 0.000 2.179 381 G HA2 -0.174 3.786 3.960 0.001 0.000 0.260 381 G HA3 -0.174 3.786 3.960 0.001 0.000 0.260 381 G C 0.288 175.200 174.900 0.020 0.000 0.977 381 G CA 0.129 45.242 45.100 0.021 0.000 0.641 381 G HN 1.396 nan 8.290 nan 0.000 0.533 382 V N 1.110 121.033 119.914 0.014 0.000 2.637 382 V HA 0.517 4.637 4.120 0.001 0.000 0.296 382 V C 0.791 176.903 176.094 0.031 0.000 1.046 382 V CA 0.479 62.781 62.300 0.003 0.000 1.066 382 V CB 1.376 33.184 31.823 -0.025 0.000 0.968 382 V HN 0.325 nan 8.190 nan 0.000 0.483 383 I N 3.594 124.183 120.570 0.031 0.000 2.534 383 I HA 0.309 4.479 4.170 0.001 0.000 0.288 383 I C 0.088 176.230 176.117 0.043 0.000 1.077 383 I CA -0.460 60.886 61.300 0.076 0.000 1.051 383 I CB 2.501 40.559 38.000 0.096 0.000 1.234 383 I HN 0.689 nan 8.210 nan 0.000 0.425 384 T N 2.568 117.135 114.554 0.023 0.000 2.817 384 T HA 0.596 4.946 4.350 0.001 0.000 0.293 384 T C -0.083 174.673 174.700 0.094 0.000 0.964 384 T CA -0.559 61.540 62.100 -0.001 0.000 1.085 384 T CB 0.891 69.700 68.868 -0.099 0.000 0.921 384 T HN 0.773 nan 8.240 nan 0.000 0.502 385 C N 2.035 121.357 119.300 0.037 0.000 3.318 385 C HA 0.791 5.251 4.460 0.001 0.000 0.329 385 C C -0.760 174.212 174.990 -0.030 0.000 1.449 385 C CA -1.115 57.921 59.018 0.030 0.000 1.397 385 C CB 1.114 28.850 27.740 -0.007 0.000 1.810 385 C HN 0.934 nan 8.230 nan 0.000 0.449 386 N N -0.995 117.679 118.700 -0.043 0.000 2.381 386 N HA 0.490 5.231 4.740 0.001 0.000 0.294 386 N C -1.484 173.963 175.510 -0.105 0.000 1.216 386 N CA -0.222 52.804 53.050 -0.040 0.000 0.803 386 N CB 1.479 39.981 38.487 0.025 0.000 1.372 386 N HN 0.767 nan 8.380 nan 0.000 0.500 387 Y N 0.086 120.441 120.300 0.092 0.000 2.357 387 Y HA -0.032 4.518 4.550 0.001 0.000 0.340 387 Y C 1.064 176.995 175.900 0.051 0.000 1.260 387 Y CA 0.006 58.150 58.100 0.073 0.000 1.425 387 Y CB 0.369 38.885 38.460 0.094 0.000 1.326 387 Y HN 0.431 nan 8.280 nan 0.000 0.580 388 D N 1.045 121.571 120.400 0.211 0.000 2.441 388 D HA 0.285 4.925 4.640 0.001 0.000 0.243 388 D C 0.118 176.489 176.300 0.118 0.000 1.257 388 D CA 0.442 54.513 54.000 0.118 0.000 1.027 388 D CB -0.410 40.442 40.800 0.086 0.000 1.084 388 D HN 0.690 nan 8.370 nan 0.000 0.514 389 G N 1.363 110.226 108.800 0.104 0.000 3.137 389 G HA2 0.611 4.571 3.960 0.001 0.000 0.196 389 G HA3 0.611 4.571 3.960 0.001 0.000 0.196 389 G C 0.040 174.966 174.900 0.044 0.000 1.135 389 G CA 0.106 45.264 45.100 0.097 0.000 0.803 389 G HN 0.486 nan 8.290 nan 0.000 0.619 390 A N -0.337 122.504 122.820 0.034 0.000 3.280 390 A HA 0.522 4.842 4.320 