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 1glc_1_G DATA FIRST_RESID 4 DATA SEQUENCE KYIVALDQGT TSSRAVVMDH DANIISVSQR EFEQIYPKPG WVEHDPMEIW DATA SEQUENCE ATQSSTLVEV LAKADISSDQ IAAIGITNQR ETTIVWEKET GKPIYNAIVW DATA SEQUENCE QCRRTAEICE HLKRDGLEDY IRSNTGLVID PYFSGTKVKW ILDHVEGSRE DATA SEQUENCE RARRGELLFG TVDTWLIWKM TQGRVHVTDY TNASRTMLFN IHTLDWDDKM DATA SEQUENCE LEVLDIPREM LPEVRRSSEV YGQTNIXXXX XXXIPISGIA GDQQAALFGQ DATA SEQUENCE LCVKEGMAKN TYGTGCFMLM NTGEKAVKSE NGLLTTIACG PTGEVNYALE DATA SEQUENCE GAVFMAGASI QWLRDEMKLI NDAYDSEYFA TKVQNTNGVY VVPAFTGLGA DATA SEQUENCE PYWDPYARGA IFGLTRGVNA NHIIRATLES IAYQTRDVLE AMQADSGIRL DATA SEQUENCE HALRVDGGAV ANNFLMQFQS DILGTRVERP EVREVTALGA AYLAGLAVGF DATA SEQUENCE WQNLDELQEK AVIEREFRPG IETTERNYRY AGWKKAVKRA MAWEEH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.299 176.600 -0.502 0.000 0.988 4 K CA 0.000 55.974 56.287 -0.522 0.000 0.838 4 K CB 0.000 32.448 32.500 -0.087 0.000 1.064 5 Y N 1.462 121.839 120.300 0.129 0.000 2.656 5 Y HA 0.551 5.102 4.550 0.002 0.000 0.334 5 Y C -0.625 175.082 175.900 -0.321 0.000 1.179 5 Y CA -1.314 56.733 58.100 -0.089 0.000 1.050 5 Y CB 0.614 39.065 38.460 -0.016 0.000 1.308 5 Y HN 0.277 nan 8.280 nan 0.000 0.456 6 I N 0.822 121.195 120.570 -0.329 0.000 2.566 6 I HA 0.694 4.865 4.170 0.002 0.000 0.303 6 I C -0.548 175.525 176.117 -0.073 0.000 0.983 6 I CA -1.030 60.093 61.300 -0.296 0.000 1.235 6 I CB 1.301 39.042 38.000 -0.431 0.000 1.386 6 I HN 0.340 nan 8.210 nan 0.000 0.494 7 V N 3.305 123.193 119.914 -0.043 0.000 2.588 7 V HA 0.832 4.953 4.120 0.002 0.000 0.304 7 V C -0.281 175.817 176.094 0.008 0.000 1.042 7 V CA -0.479 61.814 62.300 -0.013 0.000 0.877 7 V CB 1.690 33.506 31.823 -0.011 0.000 0.996 7 V HN 0.959 nan 8.190 nan 0.000 0.425 8 A N 5.152 127.981 122.820 0.015 0.000 2.355 8 A HA 0.937 5.258 4.320 0.002 0.000 0.324 8 A C -1.525 176.071 177.584 0.020 0.000 1.117 8 A CA -0.554 51.497 52.037 0.023 0.000 0.785 8 A CB 1.409 20.424 19.000 0.026 0.000 1.254 8 A HN 0.637 nan 8.150 nan 0.000 0.453 9 L N 2.175 123.412 121.223 0.024 0.000 2.316 9 L HA 0.426 4.767 4.340 0.002 0.000 0.280 9 L C -0.796 176.092 176.870 0.030 0.000 1.006 9 L CA -0.057 54.801 54.840 0.029 0.000 0.836 9 L CB 1.604 43.684 42.059 0.036 0.000 1.221 9 L HN 0.709 nan 8.230 nan 0.000 0.418 10 D N 3.360 123.783 120.400 0.038 0.000 2.392 10 D HA 0.177 4.818 4.640 0.002 0.000 0.228 10 D C -0.855 175.489 176.300 0.073 0.000 1.074 10 D CA -0.241 53.787 54.000 0.046 0.000 0.838 10 D CB 1.225 42.053 40.800 0.046 0.000 1.067 10 D HN 0.251 nan 8.370 nan 0.000 0.511 11 Q N 3.199 123.043 119.800 0.073 0.000 2.462 11 Q HA 0.455 4.796 4.340 0.002 0.000 0.247 11 Q C -0.357 175.729 176.000 0.144 0.000 1.044 11 Q CA -0.737 55.129 55.803 0.105 0.000 0.803 11 Q CB 1.099 29.878 28.738 0.068 0.000 1.190 11 Q HN 0.609 nan 8.270 nan 0.000 0.507 12 G N 1.470 110.405 108.800 0.224 0.000 2.535 12 G HA2 0.288 4.249 3.960 0.002 0.000 0.303 12 G HA3 0.288 4.249 3.960 0.002 0.000 0.303 12 G C 0.709 175.854 174.900 0.409 0.000 1.237 12 G CA -0.130 45.125 45.100 0.258 0.000 0.986 12 G HN 0.544 nan 8.290 nan 0.000 0.494 13 T N 0.090 114.894 114.554 0.418 0.000 2.684 13 T HA -0.150 4.201 4.350 0.002 0.000 0.267 13 T C 2.533 177.416 174.700 0.304 0.000 1.036 13 T CA 2.179 64.595 62.100 0.527 0.000 1.148 13 T CB -0.336 68.952 68.868 0.700 0.000 0.863 13 T HN 0.448 nan 8.240 nan 0.000 0.436 14 T N 1.691 116.312 114.554 0.113 0.000 2.755 14 T HA 0.099 4.450 4.350 0.002 0.000 0.251 14 T C 1.294 175.749 174.700 -0.408 0.000 1.044 14 T CA 0.964 62.971 62.100 -0.155 0.000 1.154 14 T CB -0.090 68.773 68.868 -0.009 0.000 0.866 14 T HN 0.570 nan 8.240 nan 0.000 0.416 15 S N -0.195 115.528 115.700 0.038 0.000 2.811 15 S HA 0.696 5.167 4.470 0.002 0.000 0.311 15 S C -1.081 173.811 174.600 0.487 0.000 1.152 15 S CA -0.876 57.508 58.200 0.306 0.000 0.864 15 S CB 2.080 65.376 63.200 0.159 0.000 1.226 15 S HN 0.068 nan 8.310 nan 0.000 0.541 16 S N 1.118 117.040 115.700 0.371 0.000 2.530 16 S HA 0.605 5.076 4.470 0.002 0.000 0.322 16 S C -0.172 174.500 174.600 0.120 0.000 1.085 16 S CA -0.931 57.388 58.200 0.198 0.000 1.096 16 S CB 0.683 63.945 63.200 0.103 0.000 0.988 16 S HN 0.769 nan 8.310 nan 0.000 0.466 17 R N 1.340 121.896 120.500 0.092 0.000 2.943 17 R HA 0.910 5.251 4.340 0.002 0.000 0.246 17 R C -1.428 174.894 176.300 0.038 0.000 1.201 17 R CA -1.043 55.093 56.100 0.061 0.000 1.056 17 R CB 1.310 31.646 30.300 0.060 0.000 1.243 17 R HN 0.521 nan 8.270 nan 0.000 0.498 18 A N 1.310 124.144 122.820 0.023 0.000 2.497 18 A HA 0.468 4.789 4.320 0.002 0.000 0.280 18 A C -1.367 176.219 177.584 0.002 0.000 1.065 18 A CA -0.672 51.371 52.037 0.011 0.000 0.781 18 A CB 1.505 20.505 19.000 0.000 0.000 1.289 18 A HN 0.376 nan 8.150 nan 0.000 0.415 19 V N 1.822 121.738 119.914 0.003 0.000 2.630 19 V HA 0.690 4.811 4.120 0.002 0.000 0.305 19 V C -0.297 175.790 176.094 -0.011 0.000 1.046 19 V CA -0.606 61.693 62.300 -0.000 0.000 0.934 19 V CB 1.929 33.759 31.823 0.011 0.000 1.003 19 V HN 0.678 nan 8.190 nan 0.000 0.451 20 V N 4.924 124.823 119.914 -0.025 0.000 2.447 20 V HA 0.512 4.633 4.120 0.002 0.000 0.292 20 V C -0.358 175.730 176.094 -0.011 0.000 1.021 20 V CA -0.295 61.972 62.300 -0.056 0.000 0.850 20 V CB 1.441 33.170 31.823 -0.155 0.000 1.005 20 V HN 0.872 nan 8.190 nan 0.000 0.426 21 M N 3.608 123.248 119.600 0.068 0.000 2.705 21 M HA 0.607 5.088 4.480 0.002 0.000 0.311 21 M C -0.219 176.260 176.300 0.298 0.000 1.214 21 M CA -0.605 54.798 55.300 0.173 0.000 0.920 21 M CB 1.419 34.173 32.600 0.258 0.000 1.687 21 M HN 0.752 nan 8.290 nan 0.000 0.481 22 D N -1.555 119.076 120.400 0.385 0.000 2.506 22 D HA 0.133 4.774 4.640 0.002 0.000 0.272 22 D C 0.735 177.366 176.300 0.552 0.000 1.214 22 D CA -0.238 54.069 54.000 0.511 0.000 1.067 22 D CB 0.169 41.234 40.800 0.442 0.000 1.117 22 D HN 0.727 nan 8.370 nan 0.000 0.578 23 H N -1.303 118.065 119.070 0.497 0.000 2.387 23 H HA -0.092 4.466 4.556 0.002 0.000 0.299 23 H C 0.675 176.334 175.328 0.552 0.000 1.099 23 H CA 1.767 58.103 56.048 0.481 0.000 1.315 23 H CB 0.011 29.756 29.762 -0.029 0.000 1.380 23 H HN 0.324 nan 8.280 nan 0.000 0.513 24 D N 0.289 120.900 120.400 0.352 0.000 2.338 24 D HA 0.107 4.748 4.640 0.002 0.000 0.239 24 D C 0.128 176.581 176.300 0.256 0.000 1.095 24 D CA 0.841 54.993 54.000 0.253 0.000 0.888 24 D CB -0.674 40.258 40.800 0.220 0.000 0.899 24 D HN 0.559 nan 8.370 nan 0.000 0.525 25 A N 0.995 124.059 122.820 0.408 0.000 2.203 25 A HA -0.255 4.066 4.320 0.002 0.000 0.279 25 A C -0.208 177.519 177.584 0.239 0.000 1.396 25 A CA 0.330 52.605 52.037 0.397 0.000 0.747 25 A CB -1.707 17.513 19.000 0.366 0.000 1.151 25 A HN 0.219 nan 8.150 nan 0.000 0.345 26 N N 0.329 119.165 118.700 0.226 0.000 2.372 26 N HA 0.577 5.318 4.740 0.002 0.000 0.285 26 N C -0.273 175.318 175.510 0.135 0.000 1.008 26 N CA -0.747 52.398 53.050 0.157 0.000 0.880 26 N CB 0.922 39.500 38.487 0.152 0.000 1.239 26 N HN 0.321 nan 8.380 nan 0.000 0.484 27 I N 3.551 124.176 120.570 0.092 0.000 2.494 27 I HA 0.010 4.181 4.170 0.002 0.000 0.289 27 I C 1.531 177.677 176.117 0.047 0.000 1.106 27 I CA -0.165 61.173 61.300 0.063 0.000 1.369 27 I CB -0.497 37.529 38.000 0.042 0.000 1.410 27 I HN 0.452 nan 8.210 nan 0.000 0.523 28 I N 3.828 124.416 120.570 0.030 0.000 2.339 28 I HA -0.021 4.150 4.170 0.002 0.000 0.245 28 I C 1.093 177.194 176.117 -0.027 0.000 1.096 28 I CA 0.818 62.117 61.300 -0.002 0.000 1.408 28 I CB -0.194 37.774 38.000 -0.052 0.000 1.092 28 I HN 0.763 nan 8.210 nan 0.000 0.423 29 S N -0.713 114.965 115.700 -0.038 0.000 2.558 29 S HA 0.679 5.150 4.470 0.002 0.000 0.277 29 S C -1.233 173.351 174.600 -0.027 0.000 1.143 29 S CA -0.720 57.459 58.200 -0.035 0.000 0.865 29 S CB 1.071 64.238 63.200 -0.054 0.000 1.102 29 S HN -0.159 nan 8.310 nan 0.000 0.454 30 V N 1.614 121.518 119.914 -0.015 0.000 2.962 30 V HA 0.897 5.018 4.120 0.002 0.000 0.313 30 V C -0.584 175.507 176.094 -0.005 0.000 1.099 30 V CA -0.798 61.498 62.300 -0.006 0.000 0.971 30 V CB 2.105 33.930 31.823 0.004 0.000 1.028 30 V HN 1.025 nan 8.190 nan 0.000 0.430 31 S N 2.156 117.857 115.700 0.001 0.000 2.677 31 S HA 0.650 5.121 4.470 0.002 0.000 0.283 31 S C -0.914 173.698 174.600 0.019 0.000 1.159 31 S CA -0.654 57.549 58.200 0.004 0.000 1.001 31 S CB 1.816 65.012 63.200 -0.006 0.000 1.032 31 S HN 0.809 nan 8.310 nan 0.000 0.487 32 Q N 1.118 120.935 119.800 0.027 0.000 2.387 32 Q HA 0.831 5.172 4.340 0.002 0.000 0.273 32 Q C -0.705 175.327 176.000 0.054 0.000 1.089 32 Q CA -0.561 55.271 55.803 0.048 0.000 0.824 32 Q CB 1.501 30.265 28.738 0.043 0.000 1.367 32 Q HN 0.841 nan 8.270 nan 0.000 0.443 33 R N 2.062 122.615 120.500 0.088 0.000 2.585 33 R HA 0.324 4.666 4.340 0.002 0.000 0.288 33 R C -1.208 175.200 176.300 0.179 0.000 1.194 33 R CA -0.625 55.535 56.100 0.100 0.000 1.006 33 R CB 0.499 30.843 30.300 0.072 0.000 1.229 33 R HN 0.823 nan 8.270 nan 