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 3ddm_1_B DATA FIRST_RESID 8 DATA SEQUENCE ASITPARVRA HVFRYPVXXX XXXXXXXXHD RPAVLVEVED SDGAVGWGEV DATA SEQUENCE WCNFPACGAE HRARLVETVL APLLTARAFA DPAQAFAHLE ARTAVLAIQT DATA SEQUENCE GEPGPLAQAI AGLDIALCDL AARRAGQPLW AWLGGSGDRI GVYASGINPE DATA SEQUENCE NPEDVVARKA AEGYRAFKLK VGFDDARDVR NALHVRELLG AATPLMADAN DATA SEQUENCE QGWDLPRARQ MAQRLGPAQL DWLEEPLRAD RPAAEWAELA QAAPMPLAGG DATA SEQUENCE ENIAGVAAFE TALAARSLRV MQPDLAKWGG FSGCLPVARA VVAAGLRYCP DATA SEQUENCE HYLGAGIGLQ ASAHLLAAVP GLASPGLLGV DANDNPLRSL LSPALATLHE DATA SEQUENCE GRITLGGAPG LGVTPDLAAL RAAC 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.609 177.584 0.042 0.000 1.274 8 A CA 0.000 52.053 52.037 0.028 0.000 0.836 8 A CB 0.000 19.015 19.000 0.025 0.000 0.831 9 S N 2.145 117.866 115.700 0.036 0.000 2.580 9 S HA 0.611 5.080 4.470 -0.001 0.000 0.261 9 S C 0.287 174.925 174.600 0.064 0.000 1.366 9 S CA 0.048 58.280 58.200 0.053 0.000 0.996 9 S CB 0.231 63.449 63.200 0.030 0.000 0.902 9 S HN 0.758 nan 8.310 nan 0.000 0.566 10 I N 0.985 121.619 120.570 0.107 0.000 2.412 10 I HA 0.326 4.495 4.170 -0.001 0.000 0.296 10 I C -0.321 175.886 176.117 0.149 0.000 0.987 10 I CA -0.545 60.826 61.300 0.118 0.000 1.180 10 I CB 2.048 40.130 38.000 0.136 0.000 1.340 10 I HN 0.643 nan 8.210 nan 0.000 0.455 11 T N 5.544 120.156 114.554 0.096 0.000 3.226 11 T HA 0.288 4.637 4.350 -0.001 0.000 0.378 11 T C -2.500 172.246 174.700 0.076 0.000 1.380 11 T CA -1.203 60.947 62.100 0.083 0.000 1.396 11 T CB 0.770 69.650 68.868 0.020 0.000 1.044 11 T HN 0.248 nan 8.240 nan 0.000 0.586 12 P HA 0.188 nan 4.420 nan 0.000 0.264 12 P C 0.225 177.550 177.300 0.041 0.000 1.179 12 P CA 0.181 63.320 63.100 0.065 0.000 0.763 12 P CB 0.720 32.476 31.700 0.093 0.000 0.806 13 A N 3.582 126.406 122.820 0.007 0.000 1.977 13 A HA 0.218 4.537 4.320 -0.001 0.000 0.197 13 A C 0.710 178.288 177.584 -0.009 0.000 1.554 13 A CA 0.513 52.550 52.037 0.000 0.000 1.037 13 A CB 0.252 19.247 19.000 -0.008 0.000 1.083 13 A HN 0.477 nan 8.150 nan 0.000 0.471 14 R N -0.192 120.293 120.500 -0.026 0.000 2.564 14 R HA 0.589 4.928 4.340 -0.001 0.000 0.284 14 R C -2.329 173.937 176.300 -0.056 0.000 1.031 14 R CA -0.213 55.866 56.100 -0.035 0.000 0.904 14 R CB 2.142 32.420 30.300 -0.035 0.000 1.199 14 R HN 0.042 nan 8.270 nan 0.000 0.443 15 V N 4.625 124.507 119.914 -0.053 0.000 2.444 15 V HA 0.583 4.703 4.120 -0.001 0.000 0.294 15 V C -0.394 175.651 176.094 -0.082 0.000 1.022 15 V CA -0.734 61.523 62.300 -0.071 0.000 0.850 15 V CB 1.691 33.484 31.823 -0.051 0.000 0.992 15 V HN 0.731 nan 8.190 nan 0.000 0.426 16 R N 2.621 123.057 120.500 -0.106 0.000 2.744 16 R HA 0.863 5.203 4.340 -0.001 0.000 0.279 16 R C -0.919 175.255 176.300 -0.211 0.000 0.977 16 R CA -0.380 55.625 56.100 -0.158 0.000 0.906 16 R CB 2.173 32.392 30.300 -0.134 0.000 1.197 16 R HN 0.840 nan 8.270 nan 0.000 0.463 17 A N 2.445 125.074 122.820 -0.318 0.000 2.355 17 A HA 0.581 4.900 4.320 -0.001 0.000 0.317 17 A C -1.554 175.755 177.584 -0.459 0.000 1.094 17 A CA -0.612 51.281 52.037 -0.241 0.000 0.764 17 A CB 0.962 19.896 19.000 -0.110 0.000 1.230 17 A HN 0.862 nan 8.150 nan 0.000 0.448 18 H N 0.075 119.199 119.070 0.091 0.000 2.609 18 H HA 0.546 5.101 4.556 -0.001 0.000 0.344 18 H C -0.727 174.547 175.328 -0.089 0.000 1.040 18 H CA -0.598 55.448 56.048 -0.002 0.000 1.216 18 H CB 1.837 31.706 29.762 0.179 0.000 1.529 18 H HN 0.401 nan 8.280 nan 0.000 0.519 19 V N 4.177 123.951 119.914 -0.233 0.000 2.483 19 V HA 0.411 4.531 4.120 -0.001 0.000 0.295 19 V C -0.678 175.090 176.094 -0.543 0.000 1.035 19 V CA -0.569 61.608 62.300 -0.206 0.000 0.896 19 V CB 0.648 32.398 31.823 -0.121 0.000 0.986 19 V HN 0.564 nan 8.190 nan 0.000 0.447 20 F N 3.166 123.154 119.950 0.064 0.000 2.565 20 F HA 0.711 5.237 4.527 -0.001 0.000 0.313 20 F C 0.264 176.092 175.800 0.047 0.000 1.091 20 F CA -0.814 57.222 58.000 0.061 0.000 0.915 20 F CB 2.267 41.306 39.000 0.065 0.000 1.208 20 F HN 0.239 nan 8.300 nan 0.000 0.453 21 R N 2.305 122.935 120.500 0.216 0.000 2.521 21 R HA 0.200 4.539 4.340 -0.001 0.000 0.295 21 R C -1.898 174.493 176.300 0.151 0.000 1.183 21 R CA -0.827 55.355 56.100 0.136 0.000 0.957 21 R CB 1.864 32.195 30.300 0.051 0.000 1.171 21 R HN 0.647 nan 8.270 nan 0.000 0.494 22 Y N 5.566 125.901 120.300 0.059 0.000 2.452 22 Y HA 0.214 4.763 4.550 -0.001 0.000 0.348 22 Y C -2.008 173.907 175.900 0.024 0.000 0.985 22 Y CA -2.104 56.020 58.100 0.040 0.000 1.214 22 Y CB 0.877 39.349 38.460 0.020 0.000 1.136 22 Y HN 0.386 nan 8.280 nan 0.000 0.523 23 P HA 0.061 nan 4.420 nan 0.000 0.271 23 P C -0.673 176.479 177.300 -0.247 0.000 1.216 23 P CA 0.253 63.206 63.100 -0.245 0.000 0.771 23 P CB 1.905 33.471 31.700 -0.224 0.000 0.864 37 D N 0.799 121.278 120.400 0.132 0.000 2.661 37 D HA 0.342 4.981 4.640 -0.001 0.000 0.228 37 D C -0.710 175.615 176.300 0.040 0.000 1.210 37 D CA -0.868 53.171 54.000 0.065 0.000 0.826 37 D CB 2.497 43.319 40.800 0.037 0.000 1.542 37 D HN -0.086 nan 8.370 nan 0.000 0.447 38 R N 1.421 121.966 120.500 0.074 0.000 2.202 38 R HA 0.432 4.771 4.340 -0.001 0.000 0.334 38 R C -2.160 174.160 176.300 0.033 0.000 1.036 38 R CA -1.688 54.430 56.100 0.029 0.000 0.878 38 R CB 1.085 31.421 30.300 0.059 0.000 1.067 38 R HN 0.443 nan 8.270 nan 0.000 0.457 39 P HA 0.546 nan 4.420 nan 0.000 0.280 39 P C -1.242 176.060 177.300 0.003 0.000 1.272 39 P CA -0.645 62.444 63.100 -0.019 0.000 0.819 39 P CB 1.710 33.353 31.700 -0.096 0.000 1.122 40 A N 0.230 123.096 122.820 0.077 0.000 2.582 40 A HA 0.544 4.863 4.320 -0.001 0.000 0.297 40 A C -1.709 175.990 177.584 0.192 0.000 1.059 40 A CA -0.475 51.639 52.037 0.128 0.000 0.705 40 A CB 1.073 20.174 19.000 0.167 0.000 1.279 40 A HN 0.204 nan 8.150 nan 0.000 0.404 41 V N 3.027 123.046 119.914 0.175 0.000 2.419 41 V HA 0.432 4.551 4.120 -0.001 0.000 0.287 41 V C -0.498 175.734 176.094 0.230 0.000 1.017 41 V CA -0.193 62.218 62.300 0.185 0.000 0.844 41 V CB 1.103 32.993 31.823 0.111 0.000 1.011 41 V HN 0.737 nan 8.190 nan 0.000 0.429 42 L N 5.696 127.121 121.223 0.336 0.000 2.309 42 L HA 0.804 5.143 4.340 -0.001 0.000 0.282 42 L C -0.198 176.916 176.870 0.407 0.000 1.036 42 L CA -0.921 54.143 54.840 0.372 0.000 0.806 42 L CB 1.912 44.226 42.059 0.426 0.000 1.220 42 L HN 0.558 nan 8.230 nan 0.000 0.429 43 V N 0.023 120.138 119.914 0.335 0.000 2.680 43 V HA 0.710 4.829 4.120 -0.001 0.000 0.309 43 V C -0.713 175.446 176.094 0.110 0.000 1.052 43 V CA -0.638 61.782 62.300 0.201 0.000 0.908 43 V CB 1.794 33.663 31.823 0.075 0.000 1.001 43 V HN 0.909 nan 8.190 nan 0.000 0.431 44 E N 2.629 122.747 120.200 -0.137 0.000 2.241 44 E HA 0.715 5.064 4.350 -0.001 0.000 0.263 44 E C -1.653 174.724 176.600 -0.373 0.000 0.882 44 E CA -0.938 55.099 56.400 -0.605 0.000 0.769 44 E CB 2.317 31.229 29.700 -1.314 0.000 1.185 44 E HN 0.499 nan 8.360 nan 0.000 0.415 45 V N 3.059 122.770 119.914 -0.338 0.000 2.370 45 V HA 0.239 4.358 4.120 -0.001 0.000 0.283 45 V C -0.024 175.943 176.094 -0.211 0.000 1.023 45 V CA -0.628 61.547 62.300 -0.209 0.000 0.857 45 V CB 1.202 32.938 31.823 -0.144 0.000 0.985 45 V HN 0.794 nan 8.190 nan 0.000 0.443 46 E N 3.194 123.301 120.200 -0.155 0.000 2.174 46 E HA 0.223 4.573 4.350 -0.001 0.000 0.282 46 E C -0.609 175.947 176.600 -0.073 0.000 0.992 46 E CA -0.640 55.687 56.400 -0.122 0.000 0.803 46 E CB 1.131 30.774 29.700 -0.095 0.000 1.090 46 E HN 0.746 nan 8.360 nan 0.000 0.396 47 D N 1.430 121.791 120.400 -0.065 0.000 2.369 47 D HA -0.051 4.589 4.640 -0.001 0.000 0.241 47 D C 0.959 177.246 176.300 -0.022 0.000 1.271 47 D CA 0.285 54.263 54.000 -0.036 0.000 0.942 47 D CB 1.039 41.816 40.800 -0.037 0.000 1.129 47 D HN 0.426 nan 8.370 nan 0.000 0.476 48 S N -0.049 115.645 115.700 -0.009 0.000 2.489 48 S HA -0.071 4.398 4.470 -0.001 0.000 0.228 48 S C 0.814 175.407 174.600 -0.011 0.000 0.995 48 S CA 0.424 58.620 58.200 -0.007 0.000 0.934 48 S CB 0.131 63.330 63.200 -0.003 0.000 0.771 48 S HN 0.437 nan 8.310 nan 0.000 0.522 49 D N 0.905 121.297 120.400 -0.013 0.000 2.349 49 D HA 0.282 4.921 4.640 -0.001 0.000 0.214 49 D C 1.436 177.727 176.300 -0.015 0.000 1.063 49 D CA 0.783 54.776 54.000 -0.012 0.000 0.847 49 D CB 0.458 41.251 40.800 -0.011 0.000 0.933 49 D HN 0.582 nan 8.370 nan 0.000 0.513 50 G N 0.658 109.446 108.800 -0.020 0.000 2.179 50 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 50 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 50 G C 0.555 175.437 174.900 -0.030 0.000 0.990 50 G CA 0.039 45.126 45.100 -0.022 0.000 0.646 50 G HN 0.566 nan 8.290 nan 0.000 0.517 51 A N -0.180 122.618 122.820 -0.036 0.000 2.425 51 A HA 0.710 5.029 4.320 -0.001 0.000 0.249 51 A C 0.385 177.922 177.584 -0.078 0.000 1.084 51 A CA 0.433 52.443 52.037 -0.046 0.000 0.781 51 A CB 1.076 20.049 19.000 -0.045 0.000 1.019 51 A HN 1.156 nan 8.150 nan 0.000 0.490 52 V N 1.300 121.161 119.914 -0.089 0.000 2.628 52 V HA 0.742 4.861 4.120 -0.001 0.000 0.306 52 V C 0.703 176.674 176.094 -0.204 0.000 1.045 52 V CA 0.067 62.258 62.300 -0.181 0.000 0.905 52 V CB 1.951 33.661 31.823 -0.188 0.000 0.997 52 V HN 1.232 nan 8.190 nan 0.000 0.436 53 G N 2.262 110.868 108.800 -0.324 0.000 2.542 53 G HA2 0.643 4.602 3.960 -0.001 0.000 0.311 53 G HA3 0.643 4.602 3.960 -0.001 0.000 0.311 53 G C -1.969 172.719 174.900 -0.353 0.000 1.298 53 G CA -0.509 44.452 45.100 -0.232 0.000 0.973 53 G HN 0.561 nan 8.290 nan 0.000 0.487 54 W N 0.297 121.576 121.300 -0.036 0.000 2.706 54 W HA 0.741 5.400 4.660 -0.001 0.000 0.346 54 W C 0.425 176.939 176.519 -0.009 0.000 1.071 54 W CA -0.272 57.068 57.345 -0.008 0.000 1.206 54 W CB 2.897 32.354 29.460 -0.006 0.000 1.413 54 W HN 0.859 nan 8.180 nan 0.000 0.542 55 G N 0.473 109.440 108.800 0.279 0.000 2.682 55 G HA2 0.565 4.524 3.960 -0.001 0.000 0.290 55 G HA3 0.565 4.524 3.960 -0.001 0.000 0.290 55 G C -2.106 172.882 174.900 0.147 0.000 1.425 55 G CA -0.759 44.427 45.100 0.143 0.000 0.807 55 G HN 0.375 nan 8.290 nan 0.000 0.482 56 E N -0.598 119.639 120.200 0.062 0.000 2.272 56 E HA 0.553 4.902 4.350 -0.001 0.000 0.269 56 E C -1.344 175.307 176.600 0.084 0.000 0.877 56 E CA -0.635 55.814 56.400 0.081 0.000 0.755 56 E CB 2.618 32.337 29.700 0.032 0.000 1.192 56 E HN 0.265 nan 8.360 nan 0.000 0.422 57 V N 4.572 124.570 119.914 0.141 0.000 2.370 57 V HA 0.200 4.319 4.120 -0.001 0.000 0.279 57 V C -0.224 176.036 176.094 0.276 0.000 1.029 57 V CA -0.685 61.724 62.300 0.181 0.000 0.870 57 V CB 0.703 32.613 31.823 0.144 0.000 0.984 57 V HN 0.759 nan 8.190 nan 0.000 0.451 58 W N 6.460 127.866 121.300 0.177 0.000 2.293 58 W HA 0.249 4.908 4.660 -0.002 0.000 0.342 58 W C 0.789 177.408 176.519 0.166 0.000 1.274 58 W CA 0.538 58.028 57.345 0.241 0.000 1.290 58 W CB 0.632 30.244 29.460 0.254 0.000 1.176 58 W HN 0.822 nan 8.180 nan 0.000 0.570 59 C N 4.122 123.009 119.300 -0.688 0.000 3.890 59 C HA 0.230 4.690 4.460 -0.001 0.000 0.339 59 C C 0.965 175.405 174.990 -0.917 0.000 2.844 59 C CA -0.697 57.928 59.018 -0.654 0.000 1.581 59 C CB -1.133 26.490 27.740 -0.195 0.000 3.177 59 C HN 0.774 nan 8.230 nan 0.000 0.350 60 N N 1.226 119.021 118.700 -1.509 0.000 2.289 60 N HA 0.119 4.858 4.740 -0.001 0.000 0.184 60 N C -0.298 174.500 175.510 -1.187 0.000 1.016 60 N CA 1.340 53.714 53.050 -1.127 0.000 0.872 60 N CB 0.010 37.926 38.487 -0.951 0.000 0.973 60 N HN 0.710 nan 8.380 nan 0.000 0.433 61 F N -0.084 119.557 119.950 -0.515 0.000 2.601 61 F HA 0.417 4.944 4.527 -0.001 0.000 0.309 61 F C -2.006 173.821 175.800 0.046 0.000 1.089 61 F CA -2.081 55.875 58.000 -0.075 0.000 0.940 61 F CB 1.912 41.009 39.000 0.161 0.000 1.273 61 F HN -0.214 nan 8.300 nan 0.000 0.450 62 P HA 0.171 nan 4.420 nan 0.000 0.274 62 P C 0.201 177.529 177.300 0.047 0.000 1.256 62 P CA -0.147 63.089 63.100 0.225 0.000 0.795 62 P CB 0.916 32.703 31.700 0.144 0.000 1.038 63 A N 0.843 123.670 122.820 0.011 0.000 2.032 63 A HA -0.215 4.104 4.320 -0.001 0.000 0.221 63 A C 2.102 179.627 177.584 -0.098 0.000 1.165 63 A CA 2.074 54.042 52.037 -0.114 0.000 0.645 63 A CB -1.684 17.229 19.000 -0.146 0.000 0.807 63 A HN 0.765 nan 8.150 nan 0.000 0.453 64 C N -2.577 116.694 119.300 -0.049 0.000 2.791 64 C HA 0.539 4.999 4.460 -0.001 0.000 0.270 64 C C 2.008 176.998 174.990 0.001 0.000 1.257 64 C CA -0.059 58.939 59.018 -0.033 0.000 1.699 64 C CB -1.131 26.593 27.740 -0.026 0.000 1.904 64 C HN 0.508 nan 8.230 nan 0.000 0.603 65 G N 0.356 109.165 108.800 0.014 0.000 3.088 65 G HA2 0.374 4.333 3.960 -0.001 0.000 0.212 65 G HA3 0.374 4.333 3.960 -0.001 0.000 0.212 65 G C 1.522 176.465 174.900 0.071 0.000 1.173 65 G CA 0.734 45.876 45.100 0.070 0.000 0.779 65 G HN 0.704 nan 8.290 nan 0.000 0.540 66 A N 0.964 