0.001 0.000 0.203 390 A C 0.897 178.405 177.584 -0.128 0.000 2.143 390 A CA 0.195 52.220 52.037 -0.020 0.000 1.168 390 A CB -0.770 18.238 19.000 0.013 0.000 1.267 390 A HN 0.466 nan 8.150 nan 0.000 0.436 391 N N 0.727 119.287 118.700 -0.233 0.000 2.354 391 N HA 0.256 4.996 4.740 0.001 0.000 0.246 391 N C -0.672 174.370 175.510 -0.780 0.000 1.285 391 N CA 0.217 53.022 53.050 -0.408 0.000 0.925 391 N CB 0.188 38.473 38.487 -0.338 0.000 1.174 391 N HN 0.303 nan 8.380 nan 0.000 0.478 392 K N 1.116 121.174 120.400 -0.570 0.000 2.264 392 K HA 0.303 4.623 4.320 0.001 0.000 0.277 392 K C -0.481 175.898 176.600 -0.369 0.000 1.067 392 K CA -0.172 55.862 56.287 -0.421 0.000 0.900 392 K CB 0.569 32.974 32.500 -0.158 0.000 1.124 392 K HN 0.356 nan 8.250 nan 0.000 0.469 393 F N 1.466 121.447 119.950 0.052 0.000 2.364 393 F HA 0.364 4.892 4.527 0.001 0.000 0.316 393 F C 0.908 176.726 175.800 0.031 0.000 1.133 393 F CA -0.915 57.112 58.000 0.045 0.000 1.051 393 F CB 0.867 39.905 39.000 0.064 0.000 1.342 393 F HN 0.097 nan 8.300 nan 0.000 0.507 394 K N 0.267 120.820 120.400 0.255 0.000 2.138 394 K HA 0.414 4.734 4.320 0.001 0.000 0.263 394 K C -1.028 175.625 176.600 0.087 0.000 0.965 394 K CA -0.661 55.699 56.287 0.123 0.000 0.868 394 K CB 1.756 34.313 32.500 0.095 0.000 1.083 394 K HN 0.494 nan 8.250 nan 0.000 0.443 395 T N 3.437 118.017 114.554 0.043 0.000 2.758 395 T HA 0.384 4.734 4.350 0.001 0.000 0.285 395 T C -0.209 174.498 174.700 0.010 0.000 0.981 395 T CA -0.611 61.502 62.100 0.022 0.000 0.965 395 T CB 0.426 69.293 68.868 -0.002 0.000 0.927 395 T HN 0.253 nan 8.240 nan 0.000 0.448 396 I N 4.885 125.463 120.570 0.013 0.000 2.355 396 I HA 0.461 4.632 4.170 0.001 0.000 0.288 396 I C -0.125 175.996 176.117 0.006 0.000 0.999 396 I CA -0.788 60.517 61.300 0.009 0.000 1.163 396 I CB 1.066 39.073 38.000 0.012 0.000 1.316 396 I HN 0.578 nan 8.210 nan 0.000 0.454 397 I N 4.836 125.407 120.570 0.002 0.000 2.433 397 I HA 0.503 4.673 4.170 0.001 0.000 0.292 397 I C 0.971 177.092 176.117 0.007 0.000 1.001 397 I CA -0.408 60.894 61.300 0.004 0.000 1.119 397 I CB 2.197 40.194 38.000 -0.004 0.000 1.289 397 I HN 0.639 nan 8.210 nan 0.000 0.438 398 G N 4.277 113.085 108.800 0.013 0.000 2.504 398 G HA2 0.190 4.150 3.960 0.001 0.000 0.257 398 G HA3 0.190 4.150 3.960 0.001 0.000 0.257 398 G C -0.492 174.418 174.900 0.017 0.000 1.451 398 G CA -0.363 44.745 45.100 0.014 0.000 1.059 398 G HN 0.519 nan 8.290 nan 0.000 0.550 399 D N 0.267 120.678 120.400 0.019 0.000 2.283 399 D HA 0.249 4.889 4.640 0.001 0.000 0.248 399 D C -0.084 