0.000 0.412 34 E N 1.139 121.409 120.200 0.116 0.000 2.391 34 E HA 0.700 5.051 4.350 0.002 0.000 0.255 34 E C -0.179 176.514 176.600 0.156 0.000 1.187 34 E CA 0.027 56.465 56.400 0.063 0.000 0.941 34 E CB 0.640 30.318 29.700 -0.038 0.000 1.010 34 E HN 0.697 nan 8.360 nan 0.000 0.458 35 F N -2.553 117.408 119.950 0.018 0.000 2.678 35 F HA 0.345 4.873 4.527 0.002 0.000 0.308 35 F C -0.726 175.049 175.800 -0.042 0.000 1.118 35 F CA -1.256 56.746 58.000 0.003 0.000 0.959 35 F CB 0.923 39.942 39.000 0.031 0.000 1.305 35 F HN 0.251 nan 8.300 nan 0.000 0.443 36 E N 2.142 122.368 120.200 0.043 0.000 2.376 36 E HA 0.116 4.467 4.350 0.002 0.000 0.266 36 E C -0.916 175.558 176.600 -0.211 0.000 1.009 36 E CA -0.291 56.058 56.400 -0.085 0.000 0.902 36 E CB 0.719 30.408 29.700 -0.018 0.000 0.972 36 E HN 0.523 nan 8.360 nan 0.000 0.439 37 Q N 3.674 123.243 119.800 -0.386 0.000 2.271 37 Q HA 0.405 4.746 4.340 0.002 0.000 0.258 37 Q C -0.416 175.132 176.000 -0.753 0.000 0.936 37 Q CA -0.487 54.921 55.803 -0.658 0.000 0.909 37 Q CB 1.484 29.798 28.738 -0.706 0.000 1.253 37 Q HN 0.456 nan 8.270 nan 0.000 0.440 38 I N 2.642 122.771 120.570 -0.734 0.000 2.406 38 I HA 0.255 4.426 4.170 0.002 0.000 0.290 38 I C -1.080 174.729 176.117 -0.513 0.000 0.999 38 I CA -0.851 60.153 61.300 -0.493 0.000 1.124 38 I CB 0.936 38.825 38.000 -0.185 0.000 1.289 38 I HN 0.431 nan 8.210 nan 0.000 0.441 39 Y N 6.692 126.995 120.300 0.005 0.000 2.805 39 Y HA 0.359 4.910 4.550 0.002 0.000 0.339 39 Y C -1.648 174.266 175.900 0.024 0.000 1.012 39 Y CA -2.272 55.844 58.100 0.027 0.000 1.262 39 Y CB 0.085 38.549 38.460 0.007 0.000 1.100 39 Y HN 0.469 nan 8.280 nan 0.000 0.559 40 P HA -0.107 nan 4.420 nan 0.000 0.222 40 P C 0.017 177.282 177.300 -0.059 0.000 1.147 40 P CA 1.197 64.353 63.100 0.093 0.000 0.790 40 P CB 0.812 32.632 31.700 0.200 0.000 0.780 41 K N -2.677 117.650 120.400 -0.122 0.000 2.735 41 K HA 0.310 4.631 4.320 0.002 0.000 0.295 41 K C -2.681 173.734 176.600 -0.308 0.000 1.052 41 K CA -1.260 54.810 56.287 -0.361 0.000 0.853 41 K CB 0.405 32.391 32.500 -0.856 0.000 1.535 41 K HN -0.407 nan 8.250 nan 0.000 0.383 42 P HA -0.292 nan 4.420 nan 0.000 0.265 42 P C 0.419 177.736 177.300 0.028 0.000 1.233 42 P CA 1.714 64.745 63.100 -0.114 0.000 1.267 42 P CB -0.493 31.178 31.700 -0.048 0.000 0.691 43 G N -1.864 107.030 108.800 0.157 0.000 3.581 43 G HA2 0.271 4.232 3.960 0.002 0.000 0.255 43 G HA3 0.271 4.232 3.960 0.002 0.000 0.255 43 G C -0.811 174.321 174.900 0.387 0.000 1.121 43 G CA -0.207 45.018 45.100 0.208 0.000 1.739 43 G HN 0.156 nan 8.290 nan 0.000 0.646 44 W N 0.139 121.435 121.300 -0.007 0.000 2.520 44 W HA 0.633 5.294 4.660 0.001 0.000 0.323 44 W C -0.311 176.224 176.519 0.026 0.000 1.062 44 W CA -1.265 56.056 57.345 -0.040 0.000 1.215 44 W CB 1.677 31.111 29.460 -0.042 0.000 1.340 44 W HN -0.040 nan 8.180 nan 0.000 0.516 45 V N 2.097 122.085 119.914 0.124 0.000 2.914 45 V HA 0.652 4.774 4.120 0.002 0.000 0.314 45 V C -0.531 175.549 176.094 -0.024 0.000 1.084 45 V CA -1.339 60.981 62.300 0.033 0.000 0.963 45 V CB 2.200 33.989 31.823 -0.056 0.000 1.025 45 V HN 0.503 nan 8.190 nan 0.000 0.432 46 E N 0.995 121.165 120.200 -0.049 0.000 2.375 46 E HA 0.582 4.933 4.350 0.002 0.000 0.280 46 E C -1.918 174.737 176.600 0.092 0.000 0.972 46 E CA -0.893 55.544 56.400 0.060 0.000 0.782 46 E CB 2.572 32.317 29.700 0.076 0.000 1.229 46 E HN 0.869 nan 8.360 nan 0.000 0.439 47 H N -0.055 118.992 119.070 -0.037 0.000 2.797 47 H HA 0.337 4.894 4.556 0.002 0.000 0.372 47 H C -1.208 174.097 175.328 -0.038 0.000 1.168 47 H CA -1.087 54.967 56.048 0.009 0.000 1.163 47 H CB 1.214 31.049 29.762 0.121 0.000 1.778 47 H HN 0.377 nan 8.280 nan 0.000 0.551 48 D N 1.916 122.379 120.400 0.106 0.000 2.347 48 D HA 0.198 4.839 4.640 0.002 0.000 0.235 48 D C -1.701 174.551 176.300 -0.080 0.000 1.149 48 D CA -2.266 51.734 54.000 -0.001 0.000 0.850 48 D CB 1.239 42.051 40.800 0.020 0.000 1.061 48 D HN 0.131 nan 8.370 nan 0.000 0.487 49 P HA -0.202 nan 4.420 nan 0.000 0.216 49 P C 1.322 178.592 177.300 -0.049 0.000 1.154 49 P CA 1.176 64.007 63.100 -0.447 0.000 0.865 49 P CB 0.105 31.255 31.700 -0.916 0.000 0.789 50 M N -1.183 118.452 119.600 0.059 0.000 2.460 50 M HA -0.093 4.389 4.480 0.002 0.000 0.263 50 M C 1.939 178.343 176.300 0.174 0.000 1.071 50 M CA 1.407 56.860 55.300 0.255 0.000 1.096 50 M CB -0.706 32.033 32.600 0.231 0.000 1.408 50 M HN -0.061 nan 8.290 nan 0.000 0.463 51 E N -0.354 119.877 120.200 0.052 0.000 2.250 51 E HA -0.001 4.350 4.350 0.002 0.000 0.192 51 E C 1.871 178.370 176.600 -0.167 0.000 0.986 51 E CA 0.535 56.917 56.400 -0.029 0.000 0.849 51 E CB 0.188 29.892 29.700 0.006 0.000 0.797 51 E HN 0.487 nan 8.360 nan 0.000 0.482 52 I N 0.563 121.013 120.570 -0.200 0.000 2.202 52 I HA -0.243 3.928 4.170 0.002 0.000 0.242 52 I C 2.453 178.564 176.117 -0.010 0.000 1.091 52 I CA 0.933 62.031 61.300 -0.336 0.000 1.368 52 I CB -0.486 37.389 38.000 -0.208 0.000 1.058 52 I HN 0.363 nan 8.210 nan 0.000 0.410 53 W N 2.453 123.769 121.300 0.026 0.000 2.311 53 W HA -0.349 4.312 4.660 0.002 0.000 0.326 53 W C 2.670 179.190 176.519 0.001 0.000 1.239 53 W CA 1.711 59.114 57.345 0.098 0.000 1.258 53 W CB -0.148 29.476 29.460 0.273 0.000 1.165 53 W HN 0.145 nan 8.180 nan 0.000 0.466 54 A N 0.336 122.902 122.820 -0.424 0.000 1.892 54 A HA -0.290 4.031 4.320 0.002 0.000 0.218 54 A C 1.921 179.281 177.584 -0.374 0.000 1.188 54 A CA 2.885 54.614 52.037 -0.513 0.000 0.631 54 A CB -1.633 17.238 19.000 -0.216 0.000 0.822 54 A HN 0.432 nan 8.150 nan 0.000 0.447 55 T N -1.550 112.869 114.554 -0.224 0.000 2.708 55 T HA -0.155 4.196 4.350 0.002 0.000 0.266 55 T C 2.190 176.814 174.700 -0.127 0.000 1.037 55 T CA 1.919 63.935 62.100 -0.140 0.000 1.146 55 T CB -0.231 68.572 68.868 -0.109 0.000 0.865 55 T HN 0.542 nan 8.240 nan 0.000 0.435 56 Q N 1.103 120.826 119.800 -0.128 0.000 2.020 56 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 56 Q C 2.367 178.290 176.000 -0.128 0.000 0.982 56 Q CA 2.118 57.888 55.803 -0.055 0.000 0.838 56 Q CB -0.728 28.055 28.738 0.074 0.000 0.899 56 Q HN 0.523 nan 8.270 nan 0.000 0.423 57 S N 0.163 115.638 115.700 -0.374 0.000 2.492 57 S HA -0.312 4.159 4.470 0.002 0.000 0.234 57 S C 1.891 176.346 174.600 -0.243 0.000 1.050 57 S CA 1.870 59.795 58.200 -0.458 0.000 1.203 57 S CB -1.461 61.235 63.200 -0.840 0.000 1.161 57 S HN 0.651 nan 8.310 nan 0.000 0.417 58 S N 0.733 116.273 115.700 -0.266 0.000 2.414 58 S HA -0.319 4.152 4.470 0.002 0.000 0.241 58 S C 1.940 176.483 174.600 -0.096 0.000 1.079 58 S CA 2.524 60.629 58.200 -0.160 0.000 1.087 58 S CB -1.295 61.814 63.200 -0.152 0.000 0.927 58 S HN 0.610 nan 8.310 nan 0.000 0.456 59 T N 0.585 115.090 114.554 -0.082 0.000 2.788 59 T HA -0.057 4.295 4.350 0.002 0.000 0.268 59 T C 1.633 176.312 174.700 -0.034 0.000 1.044 59 T CA 1.388 63.464 62.100 -0.040 0.000 1.139 59 T CB -0.537 68.325 68.868 -0.012 0.000 0.867 59 T HN 0.343 nan 8.240 nan 0.000 0.454 60 L N 1.246 122.445 121.223 -0.040 0.000 1.955 60 L HA -0.050 4.291 4.340 0.002 0.000 0.213 60 L C 2.635 179.486 176.870 -0.032 0.000 1.072 60 L CA 1.716 56.539 54.840 -0.027 0.000 0.755 60 L CB -1.172 40.873 42.059 -0.022 0.000 0.888 60 L HN 0.142 nan 8.230 nan 0.000 0.432 61 V N 0.120 120.009 119.914 -0.041 0.000 2.220 61 V HA -0.387 3.734 4.120 0.002 0.000 0.250 61 V C 2.576 178.649 176.094 -0.034 0.000 1.056 61 V CA 2.276 64.554 62.300 -0.037 0.000 1.016 61 V CB -0.945 30.850 31.823 -0.047 0.000 0.639 61 V HN 0.682 nan 8.190 nan 0.000 0.446 62 E N 0.210 120.388 120.200 -0.036 0.000 2.267 62 E HA -0.194 4.157 4.350 0.002 0.000 0.197 62 E C 1.929 178.511 176.600 -0.030 0.000 0.998 62 E CA 1.782 58.164 56.400 -0.031 0.000 0.830 62 E CB 0.008 29.691 29.700 -0.029 0.000 0.751 62 E HN 0.603 nan 8.360 nan 0.000 0.491 63 V N 0.491 120.385 119.914 -0.034 0.000 2.346 63 V HA -0.203 3.918 4.120 0.002 0.000 0.244 63 V C 2.595 178.655 176.094 -0.057 0.000 1.037 63 V CA 1.089 63.364 62.300 -0.041 0.000 1.029 63 V CB -0.720 31.078 31.823 -0.042 0.000 0.663 63 V HN 0.214 nan 8.190 nan 0.000 0.454 64 L N 0.634 121.824 121.223 -0.055 0.000 2.046 64 L HA -0.122 4.219 4.340 0.002 0.000 0.208 64 L C 2.901 179.743 176.870 -0.046 0.000 1.077 64 L CA 1.689 56.493 54.840 -0.060 0.000 0.747 64 L CB -0.833 41.205 42.059 -0.035 0.000 0.896 64 L HN 0.388 nan 8.230 nan 0.000 0.432 65 A N 0.519 123.319 122.820 -0.033 0.000 1.877 65 A HA -0.230 4.092 4.320 0.002 0.000 0.216 65 A C 2.672 180.240 177.584 -0.025 0.000 1.186 65 A CA 2.448 54.471 52.037 -0.024 0.000 0.620 65 A CB -0.786 18.201 19.000 -0.021 0.000 0.822 65 A HN 0.331 nan 8.150 nan 0.000 0.443 66 K N -0.426 119.955 120.400 -0.031 0.000 2.001 66 K HA -0.006 4.315 4.320 0.002 0.000 0.214 66 K C 2.412 178.993 176.600 -0.032 0.000 1.050 66 K CA 2.441 58.711 56.287 -0.029 0.000 0.934 66 K CB -1.562 30.920 32.500 -0.030 0.000 0.718 66 K HN 1.045 nan 8.250 nan 0.000 0.443 67 