123.793 122.820 0.014 0.000 1.897 66 A HA 0.092 4.411 4.320 -0.001 0.000 0.215 66 A C 2.135 179.736 177.584 0.029 0.000 1.181 66 A CA 1.700 53.743 52.037 0.010 0.000 0.620 66 A CB -0.119 18.870 19.000 -0.017 0.000 0.821 66 A HN 0.307 nan 8.150 nan 0.000 0.443 67 E N -0.810 119.410 120.200 0.032 0.000 2.051 67 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 67 E C 1.891 178.524 176.600 0.055 0.000 0.991 67 E CA 1.542 57.958 56.400 0.028 0.000 0.799 67 E CB -0.498 29.218 29.700 0.025 0.000 0.748 67 E HN 0.810 nan 8.360 nan 0.000 0.449 68 H N 0.634 119.709 119.070 0.009 0.000 2.390 68 H HA -0.016 4.540 4.556 -0.001 0.000 0.298 68 H C 1.808 177.155 175.328 0.032 0.000 1.106 68 H CA 1.867 57.928 56.048 0.021 0.000 1.297 68 H CB 0.148 29.929 29.762 0.032 0.000 1.375 68 H HN -0.027 nan 8.280 nan 0.000 0.509 69 R N -0.452 120.019 120.500 -0.048 0.000 2.092 69 R HA 0.011 4.350 4.340 -0.001 0.000 0.231 69 R C 2.597 178.853 176.300 -0.072 0.000 1.119 69 R CA 0.974 57.031 56.100 -0.071 0.000 0.970 69 R CB -0.217 30.115 30.300 0.054 0.000 0.864 69 R HN 0.393 nan 8.270 nan 0.000 0.440 70 A N 1.144 123.938 122.820 -0.043 0.000 1.902 70 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 70 A C 1.974 179.514 177.584 -0.074 0.000 1.181 70 A CA 1.095 53.104 52.037 -0.046 0.000 0.623 70 A CB -0.254 18.720 19.000 -0.043 0.000 0.818 70 A HN 0.079 nan 8.150 nan 0.000 0.443 71 R N -0.277 120.172 120.500 -0.086 0.000 2.081 71 R HA -0.041 4.298 4.340 -0.001 0.000 0.235 71 R C 2.063 178.296 176.300 -0.111 0.000 1.131 71 R CA 1.122 57.171 56.100 -0.084 0.000 0.960 71 R CB -1.111 29.155 30.300 -0.057 0.000 0.856 71 R HN 0.600 nan 8.270 nan 0.000 0.436 72 L N 0.274 121.386 121.223 -0.184 0.000 2.083 72 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 72 L C 2.423 179.244 176.870 -0.081 0.000 1.083 72 L CA 1.004 55.750 54.840 -0.157 0.000 0.752 72 L CB -0.426 41.508 42.059 -0.208 0.000 0.899 72 L HN -0.037 nan 8.230 nan 0.000 0.433 73 V N -0.257 119.616 119.914 -0.068 0.000 2.358 73 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 73 V C 2.301 178.368 176.094 -0.045 0.000 1.047 73 V CA 1.764 64.038 62.300 -0.044 0.000 1.035 73 V CB -0.374 31.428 31.823 -0.035 0.000 0.658 73 V HN 0.479 nan 8.190 nan 0.000 0.452 74 E N 0.270 120.437 120.200 -0.055 0.000 2.076 74 E HA -0.133 4.216 4.350 -0.001 0.000 0.190 74 E C 2.301 178.880 176.600 -0.035 0.000 0.979 74 E CA 1.657 58.027 56.400 -0.050 0.000 0.807 74 E CB -0.269 29.394 29.700 -0.061 0.000 0.761 74 E HN 0.762 nan 8.360 nan 0.000 0.454 75 T N -1.809 112.724 114.554 -0.035 0.000 3.043 75 T HA 0.053 4.402 4.350 -0.001 0.000 0.263 75 T C 1.832 176.523 174.700 -0.015 0.000 1.094 75 T CA 0.396 62.483 62.100 -0.022 0.000 1.127 75 T CB 0.247 69.104 68.868 -0.018 0.000 0.905 75 T HN -0.060 nan 8.240 nan 0.000 0.490 76 V N 0.102 120.003 119.914 -0.022 0.000 2.996 76 V HA 0.349 4.468 4.120 -0.001 0.000 0.235 76 V C 2.373 178.461 176.094 -0.010 0.000 1.205 76 V CA 0.230 62.521 62.300 -0.014 0.000 1.225 76 V CB -0.072 31.739 31.823 -0.019 0.000 0.995 76 V HN 0.313 nan 8.190 nan 0.000 0.484 77 L N 0.503 121.717 121.223 -0.015 0.000 2.162 77 L HA 0.101 4.440 4.340 -0.001 0.000 0.205 77 L C 2.742 179.616 176.870 0.006 0.000 1.086 77 L CA 1.299 56.134 54.840 -0.008 0.000 0.778 77 L CB -0.808 41.242 42.059 -0.015 0.000 0.928 77 L HN 0.328 nan 8.230 nan 0.000 0.446 78 A N 0.990 123.808 122.820 -0.003 0.000 1.873 78 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 78 A C 0.057 177.658 177.584 0.029 0.000 1.193 78 A CA 1.963 54.002 52.037 0.003 0.000 0.629 78 A CB -1.877 17.115 19.000 -0.014 0.000 0.826 78 A HN 0.248 nan 8.150 nan 0.000 0.447 79 P HA -0.159 nan 4.420 nan 0.000 0.216 79 P C 1.492 178.839 177.300 0.078 0.000 1.153 79 P CA 1.019 64.143 63.100 0.041 0.000 0.858 79 P CB -0.146 31.570 31.700 0.027 0.000 0.789 80 L N -2.020 119.258 121.223 0.092 0.000 2.056 80 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 80 L C 2.331 179.368 176.870 0.278 0.000 1.078 80 L CA 1.029 55.975 54.840 0.177 0.000 0.749 80 L CB -0.942 41.186 42.059 0.115 0.000 0.901 80 L HN -0.006 nan 8.230 nan 0.000 0.433 81 L N -0.061 121.279 121.223 0.194 0.000 2.056 81 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 81 L C 2.476 179.498 176.870 0.253 0.000 1.078 81 L CA 2.210 57.180 54.840 0.217 0.000 0.749 81 L CB -0.824 41.271 42.059 0.060 0.000 0.901 81 L HN 0.392 nan 8.230 nan 0.000 0.433 82 T N -3.972 110.665 114.554 0.138 0.000 3.324 82 T HA 0.306 4.655 4.350 -0.001 0.000 0.250 82 T C 1.171 175.912 174.700 0.069 0.000 1.059 82 T CA 0.388 62.544 62.100 0.094 0.000 0.951 82 T CB -0.090 68.806 68.868 0.047 0.000 1.030 82 T HN 0.224 nan 8.240 nan 0.000 0.576 83 A N 1.518 124.390 122.820 0.086 0.000 2.167 83 A HA 0.482 4.801 4.320 -0.001 0.000 0.208 83 A C 1.166 178.723 177.584 -0.044 0.000 1.198 83 A CA -0.323 51.733 52.037 0.032 0.000 0.863 83 A CB 0.247 19.284 19.000 0.062 0.000 0.904 83 A HN 0.709 nan 8.150 nan 0.000 0.484 84 R N -2.453 117.982 120.500 -0.109 0.000 2.962 84 R HA 0.848 5.187 4.340 -0.001 0.000 0.256 84 R C -0.477 175.548 176.300 -0.458 0.000 1.199 84 R CA -0.300 55.606 56.100 -0.323 0.000 1.012 84 R CB 0.831 30.822 30.300 -0.514 0.000 1.289 84 R HN 0.178 nan 8.270 nan 0.000 0.462 85 A N 0.175 122.606 122.820 -0.648 0.000 2.346 85 A HA 0.863 5.182 4.320 -0.001 0.000 0.313 85 A C -1.422 175.592 177.584 -0.950 0.000 1.140 85 A CA -0.765 50.964 52.037 -0.514 0.000 0.826 85 A CB 0.939 19.805 19.000 -0.224 0.000 1.332 85 A HN 0.443 nan 8.150 nan 0.000 0.457 86 F N -1.128 118.801 119.950 -0.034 0.000 2.591 86 F HA 0.564 5.090 4.527 -0.001 0.000 0.309 86 F C 1.138 176.938 175.800 -0.001 0.000 1.098 86 F CA -0.050 57.937 58.000 -0.022 0.000 0.937 86 F CB 1.963 40.961 39.000 -0.004 0.000 1.250 86 F HN 0.686 nan 8.300 nan 0.000 0.447 87 A N 1.050 123.964 122.820 0.157 0.000 1.883 87 A HA -0.014 4.305 4.320 -0.001 0.000 0.217 87 A C 0.141 177.798 177.584 0.122 0.000 1.186 87 A CA 2.391 54.487 52.037 0.099 0.000 0.624 87 A CB -0.838 18.205 19.000 0.072 0.000 0.822 87 A HN 0.861 nan 8.150 nan 0.000 0.444 88 D N -5.608 114.888 120.400 0.160 0.000 2.692 88 D HA 0.414 5.054 4.640 -0.001 0.000 0.303 88 D C -2.701 173.689 176.300 0.150 0.000 1.278 88 D CA -1.293 52.798 54.000 0.152 0.000 0.852 88 D CB 0.103 40.973 40.800 0.116 0.000 1.375 88 D HN -0.195 nan 8.370 nan 0.000 0.453 89 P HA -0.026 nan 4.420 nan 0.000 0.218 89 P C 1.249 178.609 177.300 0.100 0.000 1.149 89 P CA 2.214 65.366 63.100 0.087 0.000 0.817 89 P CB -0.027 31.746 31.700 0.122 0.000 0.785 90 A N -0.059 122.841 122.820 0.134 0.000 1.940 90 A HA -0.296 4.023 4.320 -0.001 0.000 0.219 90 A C 2.369 180.069 177.584 0.193 0.000 1.176 90 A CA 1.904 54.040 52.037 0.167 0.000 0.631 90 A CB -1.426 17.647 19.000 0.121 0.000 0.814 90 A HN 0.223 nan 8.150 nan 0.000 0.446 91 Q N -0.814 119.080 119.800 0.157 0.000 2.123 91 Q HA -0.028 4.311 4.340 -0.001 0.000 0.199 91 Q C 2.109 178.207 176.000 0.163 0.000 0.966 91 Q CA 1.249 57.164 55.803 0.187 0.000 0.845 91 Q CB -0.297 28.580 28.738 0.232 0.000 0.907 91 Q HN 0.603 nan 8.270 nan 0.000 0.439 92 A N 0.207 122.981 122.820 -0.076 0.000 1.969 92 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 92 A C 1.755 179.241 177.584 -0.164 0.000 1.169 92 A CA 0.912 52.582 52.037 -0.613 0.000 0.635 92 A CB -0.762 17.643 19.000 -0.991 0.000 0.810 92 A HN 0.606 nan 8.150 nan 0.000 0.445 93 F N 1.255 121.115 119.950 -0.150 0.000 2.075 93 F HA -0.045 4.481 4.527 -0.002 0.000 0.297 93 F C 2.462 178.239 175.800 -0.038 0.000 1.113 93 F CA 1.116 59.053 58.000 -0.106 0.000 1.218 93 F CB -0.716 38.222 39.000 -0.104 0.000 0.984 93 F HN 0.229 nan 8.300 nan 0.000 0.472 94 A N -0.476 122.244 122.820 -0.167 0.000 1.933 94 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 94 A C 2.413 179.940 177.584 -0.095 0.000 1.175 94 A CA 1.755 53.666 52.037 -0.210 0.000 0.628 94 A CB -1.520 17.477 19.000 -0.006 0.000 0.814 94 A HN 0.711 nan 8.150 nan 0.000 0.444 95 H N -0.112 118.923 119.070 -0.057 0.000 2.353 95 H HA -0.047 4.508 4.556 -0.001 0.000 0.300 95 H C 1.903 177.206 175.328 -0.042 0.000 1.090 95 H CA 1.700 57.761 56.048 0.022 0.000 1.327 95 H CB -0.082 29.808 29.762 0.214 0.000 1.383 95 H HN 0.424 nan 8.280 nan 0.000 0.508 96 L N 0.552 121.685 121.223 -0.151 0.000 2.046 96 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 96 L C 2.613 179.354 176.870 -0.216 0.000 1.077 96 L CA 1.251 55.974 54.840 -0.195 0.000 0.747 96 L CB -0.406 41.584 42.059 -0.114 0.000 0.896 96 L HN 0.371 nan 8.230 nan 0.000 0.432 97 E N 0.186 120.212 120.200 -0.291 0.000 2.077 97 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 97 E C 2.291 178.795 176.600 -0.159 0.000 0.989 97 E CA 1.184 57.439 56.400 -0.241 0.000 0.800 97 E CB -0.103 29.378 29.700 -0.364 0.000 0.746 97 E HN 0.487 nan 8.360 nan 0.000 0.452 98 A N 1.584 124.304 122.820 -0.167 0.000 1.898 98 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 98 A C 2.018 179.527 177.584 -0.126 0.000 1.181 98 A CA 1.013 52.980 52.037 -0.116 0.000 0.620 98 A CB -0.217 18.734 19.000 -0.082 0.000 0.819 98 A HN 0.020 nan 8.150 nan 0.000 0.442 99 R N -0.143 120.233 120.500 -0.207 0.000 2.307 99 R HA -0.027 4.313 4.340 -0.001 0.000 0.199 99 R C 1.399 177.632 176.300 -0.112 0.000 1.000 99 R CA 1.495 57.482 56.100 -0.188 0.000 1.023 99 R CB -0.711 29.395 30.300 -0.324 0.000 0.908 99 R HN 0.746 nan 8.270 nan 0.000 0.473 100 T N -4.439 110.058 114.554 -0.095 0.000 3.040 100 T HA 0.330 4.679 4.350 -0.001 0.000 0.266 100 T C 1.789 176.472 174.700 -0.028 0.000 1.005 100 T CA 0.363 62.433 62.100 -0.051 0.000 0.906 100 T CB 0.529 69.372 68.868 -0.041 0.000 1.082 100 T HN 0.032 nan 8.240 nan 0.000 0.531 101 A N 1.727 124.525 122.820 -0.037 0.000 1.892 101 A HA -0.018 4.301 4.320 -0.001 0.000 0.218 101 A C 2.395 179.974 177.584 -0.008 0.000 1.188 101 A CA 1.999 54.024 52.037 -0.019 0.000 0.631 101 A CB -1.197 17.788 19.000 -0.025 0.000 0.822 101 A HN 0.397 nan 8.150 nan 0.000 0.447 102 V N -0.487 119.420 119.914 -0.011 0.000 2.453 102 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 102 V C 2.479 178.574 176.094 0.003 0.000 1.048 102 V CA 1.777 64.075 62.300 -0.004 0.000 1.049 102 V CB -0.675 31.144 31.823 -0.005 0.000 0.672 102 V HN 0.609 nan 8.190 nan 0.000 0.457 103 L N 1.109 122.334 121.223 0.002 0.000 2.083 103 L HA -0.096 4.243 4.340 -0.001 0.000 0.209 103 L C 2.440 179.324 176.870 0.022 0.000 1.083 103 L CA 2.371 57.218 54.840 0.012 0.000 0.752 103 L CB -0.892 41.173 42.059 0.010 0.000 0.899 103 L HN 0.213 nan 8.230 nan 0.000 0.433 104 A N -0.136 122.696 122.820 0.021 0.000 1.908 104 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 104 A C 2.267 179.867 177.584 0.027 0.000 1.181 104 A CA 2.238 54.294 52.037 0.032 0.000 0.627 104 A CB -0.887 18.132 19.000 0.031 0.000 0.818 104 A HN 0.543 nan 8.150 nan 0.000 0.445 105 I N -1.045 119.536 120.570 0.018 0.000 2.163 105 I HA -0.261 3.908 4.170 -0.001 0.000 0.240 105 I C 2.737 178.864 176.117 0.016 0.000 1.081 105 I CA 1.277 62.585 61.300 0.014 0.000 1.353 105 I CB -0.473 37.532 38.000 0.008 0.000 1.054 105 I HN 0.321 nan 8.210 nan 0.000 0.407 106 Q N 0.332 120.141 119.800 0.016 0.000 2.217 106 Q HA -0.239 4.101 4.340 -0.001 0.000 0.209 106 Q C 2.177 178.190 176.000 0.021 0.000 0.988 106 Q CA 2.469 58.282 55.803 0.017 0.000 0.878 106 Q CB -0.357 28.391 28.738 0.016 0.000 0.909 106 Q HN 0.685 nan 8.270 nan 0.000 0.424 107 T N -5.728 108.844 114.554 0.029 0.000 2.971 107 T HA 0.319 4.669 4.350 -0.001 0.000 0.252 107 T C 1.146 175.867 174.700 0.036 0.000 1.022 107 T CA 0.703 62.825 62.100 0.036 0.000 0.980 107 T CB 0.624 69.525 68.868 0.055 0.000 1.044 107 T HN 0.325 nan 8.240 nan 0.000 0.501 108 G N 1.867 110.688 108.800 0.035 0.000 2.246 108 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.273 108 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.273 108 G C -0.123 174.807 174.900 0.050 0.000 1.055 108 G CA 0.179 45.300 45.100 0.034 0.000 0.851 108 G HN 0.638 nan 8.290 nan 0.000 0.500 109 E N -0.114 120.126 120.200 0.067 0.000 3.351 109 E HA 0.142 4.491 4.350 -0.001 0.000 0.220 109 E C -1.240 175.417 176.600 0.095 0.000 1.150 109 E CA -1.353 55.105 56.400 0.098 0.000 1.359 109 E CB 1.069 30.854 29.700 0.141 0.000 1.365 109 E HN 0.388 nan 8.360 nan 0.000 0.434 110 P HA -0.123 nan 4.420 nan 0.000 0.221 110 P C 1.295 178.658 177.300 0.105 0.000 1.150 110 P CA 0.884 64.030 63.100 0.077 0.000 0.800 110 P CB 0.439 32.167 31.700 0.048 0.000 0.787 111 G N 1.332 110.198 108.800 0.109 0.000 2.454 111 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.214 111 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.214 111 G C -0.702 