176.235 176.300 0.031 0.000 1.072 399 D CA -0.034 53.979 54.000 0.023 0.000 0.929 399 D CB 0.942 41.754 40.800 0.020 0.000 1.182 399 D HN 0.421 nan 8.370 nan 0.000 0.433 400 D N -0.284 120.139 120.400 0.038 0.000 2.772 400 D HA -0.145 4.496 4.640 0.001 0.000 0.233 400 D C -0.555 175.786 176.300 0.069 0.000 1.143 400 D CA 0.439 54.470 54.000 0.051 0.000 0.700 400 D CB -1.037 39.788 40.800 0.041 0.000 1.076 400 D HN 0.046 nan 8.370 nan 0.000 0.430 401 V N 0.787 120.742 119.914 0.069 0.000 2.481 401 V HA 0.441 4.561 4.120 0.001 0.000 0.286 401 V C 0.205 176.377 176.094 0.130 0.000 1.042 401 V CA -0.686 61.667 62.300 0.088 0.000 0.928 401 V CB 1.575 33.428 31.823 0.051 0.000 0.986 401 V HN 0.149 nan 8.190 nan 0.000 0.462 402 F N 5.189 125.144 119.950 0.009 0.000 2.411 402 F HA 0.653 5.180 4.527 0.000 0.000 0.352 402 F C -0.299 175.507 175.800 0.010 0.000 1.123 402 F CA -0.462 57.544 58.000 0.010 0.000 1.044 402 F CB 1.332 40.337 39.000 0.008 0.000 1.135 402 F HN 0.252 nan 8.300 nan 0.000 0.461 403 V N 6.615 126.313 119.914 -0.361 0.000 2.334 403 V HA 0.472 4.593 4.120 0.001 0.000 0.281 403 V C 0.691 176.534 176.094 -0.417 0.000 1.016 403 V CA -0.731 61.430 62.300 -0.232 0.000 0.832 403 V CB 0.812 32.553 31.823 -0.135 0.000 0.999 403 V HN 0.961 nan 8.190 nan 0.000 0.439 404 G N 3.242 111.943 108.800 -0.165 0.000 2.594 404 G HA2 0.307 4.267 3.960 0.001 0.000 0.243 404 G HA3 0.307 4.267 3.960 0.001 0.000 0.243 404 G C 0.280 175.132 174.900 -0.079 0.000 1.229 404 G CA -0.245 44.816 45.100 -0.066 0.000 0.843 404 G HN 0.664 nan 8.290 nan 0.000 0.578 405 S N -0.244 115.423 115.700 -0.055 0.000 2.558 405 S HA 0.119 4.589 4.470 0.001 0.000 0.288 405 S C 0.740 175.325 174.600 -0.025 0.000 1.318 405 S CA 0.765 58.933 58.200 -0.052 0.000 1.056 405 S CB 0.559 63.731 63.200 -0.047 0.000 0.853 405 S HN 0.853 nan 8.310 nan 0.000 0.505 406 D N 0.472 120.857 120.400 -0.025 0.000 2.800 406 D HA -0.147 4.493 4.640 0.001 0.000 0.232 406 D C -0.490 175.806 176.300 -0.007 0.000 1.137 406 D CA 1.003 54.996 54.000 -0.012 0.000 0.718 406 D CB -1.231 39.563 40.800 -0.011 0.000 1.084 406 D HN 0.471 nan 8.370 nan 0.000 0.432 407 T N 0.860 115.408 114.554 -0.010 0.000 2.837 407 T HA 0.501 4.852 4.350 0.001 0.000 0.285 407 T C 0.101 174.797 174.700 -0.007 0.000 0.984 407 T CA -0.587 61.510 62.100 -0.006 0.000 1.049 407 T CB 1.306 70.169 68.868 -0.009 0.000 0.947 407 T HN 0.015 nan 8.240 nan 0.000 0.472 408 Q N 2.412 122.208 119.800 -0.007 0.000 2.278 408 Q HA 0.555 4.896 4.340 0.001 0.000 0.257 408 Q C -0.786 175.204 176.000 -0.017 