A N -0.278 122.510 122.820 -0.053 0.000 2.014 67 A HA 0.341 4.662 4.320 0.002 0.000 0.218 67 A C 1.311 178.868 177.584 -0.045 0.000 1.163 67 A CA 1.930 53.927 52.037 -0.067 0.000 0.652 67 A CB -1.034 17.886 19.000 -0.133 0.000 0.808 67 A HN 1.884 nan 8.150 nan 0.000 0.449 68 D N -1.643 118.736 120.400 -0.036 0.000 4.260 68 D HA 0.086 4.727 4.640 0.002 0.000 0.245 68 D C -0.535 175.769 176.300 0.008 0.000 1.060 68 D CA 0.827 54.823 54.000 -0.007 0.000 1.146 68 D CB -2.005 38.800 40.800 0.009 0.000 0.837 68 D HN 0.838 nan 8.370 nan 0.000 0.390 69 I N 0.088 120.662 120.570 0.007 0.000 3.004 69 I HA 0.756 4.927 4.170 0.002 0.000 0.305 69 I C -0.034 176.112 176.117 0.049 0.000 1.312 69 I CA -0.279 61.048 61.300 0.046 0.000 0.992 69 I CB 2.339 40.314 38.000 -0.042 0.000 1.282 69 I HN 0.597 nan 8.210 nan 0.000 0.449 70 S N 1.145 116.893 115.700 0.080 0.000 2.704 70 S HA 0.676 5.147 4.470 0.002 0.000 0.296 70 S C 1.064 175.702 174.600 0.063 0.000 1.138 70 S CA 0.217 58.450 58.200 0.056 0.000 0.875 70 S CB 1.507 64.729 63.200 0.037 0.000 1.151 70 S HN 0.852 nan 8.310 nan 0.000 0.500 71 S N 0.771 116.497 115.700 0.043 0.000 2.413 71 S HA -0.202 4.269 4.470 0.002 0.000 0.237 71 S C 1.552 176.180 174.600 0.046 0.000 1.044 71 S CA 2.918 61.142 58.200 0.039 0.000 1.024 71 S CB -1.740 61.477 63.200 0.027 0.000 0.829 71 S HN 0.919 nan 8.310 nan 0.000 0.475 72 D N 0.751 121.179 120.400 0.048 0.000 2.144 72 D HA -0.090 4.551 4.640 0.002 0.000 0.199 72 D C 2.006 178.338 176.300 0.053 0.000 0.984 72 D CA 1.449 55.475 54.000 0.043 0.000 0.834 72 D CB -0.646 40.175 40.800 0.034 0.000 0.955 72 D HN 0.886 nan 8.370 nan 0.000 0.465 73 Q N -0.586 119.270 119.800 0.093 0.000 2.356 73 Q HA 0.216 4.557 4.340 0.002 0.000 0.205 73 Q C 0.763 176.856 176.000 0.155 0.000 0.901 73 Q CA -0.198 55.666 55.803 0.102 0.000 0.938 73 Q CB -0.052 28.787 28.738 0.168 0.000 1.081 73 Q HN 0.751 nan 8.270 nan 0.000 0.517 74 I N -1.208 119.459 120.570 0.161 0.000 2.281 74 I HA 0.460 4.631 4.170 0.002 0.000 0.293 74 I C 1.028 177.182 176.117 0.062 0.000 1.085 74 I CA -0.423 60.959 61.300 0.138 0.000 1.257 74 I CB 1.068 39.128 38.000 0.099 0.000 1.430 74 I HN -0.046 nan 8.210 nan 0.000 0.489 75 A N 5.083 127.925 122.820 0.037 0.000 1.873 75 A HA 0.317 4.638 4.320 0.002 0.000 0.218 75 A C 1.422 179.003 177.584 -0.005 0.000 1.193 75 A CA 1.805 53.863 52.037 0.035 0.000 0.629 75 A CB -0.593 18.464 19.000 0.096 0.000 0.826 75 A HN 1.173 nan 8.150 nan 0.000 0.447 76 A N -2.573 120.210 122.820 -0.061 0.000 2.515 76 A HA 0.636 4.958 4.320 0.002 0.000 0.299 76 A C -1.400 176.177 177.584 -0.011 0.000 1.179 76 A CA -0.485 51.540 52.037 -0.020 0.000 0.656 76 A CB 0.628 19.625 19.000 -0.005 0.000 1.306 76 A HN 0.251 nan 8.150 nan 0.000 0.459 77 I N 1.119 121.705 120.570 0.026 0.000 2.447 77 I HA 0.504 4.675 4.170 0.002 0.000 0.287 77 I C 0.464 176.617 176.117 0.060 0.000 1.023 77 I CA -0.196 61.126 61.300 0.036 0.000 1.083 77 I CB 0.802 38.828 38.000 0.043 0.000 1.245 77 I HN 0.828 nan 8.210 nan 0.000 0.434 78 G N 7.109 115.941 108.800 0.053 0.000 2.372 78 G HA2 0.733 4.695 3.960 0.002 0.000 0.323 78 G HA3 0.733 4.695 3.960 0.002 0.000 0.323 78 G C -0.679 174.242 174.900 0.034 0.000 1.152 78 G CA -0.369 44.770 45.100 0.064 0.000 0.906 78 G HN 0.470 nan 8.290 nan 0.000 0.460 79 I N 2.280 122.857 120.570 0.012 0.000 2.418 79 I HA 0.328 4.499 4.170 0.002 0.000 0.287 79 I C -0.222 175.877 176.117 -0.031 0.000 1.008 79 I CA -0.570 60.721 61.300 -0.014 0.000 1.104 79 I CB 2.216 40.189 38.000 -0.044 0.000 1.264 79 I HN 0.436 nan 8.210 nan 0.000 0.438 80 T N 3.485 118.029 114.554 -0.016 0.000 2.885 80 T HA 0.667 5.019 4.350 0.002 0.000 0.285 80 T C -0.621 174.069 174.700 -0.017 0.000 1.019 80 T CA -0.998 61.087 62.100 -0.025 0.000 1.010 80 T CB 2.069 70.927 68.868 -0.017 0.000 1.022 80 T HN 0.784 nan 8.240 nan 0.000 0.466 81 N N -0.086 118.592 118.700 -0.037 0.000 2.927 81 N HA 0.354 5.095 4.740 0.002 0.000 0.248 81 N C -1.387 174.092 175.510 -0.052 0.000 1.443 81 N CA -1.374 51.662 53.050 -0.024 0.000 0.870 81 N CB 0.996 39.464 38.487 -0.031 0.000 1.444 81 N HN 0.723 nan 8.380 nan 0.000 0.519 82 Q N 0.364 120.155 119.800 -0.015 0.000 2.337 82 Q HA 0.336 4.677 4.340 0.002 0.000 0.270 82 Q C -0.601 175.344 176.000 -0.092 0.000 1.002 82 Q CA -0.215 55.564 55.803 -0.041 0.000 0.888 82 Q CB 0.769 29.586 28.738 0.132 0.000 1.222 82 Q HN 0.435 nan 8.270 nan 0.000 0.400 83 R N 1.605 121.966 120.500 -0.233 0.000 2.541 83 R HA 0.173 4.514 4.340 0.002 0.000 0.263 83 R C 0.078 176.346 176.300 -0.052 0.000 1.112 83 R CA -0.269 55.728 56.100 -0.173 0.000 1.170 83 R CB 0.377 30.534 30.300 -0.238 0.000 1.167 83 R HN 0.907 nan 8.270 nan 0.000 0.582 84 E N -1.517 118.674 120.200 -0.015 0.000 5.235 84 E HA -0.283 4.068 4.350 0.002 0.000 0.181 84 E C -0.159 176.509 176.600 0.113 0.000 1.139 84 E CA 2.205 58.644 56.400 0.065 0.000 1.955 84 E CB -1.541 28.164 29.700 0.007 0.000 1.828 84 E HN 0.786 nan 8.360 nan 0.000 0.385 85 T N 0.595 115.225 114.554 0.127 0.000 2.736 85 T HA 0.172 4.523 4.350 0.002 0.000 0.275 85 T C 0.180 174.861 174.700 -0.032 0.000 0.962 85 T CA 0.556 62.691 62.100 0.058 0.000 1.214 85 T CB 0.364 69.255 68.868 0.039 0.000 0.904 85 T HN 0.128 nan 8.240 nan 0.000 0.529 86 T N 6.221 120.770 114.554 -0.008 0.000 2.869 86 T HA 0.528 4.879 4.350 0.002 0.000 0.295 86 T C 0.153 174.810 174.700 -0.072 0.000 0.987 86 T CA -0.371 61.729 62.100 -0.000 0.000 1.109 86 T CB 0.172 69.121 68.868 0.135 0.000 0.932 86 T HN 0.661 nan 8.240 nan 0.000 0.518 87 I N 2.647 123.154 120.570 -0.104 0.000 2.619 87 I HA 0.435 4.606 4.170 0.002 0.000 0.292 87 I C -0.859 175.419 176.117 0.268 0.000 1.100 87 I CA -1.101 60.166 61.300 -0.055 0.000 1.043 87 I CB 2.336 40.135 38.000 -0.335 0.000 1.239 87 I HN 0.262 nan 8.210 nan 0.000 0.420 88 V N 5.009 125.102 119.914 0.298 0.000 2.555 88 V HA 0.568 4.689 4.120 0.002 0.000 0.302 88 V C -1.338 174.997 176.094 0.402 0.000 1.038 88 V CA -0.431 62.057 62.300 0.314 0.000 0.887 88 V CB 1.620 33.547 31.823 0.173 0.000 0.991 88 V HN 0.868 nan 8.190 nan 0.000 0.434 89 W N 1.931 123.185 121.300 -0.075 0.000 3.573 89 W HA 0.627 5.288 4.660 0.002 0.000 0.306 89 W C -0.673 175.794 176.519 -0.087 0.000 1.227 89 W CA -0.777 56.519 57.345 -0.081 0.000 1.212 89 W CB 0.602 30.017 29.460 -0.075 0.000 1.331 89 W HN 0.505 nan 8.180 nan 0.000 0.524 90 E N 3.752 124.006 120.200 0.089 0.000 2.558 90 E HA -0.125 4.226 4.350 0.002 0.000 0.255 90 E C 1.070 177.707 176.600 0.062 0.000 0.968 90 E CA 0.229 56.649 56.400 0.033 0.000 0.939 90 E CB 1.427 31.191 29.700 0.106 0.000 0.921 90 E HN 0.594 nan 8.360 nan 0.000 0.477 91 K N 3.802 124.195 120.400 -0.011 0.000 2.025 91 K HA -0.216 4.105 4.320 0.002 0.000 0.207 91 K C 2.165 178.933 176.600 0.280 0.000 1.049 91 K CA 1.641 58.011 56.287 0.139 0.000 0.933 91 K CB -0.018 32.498 32.500 0.026 0.000 0.714 91 K HN 0.567 nan 8.250 nan 0.000 0.438 92 E N 0.831 121.124 120.200 0.156 0.000 2.007 92 E HA -0.254 4.097 4.350 0.002 0.000 0.203 92 E C 1.870 178.584 176.600 0.190 0.000 1.020 92 E CA 2.625 59.107 56.400 0.137 0.000 0.845 92 E CB -2.028 nan 29.700 nan 0.000 0.779 92 E HN 0.697 nan 8.360 nan 0.000 0.466 93 T N -2.920 111.744 114.554 0.183 0.000 2.597 93 T HA 0.098 4.449 4.350 0.002 0.000 0.267 93 T C 2.024 176.887 174.700 0.271 0.000 1.053 93 T CA 2.517 64.731 62.100 0.190 0.000 1.165 93 T CB -0.952 68.013 68.868 0.161 0.000 0.863 93 T HN 1.988 nan 8.240 nan 0.000 0.427 94 G N 1.493 110.524 108.800 0.385 0.000 2.203 94 G HA2 -0.185 3.776 3.960 0.002 0.000 0.231 94 G HA3 -0.185 3.776 3.960 0.002 0.000 0.231 94 G C -0.235 174.848 174.900 0.305 0.000 1.058 94 G CA 0.301 45.675 45.100 0.456 0.000 0.781 94 G HN 1.050 nan 8.290 nan 0.000 0.496 95 K N -0.143 120.439 120.400 0.302 0.000 2.378 95 K HA 0.799 5.120 4.320 0.002 0.000 0.252 95 K C -3.041 173.704 176.600 0.242 0.000 0.931 95 K CA -2.327 54.106 56.287 0.243 0.000 0.794 95 K CB 3.003 35.608 32.500 0.175 0.000 1.181 95 K HN -0.016 nan 8.250 nan 0.000 0.425 96 P HA 0.132 nan 4.420 nan 0.000 0.278 96 P C 0.135 177.503 177.300 0.113 0.000 1.238 96 P CA -0.598 62.566 63.100 0.107 0.000 0.794 96 P CB 0.727 32.378 31.700 -0.082 0.000 0.955 97 I N 0.008 120.664 120.570 0.144 0.000 3.728 97 I HA 0.254 4.425 4.170 0.002 0.000 0.307 97 I C -0.629 175.605 176.117 0.195 0.000 1.276 97 I CA 0.754 62.141 61.300 0.143 0.000 1.285 97 I CB 0.029 38.115 38.000 0.142 0.000 1.038 97 I HN 0.162 nan 8.210 nan 0.000 0.445 98 Y N 0.234 120.571 120.300 0.061 0.000 2.702 98 Y HA 0.360 4.911 4.550 0.002 0.000 0.336 98 Y C -0.779 175.121 175.900 0.002 0.000 1.203 98 Y CA -1.183 56.957 58.100 0.067 0.000 1.072 98 Y CB 0.761 39.299 38.460 0.129 0.000 1.327 98 Y HN -0.098 nan 8.280 nan 0.000 0.456 99 N N 1.477 120.273 118.700 0.160 0.000 2.453 99 N HA 0.447 5.188 4.740 0.002 0.000 0.253 99 N C -0.674 174.940 175.510 0.174 0.000 1.252 99 N CA 0.590 53.714 53.050 0.124 