174.306 174.900 0.180 0.000 1.217 111 G CA 0.790 45.969 45.100 0.133 0.000 0.799 111 G HN 0.221 nan 8.290 nan 0.000 0.538 112 P HA -0.109 nan 4.420 nan 0.000 0.216 112 P C 2.019 179.402 177.300 0.139 0.000 1.154 112 P CA 0.931 64.153 63.100 0.203 0.000 0.865 112 P CB -0.097 31.745 31.700 0.238 0.000 0.789 113 L N -1.437 119.858 121.223 0.119 0.000 2.027 113 L HA -0.154 4.185 4.340 -0.001 0.000 0.206 113 L C 2.535 179.474 176.870 0.114 0.000 1.074 113 L CA 1.588 56.481 54.840 0.088 0.000 0.745 113 L CB -1.272 40.831 42.059 0.072 0.000 0.898 113 L HN -0.058 nan 8.230 nan 0.000 0.433 114 A N -0.242 122.674 122.820 0.160 0.000 1.865 114 A HA -0.299 4.021 4.320 -0.001 0.000 0.217 114 A C 2.207 179.896 177.584 0.176 0.000 1.191 114 A CA 1.947 54.117 52.037 0.222 0.000 0.623 114 A CB -0.631 18.567 19.000 0.330 0.000 0.826 114 A HN 0.441 nan 8.150 nan 0.000 0.444 115 Q N -0.611 119.302 119.800 0.188 0.000 2.061 115 Q HA -0.104 4.235 4.340 -0.001 0.000 0.204 115 Q C 2.427 178.517 176.000 0.150 0.000 0.984 115 Q CA 1.872 57.799 55.803 0.207 0.000 0.846 115 Q CB -0.466 28.466 28.738 0.323 0.000 0.902 115 Q HN 0.690 nan 8.270 nan 0.000 0.421 116 A N 0.590 123.481 122.820 0.118 0.000 1.877 116 A HA -0.194 4.126 4.320 -0.001 0.000 0.216 116 A C 2.074 179.688 177.584 0.051 0.000 1.186 116 A CA 1.365 53.443 52.037 0.070 0.000 0.620 116 A CB -0.738 18.282 19.000 0.033 0.000 0.822 116 A HN 0.358 nan 8.150 nan 0.000 0.443 117 I N -0.318 120.289 120.570 0.061 0.000 2.286 117 I HA -0.291 3.878 4.170 -0.001 0.000 0.248 117 I C 2.965 179.108 176.117 0.044 0.000 1.115 117 I CA 0.986 62.327 61.300 0.067 0.000 1.392 117 I CB -0.345 37.718 38.000 0.104 0.000 1.065 117 I HN 0.383 nan 8.210 nan 0.000 0.418 118 A N 0.960 123.784 122.820 0.005 0.000 1.877 118 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 118 A C 2.459 179.981 177.584 -0.104 0.000 1.186 118 A CA 1.926 53.893 52.037 -0.118 0.000 0.620 118 A CB -1.472 17.466 19.000 -0.104 0.000 0.822 118 A HN 0.448 nan 8.150 nan 0.000 0.443 119 G N -0.324 108.462 108.800 -0.023 0.000 2.442 119 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.219 119 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.219 119 G C 1.517 176.406 174.900 -0.019 0.000 1.141 119 G CA 1.050 46.143 45.100 -0.011 0.000 0.763 119 G HN 0.435 nan 8.290 nan 0.000 0.554 120 L N 0.027 121.240 121.223 -0.018 0.000 2.217 120 L HA 0.009 4.348 4.340 -0.001 0.000 0.211 120 L C 2.389 179.230 176.870 -0.047 0.000 1.107 120 L CA 1.135 55.958 54.840 -0.030 0.000 0.783 120 L CB -0.162 41.881 42.059 -0.026 0.000 0.919 120 L HN 0.225 nan 8.230 nan 0.000 0.442 121 D N 0.335 120.696 120.400 -0.066 0.000 2.162 121 D HA -0.136 4.503 4.640 -0.001 0.000 0.203 121 D C 2.231 178.510 176.300 -0.035 0.000 0.967 121 D CA 0.851 54.800 54.000 -0.085 0.000 0.840 121 D CB 0.145 40.812 40.800 -0.221 0.000 0.972 121 D HN 0.200 nan 8.370 nan 0.000 0.482 122 I N 0.501 121.035 120.570 -0.060 0.000 2.264 122 I HA -0.251 3.919 4.170 -0.001 0.000 0.248 122 I C 2.410 178.569 176.117 0.070 0.000 1.111 122 I CA 1.054 62.377 61.300 0.038 0.000 1.382 122 I CB -0.320 37.625 38.000 -0.091 0.000 1.060 122 I HN 0.074 nan 8.210 nan 0.000 0.418 123 A N 0.986 123.808 122.820 0.004 0.000 1.873 123 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 123 A C 2.284 179.814 177.584 -0.089 0.000 1.186 123 A CA 1.209 53.228 52.037 -0.029 0.000 0.616 123 A CB -0.789 18.178 19.000 -0.055 0.000 0.823 123 A HN 0.367 nan 8.150 nan 0.000 0.442 124 L N -0.827 120.344 121.223 -0.088 0.000 2.131 124 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 124 L C 2.584 179.346 176.870 -0.180 0.000 1.092 124 L CA 1.043 55.817 54.840 -0.109 0.000 0.759 124 L CB -0.617 41.393 42.059 -0.081 0.000 0.903 124 L HN 0.492 nan 8.230 nan 0.000 0.435 125 C N -0.548 118.627 119.300 -0.208 0.000 2.475 125 C HA -0.119 4.340 4.460 -0.001 0.000 0.279 125 C C 2.490 177.045 174.990 -0.726 0.000 1.322 125 C CA 0.646 59.328 59.018 -0.559 0.000 1.734 125 C CB -0.519 26.984 27.740 -0.395 0.000 2.005 125 C HN 0.573 nan 8.230 nan 0.000 0.495 126 D N 0.821 120.998 120.400 -0.371 0.000 2.117 126 D HA -0.146 4.493 4.640 -0.001 0.000 0.197 126 D C 1.957 178.066 176.300 -0.319 0.000 0.987 126 D CA 1.059 54.874 54.000 -0.309 0.000 0.829 126 D CB -0.246 40.504 40.800 -0.084 0.000 0.961 126 D HN 0.271 nan 8.370 nan 0.000 0.460 127 L N 0.623 121.692 121.223 -0.257 0.000 2.017 127 L HA 0.042 4.381 4.340 -0.001 0.000 0.208 127 L C 2.178 178.902 176.870 -0.243 0.000 1.073 127 L CA 2.345 57.062 54.840 -0.205 0.000 0.745 127 L CB -1.341 40.626 42.059 -0.154 0.000 0.894 127 L HN 0.075 nan 8.230 nan 0.000 0.432 128 A N -0.358 122.267 122.820 -0.325 0.000 1.902 128 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 128 A C 2.443 179.779 177.584 -0.414 0.000 1.181 128 A CA 1.984 53.862 52.037 -0.266 0.000 0.623 128 A CB -1.183 17.723 19.000 -0.157 0.000 0.818 128 A HN 0.626 nan 8.150 nan 0.000 0.443 129 A N -0.473 121.821 122.820 -0.876 0.000 1.930 129 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 129 A C 2.234 179.618 177.584 -0.334 0.000 1.175 129 A CA 1.459 53.032 52.037 -0.773 0.000 0.627 129 A CB -0.379 18.070 19.000 -0.919 0.000 0.815 129 A HN 0.531 nan 8.150 nan 0.000 0.443 130 R N -0.667 119.665 120.500 -0.280 0.000 2.066 130 R HA -0.024 4.315 4.340 -0.001 0.000 0.232 130 R C 2.417 178.656 176.300 -0.103 0.000 1.131 130 R CA 1.445 57.451 56.100 -0.157 0.000 0.955 130 R CB -0.273 29.956 30.300 -0.117 0.000 0.851 130 R HN 0.441 nan 8.270 nan 0.000 0.432 131 R N -0.033 120.410 120.500 -0.096 0.000 2.127 131 R HA -0.084 4.255 4.340 -0.001 0.000 0.238 131 R C 1.826 178.108 176.300 -0.030 0.000 1.134 131 R CA 1.352 57.422 56.100 -0.050 0.000 0.975 131 R CB -0.158 30.121 30.300 -0.035 0.000 0.865 131 R HN 0.198 nan 8.270 nan 0.000 0.447 132 A N 0.022 122.826 122.820 -0.027 0.000 2.251 132 A HA 0.224 4.544 4.320 -0.001 0.000 0.209 132 A C 1.214 178.785 177.584 -0.023 0.000 1.187 132 A CA 0.561 52.602 52.037 0.007 0.000 0.823 132 A CB 0.042 19.096 19.000 0.089 0.000 0.846 132 A HN 0.401 nan 8.150 nan 0.000 0.486 133 G N -0.623 108.147 108.800 -0.050 0.000 2.273 133 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.280 133 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.280 133 G C -0.114 174.739 174.900 -0.079 0.000 1.047 133 G CA 0.609 45.675 45.100 -0.057 0.000 0.869 133 G HN 0.654 nan 8.290 nan 0.000 0.502 134 Q N -0.249 119.484 119.800 -0.112 0.000 2.394 134 Q HA 0.509 4.848 4.340 -0.001 0.000 0.273 134 Q C -2.544 173.307 176.000 -0.249 0.000 1.089 134 Q CA -2.186 53.517 55.803 -0.167 0.000 0.812 134 Q CB 3.149 31.816 28.738 -0.119 0.000 1.353 134 Q HN 0.227 nan 8.270 nan 0.000 0.438 135 P HA -0.011 nan 4.420 nan 0.000 0.279 135 P C 0.382 177.386 177.300 -0.493 0.000 1.239 135 P CA -0.361 62.527 63.100 -0.354 0.000 0.789 135 P CB 1.012 32.544 31.700 -0.281 0.000 0.933 136 L N 3.902 124.768 121.223 -0.595 0.000 2.089 136 L HA -0.162 4.177 4.340 -0.001 0.000 0.213 136 L C 2.341 179.108 176.870 -0.172 0.000 1.079 136 L CA 1.824 56.341 54.840 -0.537 0.000 0.758 136 L CB -1.796 39.793 42.059 -0.783 0.000 0.891 136 L HN 0.618 nan 8.230 nan 0.000 0.433 137 W N -0.975 120.365 121.300 0.065 0.000 2.363 137 W HA -0.114 4.546 4.660 -0.001 0.000 0.296 137 W C 1.906 178.491 176.519 0.110 0.000 1.212 137 W CA 1.019 58.477 57.345 0.189 0.000 1.260 137 W CB -1.134 28.501 29.460 0.292 0.000 1.131 137 W HN 0.247 nan 8.180 nan 0.000 0.530 138 A N 0.530 122.898 122.820 -0.753 0.000 1.929 138 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 138 A C 1.755 179.206 177.584 -0.221 0.000 1.176 138 A CA 1.376 52.981 52.037 -0.720 0.000 0.628 138 A CB -1.592 16.735 19.000 -1.120 0.000 0.816 138 A HN 0.455 nan 8.150 nan 0.000 0.444 139 W N 0.801 121.877 121.300 -0.374 0.000 2.338 139 W HA -0.134 4.525 4.660 -0.002 0.000 0.304 139 W C 1.366 177.766 176.519 -0.197 0.000 1.212 139 W CA 1.833 59.016 57.345 -0.269 0.000 1.264 139 W CB -0.225 29.053 29.460 -0.304 0.000 1.142 139 W HN 0.220 nan 8.180 nan 0.000 0.512 140 L N 0.980 122.257 121.223 0.089 0.000 2.622 140 L HA 0.141 4.480 4.340 -0.001 0.000 0.233 140 L C 1.753 178.594 176.870 -0.049 0.000 1.156 140 L CA 0.849 55.681 54.840 -0.013 0.000 0.866 140 L CB -1.209 40.904 42.059 0.091 0.000 0.980 140 L HN 0.352 nan 8.230 nan 0.000 0.448 141 G N -0.222 108.544 108.800 -0.056 0.000 2.132 141 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.228 141 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.228 141 G C 0.447 175.404 174.900 0.095 0.000 1.000 141 G CA -0.200 44.886 45.100 -0.023 0.000 0.693 141 G HN 0.523 nan 8.290 nan 0.000 0.515 142 G N -0.639 108.298 108.800 0.228 0.000 2.537 142 G HA2 0.628 4.588 3.960 -0.001 0.000 0.273 142 G HA3 0.628 4.588 3.960 -0.001 0.000 0.273 142 G C 0.996 176.193 174.900 0.495 0.000 1.189 142 G CA 0.756 46.088 45.100 0.387 0.000 0.881 142 G HN 1.395 nan 8.290 nan 0.000 0.535 143 S N -0.490 115.426 115.700 0.360 0.000 2.578 143 S HA 0.463 4.932 4.470 -0.001 0.000 0.228 143 S C 0.869 175.569 174.600 0.167 0.000 1.022 143 S CA 0.407 58.802 58.200 0.325 0.000 0.967 143 S CB 0.484 63.776 63.200 0.154 0.000 0.914 143 S HN 1.088 nan 8.310 nan 0.000 0.515 144 G N 0.881 109.588 108.800 -0.155 0.000 2.733 144 G HA2 0.546 4.505 3.960 -0.001 0.000 0.288 144 G HA3 0.546 4.505 3.960 -0.001 0.000 0.288 144 G C -0.979 173.237 174.900 -1.141 0.000 1.373 144 G CA -0.142 44.671 45.100 -0.478 0.000 0.895 144 G HN 0.192 nan 8.290 nan 0.000 0.479 145 D N -1.603 118.246 120.400 -0.920 0.000 2.539 145 D HA 0.066 4.705 4.640 -0.001 0.000 0.232 145 D C 0.504 176.527 176.300 -0.461 0.000 1.256 145 D CA -0.404 52.996 54.000 -0.999 0.000 0.810 145 D CB 0.495 40.695 40.800 -1.001 0.000 1.090 145 D HN 0.356 nan 8.370 nan 0.000 0.519 146 R N 1.488 121.801 120.500 -0.311 0.000 2.346 146 R HA 0.610 4.949 4.340 -0.001 0.000 0.311 146 R C -0.215 176.003 176.300 -0.137 0.000 0.983 146 R CA -0.616 55.375 56.100 -0.181 0.000 0.880 146 R CB 0.840 31.064 30.300 -0.126 0.000 1.100 146 R HN 0.224 nan 8.270 nan 0.000 0.453 147 I N 0.121 120.630 120.570 -0.103 0.000 2.994 147 I HA 0.698 4.867 4.170 -0.001 0.000 0.306 147 I C -0.225 175.871 176.117 -0.035 0.000 1.195 147 I CA -1.327 59.936 61.300 -0.061 0.000 1.001 147 I CB 2.256 40.223 38.000 -0.055 0.000 1.244 147 I HN 0.668 nan 8.210 nan 0.000 0.437 148 G N 1.777 110.575 108.800 -0.004 0.000 2.502 148 G HA2 0.679 4.638 3.960 -0.001 0.000 0.305 148 G HA3 0.679 4.638 3.960 -0.001 0.000 0.305 148 G C -0.496 174.436 174.900 0.054 0.000 1.190 148 G CA -0.343 44.767 45.100 0.016 0.000 0.933 148 G HN 1.212 nan 8.290 nan 0.000 0.503 149 V N -2.287 117.676 119.914 0.081 0.000 3.188 149 V HA 0.872 4.992 4.120 -0.001 0.000 0.305 149 V C -1.382 174.837 176.094 0.208 0.000 1.232 149 V CA -1.377 61.003 62.300 0.134 0.000 1.043 149 V CB 1.367 33.261 31.823 0.118 0.000 1.068 149 V HN 1.286 nan 8.190 nan 0.000 0.439 150 Y N 0.482 120.809 120.300 0.046 0.000 2.524 150 Y HA 0.955 5.504 4.550 -0.001 0.000 0.347 150 Y C -0.119 175.620 175.900 -0.268 0.000 1.005 150 Y CA -0.985 57.041 58.100 -0.123 0.000 1.025 150 Y CB 1.385 39.762 38.460 -0.138 0.000 1.275 150 Y HN 1.203 nan 8.280 nan 0.000 0.460 151 A N 2.338 124.856 122.820 -0.503 0.000 2.454 151 A HA 0.494 4.813 4.320 -0.001 0.000 0.260 151 A C 0.007 177.460 177.584 -0.219 0.000 1.106 151 A CA 0.046 51.675 52.037 -0.681 0.000 0.780 151 A CB -0.010 18.646 19.000 -0.572 0.000 1.044 151 A HN 0.776 nan 8.150 nan 0.000 0.498 152 S N 1.655 117.197 115.700 -0.264 0.000 2.502 152 S HA 0.607 5.076 4.470 -0.001 0.000 0.304 152 S C 0.555 175.135 174.600 -0.034 0.000 1.097 152 S CA 0.486 58.633 58.200 -0.089 0.000 1.045 152 S CB 0.764 63.805 63.200 -0.264 0.000 1.019 152 S HN 2.459 nan 8.310 nan 0.000 0.481 153 G N 3.784 112.611 108.800 0.044 0.000 2.164 153 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.212 153 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.212 153 G C -0.264 174.668 174.900 0.053 0.000 1.031 153 G CA -0.248 44.881 45.100 0.048 0.000 0.730 153 G HN 0.712 nan 8.290 nan 0.000 0.501 154 I N 1.159 121.767 120.570 0.063 0.000 2.668 154 I HA 0.135 4.304 4.170 -0.001 0.000 0.285 154 I C 0.870 177.022 176.117 0.058 0.000 1.168 154 I CA -0.271 61.061 61.300 0.054 0.000 1.424 154 I CB 0.284 38.321 38.000 0.062 0.000 1.377 154 I HN 0.228 nan 8.210 nan 0.000 0.560 155 N N 8.940 127.659 118.700 0.031 0.000 2.525 155 N HA 0.181 4.920 4.740 -0.001 0.000 0.271 155 N C -1.461 174.034 175.510 -0.025 0.000 1.194 155 N CA -1.076 51.977 53.050 0.005 0.000 0.964 155 N CB 0.530 38.998 38.487 -0.033 0.000 1.126 155 N HN 0.387 nan 8.380 nan 0.000 0.452 156 P HA -0.136 