0.000 0.928 408 Q CA -0.299 55.497 55.803 -0.011 0.000 0.932 408 Q CB 1.182 29.908 28.738 -0.019 0.000 1.221 408 Q HN 0.516 nan 8.270 nan 0.000 0.434 409 L N 2.441 123.653 121.223 -0.019 0.000 2.265 409 L HA 0.478 4.818 4.340 0.001 0.000 0.289 409 L C -0.766 176.082 176.870 -0.037 0.000 1.033 409 L CA -1.024 53.804 54.840 -0.021 0.000 0.814 409 L CB 1.056 43.105 42.059 -0.018 0.000 1.203 409 L HN 0.366 nan 8.230 nan 0.000 0.423 410 V N 3.409 123.289 119.914 -0.056 0.000 2.304 410 V HA 0.424 4.544 4.120 0.001 0.000 0.269 410 V C 0.773 176.837 176.094 -0.051 0.000 1.036 410 V CA -0.587 61.630 62.300 -0.138 0.000 0.840 410 V CB 1.012 32.668 31.823 -0.278 0.000 1.036 410 V HN 0.859 nan 8.190 nan 0.000 0.466 411 A N 8.490 131.314 122.820 0.006 0.000 2.425 411 A HA 0.604 4.925 4.320 0.001 0.000 0.242 411 A C -2.080 175.660 177.584 0.261 0.000 1.077 411 A CA -1.002 51.108 52.037 0.123 0.000 0.781 411 A CB -0.003 19.087 19.000 0.151 0.000 1.020 411 A HN 0.622 nan 8.150 nan 0.000 0.494 412 P HA 0.434 nan 4.420 nan 0.000 0.285 412 P C -0.802 176.545 177.300 0.079 0.000 1.259 412 P CA -0.042 63.128 63.100 0.117 0.000 0.794 412 P CB 1.427 33.111 31.700 -0.027 0.000 0.940 413 V N 3.428 123.376 119.914 0.057 0.000 3.147 413 V HA 0.439 4.560 4.120 0.001 0.000 0.299 413 V C -1.539 174.571 176.094 0.027 0.000 1.302 413 V CA -0.816 61.508 62.300 0.041 0.000 1.015 413 V CB 2.704 34.553 31.823 0.044 0.000 1.086 413 V HN 0.466 nan 8.190 nan 0.000 0.437 414 K N 3.970 124.382 120.400 0.021 0.000 2.397 414 K HA 0.773 5.093 4.320 0.001 0.000 0.253 414 K C -1.660 174.950 176.600 0.017 0.000 0.932 414 K CA -0.750 55.547 56.287 0.016 0.000 0.795 414 K CB 2.528 35.035 32.500 0.012 0.000 1.159 414 K HN 0.417 nan 8.250 nan 0.000 0.424 415 V N 2.302 122.225 119.914 0.016 0.000 2.378 415 V HA 0.399 4.519 4.120 0.001 0.000 0.288 415 V C 0.075 176.180 176.094 0.019 0.000 1.016 415 V CA -0.811 61.500 62.300 0.019 0.000 0.840 415 V CB 1.199 33.034 31.823 0.020 0.000 0.994 415 V HN 0.967 nan 8.190 nan 0.000 0.431 416 A N 4.621 127.452 122.820 0.019 0.000 2.259 416 A HA 0.524 4.844 4.320 0.001 0.000 0.278 416 A C 0.440 178.037 177.584 0.022 0.000 1.107 416 A CA -0.555 51.492 52.037 0.018 0.000 0.828 416 A CB 0.100 19.109 19.000 0.015 0.000 1.111 416 A HN 0.778 nan 8.150 nan 0.000 0.498 417 N N 0.021 118.733 118.700 0.019 0.000 2.357 417 N HA 0.288 5.028 4.740 0.001 0.000 0.257 417 N C 1.105 176.630 175.510 0.026 0.000 1.250 417 N CA 1.659 54.722 53.050 0.022 0.000 0.862 417 N CB 0.458 38.955 38.487 0.018 0.000 1.066 417 N HN 1.341 nan 