0.000 0.917 99 N CB 1.092 39.656 38.487 0.128 0.000 1.117 99 N HN 0.759 nan 8.380 nan 0.000 0.442 100 A N 2.601 125.411 122.820 -0.017 0.000 2.488 100 A HA 0.219 4.540 4.320 0.002 0.000 0.249 100 A C 0.470 178.040 177.584 -0.023 0.000 1.083 100 A CA -0.041 51.948 52.037 -0.081 0.000 0.768 100 A CB -0.275 18.598 19.000 -0.212 0.000 1.017 100 A HN 0.619 nan 8.150 nan 0.000 0.496 101 I N 3.796 124.321 120.570 -0.075 0.000 2.325 101 I HA 0.185 4.357 4.170 0.002 0.000 0.291 101 I C -0.067 175.989 176.117 -0.101 0.000 1.019 101 I CA -0.526 60.692 61.300 -0.138 0.000 1.302 101 I CB 1.234 39.067 38.000 -0.278 0.000 1.401 101 I HN 0.337 nan 8.210 nan 0.000 0.485 102 V N 6.156 126.012 119.914 -0.096 0.000 2.834 102 V HA 0.034 4.155 4.120 0.002 0.000 0.301 102 V C 1.247 177.281 176.094 -0.101 0.000 1.066 102 V CA -0.517 61.722 62.300 -0.102 0.000 1.052 102 V CB 1.036 32.791 31.823 -0.112 0.000 1.021 102 V HN 0.921 nan 8.190 nan 0.000 0.480 103 W N 1.345 122.641 121.300 -0.006 0.000 2.321 103 W HA -0.215 4.446 4.660 0.001 0.000 0.306 103 W C 1.499 177.949 176.519 -0.114 0.000 1.217 103 W CA 1.369 58.743 57.345 0.048 0.000 1.257 103 W CB -0.924 28.662 29.460 0.209 0.000 1.145 103 W HN 0.649 nan 8.180 nan 0.000 0.509 104 Q N 0.809 120.202 119.800 -0.678 0.000 2.084 104 Q HA -0.138 4.204 4.340 0.002 0.000 0.202 104 Q C 1.559 177.293 176.000 -0.443 0.000 0.978 104 Q CA 1.328 56.668 55.803 -0.772 0.000 0.844 104 Q CB -0.445 27.781 28.738 -0.853 0.000 0.898 104 Q HN 0.210 nan 8.270 nan 0.000 0.426 105 C N 2.035 121.141 119.300 -0.325 0.000 2.465 105 C HA -0.072 4.389 4.460 0.002 0.000 0.402 105 C C 1.300 176.123 174.990 -0.279 0.000 1.448 105 C CA -0.044 58.820 59.018 -0.257 0.000 1.589 105 C CB -0.134 27.423 27.740 -0.306 0.000 2.535 105 C HN 0.362 nan 8.230 nan 0.000 0.600 106 R N 4.704 125.067 120.500 -0.228 0.000 2.427 106 R HA 0.046 4.388 4.340 0.002 0.000 0.262 106 R C 2.213 178.335 176.300 -0.296 0.000 0.943 106 R CA -0.065 55.921 56.100 -0.191 0.000 1.081 106 R CB -0.415 29.855 30.300 -0.050 0.000 1.166 106 R HN 0.864 nan 8.270 nan 0.000 0.534 107 R N 0.882 120.948 120.500 -0.723 0.000 2.094 107 R HA -0.105 4.236 4.340 0.002 0.000 0.239 107 R C 0.965 176.996 176.300 -0.449 0.000 1.137 107 R CA 2.163 57.724 56.100 -0.899 0.000 0.943 107 R CB -1.439 27.681 30.300 -1.967 0.000 0.850 107 R HN 0.034 nan 8.270 nan 0.000 0.433 108 T N -1.575 112.722 114.554 -0.427 0.000 3.658 108 T HA 0.391 4.742 4.350 0.002 0.000 0.250 108 T C 1.515 176.173 174.700 -0.071 0.000 1.060 108 T CA 0.360 62.367 62.100 -0.155 0.000 0.962 108 T CB 0.202 68.994 68.868 -0.126 0.000 1.075 108 T HN 0.401 nan 8.240 nan 0.000 0.610 109 A N 1.164 123.942 122.820 -0.070 0.000 2.015 109 A HA -0.033 4.288 4.320 0.002 0.000 0.219 109 A C 2.459 180.036 177.584 -0.013 0.000 1.163 109 A CA 0.938 52.943 52.037 -0.053 0.000 0.646 109 A CB -0.369 18.594 19.000 -0.061 0.000 0.806 109 A HN 0.591 nan 8.150 nan 0.000 0.448 110 E N -0.128 120.079 120.200 0.010 0.000 2.046 110 E HA -0.117 4.234 4.350 0.002 0.000 0.190 110 E C 1.964 178.372 176.600 -0.319 0.000 0.982 110 E CA 0.973 57.329 56.400 -0.073 0.000 0.800 110 E CB -0.241 29.466 29.700 0.013 0.000 0.756 110 E HN 0.695 nan 8.360 nan 0.000 0.449 111 I N 1.002 121.470 120.570 -0.169 0.000 2.113 111 I HA -0.419 3.752 4.170 0.002 0.000 0.242 111 I C 2.646 178.701 176.117 -0.104 0.000 1.064 111 I CA 1.271 62.497 61.300 -0.123 0.000 1.320 111 I CB -0.605 37.429 38.000 0.057 0.000 1.028 111 I HN 0.227 nan 8.210 nan 0.000 0.406 112 C N 0.358 119.635 119.300 -0.039 0.000 2.411 112 C HA -0.122 4.339 4.460 0.002 0.000 0.279 112 C C 2.591 177.590 174.990 0.015 0.000 1.288 112 C CA 0.408 59.435 59.018 0.016 0.000 1.764 112 C CB -1.142 26.624 27.740 0.044 0.000 1.974 112 C HN 0.496 nan 8.230 nan 0.000 0.498 113 E N 0.327 120.496 120.200 -0.051 0.000 2.204 113 E HA -0.116 4.235 4.350 0.002 0.000 0.194 113 E C 1.647 178.285 176.600 0.063 0.000 0.989 113 E CA 1.097 57.500 56.400 0.006 0.000 0.824 113 E CB -0.398 29.304 29.700 0.003 0.000 0.756 113 E HN 0.789 nan 8.360 nan 0.000 0.477 114 H N 0.415 119.541 119.070 0.094 0.000 2.284 114 H HA 0.025 4.582 4.556 0.001 0.000 0.304 114 H C 2.405 177.771 175.328 0.063 0.000 1.069 114 H CA 0.879 56.971 56.048 0.073 0.000 1.327 114 H CB -0.036 29.763 29.762 0.062 0.000 1.387 114 H HN 0.001 nan 8.280 nan 0.000 0.498 115 L N 0.914 122.250 121.223 0.189 0.000 2.064 115 L HA -0.284 4.057 4.340 0.002 0.000 0.216 115 L C 2.262 179.197 176.870 0.108 0.000 1.077 115 L CA 1.516 56.429 54.840 0.122 0.000 0.766 115 L CB -0.431 41.686 42.059 0.097 0.000 0.890 115 L HN 0.305 nan 8.230 nan 0.000 0.435 116 K N -0.572 119.895 120.400 0.111 0.000 2.217 116 K HA -0.131 4.190 4.320 0.002 0.000 0.202 116 K C 2.252 178.914 176.600 0.105 0.000 1.051 116 K CA 0.735 57.084 56.287 0.104 0.000 0.952 116 K CB -0.081 32.484 32.500 0.109 0.000 0.736 116 K HN 0.259 nan 8.250 nan 0.000 0.453 117 R N 0.853 121.429 120.500 0.127 0.000 2.119 117 R HA -0.095 4.247 4.340 0.002 0.000 0.222 117 R C 1.248 177.599 176.300 0.084 0.000 1.088 117 R CA 1.190 57.362 56.100 0.120 0.000 0.984 117 R CB 0.178 30.581 30.300 0.171 0.000 0.884 117 R HN 0.132 nan 8.270 nan 0.000 0.447 118 D N -1.473 118.977 120.400 0.083 0.000 2.091 118 D HA -0.008 4.633 4.640 0.002 0.000 0.199 118 D C 1.177 177.501 176.300 0.040 0.000 0.980 118 D CA 1.800 55.830 54.000 0.050 0.000 0.831 118 D CB 0.210 41.035 40.800 0.043 0.000 0.987 118 D HN 0.476 nan 8.370 nan 0.000 0.460 119 G N -0.545 108.286 108.800 0.051 0.000 2.370 119 G HA2 -0.168 3.793 3.960 0.002 0.000 0.174 119 G HA3 -0.168 3.793 3.960 0.002 0.000 0.174 119 G C 1.034 175.973 174.900 0.065 0.000 1.002 119 G CA 0.167 45.298 45.100 0.052 0.000 0.730 119 G HN 0.264 nan 8.290 nan 0.000 0.497 120 L N 0.576 121.838 121.223 0.065 0.000 2.450 120 L HA 0.122 4.463 4.340 0.002 0.000 0.224 120 L C 2.962 179.914 176.870 0.136 0.000 1.149 120 L CA 1.751 56.648 54.840 0.095 0.000 0.816 120 L CB -1.152 40.942 42.059 0.059 0.000 0.932 120 L HN 0.480 nan 8.230 nan 0.000 0.449 121 E N 1.046 121.305 120.200 0.097 0.000 2.048 121 E HA -0.328 4.023 4.350 0.002 0.000 0.202 121 E C 1.858 178.502 176.600 0.073 0.000 1.021 121 E CA 2.079 58.526 56.400 0.078 0.000 0.825 121 E CB -0.767 28.971 29.700 0.063 0.000 0.756 121 E HN 0.508 nan 8.360 nan 0.000 0.454 122 D N -1.365 119.082 120.400 0.078 0.000 2.092 122 D HA -0.132 4.509 4.640 0.002 0.000 0.193 122 D C 1.912 178.253 176.300 0.069 0.000 0.994 122 D CA 1.729 55.766 54.000 0.060 0.000 0.828 122 D CB -0.380 40.456 40.800 0.059 0.000 0.963 122 D HN 0.564 nan 8.370 nan 0.000 0.450 123 Y N 1.781 122.080 120.300 -0.002 0.000 2.049 123 Y HA -0.208 4.343 4.550 0.001 0.000 0.277 123 Y C 2.434 178.330 175.900 -0.007 0.000 1.143 123 Y CA 1.515 59.611 58.100 -0.007 0.000 1.115 123 Y CB -0.475 37.983 38.460 -0.003 0.000 0.975 123 Y HN -0.079 nan 8.280 nan 0.000 0.487 124 I N 0.580 121.323 120.570 0.288 0.000 2.248 124 I HA -0.402 3.769 4.170 0.002 0.000 0.248 124 I C 2.805 178.901 176.117 -0.034 0.000 1.107 124 I CA 1.903 63.291 61.300 0.146 0.000 1.373 124 I CB -1.476 36.597 38.000 0.121 0.000 1.055 124 I HN 0.409 nan 8.210 nan 0.000 0.418 125 R N 0.888 121.366 120.500 -0.038 0.000 2.070 125 R HA -0.137 4.205 4.340 0.002 0.000 0.233 125 R C 2.313 178.561 176.300 -0.087 0.000 1.137 125 R CA 1.963 58.022 56.100 -0.069 0.000 0.945 125 R CB -1.674 28.598 30.300 -0.047 0.000 0.845 125 R HN 0.370 nan 8.270 nan 0.000 0.430 126 S N 1.007 116.639 115.700 -0.114 0.000 2.387 126 S HA -0.150 4.321 4.470 0.002 0.000 0.230 126 S C 1.593 176.149 174.600 -0.073 0.000 1.035 126 S CA 1.525 59.653 58.200 -0.120 0.000 1.014 126 S CB -0.192 62.895 63.200 -0.189 0.000 0.836 126 S HN 0.763 nan 8.310 nan 0.000 0.466 127 N N -0.022 118.547 118.700 -0.218 0.000 2.414 127 N HA 0.006 4.747 4.740 0.002 0.000 0.177 127 N C 1.651 177.155 175.510 -0.010 0.000 1.062 127 N CA 1.301 54.284 53.050 -0.112 0.000 0.890 127 N CB -0.047 38.210 38.487 -0.384 0.000 1.070 127 N HN 0.564 nan 8.380 nan 0.000 0.454 128 T N -2.859 111.659 114.554 -0.060 0.000 3.040 128 T HA 0.291 4.642 4.350 0.002 0.000 0.252 128 T C 1.610 176.256 174.700 -0.090 0.000 1.064 128 T CA 0.962 63.034 62.100 -0.046 0.000 1.110 128 T CB 0.416 69.234 68.868 -0.083 0.000 0.921 128 T HN 0.246 nan 8.240 nan 0.000 0.480 129 G N 1.452 110.191 108.800 -0.102 0.000 2.234 129 G HA2 -0.224 3.737 3.960 0.002 0.000 0.260 129 G HA3 -0.224 3.737 3.960 0.002 0.000 0.260 129 G C 0.129 174.946 174.900 -0.139 0.000 0.987 129 G CA 0.388 45.425 45.100 -0.105 0.000 0.625 129 G HN 0.608 nan 8.290 nan 0.000 0.532 130 L N -0.238 120.841 121.223 -0.240 0.000 2.482 130 L HA 0.675 5.016 4.340 0.002 0.000 0.242 130 L C 0.785 177.492 176.870 -0.271 0.000 1.210 130 L CA -0.546 54.043 54.840 -0.418 0.000 0.819 130 L CB 0.967 42.526 42.059 -0.835 0.000 1.203 130 L HN 0.019 nan 8.230 nan 0.000 0.495 131 V N 0.859 120.623 119.914 -0.249 