nan 4.420 nan 0.000 0.221 156 P C 0.137 177.373 177.300 -0.107 0.000 1.145 156 P CA 1.228 64.272 63.100 -0.093 0.000 0.795 156 P CB 0.468 32.023 31.700 -0.241 0.000 0.775 157 E N 0.869 120.989 120.200 -0.133 0.000 2.023 157 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 157 E C 0.670 177.232 176.600 -0.063 0.000 1.003 157 E CA 1.328 57.667 56.400 -0.102 0.000 0.809 157 E CB -0.641 29.001 29.700 -0.097 0.000 0.755 157 E HN 0.422 nan 8.360 nan 0.000 0.449 158 N N -0.109 118.564 118.700 -0.045 0.000 2.711 158 N HA 0.110 4.850 4.740 -0.001 0.000 0.263 158 N C -2.303 173.200 175.510 -0.012 0.000 1.667 158 N CA -0.611 52.422 53.050 -0.028 0.000 0.785 158 N CB 1.687 40.158 38.487 -0.026 0.000 1.231 158 N HN 0.021 nan 8.380 nan 0.000 0.503 159 P HA -0.239 nan 4.420 nan 0.000 0.216 159 P C 1.071 178.365 177.300 -0.010 0.000 1.150 159 P CA 1.544 64.646 63.100 0.003 0.000 0.837 159 P CB 0.347 32.060 31.700 0.022 0.000 0.786 160 E N 0.270 120.489 120.200 0.031 0.000 2.204 160 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 160 E C 1.346 177.935 176.600 -0.019 0.000 0.989 160 E CA 1.109 57.521 56.400 0.018 0.000 0.824 160 E CB -1.164 28.636 29.700 0.165 0.000 0.756 160 E HN 0.243 nan 8.360 nan 0.000 0.477 161 D N 1.298 121.696 120.400 -0.005 0.000 2.123 161 D HA -0.105 4.534 4.640 -0.001 0.000 0.200 161 D C 2.175 178.467 176.300 -0.013 0.000 0.976 161 D CA 1.898 55.893 54.000 -0.008 0.000 0.831 161 D CB -0.077 40.721 40.800 -0.003 0.000 0.974 161 D HN 0.272 nan 8.370 nan 0.000 0.469 162 V N -0.427 119.479 119.914 -0.013 0.000 2.719 162 V HA -0.068 4.051 4.120 -0.001 0.000 0.252 162 V C 2.099 178.190 176.094 -0.006 0.000 1.065 162 V CA 0.820 63.121 62.300 0.003 0.000 1.086 162 V CB -0.259 31.571 31.823 0.011 0.000 0.700 162 V HN -0.036 nan 8.190 nan 0.000 0.467 163 V N 1.244 121.105 119.914 -0.089 0.000 2.427 163 V HA -0.115 4.004 4.120 -0.001 0.000 0.248 163 V C 3.125 179.093 176.094 -0.209 0.000 1.051 163 V CA 2.098 64.230 62.300 -0.280 0.000 1.048 163 V CB -1.181 30.346 31.823 -0.493 0.000 0.666 163 V HN 0.682 nan 8.190 nan 0.000 0.456 164 A N -0.102 122.647 122.820 -0.117 0.000 1.877 164 A HA -0.257 4.062 4.320 -0.001 0.000 0.216 164 A C 2.416 180.012 177.584 0.021 0.000 1.186 164 A CA 2.095 54.099 52.037 -0.055 0.000 0.620 164 A CB -0.557 18.421 19.000 -0.036 0.000 0.822 164 A HN 0.458 nan 8.150 nan 0.000 0.443 165 R N -0.540 119.982 120.500 0.037 0.000 2.073 165 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 165 R C 1.805 178.190 176.300 0.142 0.000 1.134 165 R CA 1.593 57.736 56.100 0.072 0.000 0.952 165 R CB -0.128 30.206 30.300 0.055 0.000 0.850 165 R HN 0.252 nan 8.270 nan 0.000 0.433 166 K N 0.170 120.690 120.400 0.200 0.000 2.211 166 K HA -0.031 4.288 4.320 -0.001 0.000 0.203 166 K C 1.799 178.691 176.600 0.486 0.000 1.050 166 K CA 1.189 57.692 56.287 0.360 0.000 0.945 166 K CB -0.338 32.358 32.500 0.326 0.000 0.732 166 K HN 0.250 nan 8.250 nan 0.000 0.451 167 A N 1.427 124.488 122.820 0.402 0.000 1.898 167 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 167 A C 2.395 180.104 177.584 0.208 0.000 1.181 167 A CA 1.773 54.039 52.037 0.382 0.000 0.620 167 A CB -0.564 18.571 19.000 0.226 0.000 0.819 167 A HN 0.265 nan 8.150 nan 0.000 0.442 168 A N -0.210 122.699 122.820 0.147 0.000 2.019 168 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 168 A C 1.777 179.412 177.584 0.085 0.000 1.164 168 A CA 1.562 53.655 52.037 0.093 0.000 0.644 168 A CB -0.426 18.616 19.000 0.070 0.000 0.805 168 A HN 0.631 nan 8.150 nan 0.000 0.449 169 E N -1.834 118.438 120.200 0.121 0.000 2.482 169 E HA 0.232 4.581 4.350 -0.001 0.000 0.196 169 E C 1.134 177.712 176.600 -0.037 0.000 1.047 169 E CA 0.396 56.840 56.400 0.074 0.000 0.869 169 E CB -0.000 29.792 29.700 0.155 0.000 0.836 169 E HN 0.727 nan 8.360 nan 0.000 0.520 170 G N 0.111 108.899 108.800 -0.021 0.000 2.205 170 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.180 170 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.180 170 G C -0.424 174.346 174.900 -0.217 0.000 1.004 170 G CA -0.648 44.376 45.100 -0.127 0.000 0.670 170 G HN 0.139 nan 8.290 nan 0.000 0.496 171 Y N 1.182 121.483 120.300 0.002 0.000 2.335 171 Y HA 0.587 5.136 4.550 -0.001 0.000 0.331 171 Y C 1.572 177.374 175.900 -0.164 0.000 1.094 171 Y CA -0.374 57.645 58.100 -0.135 0.000 1.253 171 Y CB 0.891 39.217 38.460 -0.223 0.000 1.203 171 Y HN -0.026 nan 8.280 nan 0.000 0.508 172 R N 2.068 122.514 120.500 -0.091 0.000 2.543 172 R HA 0.529 4.868 4.340 -0.001 0.000 0.323 172 R C -0.653 175.549 176.300 -0.165 0.000 1.002 172 R CA -0.151 55.922 56.100 -0.045 0.000 1.106 172 R CB 0.423 30.715 30.300 -0.013 0.000 1.280 172 R HN 0.557 nan 8.270 nan 0.000 0.549 173 A N 0.583 123.060 122.820 -0.572 0.000 2.520 173 A HA 0.784 5.103 4.320 -0.001 0.000 0.298 173 A C -1.402 175.638 177.584 -0.907 0.000 1.051 173 A CA -0.568 51.204 52.037 -0.442 0.000 0.690 173 A CB 1.249 20.172 19.000 -0.128 0.000 1.281 173 A HN 0.084 nan 8.150 nan 0.000 0.402 174 F N 0.387 120.341 119.950 0.007 0.000 2.601 174 F HA 0.666 5.193 4.527 -0.001 0.000 0.309 174 F C 0.005 175.768 175.800 -0.062 0.000 1.089 174 F CA -0.552 57.454 58.000 0.009 0.000 0.940 174 F CB 2.679 41.668 39.000 -0.019 0.000 1.273 174 F HN 0.547 nan 8.300 nan 0.000 0.450 175 K N 2.597 123.112 120.400 0.191 0.000 2.413 175 K HA 0.667 4.986 4.320 -0.001 0.000 0.257 175 K C -1.809 174.850 176.600 0.097 0.000 0.946 175 K CA -0.635 55.694 56.287 0.069 0.000 0.823 175 K CB 1.154 33.762 32.500 0.179 0.000 1.109 175 K HN 0.505 nan 8.250 nan 0.000 0.427 176 L N 3.597 124.854 121.223 0.056 0.000 2.343 176 L HA 0.424 4.763 4.340 -0.001 0.000 0.275 176 L C -0.111 176.812 176.870 0.089 0.000 1.056 176 L CA -0.260 54.626 54.840 0.077 0.000 0.804 176 L CB 1.363 43.462 42.059 0.068 0.000 1.203 176 L HN 0.553 nan 8.230 nan 0.000 0.440 177 K N 2.369 122.849 120.400 0.133 0.000 2.183 177 K HA 0.695 5.014 4.320 -0.001 0.000 0.274 177 K C -0.618 176.138 176.600 0.260 0.000 1.009 177 K CA -0.559 55.831 56.287 0.171 0.000 0.888 177 K CB 1.921 34.586 32.500 0.274 0.000 1.078 177 K HN 0.466 nan 8.250 nan 0.000 0.459 178 V N -2.229 117.724 119.914 0.064 0.000 3.105 178 V HA 0.851 4.971 4.120 -0.001 0.000 0.311 178 V C 0.597 176.425 176.094 -0.443 0.000 1.287 178 V CA -0.041 62.294 62.300 0.058 0.000 1.066 178 V CB 1.242 33.150 31.823 0.142 0.000 1.105 178 V HN 0.894 nan 8.190 nan 0.000 0.462 179 G N -0.899 107.737 108.800 -0.274 0.000 2.231 179 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.206 179 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.206 179 G C 0.097 174.804 174.900 -0.322 0.000 0.996 179 G CA 0.417 45.198 45.100 -0.531 0.000 0.645 179 G HN 0.926 nan 8.290 nan 0.000 0.498 180 F N 1.275 121.267 119.950 0.069 0.000 2.135 180 F HA 0.424 4.950 4.527 -0.001 0.000 0.280 180 F C 1.254 177.115 175.800 0.101 0.000 1.109 180 F CA 0.936 58.976 58.000 0.067 0.000 1.163 180 F CB -0.114 38.910 39.000 0.040 0.000 1.062 180 F HN 0.113 nan 8.300 nan 0.000 0.496 181 D N -0.270 120.351 120.400 0.368 0.000 2.414 181 D HA 0.188 4.827 4.640 -0.001 0.000 0.232 181 D C -0.000 176.417 176.300 0.195 0.000 1.070 181 D CA -0.273 53.858 54.000 0.218 0.000 0.839 181 D CB 0.929 41.820 40.800 0.151 0.000 1.079 181 D HN -0.010 nan 8.370 nan 0.000 0.521 182 D N 2.502 122.994 120.400 0.154 0.000 2.133 182 D HA -0.216 4.423 4.640 -0.001 0.000 0.192 182 D C 1.837 178.180 176.300 0.073 0.000 1.001 182 D CA 1.755 55.816 54.000 0.102 0.000 0.844 182 D CB 0.017 40.828 40.800 0.020 0.000 0.944 182 D HN 0.499 nan 8.370 nan 0.000 0.447 183 A N 0.080 122.934 122.820 0.056 0.000 1.897 183 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 183 A C 2.147 179.759 177.584 0.047 0.000 1.181 183 A CA 1.207 53.266 52.037 0.038 0.000 0.620 183 A CB -0.376 18.638 19.000 0.023 0.000 0.821 183 A HN 0.071 nan 8.150 nan 0.000 0.443 184 R N -0.368 120.170 120.500 0.062 0.000 2.092 184 R HA -0.138 4.201 4.340 -0.001 0.000 0.231 184 R C 1.257 177.606 176.300 0.081 0.000 1.119 184 R CA 1.641 57.775 56.100 0.055 0.000 0.970 184 R CB -0.245 30.087 30.300 0.054 0.000 0.864 184 R HN 0.467 nan 8.270 nan 0.000 0.440 185 D N -0.022 120.456 120.400 0.130 0.000 2.097 185 D HA -0.141 4.498 4.640 -0.001 0.000 0.197 185 D C 1.898 178.269 176.300 0.118 0.000 0.984 185 D CA 1.612 55.708 54.000 0.160 0.000 0.826 185 D CB -0.210 40.735 40.800 0.241 0.000 0.973 185 D HN 0.257 nan 8.370 nan 0.000 0.460 186 V N -0.545 119.424 119.914 0.092 0.000 2.759 186 V HA -0.088 4.032 4.120 -0.001 0.000 0.256 186 V C 2.312 178.439 176.094 0.055 0.000 1.080 186 V CA 1.287 63.625 62.300 0.063 0.000 1.101 186 V CB -0.548 31.295 31.823 0.033 0.000 0.698 186 V HN -0.051 nan 8.190 nan 0.000 0.477 187 R N 0.638 121.169 120.500 0.052 0.000 2.062 187 R HA -0.047 4.292 4.340 -0.001 0.000 0.229 187 R C 2.410 178.750 176.300 0.067 0.000 1.128 187 R CA 1.722 57.847 56.100 0.042 0.000 0.960 187 R CB -0.309 29.998 30.300 0.013 0.000 0.855 187 R HN 0.573 nan 8.270 nan 0.000 0.432 188 N N 0.743 119.483 118.700 0.067 0.000 2.043 188 N HA -0.187 4.552 4.740 -0.001 0.000 0.193 188 N C 1.659 177.225 175.510 0.094 0.000 1.037 188 N CA 1.698 54.799 53.050 0.085 0.000 0.851 188 N CB -0.651 37.880 38.487 0.074 0.000 1.027 188 N HN 0.292 nan 8.380 nan 0.000 0.422 189 A N 1.662 124.528 122.820 0.077 0.000 1.884 189 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 189 A C 2.438 180.047 177.584 0.042 0.000 1.197 189 A CA 1.435 53.506 52.037 0.056 0.000 0.637 189 A CB -1.002 18.035 19.000 0.061 0.000 0.827 189 A HN 0.266 nan 8.150 nan 0.000 0.450 190 L N -2.074 119.180 121.223 0.053 0.000 2.093 190 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 190 L C 2.659 179.558 176.870 0.048 0.000 1.085 190 L CA 1.691 56.556 54.840 0.041 0.000 0.755 190 L CB -0.722 41.363 42.059 0.044 0.000 0.904 190 L HN 0.635 nan 8.230 nan 0.000 0.435 191 H N -0.021 119.040 119.070 -0.015 0.000 2.321 191 H HA -0.135 4.420 4.556 -0.001 0.000 0.300 191 H C 2.094 177.398 175.328 -0.040 0.000 1.087 191 H CA 1.856 57.890 56.048 -0.024 0.000 1.319 191 H CB -0.043 29.705 29.762 -0.022 0.000 1.379 191 H HN -0.017 nan 8.280 nan 0.000 0.501 192 V N 0.739 120.618 119.914 -0.058 0.000 2.407 192 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 192 V C 2.573 178.578 176.094 -0.149 0.000 1.055 192 V CA 1.944 64.159 62.300 -0.142 0.000 1.049 192 V CB -0.552 31.221 31.823 -0.084 0.000 0.662 192 V HN 0.325 nan 8.190 nan 0.000 0.455 193 R N 1.112 121.559 120.500 -0.089 0.000 2.075 193 R HA -0.176 4.164 4.340 -0.001 0.000 0.232 193 R C 2.191 178.437 176.300 -0.090 0.000 1.126 193 R CA 2.137 58.195 56.100 -0.069 0.000 0.963 193 R CB -0.726 29.552 30.300 -0.035 0.000 0.858 193 R HN 0.648 nan 8.270 nan 0.000 0.435 194 E N -0.301 119.832 120.200 -0.113 0.000 2.070 194 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 194 E C 1.796 178.301 176.600 -0.157 0.000 1.004 194 E CA 1.656 57.982 56.400 -0.124 0.000 0.805 194 E CB -0.261 29.354 29.700 -0.141 0.000 0.744 194 E HN 0.300 nan 8.360 nan 0.000 0.451 195 L N 0.913 121.992 121.223 -0.240 0.000 1.976 195 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 195 L C 2.217 179.000 176.870 -0.145 0.000 1.071 195 L CA 1.721 56.430 54.840 -0.219 0.000 0.746 195 L CB -0.650 41.236 42.059 -0.288 0.000 0.890 195 L HN 0.242 nan 8.230 nan 0.000 0.432 196 L N -0.668 120.469 121.223 -0.144 0.000 2.265 196 L HA 0.057 4.397 4.340 -0.001 0.000 0.215 196 L C 1.806 178.649 176.870 -0.045 0.000 1.117 196 L CA 0.757 55.542 54.840 -0.091 0.000 0.782 196 L CB -1.049 40.962 42.059 -0.080 0.000 0.914 196 L HN 0.709 nan 8.230 nan 0.000 0.441 197 G N -1.006 107.763 108.800 -0.053 0.000 3.299 197 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.251 197 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.251 197 G C 0.480 175.366 174.900 -0.022 0.000 1.741 197 G CA 0.065 45.145 45.100 -0.032 0.000 1.151 197 G HN 0.448 nan 8.290 nan 0.000 0.561 198 A N -1.982 120.832 122.820 -0.010 0.000 2.260 198 A HA 0.796 5.115 4.320 -0.001 0.000 0.153 198 A C 1.840 179.426 177.584 0.002 0.000 1.906 198 A CA 1.849 53.882 52.037 -0.006 0.000 1.444 198 A CB -0.788 18.208 19.000 -0.006 0.000 1.615 198 A HN 2.225 nan 8.150 nan 0.000 0.356 199 A N 0.268 123.093 122.820 0.007 0.000 2.169 199 A HA 0.363 4.682 4.320 -0.001 0.000 0.212 199 A C 0.970 178.566 177.584 0.020 0.000 1.153 199 A CA 1.310 53.353 52.037 0.011 0.000 0.756 199 A CB -0.578 18.428 19.000 0.010 0.000 0.813 199 A HN 0.326 nan 8.150 nan 0.000 0.471 200 T N 3.000 117.574 114.554 0.034 0.000 2.814 200 T HA 0.385 4.734 4.350 -0.001 0.000 0.297 200 T C -2.634 172.093 174.700 0.046 0.000 0.956 200 T CA -0.671 