8.380 nan 0.000 0.468 418 G N -0.337 108.484 108.800 0.034 0.000 2.179 418 G HA2 -0.243 3.718 3.960 0.001 0.000 0.260 418 G HA3 -0.243 3.718 3.960 0.001 0.000 0.260 418 G C 0.336 175.261 174.900 0.042 0.000 0.977 418 G CA 0.347 45.469 45.100 0.036 0.000 0.641 418 G HN 0.939 nan 8.290 nan 0.000 0.533 419 A N -0.252 122.597 122.820 0.047 0.000 2.425 419 A HA 0.660 4.980 4.320 0.001 0.000 0.242 419 A C 0.612 178.249 177.584 0.087 0.000 1.077 419 A CA 1.358 53.428 52.037 0.054 0.000 0.781 419 A CB 0.444 19.473 19.000 0.048 0.000 1.020 419 A HN 0.895 nan 8.150 nan 0.000 0.494 420 T N 1.885 116.491 114.554 0.087 0.000 2.841 420 T HA 0.573 4.923 4.350 0.001 0.000 0.285 420 T C -0.526 174.258 174.700 0.140 0.000 0.991 420 T CA 0.031 62.214 62.100 0.138 0.000 0.966 420 T CB 0.706 69.598 68.868 0.041 0.000 0.962 420 T HN 0.439 nan 8.240 nan 0.000 0.438 421 I N 2.178 122.881 120.570 0.222 0.000 2.436 421 I HA 0.511 4.682 4.170 0.001 0.000 0.289 421 I C 1.038 177.278 176.117 0.205 0.000 1.010 421 I CA -0.844 60.548 61.300 0.154 0.000 1.098 421 I CB 1.769 39.826 38.000 0.095 0.000 1.266 421 I HN 0.736 nan 8.210 nan 0.000 0.434 422 G N 3.893 112.773 108.800 0.133 0.000 2.606 422 G HA2 0.486 4.447 3.960 0.001 0.000 0.252 422 G HA3 0.486 4.447 3.960 0.001 0.000 0.252 422 G C 0.070 175.037 174.900 0.111 0.000 1.206 422 G CA -0.376 44.802 45.100 0.130 0.000 0.861 422 G HN 0.789 nan 8.290 nan 0.000 0.561 423 A N -0.608 122.277 122.820 0.108 0.000 2.483 423 A HA 0.547 4.867 4.320 0.001 0.000 0.238 423 A C 1.574 179.180 177.584 0.038 0.000 1.070 423 A CA 1.008 53.083 52.037 0.065 0.000 0.770 423 A CB -0.211 18.826 19.000 0.062 0.000 1.008 423 A HN 2.608 nan 8.150 nan 0.000 0.497 424 G N 1.522 110.335 108.800 0.021 0.000 2.147 424 G HA2 -0.181 3.779 3.960 0.001 0.000 0.244 424 G HA3 -0.181 3.779 3.960 0.001 0.000 0.244 424 G C 0.333 175.241 174.900 0.013 0.000 1.005 424 G CA 0.529 45.636 45.100 0.012 0.000 0.713 424 G HN 1.140 nan 8.290 nan 0.000 0.515 425 T N 1.017 115.581 114.554 0.017 0.000 2.909 425 T HA 0.570 4.920 4.350 0.001 0.000 0.286 425 T C 0.385 175.091 174.700 0.010 0.000 1.002 425 T CA 0.409 62.520 62.100 0.018 0.000 1.074 425 T CB 1.415 70.300 68.868 0.028 0.000 0.984 425 T HN 0.175 nan 8.240 nan 0.000 0.495 426 T N 4.201 118.761 114.554 0.010 0.000 2.770 426 T HA 0.401 4.752 4.350 0.001 0.000 0.297 426 T C -0.116 174.591 174.700 0.011 0.000 0.997 426 T CA -0.566 61.537 62.100 0.004 0.000 0.949 426 T CB 0.091 68.962 68.868 0.004 0.000 0.941 426 T HN 0.307 nan 8.240 nan 0.000 0.457 427 I N 4.813 125.387 