0.000 2.789 131 V HA 0.326 4.447 4.120 0.002 0.000 0.311 131 V C 0.067 176.186 176.094 0.041 0.000 1.073 131 V CA -0.682 61.515 62.300 -0.172 0.000 0.921 131 V CB 2.400 33.907 31.823 -0.526 0.000 1.009 131 V HN 0.407 nan 8.190 nan 0.000 0.426 132 I N 4.985 125.578 120.570 0.039 0.000 2.680 132 I HA 0.215 4.386 4.170 0.002 0.000 0.286 132 I C -0.106 176.102 176.117 0.151 0.000 1.144 132 I CA 0.937 62.308 61.300 0.118 0.000 1.370 132 I CB -0.314 37.740 38.000 0.089 0.000 1.420 132 I HN 0.601 nan 8.210 nan 0.000 0.540 133 D N 8.769 129.312 120.400 0.239 0.000 2.706 133 D HA 0.210 4.851 4.640 0.002 0.000 0.225 133 D C -2.480 173.899 176.300 0.132 0.000 1.241 133 D CA -1.307 52.803 54.000 0.183 0.000 0.784 133 D CB 3.105 44.043 40.800 0.231 0.000 1.521 133 D HN 0.017 nan 8.370 nan 0.000 0.461 134 P HA -0.065 nan 4.420 nan 0.000 0.239 134 P C 1.170 178.462 177.300 -0.014 0.000 1.184 134 P CA 0.372 63.470 63.100 -0.004 0.000 0.760 134 P CB -0.159 31.491 31.700 -0.082 0.000 0.884 135 Y N 1.057 121.204 120.300 -0.255 0.000 2.128 135 Y HA -0.136 4.415 4.550 0.002 0.000 0.284 135 Y C 0.719 176.371 175.900 -0.413 0.000 1.154 135 Y CA 0.413 58.270 58.100 -0.404 0.000 1.149 135 Y CB -1.243 36.850 38.460 -0.612 0.000 0.976 135 Y HN -0.212 nan 8.280 nan 0.000 0.505 136 F N -0.443 119.556 119.950 0.081 0.000 2.370 136 F HA 0.273 4.801 4.527 0.001 0.000 0.319 136 F C 1.974 177.784 175.800 0.017 0.000 1.129 136 F CA 0.060 58.016 58.000 -0.073 0.000 1.109 136 F CB 0.081 39.030 39.000 -0.084 0.000 1.262 136 F HN -0.324 nan 8.300 nan 0.000 0.534 137 S N 1.060 116.924 115.700 0.274 0.000 2.368 137 S HA -0.216 4.256 4.470 0.002 0.000 0.226 137 S C 2.334 177.031 174.600 0.161 0.000 1.044 137 S CA 1.583 59.924 58.200 0.235 0.000 1.062 137 S CB -1.035 62.371 63.200 0.342 0.000 0.931 137 S HN 0.983 nan 8.310 nan 0.000 0.440 138 G N 2.017 110.888 108.800 0.119 0.000 2.839 138 G HA2 -0.420 3.541 3.960 0.002 0.000 0.221 138 G HA3 -0.420 3.541 3.960 0.002 0.000 0.221 138 G C 1.661 176.591 174.900 0.049 0.000 1.271 138 G CA 2.752 47.879 45.100 0.046 0.000 0.789 138 G HN 0.658 nan 8.290 nan 0.000 0.659 139 T N -0.517 114.085 114.554 0.079 0.000 2.778 139 T HA -0.099 4.252 4.350 0.002 0.000 0.269 139 T C 2.108 176.847 174.700 0.065 0.000 1.050 139 T CA 1.927 64.071 62.100 0.073 0.000 1.137 139 T CB -0.308 68.601 68.868 0.068 0.000 0.860 139 T HN 0.518 nan 8.240 nan 0.000 0.468 140 K N 0.826 121.247 120.400 0.034 0.000 2.002 140 K HA -0.012 4.309 4.320 0.002 0.000 0.209 140 K C 2.440 179.088 176.600 0.081 0.000 1.048 140 K CA 1.354 57.635 56.287 -0.011 0.000 0.930 140 K CB -0.858 31.620 32.500 -0.037 0.000 0.714 140 K HN 0.212 nan 8.250 nan 0.000 0.438 141 V N 2.460 122.439 119.914 0.108 0.000 2.231 141 V HA -0.361 3.760 4.120 0.002 0.000 0.250 141 V C 2.554 178.706 176.094 0.096 0.000 1.058 141 V CA 2.320 64.684 62.300 0.108 0.000 1.022 141 V CB -0.612 31.211 31.823 0.001 0.000 0.640 141 V HN 0.424 nan 8.190 nan 0.000 0.445 142 K N -1.118 119.328 120.400 0.076 0.000 2.034 142 K HA -0.324 3.997 4.320 0.002 0.000 0.214 142 K C 2.010 178.703 176.600 0.154 0.000 1.051 142 K CA 2.642 58.981 56.287 0.086 0.000 0.931 142 K CB -0.563 31.985 32.500 0.081 0.000 0.715 142 K HN 0.535 nan 8.250 nan 0.000 0.446 143 W N 1.487 122.787 121.300 0.001 0.000 2.302 143 W HA -0.252 4.409 4.660 0.001 0.000 0.320 143 W C 1.764 178.312 176.519 0.047 0.000 1.241 143 W CA 2.312 59.670 57.345 0.022 0.000 1.264 143 W CB -0.231 29.114 29.460 -0.193 0.000 1.154 143 W HN 0.111 nan 8.180 nan 0.000 0.483 144 I N 0.233 120.988 120.570 0.309 0.000 2.163 144 I HA -0.366 3.806 4.170 0.002 0.000 0.243 144 I C 2.283 178.447 176.117 0.079 0.000 1.085 144 I CA 1.642 63.042 61.300 0.168 0.000 1.347 144 I CB -0.912 37.173 38.000 0.142 0.000 1.044 144 I HN 0.054 nan 8.210 nan 0.000 0.408 145 L N -0.026 121.233 121.223 0.061 0.000 2.201 145 L HA -0.185 4.156 4.340 0.002 0.000 0.212 145 L C 1.779 178.630 176.870 -0.032 0.000 1.105 145 L CA 0.942 55.791 54.840 0.015 0.000 0.775 145 L CB -0.644 41.414 42.059 -0.002 0.000 0.913 145 L HN 0.193 nan 8.230 nan 0.000 0.440 146 D N -0.982 119.390 120.400 -0.046 0.000 2.312 146 D HA -0.088 4.554 4.640 0.002 0.000 0.211 146 D C 0.876 176.955 176.300 -0.369 0.000 0.964 146 D CA 1.049 54.948 54.000 -0.169 0.000 0.877 146 D CB 0.033 40.733 40.800 -0.168 0.000 0.924 146 D HN 0.394 nan 8.370 nan 0.000 0.515 147 H N -1.372 117.499 119.070 -0.332 0.000 2.467 147 H HA 0.444 5.001 4.556 0.002 0.000 0.275 147 H C -0.798 174.451 175.328 -0.132 0.000 1.131 147 H CA -0.279 55.546 56.048 -0.373 0.000 0.989 147 H CB 0.565 29.816 29.762 -0.852 0.000 1.696 147 H HN -0.230 nan 8.280 nan 0.000 0.574 148 V N -0.194 119.710 119.914 -0.017 0.000 2.851 148 V HA 0.344 4.465 4.120 0.002 0.000 0.307 148 V C 0.945 177.028 176.094 -0.017 0.000 1.129 148 V CA -0.161 62.153 62.300 0.024 0.000 0.932 148 V CB 1.656 33.522 31.823 0.073 0.000 1.024 148 V HN 0.537 nan 8.190 nan 0.000 0.426 149 E N 2.922 123.118 120.200 -0.007 0.000 2.001 149 E HA -0.011 4.340 4.350 0.002 0.000 0.195 149 E C 1.374 177.964 176.600 -0.017 0.000 1.002 149 E CA 1.166 57.555 56.400 -0.019 0.000 0.819 149 E CB -0.642 29.052 29.700 -0.010 0.000 0.769 149 E HN 1.262 nan 8.360 nan 0.000 0.454 150 G N -0.214 108.583 108.800 -0.004 0.000 2.807 150 G HA2 0.434 4.395 3.960 0.002 0.000 0.316 150 G HA3 0.434 4.395 3.960 0.002 0.000 0.316 150 G C 0.283 175.181 174.900 -0.002 0.000 0.900 150 G CA 0.549 45.646 45.100 -0.005 0.000 1.499 150 G HN 0.298 nan 8.290 nan 0.000 0.484 151 S N 1.617 117.310 115.700 -0.012 0.000 3.414 151 S HA 0.173 4.645 4.470 0.002 0.000 0.193 151 S C 2.243 176.829 174.600 -0.023 0.000 0.825 151 S CA -0.260 57.935 58.200 -0.010 0.000 0.837 151 S CB 0.085 63.282 63.200 -0.005 0.000 0.940 151 S HN 0.500 nan 8.310 nan 0.000 0.639 152 R N 1.407 121.889 120.500 -0.030 0.000 2.148 152 R HA -0.149 4.192 4.340 0.002 0.000 0.230 152 R C 2.554 178.830 176.300 -0.040 0.000 1.120 152 R CA 2.400 58.476 56.100 -0.040 0.000 0.902 152 R CB -1.073 29.202 30.300 -0.041 0.000 0.839 152 R HN 0.558 nan 8.270 nan 0.000 0.431 153 E N 1.380 121.559 120.200 -0.034 0.000 2.110 153 E HA -0.346 4.005 4.350 0.002 0.000 0.225 153 E C 1.881 178.463 176.600 -0.030 0.000 1.063 153 E CA 2.264 58.646 56.400 -0.030 0.000 0.906 153 E CB -0.949 28.736 29.700 -0.025 0.000 0.795 153 E HN 0.510 nan 8.360 nan 0.000 0.479 154 R N -0.230 120.254 120.500 -0.026 0.000 2.185 154 R HA -0.062 4.279 4.340 0.002 0.000 0.247 154 R C 2.595 178.870 176.300 -0.041 0.000 1.159 154 R CA 1.321 57.405 56.100 -0.027 0.000 0.988 154 R CB -0.346 29.943 30.300 -0.019 0.000 0.871 154 R HN 0.520 nan 8.270 nan 0.000 0.458 155 A N 0.384 123.174 122.820 -0.049 0.000 2.044 155 A HA 0.016 4.337 4.320 0.002 0.000 0.213 155 A C 1.825 179.368 177.584 -0.069 0.000 1.169 155 A CA 0.224 52.219 52.037 -0.069 0.000 0.724 155 A CB 0.049 19.002 19.000 -0.078 0.000 0.840 155 A HN 0.122 nan 8.150 nan 0.000 0.463 156 R N -0.531 119.936 120.500 -0.054 0.000 2.090 156 R HA -0.090 4.251 4.340 0.002 0.000 0.228 156 R C 2.314 178.590 176.300 -0.041 0.000 1.110 156 R CA 1.345 57.416 56.100 -0.049 0.000 0.973 156 R CB -0.401 29.875 30.300 -0.040 0.000 0.869 156 R HN 0.478 nan 8.270 nan 0.000 0.440 157 R N 1.247 121.725 120.500 -0.037 0.000 2.323 157 R HA 0.063 4.404 4.340 0.002 0.000 0.198 157 R C 1.299 177.577 176.300 -0.037 0.000 0.988 157 R CA 0.850 56.932 56.100 -0.030 0.000 1.041 157 R CB -1.300 28.986 30.300 -0.023 0.000 0.926 157 R HN 0.484 nan 8.270 nan 0.000 0.476 158 G N 1.272 110.040 108.800 -0.053 0.000 2.338 158 G HA2 -0.295 3.666 3.960 0.002 0.000 0.296 158 G HA3 -0.295 3.666 3.960 0.002 0.000 0.296 158 G C 0.535 175.388 174.900 -0.078 0.000 1.040 158 G CA 0.519 45.575 45.100 -0.073 0.000 1.004 158 G HN 0.735 nan 8.290 nan 0.000 0.509 159 E N -1.127 119.029 120.200 -0.072 0.000 2.474 159 E HA 0.218 4.570 4.350 0.002 0.000 0.194 159 E C 0.937 177.469 176.600 -0.113 0.000 1.041 159 E CA 0.019 56.381 56.400 -0.062 0.000 0.874 159 E CB 0.632 30.316 29.700 -0.028 0.000 0.914 159 E HN 0.549 nan 8.360 nan 0.000 0.498 160 L N 2.484 123.608 121.223 -0.164 0.000 2.298 160 L HA 0.409 4.751 4.340 0.002 0.000 0.284 160 L C -0.497 176.136 176.870 -0.394 0.000 1.013 160 L CA -0.543 54.148 54.840 -0.247 0.000 0.824 160 L CB 1.358 43.333 42.059 -0.140 0.000 1.221 160 L HN -0.012 nan 8.230 nan 0.000 0.418 161 L N 3.305 124.071 121.223 -0.761 0.000 2.325 161 L HA 0.502 4.843 4.340 0.002 0.000 0.278 161 L C -0.470 175.773 176.870 -1.044 0.000 1.023 161 L CA -0.530 53.653 54.840 -1.095 0.000 0.811 161 L CB 1.974 42.808 42.059 -2.042 0.000 1.249 161 L HN 0.400 nan 8.230 nan 0.000 0.431 162 F N 1.257 120.865 119.950 -0.570 0.000 2.450 162 F HA 0.856 5.384 4.527 0.002 0.000 0.328 162 F C 0.236 176.162 175.800 0.211 0.000 1.068 162 F CA -0.206 57.704 58.000 -0.150 0.000 1.007 162 F CB 2.001 40.950 39.000 -0.085 0.000 1.251 162 F HN 0.453 