61.470 62.100 0.068 0.000 1.123 200 T CB 0.893 69.841 68.868 0.133 0.000 0.902 200 T HN 0.073 nan 8.240 nan 0.000 0.528 201 P HA 0.265 nan 4.420 nan 0.000 0.267 201 P C -0.987 176.274 177.300 -0.064 0.000 1.209 201 P CA -0.463 62.604 63.100 -0.055 0.000 0.763 201 P CB 0.399 32.045 31.700 -0.091 0.000 0.816 202 L N 5.149 126.298 121.223 -0.123 0.000 2.386 202 L HA 0.643 4.982 4.340 -0.001 0.000 0.271 202 L C -0.890 175.796 176.870 -0.305 0.000 0.993 202 L CA -0.506 54.258 54.840 -0.127 0.000 0.819 202 L CB 1.711 43.743 42.059 -0.046 0.000 1.294 202 L HN 0.264 nan 8.230 nan 0.000 0.414 203 M N 3.540 122.906 119.600 -0.390 0.000 2.727 203 M HA 0.925 5.404 4.480 -0.001 0.000 0.300 203 M C -0.875 175.266 176.300 -0.266 0.000 1.246 203 M CA -0.412 54.529 55.300 -0.598 0.000 0.835 203 M CB 2.231 34.051 32.600 -1.300 0.000 1.755 203 M HN 0.625 nan 8.290 nan 0.000 0.473 204 A N 0.630 123.344 122.820 -0.176 0.000 2.427 204 A HA 0.708 5.027 4.320 -0.001 0.000 0.298 204 A C -1.949 175.674 177.584 0.065 0.000 1.036 204 A CA -0.574 51.461 52.037 -0.005 0.000 0.701 204 A CB 1.139 20.174 19.000 0.057 0.000 1.250 204 A HN 0.738 nan 8.150 nan 0.000 0.412 205 D N 1.868 122.294 120.400 0.043 0.000 2.425 205 D HA 0.623 5.263 4.640 -0.001 0.000 0.240 205 D C 0.500 176.719 176.300 -0.135 0.000 1.080 205 D CA 0.329 54.343 54.000 0.024 0.000 0.836 205 D CB 1.782 42.617 40.800 0.058 0.000 1.125 205 D HN 0.535 nan 8.370 nan 0.000 0.525 206 A N 3.707 126.359 122.820 -0.280 0.000 2.308 206 A HA 0.174 4.493 4.320 -0.001 0.000 0.217 206 A C 0.759 178.027 177.584 -0.528 0.000 1.216 206 A CA -0.186 51.465 52.037 -0.643 0.000 0.864 206 A CB -0.662 17.557 19.000 -1.301 0.000 0.902 206 A HN 0.762 nan 8.150 nan 0.000 0.499 207 N N 0.268 118.801 118.700 -0.279 0.000 2.708 207 N HA -0.265 4.475 4.740 -0.001 0.000 0.251 207 N C -0.026 175.356 175.510 -0.213 0.000 1.017 207 N CA 1.043 53.973 53.050 -0.201 0.000 0.742 207 N CB -1.479 36.889 38.487 -0.199 0.000 0.943 207 N HN 0.695 nan 8.380 nan 0.000 0.539 208 Q N -4.370 115.313 119.800 -0.194 0.000 2.481 208 Q HA -0.231 4.108 4.340 -0.001 0.000 0.258 208 Q C 1.147 177.027 176.000 -0.200 0.000 0.961 208 Q CA 0.819 56.539 55.803 -0.138 0.000 1.121 208 Q CB -1.823 26.878 28.738 -0.063 0.000 1.503 208 Q HN 0.701 nan 8.270 nan 0.000 0.544 209 G N -1.226 107.343 108.800 -0.384 0.000 2.920 209 G HA2 0.042 4.001 3.960 -0.001 0.000 0.208 209 G HA3 0.042 4.001 3.960 -0.001 0.000 0.208 209 G C -0.091 174.699 174.900 -0.182 0.000 1.159 209 G CA -0.015 44.868 45.100 -0.361 0.000 0.784 209 G HN 0.207 nan 8.290 nan 0.000 0.535 210 W N 0.742 121.984 121.300 -0.098 0.000 2.820 210 W HA 0.465 5.124 4.660 -0.001 0.000 0.350 210 W C -0.650 175.802 176.519 -0.112 0.000 1.116 210 W CA -1.403 55.884 57.345 -0.097 0.000 1.146 210 W CB 0.923 30.323 29.460 -0.099 0.000 1.433 210 W HN 0.089 nan 8.180 nan 0.000 0.561 211 D N -0.485 120.003 120.400 0.146 0.000 2.384 211 D HA 0.256 4.895 4.640 -0.001 0.000 0.250 211 D C 0.906 177.187 176.300 -0.031 0.000 1.029 211 D CA -0.732 53.279 54.000 0.019 0.000 0.990 211 D CB 0.631 41.431 40.800 -0.001 0.000 1.175 211 D HN 0.088 nan 8.370 nan 0.000 0.532 212 L N 0.493 121.666 121.223 -0.083 0.000 2.021 212 L HA -0.074 4.265 4.340 -0.001 0.000 0.215 212 L C -1.064 175.741 176.870 -0.108 0.000 1.074 212 L CA 2.224 56.996 54.840 -0.113 0.000 0.760 212 L CB -1.775 40.218 42.059 -0.110 0.000 0.889 212 L HN 0.422 nan 8.230 nan 0.000 0.433 213 P HA -0.150 nan 4.420 nan 0.000 0.216 213 P C 1.650 178.855 177.300 -0.159 0.000 1.153 213 P CA 1.472 64.509 63.100 -0.105 0.000 0.848 213 P CB -0.093 31.559 31.700 -0.079 0.000 0.787 214 R N -0.316 120.074 120.500 -0.184 0.000 2.075 214 R HA -0.043 4.296 4.340 -0.001 0.000 0.232 214 R C 2.147 178.111 176.300 -0.560 0.000 1.126 214 R CA 1.444 57.337 56.100 -0.344 0.000 0.963 214 R CB -0.828 29.287 30.300 -0.308 0.000 0.858 214 R HN 0.042 nan 8.270 nan 0.000 0.435 215 A N 1.104 123.698 122.820 -0.378 0.000 1.883 215 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 215 A C 2.143 179.554 177.584 -0.289 0.000 1.186 215 A CA 1.536 53.378 52.037 -0.324 0.000 0.624 215 A CB -0.489 18.497 19.000 -0.025 0.000 0.822 215 A HN 0.330 nan 8.150 nan 0.000 0.444 216 R N -0.922 119.457 120.500 -0.202 0.000 2.082 216 R HA -0.206 4.133 4.340 -0.001 0.000 0.234 216 R C 2.647 178.841 176.300 -0.176 0.000 1.136 216 R CA 1.784 57.796 56.100 -0.147 0.000 0.935 216 R CB -0.501 29.732 30.300 -0.113 0.000 0.842 216 R HN 0.801 nan 8.270 nan 0.000 0.430 217 Q N 0.239 119.911 119.800 -0.213 0.000 2.029 217 Q HA -0.241 4.098 4.340 -0.001 0.000 0.209 217 Q C 2.104 177.958 176.000 -0.243 0.000 0.999 217 Q CA 1.827 57.507 55.803 -0.206 0.000 0.857 217 Q CB 0.023 28.630 28.738 -0.218 0.000 0.926 217 Q HN 0.243 nan 8.270 nan 0.000 0.415 218 M N -0.090 119.265 119.600 -0.408 0.000 2.086 218 M HA -0.128 4.351 4.480 -0.001 0.000 0.261 218 M C 2.366 178.525 176.300 -0.235 0.000 1.067 218 M CA 1.572 56.619 55.300 -0.421 0.000 1.116 218 M CB -1.422 30.627 32.600 -0.918 0.000 1.348 218 M HN 0.403 nan 8.290 nan 0.000 0.407 219 A N -0.500 122.194 122.820 -0.209 0.000 1.986 219 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 219 A C 2.131 179.692 177.584 -0.039 0.000 1.171 219 A CA 1.973 53.977 52.037 -0.055 0.000 0.640 219 A CB -0.654 18.332 19.000 -0.023 0.000 0.811 219 A HN 0.507 nan 8.150 nan 0.000 0.451 220 Q N -0.735 119.023 119.800 -0.070 0.000 2.049 220 Q HA -0.008 4.331 4.340 -0.001 0.000 0.198 220 Q C 2.346 178.322 176.000 -0.040 0.000 0.971 220 Q CA 1.309 57.084 55.803 -0.048 0.000 0.833 220 Q CB -0.136 28.567 28.738 -0.059 0.000 0.896 220 Q HN 0.618 nan 8.270 nan 0.000 0.434 221 R N -0.182 120.283 120.500 -0.059 0.000 2.105 221 R HA -0.098 4.241 4.340 -0.001 0.000 0.239 221 R C 2.089 178.381 176.300 -0.014 0.000 1.135 221 R CA 1.130 57.206 56.100 -0.041 0.000 0.967 221 R CB -0.380 29.885 30.300 -0.058 0.000 0.861 221 R HN 0.310 nan 8.270 nan 0.000 0.442 222 L N -0.246 120.974 121.223 -0.006 0.000 2.376 222 L HA -0.003 4.336 4.340 -0.001 0.000 0.219 222 L C 2.447 179.329 176.870 0.020 0.000 1.133 222 L CA 0.511 55.366 54.840 0.024 0.000 0.816 222 L CB -0.687 41.405 42.059 0.056 0.000 0.933 222 L HN 0.315 nan 8.230 nan 0.000 0.449 223 G N 2.002 110.808 108.800 0.011 0.000 2.649 223 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.220 223 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.220 223 G C -0.438 174.469 174.900 0.011 0.000 1.189 223 G CA 1.088 46.195 45.100 0.012 0.000 0.777 223 G HN 0.338 nan 8.290 nan 0.000 0.602 224 P HA 0.050 nan 4.420 nan 0.000 0.236 224 P C 1.134 178.437 177.300 0.005 0.000 1.172 224 P CA 1.429 64.532 63.100 0.006 0.000 0.759 224 P CB -0.051 31.652 31.700 0.004 0.000 0.843 225 A N -0.819 122.005 122.820 0.008 0.000 2.275 225 A HA 0.046 4.366 4.320 -0.001 0.000 0.212 225 A C 0.815 178.397 177.584 -0.004 0.000 1.201 225 A CA 0.031 52.070 52.037 0.003 0.000 0.843 225 A CB -0.478 18.528 19.000 0.010 0.000 0.873 225 A HN -0.008 nan 8.150 nan 0.000 0.492 226 Q N -0.287 119.514 119.800 0.001 0.000 2.431 226 Q HA -0.189 4.150 4.340 -0.001 0.000 0.344 226 Q C -0.479 175.514 176.000 -0.012 0.000 1.384 226 Q CA 0.747 56.550 55.803 0.000 0.000 0.984 226 Q CB -2.057 26.680 28.738 -0.002 0.000 1.204 226 Q HN 0.700 nan 8.270 nan 0.000 0.392 227 L N -0.191 121.025 121.223 -0.012 0.000 2.452 227 L HA 0.044 4.383 4.340 -0.001 0.000 0.267 227 L C 1.586 178.431 176.870 -0.042 0.000 1.188 227 L CA -0.194 54.617 54.840 -0.049 0.000 0.821 227 L CB 0.300 42.339 42.059 -0.033 0.000 1.102 227 L HN 0.032 nan 8.230 nan 0.000 0.470 228 D N 0.239 120.559 120.400 -0.133 0.000 2.234 228 D HA 0.012 4.652 4.640 -0.001 0.000 0.205 228 D C -0.640 175.753 176.300 0.155 0.000 0.962 228 D CA 1.079 55.046 54.000 -0.056 0.000 0.855 228 D CB 0.295 40.966 40.800 -0.215 0.000 0.951 228 D HN 0.496 nan 8.370 nan 0.000 0.500 229 W N -0.797 120.502 121.300 -0.001 0.000 3.319 229 W HA 0.369 5.028 4.660 -0.001 0.000 0.300 229 W C -2.422 174.122 176.519 0.041 0.000 1.244 229 W CA -1.048 56.311 57.345 0.023 0.000 1.193 229 W CB 0.103 29.570 29.460 0.012 0.000 1.359 229 W HN -0.301 nan 8.180 nan 0.000 0.568 230 L N 3.332 124.824 121.223 0.449 0.000 2.280 230 L HA 0.442 4.781 4.340 -0.001 0.000 0.287 230 L C 0.051 177.178 176.870 0.428 0.000 1.023 230 L CA -0.625 54.426 54.840 0.352 0.000 0.819 230 L CB 1.319 43.548 42.059 0.282 0.000 1.212 230 L HN 0.721 nan 8.230 nan 0.000 0.420 231 E N 4.420 124.872 120.200 0.419 0.000 2.249 231 E HA 0.093 4.442 4.350 -0.001 0.000 0.280 231 E C -0.338 176.370 176.600 0.179 0.000 1.016 231 E CA -0.376 56.215 56.400 0.318 0.000 0.830 231 E CB 0.708 30.632 29.700 0.374 0.000 1.081 231 E HN 0.529 nan 8.360 nan 0.000 0.395 232 E N 2.837 123.162 120.200 0.209 0.000 2.103 232 E HA -0.192 4.157 4.350 -0.001 0.000 0.186 232 E C -1.826 174.828 176.600 0.089 0.000 1.392 232 E CA 0.044 56.574 56.400 0.217 0.000 0.691 232 E CB -0.458 29.307 29.700 0.108 0.000 1.068 232 E HN 0.513 nan 8.360 nan 0.000 0.328 233 P HA -0.091 nan 4.420 nan 0.000 0.222 233 P C 0.609 177.899 177.300 -0.017 0.000 1.153 233 P CA 1.097 64.231 63.100 0.057 0.000 0.798 233 P CB 0.414 32.264 31.700 0.251 0.000 0.796 234 L N -1.048 120.062 121.223 -0.187 0.000 2.301 234 L HA 0.460 4.800 4.340 -0.001 0.000 0.264 234 L C 0.844 177.731 176.870 0.028 0.000 1.016 234 L CA -1.495 53.197 54.840 -0.247 0.000 0.821 234 L CB 1.672 43.270 42.059 -0.769 0.000 1.346 234 L HN -0.328 nan 8.230 nan 0.000 0.429 235 R N 0.226 120.749 120.500 0.039 0.000 2.590 235 R HA 0.163 4.502 4.340 -0.001 0.000 0.274 235 R C 0.945 177.413 176.300 0.279 0.000 1.061 235 R CA 0.252 56.418 56.100 0.110 0.000 1.081 235 R CB 0.623 30.952 30.300 0.048 0.000 0.984 235 R HN 0.821 nan 8.270 nan 0.000 0.448 236 A N 2.486 125.428 122.820 0.204 0.000 2.076 236 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 236 A C 1.392 179.049 177.584 0.121 0.000 1.160 236 A CA 1.508 53.630 52.037 0.142 0.000 0.653 236 A CB -0.244 18.745 19.000 -0.019 0.000 0.801 236 A HN 0.722 nan 8.150 nan 0.000 0.455 237 D N -0.144 120.324 120.400 0.114 0.000 2.117 237 D HA -0.061 4.579 4.640 -0.001 0.000 0.198 237 D C 0.675 177.051 176.300 0.127 0.000 0.982 237 D CA 0.384 54.430 54.000 0.077 0.000 0.828 237 D CB -0.218 40.608 40.800 0.044 0.000 0.967 237 D HN 0.185 nan 8.370 nan 0.000 0.464 238 R N 1.756 122.367 120.500 0.186 0.000 2.547 238 R HA -0.040 4.300 4.340 -0.001 0.000 0.269 238 R C -1.995 174.443 176.300 0.231 0.000 0.968 238 R CA -0.339 55.858 56.100 0.163 0.000 1.101 238 R CB -0.981 29.354 30.300 0.058 0.000 0.898 238 R HN 0.229 nan 8.270 nan 0.000 0.416 239 P HA 0.041 nan 4.420 nan 0.000 0.274 239 P C 0.151 177.569 177.300 0.197 0.000 1.231 239 P CA -0.063 63.111 63.100 0.124 0.000 0.790 239 P CB 0.581 32.317 31.700 0.061 0.000 0.951 240 A N 3.028 125.937 122.820 0.148 0.000 1.971 240 A HA -0.257 4.062 4.320 -0.001 0.000 0.222 240 A C 2.287 179.967 177.584 0.159 0.000 1.182 240 A CA 2.675 54.806 52.037 0.157 0.000 0.649 240 A CB -1.704 17.335 19.000 0.066 0.000 0.818 240 A HN 0.628 nan 8.150 nan 0.000 0.458 241 A N -0.290 122.588 122.820 0.096 0.000 1.908 241 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 241 A C 1.925 179.540 177.584 0.052 0.000 1.181 241 A CA 1.768 53.843 52.037 0.063 0.000 0.627 241 A CB -0.550 18.471 19.000 0.034 0.000 0.818 241 A HN 0.707 nan 8.150 nan 0.000 0.445 242 E N -1.676 118.546 120.200 0.035 0.000 2.107 242 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 242 E C 1.838 178.379 176.600 -0.097 0.000 0.982 242 E CA 1.144 57.506 56.400 -0.064 0.000 0.809 242 E CB -0.244 29.371 29.700 -0.142 0.000 0.756 242 E HN 0.881 nan 8.360 nan 0.000 0.459 243 W N 1.192 122.493 121.300 0.002 0.000 2.388 243 W HA -0.047 4.612 4.660 -0.001 0.000 0.294 243 W C 2.619 179.143 176.519 0.008 0.000 1.212 243 W CA 1.052 58.400 57.345 0.006 0.000 1.271 243 W CB -0.222 29.235 29.460 -0.006 0.000 1.126 243 W HN 0.069 nan 8.180 nan 0.000 0.535 244 A N -0.049 122.902 122.820 0.218 0.000 1.902 244 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 244 A C 1.898 179.530 177.584 0.080 0.000 1.181 244 A CA 1.910 54.025 52.037 0.130 0.000 0.623 244 A CB -0.846 18.209 19.000 0.091 0.000 0.818 244 A HN 0.397 nan 8.150 nan 0.000 0.443 245 E N -0.589 119.639 120.200 0.048 0.000 2.047 245 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 245 E C 1.936 178.539 176.600 0.005 0.000 0.987 245 E CA 1.336 57.745 56.400 0.014 0.000 0.799 245 E CB -0.194 29.500 29.700 -0.011 0.000 0.752 245 E HN 0.429 nan 8.360 nan 0.000 0.449 246 L N 0.960 122.174 121.223 -0.015 0.000 2.083 246 L HA -0.079 4.260 4.340 -0.001 0.000 0.209 246 L C 2.232 