120.570 0.007 0.000 2.307 427 I HA 0.237 4.407 4.170 0.001 0.000 0.289 427 I C 1.536 177.665 176.117 0.019 0.000 1.021 427 I CA -0.228 61.081 61.300 0.016 0.000 1.224 427 I CB 0.911 38.920 38.000 0.015 0.000 1.376 427 I HN 0.745 nan 8.210 nan 0.000 0.470 428 T N 3.412 117.993 114.554 0.045 0.000 2.964 428 T HA 0.278 4.628 4.350 0.001 0.000 0.249 428 T C 0.916 175.670 174.700 0.090 0.000 1.000 428 T CA -0.188 61.964 62.100 0.088 0.000 0.992 428 T CB 0.560 69.511 68.868 0.139 0.000 1.087 428 T HN 0.374 nan 8.240 nan 0.000 0.489 429 R N 1.945 122.481 120.500 0.059 0.000 2.604 429 R HA 0.470 4.810 4.340 0.001 0.000 0.287 429 R C -1.150 175.170 176.300 0.033 0.000 0.970 429 R CA -0.849 55.277 56.100 0.044 0.000 0.946 429 R CB 0.763 31.083 30.300 0.034 0.000 1.127 429 R HN 0.231 nan 8.270 nan 0.000 0.473 430 D N 1.201 121.616 120.400 0.026 0.000 2.472 430 D HA 0.036 4.676 4.640 0.001 0.000 0.237 430 D C -0.256 176.056 176.300 0.020 0.000 1.141 430 D CA 0.384 54.396 54.000 0.021 0.000 0.875 430 D CB 0.769 41.577 40.800 0.014 0.000 1.192 430 D HN 0.029 nan 8.370 nan 0.000 0.450 431 V N 1.847 121.774 119.914 0.021 0.000 2.435 431 V HA 0.565 4.685 4.120 0.001 0.000 0.290 431 V C 1.076 177.181 176.094 0.019 0.000 1.030 431 V CA -0.793 61.520 62.300 0.022 0.000 0.881 431 V CB 1.618 33.457 31.823 0.026 0.000 0.983 431 V HN 0.584 nan 8.190 nan 0.000 0.445 432 G N 2.490 111.301 108.800 0.017 0.000 2.580 432 G HA2 0.388 4.348 3.960 0.001 0.000 0.278 432 G HA3 0.388 4.348 3.960 0.001 0.000 0.278 432 G C -0.208 174.701 174.900 0.016 0.000 1.212 432 G CA -0.445 44.664 45.100 0.014 0.000 0.939 432 G HN 0.780 nan 8.290 nan 0.000 0.513 433 E N 0.208 120.416 120.200 0.014 0.000 2.415 433 E HA -0.016 4.334 4.350 0.001 0.000 0.263 433 E C 0.088 176.697 176.600 0.014 0.000 0.995 433 E CA -0.097 56.311 56.400 0.014 0.000 0.915 433 E CB 0.097 29.804 29.700 0.012 0.000 0.951 433 E HN 0.452 nan 8.360 nan 0.000 0.449 434 N N 2.442 121.152 118.700 0.017 0.000 2.725 434 N HA -0.246 4.495 4.740 0.001 0.000 0.249 434 N C -0.946 174.573 175.510 0.014 0.000 1.103 434 N CA 1.272 54.331 53.050 0.014 0.000 0.707 434 N CB -1.086 37.406 38.487 0.009 0.000 1.043 434 N HN 0.685 nan 8.380 nan 0.000 0.553 435 E N 0.500 120.711 120.200 0.018 0.000 2.227 435 E HA 0.369 4.719 4.350 0.001 0.000 0.282 435 E C -0.391 176.223 176.600 0.023 0.000 1.015 435 E CA -0.523 55.887 56.400 0.018 0.000 0.823 435 E CB 0.882 30.593 29.700 0.019 0.000 1.081 435 E HN 0.225 nan 8.360 nan 0.000 0.396 436 L N 5.601 126.835 121.223 0.018 0.000 2.275 436 L HA 0.405 4.745 