nan 8.300 nan 0.000 0.492 163 G N 1.186 109.286 108.800 -1.167 0.000 2.355 163 G HA2 0.447 4.408 3.960 0.002 0.000 0.296 163 G HA3 0.447 4.408 3.960 0.002 0.000 0.296 163 G C -1.479 173.039 174.900 -0.637 0.000 1.507 163 G CA -0.369 44.396 45.100 -0.559 0.000 0.823 163 G HN 0.909 nan 8.290 nan 0.000 0.569 164 T N -1.937 112.422 114.554 -0.324 0.000 2.948 164 T HA 0.551 4.902 4.350 0.002 0.000 0.285 164 T C 1.456 176.093 174.700 -0.104 0.000 1.019 164 T CA 0.032 62.022 62.100 -0.183 0.000 1.013 164 T CB 1.493 70.307 68.868 -0.089 0.000 1.117 164 T HN 0.860 nan 8.240 nan 0.000 0.533 165 V N 1.798 121.663 119.914 -0.082 0.000 2.688 165 V HA -0.177 3.944 4.120 0.002 0.000 0.256 165 V C 2.513 178.611 176.094 0.007 0.000 1.084 165 V CA 2.192 64.478 62.300 -0.023 0.000 1.103 165 V CB -1.202 30.601 31.823 -0.033 0.000 0.688 165 V HN 1.006 nan 8.190 nan 0.000 0.480 166 D N -0.262 120.112 120.400 -0.043 0.000 2.085 166 D HA -0.156 4.485 4.640 0.002 0.000 0.199 166 D C 1.979 178.236 176.300 -0.072 0.000 0.981 166 D CA 1.861 55.817 54.000 -0.073 0.000 0.834 166 D CB -0.980 39.748 40.800 -0.120 0.000 0.992 166 D HN 0.359 nan 8.370 nan 0.000 0.457 167 T N 0.414 114.935 114.554 -0.056 0.000 2.597 167 T HA -0.217 4.134 4.350 0.002 0.000 0.267 167 T C 1.490 176.212 174.700 0.037 0.000 1.053 167 T CA 1.670 63.775 62.100 0.008 0.000 1.165 167 T CB -0.793 68.100 68.868 0.041 0.000 0.863 167 T HN 0.382 nan 8.240 nan 0.000 0.427 168 W N 1.727 122.871 121.300 -0.260 0.000 2.315 168 W HA -0.138 4.524 4.660 0.002 0.000 0.323 168 W C 1.882 178.184 176.519 -0.362 0.000 1.233 168 W CA 1.133 58.164 57.345 -0.523 0.000 1.267 168 W CB -0.767 28.279 29.460 -0.689 0.000 1.160 168 W HN 0.244 nan 8.180 nan 0.000 0.474 169 L N 0.267 121.364 121.223 -0.210 0.000 2.131 169 L HA -0.290 4.051 4.340 0.002 0.000 0.210 169 L C 2.606 179.291 176.870 -0.308 0.000 1.092 169 L CA 0.967 55.633 54.840 -0.291 0.000 0.759 169 L CB -0.781 41.263 42.059 -0.024 0.000 0.903 169 L HN -0.008 nan 8.230 nan 0.000 0.435 170 I N -0.915 119.551 120.570 -0.173 0.000 2.072 170 I HA -0.353 3.818 4.170 0.002 0.000 0.235 170 I C 2.352 178.417 176.117 -0.087 0.000 1.058 170 I CA 1.867 63.107 61.300 -0.100 0.000 1.320 170 I CB -0.826 37.142 38.000 -0.053 0.000 1.047 170 I HN 0.471 nan 8.210 nan 0.000 0.397 171 W N 2.401 123.560 121.300 -0.235 0.000 2.274 171 W HA -0.326 4.335 4.660 0.002 0.000 0.314 171 W C 2.487 178.750 176.519 -0.427 0.000 1.254 171 W CA 1.754 58.971 57.345 -0.213 0.000 1.265 171 W CB -0.019 29.416 29.460 -0.042 0.000 1.141 171 W HN -0.009 nan 8.180 nan 0.000 0.505 172 K N -0.067 120.121 120.400 -0.355 0.000 2.283 172 K HA -0.138 4.183 4.320 0.002 0.000 0.202 172 K C 1.726 177.988 176.600 -0.563 0.000 1.048 172 K CA 2.070 57.900 56.287 -0.763 0.000 0.948 172 K CB -0.702 30.672 32.500 -1.876 0.000 0.742 172 K HN 0.533 nan 8.250 nan 0.000 0.458 173 M N -0.926 118.456 119.600 -0.363 0.000 2.545 173 M HA 0.050 4.532 4.480 0.002 0.000 0.264 173 M C 1.466 177.689 176.300 -0.128 0.000 1.155 173 M CA 1.036 56.241 55.300 -0.158 0.000 1.162 173 M CB -0.520 32.057 32.600 -0.037 0.000 1.330 173 M HN -0.132 nan 8.290 nan 0.000 0.479 174 T N -1.831 112.632 114.554 -0.152 0.000 3.393 174 T HA 0.336 4.687 4.350 0.002 0.000 0.248 174 T C 1.059 175.608 174.700 -0.252 0.000 0.992 174 T CA 0.476 62.491 62.100 -0.141 0.000 0.929 174 T CB -0.574 68.241 68.868 -0.089 0.000 1.065 174 T HN 0.591 nan 8.240 nan 0.000 0.597 175 Q N -0.079 119.549 119.800 -0.287 0.000 2.358 175 Q HA -0.120 4.221 4.340 0.002 0.000 0.318 175 Q C 1.796 177.412 176.000 -0.640 0.000 1.243 175 Q CA 1.737 57.315 55.803 -0.375 0.000 0.949 175 Q CB -2.754 25.852 28.738 -0.221 0.000 1.224 175 Q HN 2.339 nan 8.270 nan 0.000 0.473 176 G N -3.698 104.475 108.800 -1.045 0.000 2.195 176 G HA2 0.000 3.962 3.960 0.002 0.000 0.246 176 G HA3 0.000 3.962 3.960 0.002 0.000 0.246 176 G C 1.072 175.467 174.900 -0.842 0.000 0.984 176 G CA 1.671 45.743 45.100 -1.713 0.000 0.633 176 G HN 2.062 nan 8.290 nan 0.000 0.525 177 R N 0.186 120.408 120.500 -0.463 0.000 2.092 177 R HA 0.488 4.829 4.340 0.002 0.000 0.226 177 R C 1.760 178.004 176.300 -0.094 0.000 1.140 177 R CA 2.007 57.981 56.100 -0.210 0.000 0.910 177 R CB -1.099 29.119 30.300 -0.135 0.000 0.822 177 R HN 1.146 nan 8.270 nan 0.000 0.433 178 V N 1.442 121.331 119.914 -0.043 0.000 2.455 178 V HA 0.309 4.430 4.120 0.002 0.000 0.273 178 V C -0.371 175.874 176.094 0.251 0.000 1.045 178 V CA -0.059 62.294 62.300 0.088 0.000 0.976 178 V CB 0.757 32.622 31.823 0.070 0.000 0.993 178 V HN 0.729 nan 8.190 nan 0.000 0.475 179 H N 3.944 123.139 119.070 0.208 0.000 2.541 179 H HA 0.667 5.225 4.556 0.002 0.000 0.246 179 H C -1.008 174.442 175.328 0.203 0.000 1.341 179 H CA -0.226 56.002 56.048 0.300 0.000 1.469 179 H CB 1.136 31.132 29.762 0.390 0.000 1.472 179 H HN 0.488 nan 8.280 nan 0.000 0.503 180 V N 3.322 123.255 119.914 0.031 0.000 2.962 180 V HA 0.680 4.801 4.120 0.002 0.000 0.313 180 V C -0.667 175.355 176.094 -0.122 0.000 1.099 180 V CA -0.307 61.965 62.300 -0.047 0.000 0.971 180 V CB 2.422 34.261 31.823 0.026 0.000 1.028 180 V HN 0.723 nan 8.190 nan 0.000 0.430 181 T N 2.418 116.891 114.554 -0.135 0.000 2.907 181 T HA 0.471 4.822 4.350 0.002 0.000 0.290 181 T C -1.045 173.503 174.700 -0.252 0.000 1.066 181 T CA -0.364 61.634 62.100 -0.171 0.000 1.012 181 T CB 1.567 70.379 68.868 -0.093 0.000 1.184 181 T HN 1.018 nan 8.240 nan 0.000 0.522 182 D N 0.324 120.563 120.400 -0.267 0.000 2.539 182 D HA 0.175 4.816 4.640 0.002 0.000 0.276 182 D C 0.607 176.703 176.300 -0.339 0.000 1.206 182 D CA -0.282 53.565 54.000 -0.255 0.000 1.081 182 D CB 0.354 41.056 40.800 -0.163 0.000 1.142 182 D HN 0.572 nan 8.370 nan 0.000 0.595 183 Y N -0.587 119.591 120.300 -0.204 0.000 2.243 183 Y HA -0.115 4.436 4.550 0.002 0.000 0.293 183 Y C 2.874 178.572 175.900 -0.335 0.000 1.124 183 Y CA 1.915 59.837 58.100 -0.296 0.000 1.159 183 Y CB -0.680 37.675 38.460 -0.175 0.000 1.008 183 Y HN 0.543 nan 8.280 nan 0.000 0.527 184 T N -1.651 112.850 114.554 -0.089 0.000 2.622 184 T HA -0.259 4.092 4.350 0.002 0.000 0.266 184 T C 1.663 176.265 174.700 -0.164 0.000 1.047 184 T CA 1.954 63.985 62.100 -0.116 0.000 1.159 184 T CB -0.996 67.817 68.868 -0.091 0.000 0.863 184 T HN 0.320 nan 8.240 nan 0.000 0.422 185 N N 2.138 120.735 118.700 -0.172 0.000 2.061 185 N HA -0.031 4.710 4.740 0.002 0.000 0.193 185 N C 2.239 177.642 175.510 -0.179 0.000 1.030 185 N CA 1.453 54.410 53.050 -0.156 0.000 0.856 185 N CB -0.514 37.892 38.487 -0.134 0.000 1.023 185 N HN 0.600 nan 8.380 nan 0.000 0.424 186 A N 0.424 123.044 122.820 -0.333 0.000 2.019 186 A HA -0.151 4.170 4.320 0.002 0.000 0.219 186 A C 2.194 179.513 177.584 -0.442 0.000 1.164 186 A CA 1.734 53.489 52.037 -0.471 0.000 0.644 186 A CB -0.757 17.562 19.000 -1.135 0.000 0.805 186 A HN 0.436 nan 8.150 nan 0.000 0.449 187 S N -0.031 115.418 115.700 -0.419 0.000 2.399 187 S HA -0.171 4.300 4.470 0.002 0.000 0.231 187 S C 1.775 176.307 174.600 -0.113 0.000 1.022 187 S CA 1.023 59.113 58.200 -0.183 0.000 0.983 187 S CB -0.392 62.747 63.200 -0.102 0.000 0.803 187 S HN 0.525 nan 8.310 nan 0.000 0.480 188 R N 1.022 121.460 120.500 -0.102 0.000 2.237 188 R HA 0.107 4.448 4.340 0.002 0.000 0.219 188 R C 2.061 178.375 176.300 0.024 0.000 1.080 188 R CA 1.015 57.083 56.100 -0.054 0.000 0.995 188 R CB -1.797 28.483 30.300 -0.035 0.000 0.875 188 R HN 0.468 nan 8.270 nan 0.000 0.462 189 T N 0.077 114.666 114.554 0.058 0.000 2.942 189 T HA 0.053 4.404 4.350 0.002 0.000 0.265 189 T C 1.252 176.012 174.700 0.100 0.000 1.062 189 T CA 0.970 63.166 62.100 0.160 0.000 1.139 189 T CB -0.014 69.011 68.868 0.262 0.000 0.883 189 T HN 0.272 nan 8.240 nan 0.000 0.468 190 M N -1.171 118.427 119.600 -0.003 0.000 2.990 190 M HA -0.194 4.287 4.480 0.002 0.000 0.206 190 M C 0.250 176.606 176.300 0.094 0.000 0.594 190 M CA 0.736 56.023 55.300 -0.021 0.000 0.787 190 M CB -1.289 31.299 32.600 -0.019 0.000 2.812 190 M HN 0.260 nan 8.290 nan 0.000 0.300 191 L N -1.524 119.811 121.223 0.186 0.000 2.672 191 L HA 0.301 4.642 4.340 0.002 0.000 0.236 191 L C 0.517 177.669 176.870 0.469 0.000 1.092 191 L CA -0.084 54.914 54.840 0.263 0.000 0.887 191 L CB 0.282 42.468 42.059 0.211 0.000 1.168 191 L HN 0.274 nan 8.230 nan 0.000 0.502 192 F N 1.289 121.379 119.950 0.233 0.000 2.425 192 F HA 0.397 4.925 4.527 0.002 0.000 0.331 192 F C 0.290 176.115 175.800 0.041 0.000 1.085 192 F CA -0.758 57.306 58.000 0.106 0.000 1.028 192 F CB 0.975 39.908 39.000 -0.112 0.000 1.177 192 F HN -0.177 nan 8.300 nan 0.000 0.487 193 N N 5.606 124.056 118.700 -0.417 0.000 2.426 193 N HA 0.161 4.902 4.740 0.002 0.000 0.275 193 N C 0.718 176.117 175.510 -0.185 0.000 1.019 193 N CA -0.316 52.614 53.050 -0.200 0.000 0.941 193 N CB 1.096 39.472 38.487 -0.185 0.000 1.123 193 N HN 0.824 nan 8.380 nan 0.000 0.486 194 I N 1.073 121.675 120.570 0.053 0.000 3.428 194 I HA 0.019 4.190 4.170 0.002 