179.123 176.870 0.036 0.000 1.083 246 L CA 2.078 56.903 54.840 -0.026 0.000 0.752 246 L CB -0.664 41.330 42.059 -0.108 0.000 0.899 246 L HN 0.171 nan 8.230 nan 0.000 0.433 247 A N -0.981 121.891 122.820 0.087 0.000 1.902 247 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 247 A C 2.170 179.797 177.584 0.072 0.000 1.181 247 A CA 1.918 54.021 52.037 0.110 0.000 0.623 247 A CB -0.536 18.547 19.000 0.139 0.000 0.818 247 A HN 0.677 nan 8.150 nan 0.000 0.443 248 Q N -0.843 118.988 119.800 0.053 0.000 2.172 248 Q HA 0.048 4.387 4.340 -0.001 0.000 0.200 248 Q C 2.296 178.311 176.000 0.025 0.000 0.964 248 Q CA 1.109 56.934 55.803 0.037 0.000 0.855 248 Q CB -0.293 28.462 28.738 0.028 0.000 0.918 248 Q HN 0.666 nan 8.270 nan 0.000 0.444 249 A N 1.246 124.076 122.820 0.016 0.000 2.016 249 A HA 0.224 4.543 4.320 -0.001 0.000 0.217 249 A C 1.234 178.822 177.584 0.007 0.000 1.162 249 A CA 0.561 52.599 52.037 0.002 0.000 0.662 249 A CB -0.241 18.749 19.000 -0.017 0.000 0.812 249 A HN 0.303 nan 8.150 nan 0.000 0.450 250 A N 0.758 123.593 122.820 0.024 0.000 2.450 250 A HA 0.480 4.799 4.320 -0.001 0.000 0.255 250 A C -0.810 176.800 177.584 0.043 0.000 1.096 250 A CA -0.829 51.230 52.037 0.037 0.000 0.778 250 A CB 0.179 19.221 19.000 0.069 0.000 1.031 250 A HN 0.289 nan 8.150 nan 0.000 0.494 251 P HA -0.004 nan 4.420 nan 0.000 0.231 251 P C 0.239 177.571 177.300 0.054 0.000 1.168 251 P CA 0.815 63.938 63.100 0.037 0.000 0.779 251 P CB 0.016 31.731 31.700 0.025 0.000 0.844 252 M N -0.331 119.313 119.600 0.073 0.000 2.664 252 M HA 0.635 5.115 4.480 -0.001 0.000 0.314 252 M C -3.194 173.183 176.300 0.129 0.000 1.200 252 M CA -2.879 52.479 55.300 0.097 0.000 0.916 252 M CB 1.090 33.752 32.600 0.103 0.000 1.717 252 M HN -0.361 nan 8.290 nan 0.000 0.470 253 P HA 0.333 nan 4.420 nan 0.000 0.274 253 P C -0.982 176.447 177.300 0.214 0.000 1.231 253 P CA -0.400 62.799 63.100 0.164 0.000 0.790 253 P CB 0.666 32.459 31.700 0.154 0.000 0.951 254 L N 1.408 122.744 121.223 0.189 0.000 2.357 254 L HA 0.626 4.965 4.340 -0.001 0.000 0.273 254 L C 0.627 177.567 176.870 0.116 0.000 1.080 254 L CA -0.353 54.623 54.840 0.226 0.000 0.803 254 L CB 0.556 42.798 42.059 0.305 0.000 1.174 254 L HN 0.515 nan 8.230 nan 0.000 0.443 255 A N 0.934 123.808 122.820 0.090 0.000 2.413 255 A HA 0.986 5.305 4.320 -0.001 0.000 0.307 255 A C -0.302 177.256 177.584 -0.042 0.000 1.087 255 A CA 0.106 52.059 52.037 -0.140 0.000 0.750 255 A CB 1.801 20.457 19.000 -0.572 0.000 1.296 255 A HN 0.835 nan 8.150 nan 0.000 0.423 256 G N -1.663 107.072 108.800 -0.108 0.000 2.506 256 G HA2 0.633 4.592 3.960 -0.001 0.000 0.292 256 G HA3 0.633 4.592 3.960 -0.001 0.000 0.292 256 G C 0.115 174.979 174.900 -0.060 0.000 1.425 256 G CA 0.524 45.573 45.100 -0.086 0.000 0.788 256 G HN 2.190 nan 8.290 nan 0.000 0.490 257 G N -0.621 108.152 108.800 -0.044 0.000 3.110 257 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.205 257 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.205 257 G C 1.040 175.978 174.900 0.065 0.000 1.019 257 G CA 1.161 46.293 45.100 0.053 0.000 0.826 257 G HN 1.137 nan 8.290 nan 0.000 0.481 258 E N 1.492 121.730 120.200 0.062 0.000 2.160 258 E HA -0.060 4.289 4.350 -0.001 0.000 0.195 258 E C 1.326 177.897 176.600 -0.047 0.000 0.991 258 E CA 2.004 58.436 56.400 0.053 0.000 0.810 258 E CB -0.432 29.382 29.700 0.190 0.000 0.742 258 E HN 0.637 nan 8.360 nan 0.000 0.466 259 N N -0.567 118.090 118.700 -0.073 0.000 2.401 259 N HA 0.298 5.037 4.740 -0.001 0.000 0.264 259 N C -1.064 174.323 175.510 -0.205 0.000 1.238 259 N CA -0.191 52.782 53.050 -0.129 0.000 0.889 259 N CB 0.849 39.281 38.487 -0.092 0.000 1.196 259 N HN 0.072 nan 8.380 nan 0.000 0.511 260 I N 1.077 121.485 120.570 -0.270 0.000 2.436 260 I HA 0.633 4.802 4.170 -0.001 0.000 0.289 260 I C -0.688 175.137 176.117 -0.486 0.000 1.010 260 I CA -0.896 60.086 61.300 -0.530 0.000 1.098 260 I CB 1.811 39.249 38.000 -0.936 0.000 1.266 260 I HN -0.033 nan 8.210 nan 0.000 0.434 261 A N 4.678 127.172 122.820 -0.544 0.000 2.398 261 A HA 0.942 5.262 4.320 -0.001 0.000 0.301 261 A C -0.190 176.782 177.584 -1.019 0.000 1.041 261 A CA -0.225 51.375 52.037 -0.729 0.000 0.711 261 A CB 1.646 20.437 19.000 -0.348 0.000 1.240 261 A HN 1.124 nan 8.150 nan 0.000 0.420 262 G N 0.001 107.631 108.800 -1.949 0.000 2.617 262 G HA2 0.221 4.181 3.960 -0.001 0.000 0.686 262 G HA3 0.221 4.181 3.960 -0.001 0.000 0.686 262 G C 0.279 174.882 174.900 -0.495 0.000 1.214 262 G CA -0.280 44.290 45.100 -0.883 0.000 0.796 262 G HN 1.429 nan 8.290 nan 0.000 0.654 263 V N 1.543 121.449 119.914 -0.013 0.000 2.295 263 V HA -0.099 4.020 4.120 -0.001 0.000 0.246 263 V C 3.374 179.481 176.094 0.022 0.000 1.049 263 V CA 3.482 65.850 62.300 0.114 0.000 1.024 263 V CB -1.237 30.702 31.823 0.195 0.000 0.648 263 V HN 1.779 nan 8.190 nan 0.000 0.447 264 A N 0.009 122.811 122.820 -0.030 0.000 1.908 264 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 264 A C 2.423 179.930 177.584 -0.129 0.000 1.181 264 A CA 2.235 54.237 52.037 -0.059 0.000 0.627 264 A CB -0.807 18.159 19.000 -0.058 0.000 0.818 264 A HN 0.592 nan 8.150 nan 0.000 0.445 265 A N -1.393 121.286 122.820 -0.235 0.000 1.902 265 A HA 0.010 4.329 4.320 -0.001 0.000 0.217 265 A C 1.924 179.239 177.584 -0.449 0.000 1.181 265 A CA 1.510 53.321 52.037 -0.377 0.000 0.623 265 A CB -0.685 17.994 19.000 -0.535 0.000 0.818 265 A HN 0.461 nan 8.150 nan 0.000 0.443 266 F N 0.308 120.112 119.950 -0.242 0.000 2.259 266 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 266 F C 2.384 178.107 175.800 -0.127 0.000 1.088 266 F CA 1.474 59.361 58.000 -0.188 0.000 1.358 266 F CB -0.214 38.681 39.000 -0.174 0.000 1.040 266 F HN 0.325 nan 8.300 nan 0.000 0.505 267 E N -0.751 119.470 120.200 0.035 0.000 2.106 267 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 267 E C 2.088 178.667 176.600 -0.035 0.000 0.984 267 E CA 1.632 58.039 56.400 0.012 0.000 0.806 267 E CB -0.369 29.337 29.700 0.010 0.000 0.750 267 E HN 0.263 nan 8.360 nan 0.000 0.458 268 T N 0.855 115.359 114.554 -0.084 0.000 2.788 268 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 268 T C 1.959 176.586 174.700 -0.121 0.000 1.044 268 T CA 1.177 63.216 62.100 -0.101 0.000 1.139 268 T CB -0.130 68.657 68.868 -0.134 0.000 0.867 268 T HN 0.243 nan 8.240 nan 0.000 0.454 269 A N 0.887 123.606 122.820 -0.167 0.000 1.898 269 A HA 0.060 4.379 4.320 -0.001 0.000 0.216 269 A C 2.161 179.692 177.584 -0.088 0.000 1.181 269 A CA 0.999 52.925 52.037 -0.185 0.000 0.620 269 A CB -0.660 18.186 19.000 -0.255 0.000 0.819 269 A HN 0.384 nan 8.150 nan 0.000 0.442 270 L N -0.423 120.779 121.223 -0.035 0.000 2.156 270 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 270 L C 2.670 179.533 176.870 -0.012 0.000 1.095 270 L CA 1.698 56.535 54.840 -0.004 0.000 0.770 270 L CB -0.670 41.403 42.059 0.023 0.000 0.914 270 L HN 0.350 nan 8.230 nan 0.000 0.439 271 A N -1.170 121.637 122.820 -0.021 0.000 2.015 271 A HA 0.019 4.338 4.320 -0.001 0.000 0.219 271 A C 2.294 179.870 177.584 -0.014 0.000 1.163 271 A CA 1.545 53.572 52.037 -0.016 0.000 0.646 271 A CB -0.617 18.370 19.000 -0.021 0.000 0.806 271 A HN 0.468 nan 8.150 nan 0.000 0.448 272 A N -1.650 121.156 122.820 -0.024 0.000 1.973 272 A HA 0.331 4.650 4.320 -0.001 0.000 0.210 272 A C 1.255 178.839 177.584 0.001 0.000 1.200 272 A CA 0.670 52.700 52.037 -0.010 0.000 0.707 272 A CB -0.011 18.978 19.000 -0.019 0.000 0.862 272 A HN 0.438 nan 8.150 nan 0.000 0.461 273 R N -0.549 119.945 120.500 -0.010 0.000 3.651 273 R HA -0.146 4.193 4.340 -0.001 0.000 0.292 273 R C 0.922 177.235 176.300 0.022 0.000 1.161 273 R CA 0.555 56.657 56.100 0.004 0.000 0.787 273 R CB -2.517 27.792 30.300 0.015 0.000 1.249 273 R HN 0.429 nan 8.270 nan 0.000 0.476 274 S N 0.046 115.759 115.700 0.020 0.000 2.425 274 S HA 0.105 4.574 4.470 -0.001 0.000 0.225 274 S C 0.894 175.545 174.600 0.084 0.000 1.024 274 S CA 0.445 58.696 58.200 0.086 0.000 0.951 274 S CB 0.246 63.538 63.200 0.153 0.000 0.796 274 S HN 0.248 nan 8.310 nan 0.000 0.498 275 L N 2.007 123.223 121.223 -0.013 0.000 2.265 275 L HA 0.395 4.734 4.340 -0.001 0.000 0.288 275 L C 1.122 177.985 176.870 -0.011 0.000 1.058 275 L CA -0.247 54.574 54.840 -0.032 0.000 0.809 275 L CB 0.986 42.953 42.059 -0.154 0.000 1.179 275 L HN 0.041 nan 8.230 nan 0.000 0.429 276 R N 1.954 122.462 120.500 0.013 0.000 2.312 276 R HA 0.221 4.560 4.340 -0.001 0.000 0.205 276 R C -0.546 175.744 176.300 -0.017 0.000 0.904 276 R CA 0.116 56.226 56.100 0.017 0.000 1.052 276 R CB 0.780 31.110 30.300 0.050 0.000 1.014 276 R HN 0.353 nan 8.270 nan 0.000 0.503 277 V N 1.948 121.811 119.914 -0.086 0.000 2.380 277 V HA 0.277 4.396 4.120 -0.001 0.000 0.286 277 V C -0.654 175.324 176.094 -0.192 0.000 1.015 277 V CA -0.626 61.551 62.300 -0.204 0.000 0.834 277 V CB 1.554 33.084 31.823 -0.488 0.000 1.009 277 V HN 0.072 nan 8.190 nan 0.000 0.428 278 M N 3.980 123.542 119.600 -0.063 0.000 2.233 278 M HA 0.460 4.939 4.480 -0.001 0.000 0.355 278 M C 0.118 176.460 176.300 0.070 0.000 1.191 278 M CA 0.425 55.745 55.300 0.034 0.000 1.101 278 M CB 1.382 34.057 32.600 0.125 0.000 1.592 278 M HN 0.569 nan 8.290 nan 0.000 0.461 279 Q N 4.002 123.851 119.800 0.082 0.000 2.928 279 Q HA 0.316 4.655 4.340 -0.001 0.000 0.353 279 Q C -2.406 173.661 176.000 0.111 0.000 0.870 279 Q CA -1.708 54.132 55.803 0.061 0.000 0.963 279 Q CB 0.414 29.160 28.738 0.014 0.000 1.419 279 Q HN 0.373 nan 8.270 nan 0.000 0.396 280 P HA -0.053 nan 4.420 nan 0.000 0.271 280 P C -0.566 176.792 177.300 0.098 0.000 1.226 280 P CA 0.109 63.312 63.100 0.171 0.000 0.765 280 P CB 0.963 32.573 31.700 -0.151 0.000 0.835 281 D N 3.826 124.276 120.400 0.083 0.000 2.393 281 D HA 0.043 4.683 4.640 -0.001 0.000 0.232 281 D C 1.413 177.747 176.300 0.056 0.000 1.192 281 D CA -0.336 53.691 54.000 0.045 0.000 0.882 281 D CB 0.497 41.309 40.800 0.020 0.000 1.038 281 D HN 0.332 nan 8.370 nan 0.000 0.499 282 L N 2.277 123.482 121.223 -0.029 0.000 2.353 282 L HA 0.018 4.358 4.340 -0.001 0.000 0.220 282 L C 1.487 178.238 176.870 -0.199 0.000 1.133 282 L CA 1.164 55.897 54.840 -0.179 0.000 0.798 282 L CB 0.006 41.856 42.059 -0.348 0.000 0.922 282 L HN 0.280 nan 8.230 nan 0.000 0.445 283 A N -0.343 122.429 122.820 -0.080 0.000 2.238 283 A HA 0.037 4.356 4.320 -0.001 0.000 0.210 283 A C 2.274 179.964 177.584 0.176 0.000 1.179 283 A CA 0.473 52.506 52.037 -0.006 0.000 0.827 283 A CB -0.111 18.867 19.000 -0.036 0.000 0.856 283 A HN 0.462 nan 8.150 nan 0.000 0.488 284 K N -2.680 117.799 120.400 0.133 0.000 2.244 284 K HA 0.124 4.443 4.320 -0.001 0.000 0.200 284 K C -0.297 176.402 176.600 0.166 0.000 1.052 284 K CA 0.353 56.681 56.287 0.068 0.000 0.980 284 K CB 0.310 32.679 32.500 -0.218 0.000 0.838 284 K HN 0.509 nan 8.250 nan 0.000 0.481 285 W N -1.053 120.238 121.300 -0.015 0.000 3.372 285 W HA 0.329 4.989 4.660 -0.001 0.000 0.315 285 W C 0.274 176.775 176.519 -0.030 0.000 1.223 285 W CA 0.161 57.524 57.345 0.029 0.000 1.202 285 W CB 1.055 30.559 29.460 0.075 0.000 1.367 285 W HN 0.260 nan 8.180 nan 0.000 0.531 286 G N 2.463 110.257 108.800 -1.677 0.000 2.451 286 G HA2 0.005 3.964 3.960 -0.001 0.000 0.253 286 G HA3 0.005 3.964 3.960 -0.001 0.000 0.253 286 G C 1.265 175.383 174.900 -1.302 0.000 1.033 286 G CA 1.550 45.475 45.100 -1.959 0.000 0.633 286 G HN 2.272 nan 8.290 nan 0.000 0.537 287 G N -0.869 107.463 108.800 -0.780 0.000 2.601 287 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.261 287 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.261 287 G C 0.619 175.145 174.900 -0.623 0.000 1.289 287 G CA 0.658 45.370 45.100 -0.647 0.000 0.920 287 G HN 0.995 nan 8.290 nan 0.000 0.571 288 F N 0.969 120.737 119.950 -0.302 0.000 2.113 288 F HA -0.021 4.505 4.527 -0.001 0.000 0.297 288 F C 3.227 178.866 175.800 -0.269 0.000 1.103 288 F CA 2.124 60.009 58.000 -0.192 0.000 1.248 288 F CB -0.890 38.087 39.000 -0.039 0.000 0.999 288 F HN 0.372 nan 8.300 nan 0.000 0.475 289 S N 0.031 115.620 115.700 -0.186 0.000 2.372 289 S HA -0.221 4.248 4.470 -0.001 0.000 0.227 289 S C 2.401 176.767 174.600 -0.390 0.000 1.044 289 S CA 1.532 59.564 58.200 -0.280 0.000 1.050 289 S CB -1.199 61.762 63.200 -0.399 0.000 0.901 289 S HN 0.532 nan 8.310 nan 0.000 0.447 290 G N -0.260 108.068 108.800 -0.786 0.000 2.411 290 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.213 290 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.213 290 G C 1.505 176.218 174.900 -0.312 0.000 1.166 290 G CA 0.838 45.551 45.100 -0.645 0.000 0.802 290 G HN 0.585 nan 8.290 nan 0.000 0.533 291 C N 0.149 119.232 119.300 -0.361 0.000 2.467 291 C HA 0.141 4.600 4.460 -0.001 0.000 0.279 291 C C 2.630 177.500 