4.340 0.001 0.000 0.288 436 L C -1.268 175.616 176.870 0.024 0.000 1.046 436 L CA -0.753 54.099 54.840 0.020 0.000 0.805 436 L CB 1.299 43.361 42.059 0.005 0.000 1.193 436 L HN 0.409 nan 8.230 nan 0.000 0.426 437 V N 6.589 126.524 119.914 0.035 0.000 2.444 437 V HA 0.477 4.597 4.120 0.001 0.000 0.294 437 V C -0.139 175.977 176.094 0.038 0.000 1.022 437 V CA -0.416 61.904 62.300 0.033 0.000 0.850 437 V CB 1.798 33.642 31.823 0.036 0.000 0.992 437 V HN 0.577 nan 8.190 nan 0.000 0.426 438 I N 2.863 123.450 120.570 0.029 0.000 2.545 438 I HA 0.395 4.566 4.170 0.001 0.000 0.292 438 I C 0.340 176.472 176.117 0.024 0.000 1.040 438 I CA -0.249 61.068 61.300 0.029 0.000 1.068 438 I CB 2.513 40.526 38.000 0.021 0.000 1.251 438 I HN 0.487 nan 8.210 nan 0.000 0.424 439 T N 5.705 120.274 114.554 0.025 0.000 2.814 439 T HA 0.247 4.597 4.350 0.001 0.000 0.297 439 T C 0.263 174.973 174.700 0.017 0.000 0.956 439 T CA -0.404 61.708 62.100 0.020 0.000 1.123 439 T CB 0.155 69.034 68.868 0.019 0.000 0.902 439 T HN 0.316 nan 8.240 nan 0.000 0.528 440 R N 2.984 123.493 120.500 0.014 0.000 2.220 440 R HA 0.322 4.662 4.340 0.001 0.000 0.340 440 R C 0.090 176.396 176.300 0.010 0.000 1.076 440 R CA -0.329 55.779 56.100 0.012 0.000 0.920 440 R CB 0.521 30.828 30.300 0.011 0.000 1.062 440 R HN 0.533 nan 8.270 nan 0.000 0.469 441 V N -0.020 119.900 119.914 0.010 0.000 2.617 441 V HA 0.794 4.915 4.120 0.001 0.000 0.298 441 V C 0.119 176.215 176.094 0.004 0.000 1.048 441 V CA -1.029 61.273 62.300 0.004 0.000 0.964 441 V CB 1.703 33.527 31.823 0.002 0.000 1.004 441 V HN 0.706 nan 8.190 nan 0.000 0.466 442 A N 3.969 126.784 122.820 -0.008 0.000 2.318 442 A HA 0.786 5.106 4.320 0.001 0.000 0.324 442 A C -0.321 177.239 177.584 -0.040 0.000 1.170 442 A CA -0.688 51.343 52.037 -0.011 0.000 0.810 442 A CB 1.041 20.034 19.000 -0.012 0.000 1.198 442 A HN 0.957 nan 8.150 nan 0.000 0.484 443 Q N 1.117 120.885 119.800 -0.052 0.000 2.375 443 Q HA 0.457 4.797 4.340 0.001 0.000 0.271 443 Q C -0.817 175.068 176.000 -0.192 0.000 1.074 443 Q CA -0.984 54.721 55.803 -0.164 0.000 0.808 443 Q CB 2.582 31.169 28.738 -0.253 0.000 1.327 443 Q HN 0.633 nan 8.270 nan 0.000 0.441 444 R N 1.792 122.141 120.500 -0.251 0.000 2.294 444 R HA 0.339 4.680 4.340 0.001 0.000 0.319 444 R C -1.106 175.004 176.300 -0.317 0.000 0.984 444 R CA -0.289 55.696 56.100 -0.190 0.000 0.861 444 R CB 0.728 30.947 30.300 -0.136 0.000 1.104 444 R HN 0.669 nan 8.270 nan 0.000 0.451 445 H N 5.105 124.150 119.070 -0.042 0.000 2.551 445 H HA 0.376 4.932 4.556 0.000 0.000 0.321 445 