0.000 0.286 194 I C 1.081 177.189 176.117 -0.015 0.000 1.287 194 I CA 0.486 61.839 61.300 0.088 0.000 1.396 194 I CB -0.143 37.921 38.000 0.107 0.000 1.062 194 I HN 0.462 nan 8.210 nan 0.000 0.471 195 H N 1.126 120.196 119.070 0.001 0.000 2.406 195 H HA 0.039 4.596 4.556 0.002 0.000 0.304 195 H C 2.210 177.528 175.328 -0.017 0.000 1.042 195 H CA 1.582 57.642 56.048 0.021 0.000 1.360 195 H CB -0.159 29.577 29.762 -0.044 0.000 1.448 195 H HN 0.449 nan 8.280 nan 0.000 0.553 196 T N 0.046 114.652 114.554 0.087 0.000 3.160 196 T HA 0.008 4.359 4.350 0.002 0.000 0.257 196 T C 1.010 175.643 174.700 -0.113 0.000 1.147 196 T CA -0.038 62.047 62.100 -0.026 0.000 1.064 196 T CB -0.499 68.325 68.868 -0.073 0.000 0.949 196 T HN 0.148 nan 8.240 nan 0.000 0.526 197 L N 0.781 121.910 121.223 -0.157 0.000 3.839 197 L HA -0.127 4.215 4.340 0.002 0.000 0.416 197 L C -0.178 176.416 176.870 -0.460 0.000 1.195 197 L CA 1.207 55.949 54.840 -0.164 0.000 0.946 197 L CB -1.956 40.143 42.059 0.067 0.000 1.891 197 L HN 0.639 nan 8.230 nan 0.000 0.963 198 D N -2.687 117.122 120.400 -0.984 0.000 2.622 198 D HA 0.363 5.004 4.640 0.002 0.000 0.255 198 D C -0.827 175.013 176.300 -0.768 0.000 1.246 198 D CA -0.492 52.988 54.000 -0.867 0.000 0.795 198 D CB 0.675 41.311 40.800 -0.274 0.000 1.369 198 D HN 0.055 nan 8.370 nan 0.000 0.425 199 W N 1.644 122.810 121.300 -0.224 0.000 2.493 199 W HA 0.031 4.692 4.660 0.001 0.000 0.337 199 W C 0.825 177.299 176.519 -0.076 0.000 1.234 199 W CA -0.012 57.301 57.345 -0.054 0.000 1.286 199 W CB 0.231 29.715 29.460 0.040 0.000 1.188 199 W HN 0.133 nan 8.180 nan 0.000 0.564 200 D N 3.904 124.441 120.400 0.228 0.000 2.317 200 D HA -0.045 4.596 4.640 0.002 0.000 0.252 200 D C 0.831 177.214 176.300 0.139 0.000 1.174 200 D CA 0.112 54.207 54.000 0.157 0.000 0.866 200 D CB 0.805 41.723 40.800 0.196 0.000 1.127 200 D HN 0.473 nan 8.370 nan 0.000 0.467 201 D N 3.186 123.647 120.400 0.101 0.000 2.117 201 D HA -0.165 4.476 4.640 0.002 0.000 0.197 201 D C 1.596 177.905 176.300 0.015 0.000 0.987 201 D CA 1.017 55.049 54.000 0.054 0.000 0.829 201 D CB 0.449 41.274 40.800 0.042 0.000 0.961 201 D HN 0.422 nan 8.370 nan 0.000 0.460 202 K N 0.037 120.442 120.400 0.008 0.000 2.026 202 K HA -0.148 4.174 4.320 0.002 0.000 0.208 202 K C 2.154 178.698 176.600 -0.093 0.000 1.048 202 K CA 0.930 57.154 56.287 -0.104 0.000 0.929 202 K CB 0.072 32.381 32.500 -0.318 0.000 0.713 202 K HN -0.116 nan 8.250 nan 0.000 0.439 203 M N 0.540 120.134 119.600 -0.010 0.000 2.115 203 M HA -0.184 4.297 4.480 0.002 0.000 0.258 203 M C 2.092 178.382 176.300 -0.016 0.000 1.071 203 M CA 1.449 56.759 55.300 0.016 0.000 1.100 203 M CB -1.243 31.417 32.600 0.100 0.000 1.292 203 M HN 0.149 nan 8.290 nan 0.000 0.415 204 L N 0.423 121.638 121.223 -0.014 0.000 2.103 204 L HA -0.255 4.086 4.340 0.002 0.000 0.215 204 L C 2.450 179.283 176.870 -0.061 0.000 1.080 204 L CA 2.111 56.914 54.840 -0.061 0.000 0.764 204 L CB -1.046 40.978 42.059 -0.058 0.000 0.890 204 L HN 0.540 nan 8.230 nan 0.000 0.435 205 E N -0.847 119.323 120.200 -0.051 0.000 2.004 205 E HA -0.171 4.181 4.350 0.002 0.000 0.193 205 E C 2.177 178.747 176.600 -0.050 0.000 0.985 205 E CA 1.448 57.816 56.400 -0.053 0.000 0.832 205 E CB -0.389 29.277 29.700 -0.057 0.000 0.787 205 E HN 0.097 nan 8.360 nan 0.000 0.466 206 V N 1.268 121.147 119.914 -0.057 0.000 2.409 206 V HA -0.272 3.849 4.120 0.002 0.000 0.261 206 V C 2.200 178.282 176.094 -0.020 0.000 1.099 206 V CA 1.677 63.949 62.300 -0.047 0.000 1.100 206 V CB -0.302 31.481 31.823 -0.066 0.000 0.677 206 V HN 0.436 nan 8.190 nan 0.000 0.460 207 L N -0.928 120.282 121.223 -0.022 0.000 2.667 207 L HA 0.222 4.563 4.340 0.002 0.000 0.232 207 L C 0.821 177.675 176.870 -0.027 0.000 1.138 207 L CA 0.342 55.176 54.840 -0.010 0.000 0.921 207 L CB -0.236 41.812 42.059 -0.017 0.000 1.180 207 L HN 0.407 nan 8.230 nan 0.000 0.487 208 D N 2.077 122.454 120.400 -0.038 0.000 2.697 208 D HA -0.203 4.438 4.640 0.002 0.000 0.235 208 D C -0.191 176.068 176.300 -0.067 0.000 1.167 208 D CA 0.705 54.677 54.000 -0.047 0.000 0.656 208 D CB -0.379 40.400 40.800 -0.036 0.000 1.025 208 D HN 0.211 nan 8.370 nan 0.000 0.419 209 I N 0.039 120.553 120.570 -0.094 0.000 2.603 209 I HA 0.394 4.565 4.170 0.002 0.000 0.300 209 I C -2.375 173.654 176.117 -0.146 0.000 1.017 209 I CA -1.964 59.252 61.300 -0.139 0.000 1.098 209 I CB 2.000 39.872 38.000 -0.212 0.000 1.279 209 I HN -0.225 nan 8.210 nan 0.000 0.437 210 P HA 0.446 nan 4.420 nan 0.000 0.295 210 P C 0.375 177.567 177.300 -0.179 0.000 1.397 210 P CA -0.586 62.430 63.100 -0.140 0.000 0.903 210 P CB 1.216 32.849 31.700 -0.110 0.000 1.028 211 R N 1.947 122.343 120.500 -0.174 0.000 2.267 211 R HA -0.251 4.090 4.340 0.002 0.000 0.259 211 R C 1.105 177.316 176.300 -0.149 0.000 1.192 211 R CA 1.755 57.735 56.100 -0.199 0.000 1.013 211 R CB -0.022 30.213 30.300 -0.108 0.000 0.877 211 R HN 0.434 nan 8.270 nan 0.000 0.474 212 E N -0.487 119.649 120.200 -0.106 0.000 2.204 212 E HA -0.192 4.159 4.350 0.002 0.000 0.194 212 E C 1.781 178.336 176.600 -0.075 0.000 0.989 212 E CA 1.712 58.071 56.400 -0.070 0.000 0.824 212 E CB 0.021 29.681 29.700 -0.068 0.000 0.756 212 E HN 0.547 nan 8.360 nan 0.000 0.477 213 M N -0.620 118.912 119.600 -0.113 0.000 2.501 213 M HA 0.164 4.646 4.480 0.002 0.000 0.261 213 M C 0.326 176.659 176.300 0.054 0.000 1.129 213 M CA 0.329 55.576 55.300 -0.088 0.000 1.126 213 M CB -0.043 32.490 32.600 -0.111 0.000 1.359 213 M HN -0.168 nan 8.290 nan 0.000 0.471 214 L N 3.573 124.720 121.223 -0.127 0.000 2.490 214 L HA 0.189 4.530 4.340 0.002 0.000 0.274 214 L C -2.079 174.874 176.870 0.139 0.000 1.201 214 L CA -1.609 53.090 54.840 -0.235 0.000 0.869 214 L CB -0.424 41.036 42.059 -1.000 0.000 1.123 214 L HN 0.003 nan 8.230 nan 0.000 0.484 215 P HA 0.172 nan 4.420 nan 0.000 0.317 215 P C -1.051 176.388 177.300 0.231 0.000 1.307 215 P CA -0.709 62.307 63.100 -0.139 0.000 0.749 215 P CB 0.522 31.775 31.700 -0.745 0.000 1.377 216 E N -0.438 119.821 120.200 0.098 0.000 2.194 216 E HA 0.320 4.671 4.350 0.002 0.000 0.284 216 E C -0.838 175.781 176.600 0.032 0.000 1.035 216 E CA -0.822 55.657 56.400 0.132 0.000 0.836 216 E CB 0.504 30.271 29.700 0.113 0.000 1.070 216 E HN 0.116 nan 8.360 nan 0.000 0.401 217 V N 6.182 126.079 119.914 -0.029 0.000 2.406 217 V HA 0.497 4.618 4.120 0.002 0.000 0.272 217 V C -0.706 175.124 176.094 -0.441 0.000 1.043 217 V CA -0.099 62.018 62.300 -0.304 0.000 0.915 217 V CB 0.560 32.090 31.823 -0.489 0.000 0.988 217 V HN 0.766 nan 8.190 nan 0.000 0.466 218 R N 4.756 124.964 120.500 -0.486 0.000 2.740 218 R HA 0.522 4.863 4.340 0.002 0.000 0.273 218 R C -0.334 175.909 176.300 -0.096 0.000 0.998 218 R CA -1.017 54.912 56.100 -0.285 0.000 0.900 218 R CB 1.799 32.148 30.300 0.082 0.000 1.223 218 R HN 0.770 nan 8.270 nan 0.000 0.466 219 R N 0.153 120.856 120.500 0.338 0.000 2.531 219 R HA -0.125 4.216 4.340 0.002 0.000 0.273 219 R C 0.105 176.605 176.300 0.333 0.000 0.974 219 R CA 0.898 57.256 56.100 0.430 0.000 1.088 219 R CB 0.256 30.683 30.300 0.212 0.000 0.880 219 R HN 0.701 nan 8.270 nan 0.000 0.426 220 S N -0.162 115.671 115.700 0.221 0.000 2.593 220 S HA -0.014 4.457 4.470 0.002 0.000 0.217 220 S C 0.519 175.216 174.600 0.162 0.000 0.966 220 S CA 0.211 58.499 58.200 0.147 0.000 0.914 220 S CB 0.325 63.518 63.200 -0.012 0.000 0.776 220 S HN 0.593 nan 8.310 nan 0.000 0.523 221 S N 1.094 116.873 115.700 0.132 0.000 2.750 221 S HA 0.622 5.093 4.470 0.002 0.000 0.276 221 S C -1.242 173.323 174.600 -0.059 0.000 1.165 221 S CA -0.429 57.806 58.200 0.059 0.000 1.047 221 S CB 1.189 64.409 63.200 0.034 0.000 1.056 221 S HN 0.261 nan 8.310 nan 0.000 0.481 222 E N 2.162 122.202 120.200 -0.266 0.000 2.405 222 E HA 0.175 4.526 4.350 0.002 0.000 0.283 222 E C -1.707 174.457 176.600 -0.728 0.000 1.140 222 E CA -0.668 55.443 56.400 -0.482 0.000 0.904 222 E CB 1.528 30.848 29.700 -0.634 0.000 1.209 222 E HN 0.518 nan 8.360 nan 0.000 0.428 223 V N 4.217 123.875 119.914 -0.428 0.000 2.389 223 V HA 0.085 4.206 4.120 0.002 0.000 0.264 223 V C 0.303 176.184 176.094 -0.355 0.000 1.049 223 V CA 0.254 62.370 62.300 -0.306 0.000 0.932 223 V CB -0.054 31.703 31.823 -0.110 0.000 1.011 223 V HN 0.671 nan 8.190 nan 0.000 0.475 224 Y N 3.762 124.068 120.300 0.010 0.000 2.286 224 Y HA 0.367 4.919 4.550 0.002 0.000 0.293 224 Y C 1.587 177.491 175.900 0.006 0.000 1.124 224 Y CA 1.060 59.164 58.100 0.007 0.000 1.178 224 Y CB 0.016 38.477 38.460 0.002 0.000 1.010 224 Y HN 0.742 nan 8.280 nan 0.000 0.536 225 G N -1.630 107.252 108.800 0.136 0.000 2.427 225 G HA2 0.451 4.412 3.960 0.002 0.000 0.306 225 G HA3 0.451 4.412 3.960 0.002 0.000 0.306 225 G C -1.897 173.036 174.900 0.054 0.000 1.280 225 G CA -0.773 44.370 45.100 0.071 0.000 0.837 225 G HN -0.231 nan 8.290 nan 0.000 0.482 226 Q N -1.127 118.691 119.800 0.029 0.000 2.372 226 Q HA 0.847 5.188 4.340 0.002 0.000 0.273 226 Q C -0.717 