174.990 -0.200 0.000 1.347 291 C CA 0.255 59.140 59.018 -0.223 0.000 1.748 291 C CB -0.748 26.860 27.740 -0.220 0.000 1.977 291 C HN 0.417 nan 8.230 nan 0.000 0.501 292 L N 2.511 123.668 121.223 -0.109 0.000 1.989 292 L HA -0.056 4.283 4.340 -0.001 0.000 0.211 292 L C -0.632 176.169 176.870 -0.116 0.000 1.071 292 L CA 2.501 57.300 54.840 -0.067 0.000 0.749 292 L CB -1.884 40.184 42.059 0.016 0.000 0.890 292 L HN 0.109 nan 8.230 nan 0.000 0.431 293 P HA -0.176 nan 4.420 nan 0.000 0.213 293 P C 2.126 179.360 177.300 -0.109 0.000 1.170 293 P CA 2.109 65.169 63.100 -0.068 0.000 0.898 293 P CB -0.291 31.400 31.700 -0.016 0.000 0.787 294 V N -0.340 119.488 119.914 -0.144 0.000 2.392 294 V HA -0.269 3.850 4.120 -0.001 0.000 0.249 294 V C 2.037 177.945 176.094 -0.310 0.000 1.059 294 V CA 2.532 64.696 62.300 -0.227 0.000 1.051 294 V CB -1.546 30.018 31.823 -0.432 0.000 0.658 294 V HN 0.077 nan 8.190 nan 0.000 0.455 295 A N 0.062 122.624 122.820 -0.430 0.000 1.898 295 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 295 A C 2.364 179.736 177.584 -0.354 0.000 1.181 295 A CA 1.735 53.369 52.037 -0.671 0.000 0.620 295 A CB -0.596 17.760 19.000 -1.073 0.000 0.819 295 A HN 0.605 nan 8.150 nan 0.000 0.442 296 R N -0.637 119.735 120.500 -0.214 0.000 2.075 296 R HA -0.042 4.297 4.340 -0.001 0.000 0.232 296 R C 2.489 178.744 176.300 -0.075 0.000 1.126 296 R CA 1.124 57.160 56.100 -0.105 0.000 0.963 296 R CB -0.415 29.843 30.300 -0.069 0.000 0.858 296 R HN 0.505 nan 8.270 nan 0.000 0.435 297 A N 0.569 123.340 122.820 -0.081 0.000 1.933 297 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 297 A C 2.306 179.868 177.584 -0.036 0.000 1.175 297 A CA 1.357 53.366 52.037 -0.046 0.000 0.628 297 A CB -0.502 18.475 19.000 -0.038 0.000 0.814 297 A HN 0.124 nan 8.150 nan 0.000 0.444 298 V N -0.486 119.391 119.914 -0.062 0.000 2.295 298 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 298 V C 2.572 178.670 176.094 0.008 0.000 1.049 298 V CA 2.045 64.331 62.300 -0.023 0.000 1.024 298 V CB -0.624 31.182 31.823 -0.029 0.000 0.648 298 V HN 0.384 nan 8.190 nan 0.000 0.447 299 V N 0.159 120.077 119.914 0.006 0.000 2.427 299 V HA -0.179 3.940 4.120 -0.001 0.000 0.248 299 V C 2.653 178.760 176.094 0.022 0.000 1.051 299 V CA 1.764 64.085 62.300 0.035 0.000 1.048 299 V CB -1.013 30.839 31.823 0.049 0.000 0.666 299 V HN 0.549 nan 8.190 nan 0.000 0.456 300 A N 0.155 122.979 122.820 0.007 0.000 1.972 300 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 300 A C 2.174 179.764 177.584 0.010 0.000 1.169 300 A CA 1.626 53.667 52.037 0.007 0.000 0.635 300 A CB -0.557 18.442 19.000 -0.001 0.000 0.810 300 A HN 0.587 nan 8.150 nan 0.000 0.446 301 A N -1.386 121.440 122.820 0.010 0.000 2.261 301 A HA 0.407 4.726 4.320 -0.001 0.000 0.208 301 A C 1.697 179.292 177.584 0.019 0.000 1.223 301 A CA 1.090 53.135 52.037 0.013 0.000 0.833 301 A CB -1.276 17.730 19.000 0.011 0.000 0.830 301 A HN 1.875 nan 8.150 nan 0.000 0.483 302 G N -1.493 107.320 108.800 0.023 0.000 2.143 302 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.248 302 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.248 302 G C 0.082 175.002 174.900 0.033 0.000 0.991 302 G CA 0.615 45.732 45.100 0.028 0.000 0.689 302 G HN 0.471 nan 8.290 nan 0.000 0.522 303 L N -1.184 120.060 121.223 0.034 0.000 2.335 303 L HA 0.694 5.033 4.340 -0.001 0.000 0.268 303 L C 0.977 177.878 176.870 0.052 0.000 1.016 303 L CA -1.279 53.584 54.840 0.038 0.000 0.805 303 L CB 1.323 43.400 42.059 0.029 0.000 1.311 303 L HN 0.127 nan 8.230 nan 0.000 0.456 304 R N 0.385 120.913 120.500 0.046 0.000 2.294 304 R HA 0.259 4.598 4.340 -0.001 0.000 0.319 304 R C -1.607 174.734 176.300 0.069 0.000 0.984 304 R CA -0.514 55.619 56.100 0.054 0.000 0.861 304 R CB 0.913 31.234 30.300 0.035 0.000 1.104 304 R HN 0.447 nan 8.270 nan 0.000 0.451 305 Y N 5.011 125.291 120.300 -0.032 0.000 2.417 305 Y HA 0.358 4.907 4.550 -0.001 0.000 0.336 305 Y C -1.358 174.529 175.900 -0.021 0.000 0.961 305 Y CA -1.286 56.789 58.100 -0.043 0.000 1.215 305 Y CB 0.750 39.196 38.460 -0.023 0.000 1.120 305 Y HN 0.528 nan 8.280 nan 0.000 0.499 306 C N 9.953 128.991 119.300 -0.437 0.000 2.437 306 C HA 0.448 4.907 4.460 -0.001 0.000 0.307 306 C C -2.271 172.526 174.990 -0.322 0.000 1.093 306 C CA -1.345 57.443 59.018 -0.382 0.000 1.463 306 C CB 0.437 28.065 27.740 -0.187 0.000 1.926 306 C HN 0.665 nan 8.230 nan 0.000 0.420 307 P HA 0.521 nan 4.420 nan 0.000 0.279 307 P C -1.181 176.155 177.300 0.060 0.000 1.276 307 P CA 0.058 63.044 63.100 -0.190 0.000 0.801 307 P CB 1.107 32.700 31.700 -0.178 0.000 1.127 308 H N -2.809 116.340 119.070 0.131 0.000 3.085 308 H HA 0.595 5.151 4.556 -0.001 0.000 0.356 308 H C -2.211 173.242 175.328 0.208 0.000 1.178 308 H CA -0.869 55.254 56.048 0.126 0.000 1.214 308 H CB 0.467 30.321 29.762 0.153 0.000 1.881 308 H HN 0.319 nan 8.280 nan 0.000 0.538 309 Y N 3.531 123.954 120.300 0.205 0.000 2.346 309 Y HA 0.387 4.936 4.550 -0.001 0.000 0.332 309 Y C -1.021 174.988 175.900 0.183 0.000 0.985 309 Y CA -1.442 56.779 58.100 0.201 0.000 1.112 309 Y CB 1.540 40.068 38.460 0.112 0.000 1.170 309 Y HN 0.732 nan 8.280 nan 0.000 0.447 310 L N 5.870 126.847 121.223 -0.409 0.000 2.872 310 L HA 0.420 4.759 4.340 -0.001 0.000 0.245 310 L C 0.989 177.613 176.870 -0.410 0.000 1.211 310 L CA 0.299 54.981 54.840 -0.263 0.000 1.013 310 L CB -0.675 41.339 42.059 -0.075 0.000 1.326 310 L HN 0.803 nan 8.230 nan 0.000 0.525 311 G N -0.475 107.842 108.800 -0.805 0.000 2.945 311 G HA2 0.630 4.589 3.960 -0.001 0.000 0.156 311 G HA3 0.630 4.589 3.960 -0.001 0.000 0.156 311 G C -0.075 174.870 174.900 0.074 0.000 1.375 311 G CA 0.218 45.123 45.100 -0.325 0.000 1.039 311 G HN 0.274 nan 8.290 nan 0.000 0.586 312 A N -1.255 121.711 122.820 0.243 0.000 2.280 312 A HA 0.550 4.869 4.320 -0.001 0.000 0.268 312 A C 1.870 179.555 177.584 0.168 0.000 1.111 312 A CA 0.699 52.818 52.037 0.137 0.000 0.814 312 A CB -0.052 18.994 19.000 0.078 0.000 1.093 312 A HN 1.296 nan 8.150 nan 0.000 0.498 313 G N -0.446 108.382 108.800 0.046 0.000 2.446 313 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.217 313 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.217 313 G C 1.224 176.139 174.900 0.024 0.000 1.168 313 G CA 1.345 46.461 45.100 0.027 0.000 0.771 313 G HN 0.546 nan 8.290 nan 0.000 0.551 314 I N 1.938 122.505 120.570 -0.004 0.000 2.151 314 I HA -0.161 4.009 4.170 -0.001 0.000 0.243 314 I C 3.048 179.131 176.117 -0.056 0.000 1.080 314 I CA 1.607 62.901 61.300 -0.010 0.000 1.339 314 I CB -1.608 36.397 38.000 0.008 0.000 1.039 314 I HN 0.249 nan 8.210 nan 0.000 0.409 315 G N 0.449 109.149 108.800 -0.167 0.000 2.432 315 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.219 315 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.219 315 G C 1.746 176.357 174.900 -0.483 0.000 1.135 315 G CA 0.498 45.231 45.100 -0.612 0.000 0.767 315 G HN 0.322 nan 8.290 nan 0.000 0.550 316 L N 0.114 121.302 121.223 -0.058 0.000 2.072 316 L HA 0.042 4.381 4.340 -0.001 0.000 0.205 316 L C 2.751 179.654 176.870 0.055 0.000 1.079 316 L CA 1.610 56.519 54.840 0.114 0.000 0.752 316 L CB -0.474 41.697 42.059 0.187 0.000 0.906 316 L HN 0.128 nan 8.230 nan 0.000 0.436 317 Q N -0.292 119.540 119.800 0.053 0.000 2.124 317 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 317 Q C 2.250 178.377 176.000 0.212 0.000 0.977 317 Q CA 1.652 57.516 55.803 0.101 0.000 0.850 317 Q CB -0.480 28.328 28.738 0.116 0.000 0.901 317 Q HN 0.670 nan 8.270 nan 0.000 0.429 318 A N 0.488 123.406 122.820 0.163 0.000 1.930 318 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 318 A C 2.403 180.129 177.584 0.237 0.000 1.175 318 A CA 1.651 53.850 52.037 0.270 0.000 0.627 318 A CB -0.303 18.698 19.000 0.002 0.000 0.815 318 A HN 0.298 nan 8.150 nan 0.000 0.443 319 S N -0.057 115.688 115.700 0.075 0.000 2.387 319 S HA 0.065 4.535 4.470 -0.001 0.000 0.226 319 S C 2.284 176.968 174.600 0.139 0.000 1.026 319 S CA 0.918 59.174 58.200 0.093 0.000 0.972 319 S CB -0.384 62.854 63.200 0.064 0.000 0.814 319 S HN 0.775 nan 8.310 nan 0.000 0.477 320 A N 2.009 124.883 122.820 0.089 0.000 1.902 320 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 320 A C 1.915 179.513 177.584 0.024 0.000 1.181 320 A CA 1.426 53.467 52.037 0.005 0.000 0.623 320 A CB -0.896 18.048 19.000 -0.093 0.000 0.818 320 A HN 0.505 nan 8.150 nan 0.000 0.443 321 H N -1.208 117.990 119.070 0.214 0.000 2.353 321 H HA -0.108 4.447 4.556 -0.001 0.000 0.300 321 H C 2.098 177.613 175.328 0.311 0.000 1.090 321 H CA 1.854 58.069 56.048 0.278 0.000 1.327 321 H CB -0.398 29.528 29.762 0.273 0.000 1.383 321 H HN 0.420 nan 8.280 nan 0.000 0.508 322 L N 0.946 122.470 121.223 0.501 0.000 2.083 322 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 322 L C 2.310 179.401 176.870 0.368 0.000 1.083 322 L CA 1.091 56.205 54.840 0.457 0.000 0.752 322 L CB -0.739 41.601 42.059 0.468 0.000 0.899 322 L HN 0.121 nan 8.230 nan 0.000 0.433 323 L N -0.302 121.103 121.223 0.303 0.000 2.201 323 L HA 0.015 4.354 4.340 -0.001 0.000 0.212 323 L C 2.375 179.341 176.870 0.161 0.000 1.105 323 L CA 1.853 56.836 54.840 0.238 0.000 0.775 323 L CB -0.966 41.135 42.059 0.069 0.000 0.913 323 L HN 0.258 nan 8.230 nan 0.000 0.440 324 A N -0.632 122.264 122.820 0.126 0.000 1.968 324 A HA 0.071 4.390 4.320 -0.001 0.000 0.217 324 A C 2.390 180.050 177.584 0.127 0.000 1.169 324 A CA 1.265 53.324 52.037 0.037 0.000 0.638 324 A CB -0.865 18.085 19.000 -0.084 0.000 0.812 324 A HN 0.516 nan 8.150 nan 0.000 0.446 325 A N -0.827 122.135 122.820 0.236 0.000 2.016 325 A HA 0.277 4.596 4.320 -0.001 0.000 0.217 325 A C 0.852 178.533 177.584 0.163 0.000 1.162 325 A CA 1.287 53.466 52.037 0.236 0.000 0.662 325 A CB -0.122 19.025 19.000 0.246 0.000 0.812 325 A HN 0.495 nan 8.150 nan 0.000 0.450 326 V N 1.615 121.636 119.914 0.179 0.000 2.271 326 V HA 0.160 4.279 4.120 -0.001 0.000 0.259 326 V C -1.552 174.657 176.094 0.193 0.000 1.030 326 V CA -0.811 61.584 62.300 0.159 0.000 0.957 326 V CB 0.835 32.732 31.823 0.125 0.000 1.186 326 V HN 0.329 nan 8.190 nan 0.000 0.471 327 P HA -0.063 nan 4.420 nan 0.000 0.215 327 P C 0.788 178.144 177.300 0.093 0.000 1.157 327 P CA 1.967 65.119 63.100 0.086 0.000 0.874 327 P CB 0.450 32.179 31.700 0.050 0.000 0.790 328 G N -1.451 107.405 108.800 0.094 0.000 2.674 328 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.686 328 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.686 328 G C -0.112 174.823 174.900 0.059 0.000 1.195 328 G CA -0.402 44.750 45.100 0.087 0.000 0.776 328 G HN 0.213 nan 8.290 nan 0.000 0.654 329 L N 1.082 122.337 121.223 0.053 0.000 2.670 329 L HA 0.439 4.778 4.340 -0.001 0.000 0.177 329 L C 3.086 179.980 176.870 0.039 0.000 1.181 329 L CA 0.803 55.667 54.840 0.040 0.000 0.856 329 L CB -1.310 40.770 42.059 0.035 0.000 1.205 329 L HN 0.890 nan 8.230 nan 0.000 0.506 330 A N 0.215 123.060 122.820 0.042 0.000 1.842 330 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 330 A C 1.085 178.696 177.584 0.045 0.000 1.206 330 A CA 1.835 53.897 52.037 0.041 0.000 0.630 330 A CB -0.637 18.389 19.000 0.043 0.000 0.839 330 A HN 0.427 nan 8.150 nan 0.000 0.447 331 S N 0.244 115.977 115.700 0.055 0.000 2.594 331 S HA 0.541 5.010 4.470 -0.001 0.000 0.296 331 S C -2.898 171.740 174.600 0.064 0.000 1.124 331 S CA -1.033 57.203 58.200 0.060 0.000 1.011 331 S CB 1.629 64.874 63.200 0.074 0.000 1.016 331 S HN 0.158 nan 8.310 nan 0.000 0.485 332 P HA 0.114 nan 4.420 nan 0.000 0.261 332 P C 0.382 177.721 177.300 0.065 0.000 1.173 332 P CA 0.240 63.372 63.100 0.053 0.000 0.760 332 P CB 0.164 31.888 31.700 0.040 0.000 0.783 333 G N 2.927 111.760 108.800 0.055 0.000 2.569 333 G HA2 0.469 4.429 3.960 -0.001 0.000 0.249 333 G HA3 0.469 4.429 3.960 -0.001 0.000 0.249 333 G C -0.954 173.980 174.900 0.056 0.000 1.216 333 G CA -0.475 44.643 45.100 0.030 0.000 0.845 333 G HN 0.424 nan 8.290 nan 0.000 0.568 334 L N 1.360 122.645 121.223 0.105 0.000 2.408 334 L HA 0.381 4.720 4.340 -0.001 0.000 0.268 334 L C -0.597 176.430 176.870 0.261 0.000 0.986 334 L CA -1.005 53.962 54.840 0.212 0.000 0.820 334 L CB 2.179 44.433 42.059 0.325 0.000 1.303 334 L HN 0.286 nan 8.230 nan 0.000 0.411 335 L N 2.681 124.013 121.223 0.181 0.000 2.264 335 L HA 0.560 4.899 4.340 -0.001 0.000 0.289 335 L C 0.115 176.969 176.870 -0.026 0.000 1.044 335 L CA 0.080 54.980 54.840 0.100 0.000 0.807 335 L CB 1.292 43.374 42.059 0.039 0.000 1.192 335 L HN 0.700 nan 8.230 nan 0.000 0.425 336 G N 5.260 113.946 108.800 -0.189 0.000 2.339 336 G HA2 0.482 4.441 3.960 -0.001 0.000 0.287 336 G HA3 0.482 4.441 3.960 -0.001 0.000 0.287 336 G C -0.709 173.962 174.900 -0.380 0.000 1.163 336 