H C -0.108 175.204 175.328 -0.027 0.000 1.028 445 H CA -0.523 55.504 56.048 -0.035 0.000 1.215 445 H CB 1.751 31.504 29.762 -0.016 0.000 1.414 445 H HN 0.385 nan 8.280 nan 0.000 0.480 446 I N 4.194 124.796 120.570 0.054 0.000 2.382 446 I HA 0.074 4.245 4.170 0.001 0.000 0.285 446 I C -0.067 176.120 176.117 0.116 0.000 1.007 446 I CA -0.829 60.503 61.300 0.054 0.000 1.142 446 I CB 1.359 39.340 38.000 -0.032 0.000 1.289 446 I HN 0.306 nan 8.210 nan 0.000 0.453 447 Q N 3.867 123.736 119.800 0.116 0.000 2.306 447 Q HA 0.308 4.648 4.340 0.001 0.000 0.241 447 Q C 1.069 177.154 176.000 0.143 0.000 0.948 447 Q CA 0.063 55.936 55.803 0.116 0.000 0.886 447 Q CB 1.137 29.921 28.738 0.077 0.000 1.227 447 Q HN 0.943 nan 8.270 nan 0.000 0.457 448 G N 1.118 109.997 108.800 0.132 0.000 2.198 448 G HA2 -0.226 3.734 3.960 0.001 0.000 0.260 448 G HA3 -0.226 3.734 3.960 0.001 0.000 0.260 448 G C -0.460 174.531 174.900 0.152 0.000 1.025 448 G CA 0.086 45.251 45.100 0.109 0.000 0.769 448 G HN 0.651 nan 8.290 nan 0.000 0.507 449 W N 1.230 122.538 121.300 0.013 0.000 2.481 449 W HA 0.598 5.259 4.660 0.001 0.000 0.320 449 W C 0.122 176.646 176.519 0.008 0.000 1.209 449 W CA -0.717 56.634 57.345 0.010 0.000 1.400 449 W CB 0.687 30.153 29.460 0.010 0.000 1.361 449 W HN 0.240 nan 8.180 nan 0.000 0.456 450 Q N 5.699 125.239 119.800 -0.432 0.000 2.294 450 Q HA 0.204 4.544 4.340 0.001 0.000 0.257 450 Q C -0.047 175.660 176.000 -0.488 0.000 0.955 450 Q CA 0.072 55.671 55.803 -0.340 0.000 0.936 450 Q CB 0.612 29.198 28.738 -0.254 0.000 1.188 450 Q HN 0.426 nan 8.270 nan 0.000 0.420 451 R N 4.235 124.599 120.500 -0.227 0.000 2.582 451 R HA 0.350 4.691 4.340 0.001 0.000 0.271 451 R C -1.903 174.328 176.300 -0.116 0.000 1.078 451 R CA -1.719 54.303 56.100 -0.129 0.000 1.127 451 R CB -0.313 29.994 30.300 0.012 0.000 1.038 451 R HN 0.573 nan 8.270 nan 0.000 0.500 452 P HA -0.121 nan 4.420 nan 0.000 0.263 452 P C -0.282 176.992 177.300 -0.043 0.000 1.168 452 P CA 0.405 63.468 63.100 -0.061 0.000 0.759 452 P CB 0.361 32.042 31.700 -0.032 0.000 0.782 453 I N 2.232 122.776 120.570 -0.043 0.000 3.502 453 I HA 0.634 4.805 4.170 0.001 0.000 0.302 453 I C 0.639 176.744 176.117 -0.020 0.000 1.170 453 I CA 0.529 61.811 61.300 -0.030 0.000 0.953 453 I CB 0.798 38.778 38.000 -0.032 0.000 1.475 453 I HN 0.476 nan 8.210 nan 0.000 0.657 454 K N 0.000 120.391 120.400 -0.016 0.000 2.780 454 K HA 0.000 4.320 4.320 0.001 0.000 0.191 454 K CA 0.000 nan 56.287 nan 0.000 0.838 454 K CB 0.000 nan 32.500 nan 0.000 1.064 454 K HN 0.000 nan 8.250 nan 0.000 0.543