G CA -0.301 44.247 45.100 -0.920 0.000 0.872 336 G HN 0.487 nan 8.290 nan 0.000 0.464 337 V N 2.876 122.554 119.914 -0.392 0.000 2.513 337 V HA 0.187 4.306 4.120 -0.001 0.000 0.299 337 V C -0.029 175.939 176.094 -0.211 0.000 1.035 337 V CA -1.024 61.177 62.300 -0.164 0.000 0.889 337 V CB 1.808 33.622 31.823 -0.014 0.000 0.988 337 V HN 0.771 nan 8.190 nan 0.000 0.440 338 D N 3.240 123.572 120.400 -0.114 0.000 2.472 338 D HA 0.142 4.781 4.640 -0.001 0.000 0.248 338 D C 1.015 177.246 176.300 -0.114 0.000 1.174 338 D CA 0.687 54.626 54.000 -0.101 0.000 0.883 338 D CB 1.686 42.446 40.800 -0.065 0.000 1.149 338 D HN 0.666 nan 8.370 nan 0.000 0.488 339 A N 4.990 127.735 122.820 -0.124 0.000 2.015 339 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 339 A C 1.096 178.651 177.584 -0.049 0.000 1.163 339 A CA 0.534 52.499 52.037 -0.121 0.000 0.646 339 A CB -0.240 18.705 19.000 -0.091 0.000 0.806 339 A HN 0.640 nan 8.150 nan 0.000 0.448 340 N N 1.560 120.242 118.700 -0.030 0.000 2.467 340 N HA 0.126 4.865 4.740 -0.001 0.000 0.262 340 N C -1.102 174.401 175.510 -0.012 0.000 1.234 340 N CA -0.108 52.935 53.050 -0.011 0.000 0.952 340 N CB 0.323 38.808 38.487 -0.003 0.000 1.158 340 N HN 0.206 nan 8.380 nan 0.000 0.463 341 D N 0.820 121.219 120.400 -0.002 0.000 2.390 341 D HA 0.094 4.733 4.640 -0.001 0.000 0.249 341 D C 0.068 176.351 176.300 -0.029 0.000 1.144 341 D CA 0.594 54.586 54.000 -0.012 0.000 0.880 341 D CB 0.282 41.083 40.800 0.002 0.000 1.182 341 D HN 0.505 nan 8.370 nan 0.000 0.451 342 N N 2.697 121.350 118.700 -0.079 0.000 2.812 342 N HA 0.113 4.852 4.740 -0.001 0.000 0.262 342 N C -2.410 172.962 175.510 -0.229 0.000 1.241 342 N CA -1.202 51.767 53.050 -0.135 0.000 0.854 342 N CB 1.634 40.075 38.487 -0.077 0.000 1.506 342 N HN -0.136 nan 8.380 nan 0.000 0.576 343 P HA -0.115 nan 4.420 nan 0.000 0.218 343 P C 1.341 178.446 177.300 -0.324 0.000 1.148 343 P CA 0.793 63.629 63.100 -0.439 0.000 0.822 343 P CB 0.334 31.568 31.700 -0.777 0.000 0.784 344 L N -1.079 119.964 121.223 -0.300 0.000 2.187 344 L HA -0.171 4.168 4.340 -0.001 0.000 0.213 344 L C 2.693 179.487 176.870 -0.127 0.000 1.100 344 L CA 1.408 56.137 54.840 -0.185 0.000 0.765 344 L CB -0.467 41.537 42.059 -0.092 0.000 0.904 344 L HN 0.022 nan 8.230 nan 0.000 0.437 345 R N -0.606 119.832 120.500 -0.104 0.000 2.074 345 R HA -0.031 4.308 4.340 -0.001 0.000 0.218 345 R C 2.360 178.622 176.300 -0.063 0.000 1.137 345 R CA 1.181 57.252 56.100 -0.049 0.000 0.998 345 R CB -0.115 30.173 30.300 -0.021 0.000 0.895 345 R HN 0.040 nan 8.270 nan 0.000 0.442 346 S N 1.451 117.098 115.700 -0.088 0.000 2.368 346 S HA -0.051 4.418 4.470 -0.001 0.000 0.225 346 S C 1.814 176.358 174.600 -0.094 0.000 1.030 346 S CA 1.213 59.366 58.200 -0.079 0.000 0.999 346 S CB -0.181 62.968 63.200 -0.085 0.000 0.844 346 S HN 0.303 nan 8.310 nan 0.000 0.459 347 L N 0.527 121.672 121.223 -0.131 0.000 2.456 347 L HA 0.077 4.416 4.340 -0.001 0.000 0.224 347 L C 1.242 178.029 176.870 -0.139 0.000 1.148 347 L CA 0.785 55.541 54.840 -0.139 0.000 0.825 347 L CB -0.299 41.655 42.059 -0.175 0.000 0.937 347 L HN 0.280 nan 8.230 nan 0.000 0.450 348 L N -1.413 119.736 121.223 -0.124 0.000 2.906 348 L HA 0.159 4.498 4.340 -0.001 0.000 0.255 348 L C 0.481 177.310 176.870 -0.068 0.000 1.166 348 L CA -0.040 54.729 54.840 -0.119 0.000 0.977 348 L CB 0.470 42.446 42.059 -0.138 0.000 1.313 348 L HN 0.107 nan 8.230 nan 0.000 0.549 349 S N -1.289 114.382 115.700 -0.048 0.000 2.130 349 S HA 0.337 4.806 4.470 -0.001 0.000 0.165 349 S C -1.840 172.746 174.600 -0.023 0.000 1.677 349 S CA -1.042 57.146 58.200 -0.020 0.000 1.227 349 S CB 0.661 63.862 63.200 0.002 0.000 1.115 349 S HN -0.076 nan 8.310 nan 0.000 0.452 350 P HA -0.088 nan 4.420 nan 0.000 0.219 350 P C 1.497 178.785 177.300 -0.020 0.000 1.146 350 P CA 1.208 64.293 63.100 -0.025 0.000 0.808 350 P CB -0.038 31.649 31.700 -0.022 0.000 0.779 351 A N -0.004 122.807 122.820 -0.015 0.000 2.125 351 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 351 A C 2.281 179.844 177.584 -0.035 0.000 1.156 351 A CA 0.925 52.946 52.037 -0.026 0.000 0.671 351 A CB -1.458 17.517 19.000 -0.041 0.000 0.794 351 A HN 0.172 nan 8.150 nan 0.000 0.459 352 L N -1.194 120.011 121.223 -0.030 0.000 2.291 352 L HA -0.089 4.250 4.340 -0.001 0.000 0.214 352 L C 2.712 179.552 176.870 -0.049 0.000 1.120 352 L CA 0.672 55.489 54.840 -0.039 0.000 0.799 352 L CB -0.331 41.717 42.059 -0.017 0.000 0.925 352 L HN 0.427 nan 8.230 nan 0.000 0.446 353 A N -0.352 122.444 122.820 -0.040 0.000 2.239 353 A HA -0.100 4.219 4.320 -0.001 0.000 0.209 353 A C 2.060 179.617 177.584 -0.045 0.000 1.171 353 A CA 1.499 53.511 52.037 -0.041 0.000 0.768 353 A CB -0.649 18.330 19.000 -0.035 0.000 0.790 353 A HN 0.478 nan 8.150 nan 0.000 0.478 354 T N -3.236 111.291 114.554 -0.044 0.000 3.054 354 T HA 0.279 4.628 4.350 -0.001 0.000 0.255 354 T C 0.425 175.107 174.700 -0.030 0.000 1.035 354 T CA -0.326 61.751 62.100 -0.039 0.000 0.941 354 T CB -0.476 68.371 68.868 -0.034 0.000 1.026 354 T HN 0.155 nan 8.240 nan 0.000 0.533 355 L N 3.594 124.784 121.223 -0.056 0.000 2.700 355 L HA 0.329 4.668 4.340 -0.001 0.000 0.272 355 L C -0.689 176.183 176.870 0.005 0.000 1.176 355 L CA 0.534 55.325 54.840 -0.081 0.000 0.961 355 L CB -1.069 40.876 42.059 -0.189 0.000 1.249 355 L HN 0.494 nan 8.230 nan 0.000 0.487 356 H N 4.291 123.292 119.070 -0.115 0.000 2.947 356 H HA 0.255 4.810 4.556 -0.001 0.000 0.354 356 H C -0.172 175.109 175.328 -0.078 0.000 1.085 356 H CA -0.142 55.853 56.048 -0.088 0.000 1.253 356 H CB 0.883 30.607 29.762 -0.063 0.000 1.757 356 H HN 0.714 nan 8.280 nan 0.000 0.523 357 E N 3.544 123.468 120.200 -0.460 0.000 2.513 357 E HA -0.216 4.133 4.350 -0.001 0.000 0.257 357 E C 0.475 176.967 176.600 -0.181 0.000 1.098 357 E CA 1.247 57.432 56.400 -0.358 0.000 0.752 357 E CB -1.484 27.976 29.700 -0.400 0.000 1.324 357 E HN 1.349 nan 8.360 nan 0.000 0.403 358 G N -0.114 108.590 108.800 -0.160 0.000 2.168 358 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.257 358 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.257 358 G C 0.218 175.056 174.900 -0.104 0.000 0.997 358 G CA 1.004 46.024 45.100 -0.134 0.000 0.708 358 G HN 0.449 nan 8.290 nan 0.000 0.520 359 R N -0.734 119.706 120.500 -0.101 0.000 2.867 359 R HA 0.834 5.173 4.340 -0.001 0.000 0.268 359 R C 0.205 176.466 176.300 -0.065 0.000 1.014 359 R CA -0.585 55.473 56.100 -0.070 0.000 0.946 359 R CB 1.725 31.991 30.300 -0.058 0.000 1.208 359 R HN 0.525 nan 8.270 nan 0.000 0.477 360 I N -2.436 118.097 120.570 -0.063 0.000 3.074 360 I HA 0.686 4.855 4.170 -0.001 0.000 0.310 360 I C -0.816 175.254 176.117 -0.079 0.000 1.153 360 I CA -0.839 60.422 61.300 -0.064 0.000 0.993 360 I CB 2.752 40.712 38.000 -0.068 0.000 1.237 360 I HN 0.620 nan 8.210 nan 0.000 0.443 361 T N 1.102 115.609 114.554 -0.078 0.000 2.881 361 T HA 0.506 4.855 4.350 -0.001 0.000 0.290 361 T C 0.574 175.220 174.700 -0.090 0.000 1.000 361 T CA -0.795 61.243 62.100 -0.103 0.000 0.978 361 T CB 1.739 70.561 68.868 -0.077 0.000 0.997 361 T HN 0.682 nan 8.240 nan 0.000 0.443 362 L N 2.177 123.319 121.223 -0.135 0.000 2.217 362 L HA 0.324 4.663 4.340 -0.001 0.000 0.211 362 L C 1.789 178.720 176.870 0.101 0.000 1.107 362 L CA 0.905 55.707 54.840 -0.063 0.000 0.783 362 L CB -1.217 40.746 42.059 -0.160 0.000 0.919 362 L HN 1.220 nan 8.230 nan 0.000 0.442 363 G N -0.365 108.498 108.800 0.105 0.000 2.725 363 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.220 363 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.220 363 G C 0.450 175.561 174.900 0.352 0.000 1.357 363 G CA -0.389 44.816 45.100 0.174 0.000 0.866 363 G HN 0.286 nan 8.290 nan 0.000 0.548 364 G N -0.120 108.829 108.800 0.248 0.000 3.126 364 G HA2 0.650 4.609 3.960 -0.001 0.000 0.224 364 G HA3 0.650 4.609 3.960 -0.001 0.000 0.224 364 G C 0.963 175.935 174.900 0.120 0.000 1.142 364 G CA 1.369 46.603 45.100 0.224 0.000 0.759 364 G HN 2.078 nan 8.290 nan 0.000 0.550 365 A N 1.993 124.886 122.820 0.123 0.000 2.565 365 A HA 0.428 4.747 4.320 -0.001 0.000 0.237 365 A C -1.568 176.032 177.584 0.026 0.000 1.053 365 A CA -0.564 51.514 52.037 0.067 0.000 0.755 365 A CB 0.052 19.098 19.000 0.077 0.000 0.980 365 A HN 0.236 nan 8.150 nan 0.000 0.506 366 P HA 0.281 nan 4.420 nan 0.000 0.269 366 P C 1.004 178.231 177.300 -0.122 0.000 1.209 366 P CA 1.336 64.382 63.100 -0.090 0.000 0.776 366 P CB 0.626 32.283 31.700 -0.073 0.000 0.876 367 G N 2.421 111.082 108.800 -0.232 0.000 2.556 367 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.283 367 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.283 367 G C 0.840 175.528 174.900 -0.352 0.000 1.177 367 G CA 0.364 45.288 45.100 -0.293 0.000 0.978 367 G HN 0.473 nan 8.290 nan 0.000 0.554 368 L N 2.009 123.137 121.223 -0.159 0.000 2.395 368 L HA 0.359 4.698 4.340 -0.001 0.000 0.218 368 L C 2.482 179.469 176.870 0.194 0.000 1.130 368 L CA 1.318 56.159 54.840 0.001 0.000 0.826 368 L CB -0.352 41.761 42.059 0.089 0.000 0.941 368 L HN 2.064 nan 8.230 nan 0.000 0.451 369 G N -0.033 108.822 108.800 0.092 0.000 2.157 369 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.248 369 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.248 369 G C -0.124 174.807 174.900 0.052 0.000 0.979 369 G CA 0.102 45.273 45.100 0.117 0.000 0.650 369 G HN 0.199 nan 8.290 nan 0.000 0.529 370 V N -0.446 119.476 119.914 0.014 0.000 3.120 370 V HA 0.835 4.954 4.120 -0.001 0.000 0.303 370 V C -0.969 175.049 176.094 -0.127 0.000 1.238 370 V CA 0.317 62.585 62.300 -0.053 0.000 1.008 370 V CB 2.474 34.259 31.823 -0.063 0.000 1.064 370 V HN 0.552 nan 8.190 nan 0.000 0.434 371 T N 6.805 121.235 114.554 -0.206 0.000 2.890 371 T HA 0.529 4.878 4.350 -0.001 0.000 0.295 371 T C -2.807 171.592 174.700 -0.501 0.000 0.993 371 T CA -0.727 61.143 62.100 -0.383 0.000 0.979 371 T CB 1.623 70.384 68.868 -0.178 0.000 0.967 371 T HN 0.769 nan 8.240 nan 0.000 0.441 372 P HA 0.214 nan 4.420 nan 0.000 0.269 372 P C -0.816 176.185 177.300 -0.498 0.000 1.209 372 P CA -0.179 62.522 63.100 -0.665 0.000 0.776 372 P CB 0.778 31.971 31.700 -0.845 0.000 0.876 373 D N 2.261 122.461 120.400 -0.333 0.000 2.505 373 D HA 0.138 4.777 4.640 -0.001 0.000 0.242 373 D C 1.404 177.592 176.300 -0.186 0.000 1.136 373 D CA -0.405 53.471 54.000 -0.208 0.000 0.954 373 D CB -0.171 40.541 40.800 -0.147 0.000 1.002 373 D HN 0.173 nan 8.370 nan 0.000 0.512 374 L N 1.938 123.065 121.223 -0.161 0.000 1.997 374 L HA -0.270 4.069 4.340 -0.001 0.000 0.216 374 L C 2.424 179.328 176.870 0.057 0.000 1.074 374 L CA 1.749 56.570 54.840 -0.031 0.000 0.763 374 L CB -0.738 41.322 42.059 0.001 0.000 0.890 374 L HN 0.385 nan 8.230 nan 0.000 0.434 375 A N 0.006 122.844 122.820 0.031 0.000 1.892 375 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 375 A C 2.548 180.151 177.584 0.032 0.000 1.188 375 A CA 2.170 54.235 52.037 0.047 0.000 0.631 375 A CB -0.818 18.198 19.000 0.027 0.000 0.822 375 A HN 0.460 nan 8.150 nan 0.000 0.447 376 A N -0.546 122.264 122.820 -0.017 0.000 1.902 376 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 376 A C 2.218 179.779 177.584 -0.039 0.000 1.181 376 A CA 1.509 53.526 52.037 -0.032 0.000 0.623 376 A CB -0.590 18.371 19.000 -0.066 0.000 0.818 376 A HN 0.478 nan 8.150 nan 0.000 0.443 377 L N -0.387 120.774 121.223 -0.103 0.000 1.994 377 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 377 L C 2.844 179.742 176.870 0.047 0.000 1.071 377 L CA 1.940 56.665 54.840 -0.192 0.000 0.745 377 L CB -0.462 41.209 42.059 -0.646 0.000 0.892 377 L HN 0.595 nan 8.230 nan 0.000 0.431 378 R N 0.121 120.789 120.500 0.281 0.000 2.280 378 R HA -0.002 4.337 4.340 -0.001 0.000 0.207 378 R C 1.989 178.400 176.300 0.185 0.000 1.043 378 R CA 0.959 57.286 56.100 0.379 0.000 1.006 378 R CB -0.394 30.125 30.300 0.366 0.000 0.885 378 R HN 0.233 nan 8.270 nan 0.000 0.467 379 A N 1.727 124.619 122.820 0.120 0.000 1.874 379 A HA 0.188 4.507 4.320 -0.001 0.000 0.214 379 A C 2.425 180.060 177.584 0.085 0.000 1.189 379 A CA 0.913 52.997 52.037 0.079 0.000 0.615 379 A CB -0.602 18.428 19.000 0.049 0.000 0.830 379 A HN 0.445 nan 8.150 nan 0.000 0.443 380 A N -1.318 121.557 122.820 0.091 0.000 2.178 380 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 380 A C 1.223 178.938 177.584 0.219 0.000 1.157 380 A CA 0.915 53.031 52.037 0.132 0.000 0.689 380 A CB -0.962 18.094 19.000 0.095 0.000 0.787 380 A HN 0.527 nan 8.150 nan 0.000 0.465 381 C N 0.000 119.411 119.300 0.186 0.000 2.653 381 C HA 0.000 4.459 4.460 -0.001 0.000 0.325 381 C CA 0.000 59.103 59.018 0.142 0.000 1.963 381 C CB 0.000 27.866 27.740 0.210 0.000 2.134 381 C HN 0.000 nan 8.230 nan 0.000 0.568