175.288 176.000 0.008 0.000 1.078 226 Q CA -0.636 55.180 55.803 0.021 0.000 0.806 226 Q CB 2.077 30.823 28.738 0.013 0.000 1.332 226 Q HN 0.901 nan 8.270 nan 0.000 0.435 227 T N 1.194 115.755 114.554 0.012 0.000 2.901 227 T HA 0.511 4.862 4.350 0.002 0.000 0.293 227 T C -1.259 173.448 174.700 0.012 0.000 1.084 227 T CA -0.788 61.316 62.100 0.006 0.000 1.008 227 T CB 0.944 69.819 68.868 0.011 0.000 1.170 227 T HN 0.686 nan 8.240 nan 0.000 0.509 228 N N 2.042 120.749 118.700 0.012 0.000 2.558 228 N HA 0.483 5.224 4.740 0.002 0.000 0.242 228 N C 0.343 175.866 175.510 0.021 0.000 0.979 228 N CA -0.295 52.764 53.050 0.014 0.000 0.931 228 N CB 1.340 39.831 38.487 0.006 0.000 1.122 228 N HN 0.591 nan 8.380 nan 0.000 0.508 238 P HA 0.688 nan 4.420 nan 0.000 0.290 238 P C -0.982 176.356 177.300 0.064 0.000 1.275 238 P CA -0.201 62.924 63.100 0.041 0.000 0.841 238 P CB 1.815 33.534 31.700 0.031 0.000 1.042 239 I N 1.997 122.625 120.570 0.097 0.000 2.312 239 I HA 0.153 4.324 4.170 0.002 0.000 0.290 239 I C 1.134 177.406 176.117 0.258 0.000 1.008 239 I CA 0.214 61.604 61.300 0.150 0.000 1.226 239 I CB 1.036 39.123 38.000 0.146 0.000 1.371 239 I HN 0.346 nan 8.210 nan 0.000 0.468 240 S N 2.612 118.448 115.700 0.226 0.000 2.632 240 S HA 0.367 4.838 4.470 0.002 0.000 0.237 240 S C 0.515 175.325 174.600 0.351 0.000 1.037 240 S CA -0.333 57.982 58.200 0.191 0.000 1.009 240 S CB 0.655 63.898 63.200 0.071 0.000 0.974 240 S HN 0.638 nan 8.310 nan 0.000 0.544 241 G N 0.918 109.935 108.800 0.361 0.000 2.524 241 G HA2 0.773 4.734 3.960 0.002 0.000 0.310 241 G HA3 0.773 4.734 3.960 0.002 0.000 0.310 241 G C -1.360 173.613 174.900 0.122 0.000 1.279 241 G CA -0.809 44.459 45.100 0.279 0.000 0.974 241 G HN 0.320 nan 8.290 nan 0.000 0.484 242 I N 0.577 121.167 120.570 0.034 0.000 2.649 242 I HA 0.604 4.775 4.170 0.002 0.000 0.289 242 I C -0.468 175.590 176.117 -0.098 0.000 1.222 242 I CA -0.691 60.528 61.300 -0.135 0.000 1.046 242 I CB 2.223 40.001 38.000 -0.370 0.000 1.272 242 I HN 0.797 nan 8.210 nan 0.000 0.425 243 A N 4.003 126.764 122.820 -0.099 0.000 2.594 243 A HA 0.735 5.056 4.320 0.002 0.000 0.296 243 A C -0.391 177.138 177.584 -0.091 0.000 1.061 243 A CA -0.372 51.607 52.037 -0.096 0.000 0.689 243 A CB 1.327 20.267 19.000 -0.099 0.000 1.280 243 A HN 0.827 nan 8.150 nan 0.000 0.406 244 G N 0.899 109.639 108.800 -0.099 0.000 2.414 244 G HA2 0.330 4.292 3.960 0.002 0.000 0.236 244 G HA3 0.330 4.292 3.960 0.002 0.000 0.236 244 G C 0.609 175.448 174.900 -0.102 0.000 1.293 244 G CA 0.639 45.672 45.100 -0.111 0.000 0.869 244 G HN 1.029 nan 8.290 nan 0.000 0.556 245 D N 1.352 121.682 120.400 -0.116 0.000 2.133 245 D HA -0.238 4.404 4.640 0.002 0.000 0.192 245 D C 1.874 178.126 176.300 -0.081 0.000 1.001 245 D CA 1.517 55.462 54.000 -0.092 0.000 0.844 245 D CB -0.207 40.539 40.800 -0.089 0.000 0.944 245 D HN 0.366 nan 8.370 nan 0.000 0.447 246 Q N 0.071 119.786 119.800 -0.142 0.000 2.096 246 Q HA -0.167 4.174 4.340 0.002 0.000 0.204 246 Q C 2.343 178.338 176.000 -0.008 0.000 0.982 246 Q CA 1.604 57.358 55.803 -0.082 0.000 0.850 246 Q CB -0.478 28.173 28.738 -0.146 0.000 0.901 246 Q HN 0.545 nan 8.270 nan 0.000 0.422 247 Q N -0.020 119.767 119.800 -0.022 0.000 2.123 247 Q HA 0.029 4.370 4.340 0.002 0.000 0.199 247 Q C 1.977 178.012 176.000 0.058 0.000 0.966 247 Q CA 1.388 57.200 55.803 0.016 0.000 0.845 247 Q CB -0.272 28.454 28.738 -0.020 0.000 0.907 247 Q HN 0.420 nan 8.270 nan 0.000 0.439 248 A N 0.501 123.337 122.820 0.027 0.000 1.972 248 A HA -0.062 4.259 4.320 0.002 0.000 0.219 248 A C 2.172 179.813 177.584 0.095 0.000 1.169 248 A CA 1.553 53.628 52.037 0.064 0.000 0.635 248 A CB -0.697 18.311 19.000 0.012 0.000 0.810 248 A HN 0.375 nan 8.150 nan 0.000 0.446 249 A N -0.642 122.213 122.820 0.058 0.000 1.898 249 A HA 0.116 4.437 4.320 0.002 0.000 0.214 249 A C 2.036 179.663 177.584 0.072 0.000 1.183 249 A CA 1.411 53.478 52.037 0.051 0.000 0.622 249 A CB -0.537 18.492 19.000 0.049 0.000 0.824 249 A HN 0.599 nan 8.150 nan 0.000 0.444 250 L N -1.356 119.921 121.223 0.092 0.000 2.042 250 L HA -0.107 4.234 4.340 0.002 0.000 0.210 250 L C 2.089 179.036 176.870 0.127 0.000 1.076 250 L CA 2.003 56.901 54.840 0.097 0.000 0.749 250 L CB -0.905 41.213 42.059 0.099 0.000 0.893 250 L HN 0.415 nan 8.230 nan 0.000 0.432 251 F N 0.410 120.366 119.950 0.012 0.000 2.039 251 F HA -0.012 4.516 4.527 0.002 0.000 0.294 251 F C 2.337 178.163 175.800 0.043 0.000 1.130 251 F CA 1.849 59.868 58.000 0.031 0.000 1.189 251 F CB -1.065 37.955 39.000 0.033 0.000 0.983 251 F HN 0.126 nan 8.300 nan 0.000 0.471 252 G N -0.600 108.228 108.800 0.046 0.000 2.516 252 G HA2 -0.230 3.731 3.960 0.002 0.000 0.221 252 G HA3 -0.230 3.731 3.960 0.002 0.000 0.221 252 G C 1.423 176.282 174.900 -0.068 0.000 1.107 252 G CA 0.593 45.610 45.100 -0.138 0.000 0.747 252 G HN 0.362 nan 8.290 nan 0.000 0.567 253 Q N -0.541 119.236 119.800 -0.037 0.000 2.432 253 Q HA 0.199 4.540 4.340 0.002 0.000 0.205 253 Q C 1.268 177.237 176.000 -0.052 0.000 0.945 253 Q CA 0.112 55.903 55.803 -0.021 0.000 0.924 253 Q CB 0.134 28.877 28.738 0.009 0.000 1.016 253 Q HN 0.638 nan 8.270 nan 0.000 0.503 254 L N -0.727 120.427 121.223 -0.114 0.000 3.981 254 L HA -0.288 4.053 4.340 0.002 0.000 0.403 254 L C 1.316 178.134 176.870 -0.086 0.000 1.192 254 L CA -0.082 54.659 54.840 -0.166 0.000 0.910 254 L CB -2.979 38.984 42.059 -0.161 0.000 2.088 254 L HN 0.194 nan 8.230 nan 0.000 0.769 255 C N -2.122 117.159 119.300 -0.032 0.000 3.031 255 C HA -0.169 4.292 4.460 0.002 0.000 0.281 255 C C 2.323 177.327 174.990 0.024 0.000 1.152 255 C CA 0.873 59.906 59.018 0.024 0.000 1.803 255 C CB -0.991 26.764 27.740 0.025 0.000 1.795 255 C HN 0.674 nan 8.230 nan 0.000 0.390 256 V N 0.127 120.082 119.914 0.068 0.000 0.439 256 V HA -0.231 3.890 4.120 0.002 0.000 0.091 256 V C 0.660 176.781 176.094 0.045 0.000 2.586 256 V CA 3.293 65.633 62.300 0.066 0.000 3.733 256 V CB -1.896 29.922 31.823 -0.008 0.000 1.009 256 V HN 1.309 nan 8.190 nan 0.000 1.056 257 K N 0.028 120.444 120.400 0.026 0.000 2.318 257 K HA 0.691 5.012 4.320 0.002 0.000 0.249 257 K C -0.164 176.452 176.600 0.026 0.000 0.942 257 K CA 0.004 56.305 56.287 0.023 0.000 0.808 257 K CB 1.192 33.699 32.500 0.011 0.000 1.189 257 K HN 0.511 nan 8.250 nan 0.000 0.428 258 E N 0.120 120.336 120.200 0.028 0.000 2.760 258 E HA 0.135 4.486 4.350 0.002 0.000 0.268 258 E C 1.249 177.864 176.600 0.024 0.000 0.935 258 E CA 1.928 58.346 56.400 0.029 0.000 0.960 258 E CB 0.144 29.860 29.700 0.026 0.000 0.931 258 E HN 1.136 nan 8.360 nan 0.000 0.483 259 G N 3.123 111.937 108.800 0.025 0.000 2.196 259 G HA2 -0.336 3.625 3.960 0.002 0.000 0.268 259 G HA3 -0.336 3.625 3.960 0.002 0.000 0.268 259 G C 0.261 175.171 174.900 0.017 0.000 0.975 259 G CA 0.529 45.640 45.100 0.018 0.000 0.648 259 G HN 0.427 nan 8.290 nan 0.000 0.538 260 M N 0.738 120.351 119.600 0.022 0.000 2.180 260 M HA 0.574 5.055 4.480 0.002 0.000 0.358 260 M C 0.326 176.641 176.300 0.025 0.000 1.233 260 M CA 0.369 55.681 55.300 0.020 0.000 1.114 260 M CB 1.589 34.199 32.600 0.018 0.000 1.594 260 M HN 0.517 nan 8.290 nan 0.000 0.467 261 A N 3.517 126.350 122.820 0.020 0.000 2.449 261 A HA 0.833 5.154 4.320 0.002 0.000 0.302 261 A C -1.139 176.458 177.584 0.023 0.000 1.048 261 A CA -0.867 51.183 52.037 0.022 0.000 0.708 261 A CB 1.586 20.593 19.000 0.012 0.000 1.274 261 A HN 0.806 nan 8.150 nan 0.000 0.410 262 K N 0.739 121.156 120.400 0.028 0.000 2.443 262 K HA 0.749 5.071 4.320 0.002 0.000 0.251 262 K C -1.113 175.494 176.600 0.011 0.000 0.972 262 K CA -0.674 55.631 56.287 0.030 0.000 0.833 262 K CB 1.499 34.024 32.500 0.042 0.000 1.317 262 K HN 0.357 nan 8.250 nan 0.000 0.441 263 N N 0.148 118.847 118.700 -0.002 0.000 2.346 263 N HA 0.415 5.156 4.740 0.002 0.000 0.289 263 N C -1.586 173.857 175.510 -0.111 0.000 1.027 263 N CA -0.428 52.558 53.050 -0.107 0.000 0.864 263 N CB 2.097 40.461 38.487 -0.205 0.000 1.370 263 N HN 0.696 nan 8.380 nan 0.000 0.481 264 T N 3.365 117.839 114.554 -0.134 0.000 2.771 264 T HA 0.334 4.685 4.350 0.002 0.000 0.281 264 T C -0.718 173.890 174.700 -0.153 0.000 0.982 264 T CA -0.086 62.002 62.100 -0.018 0.000 0.978 264 T CB 0.195 69.141 68.868 0.132 0.000 0.930 264 T HN 0.251 nan 8.240 nan 0.000 0.447 265 Y N 2.294 122.632 120.300 0.062 0.000 2.717 265 Y HA 0.575 5.127 4.550 0.002 0.000 0.329 265 Y C 0.901 176.852 175.900 0.085 0.000 1.017 265 Y CA -0.505 57.621 58.100 0.044 0.000 1.275 265 Y CB 0.945 39.415 38.460 0.017 0.000 1.109 265 Y HN 0.882 nan 8.280 nan 0.000 0.511 266 G N 0.131 109.072 108.800 0.236 0.000 3.259 266 G HA2 0.106 4.067 3.960 0.002 0.000 0.178 266 G HA3 0.106 4.067 3.960 0.002 0.000 0.178 266 G C 0.792 175.836 174.900 0.240 0.000 1.129 266 G CA -0.282 44.959 45.100 0.235 0.000 0.816 266 G HN 0.262 nan 8.290 nan 0.000 0.634 267 T N 0.225 114.950 114.554 0.285 0.000 2.699 267 T HA 0.087 4.438 4.350 0.002 0.000 0.268 267 T C 1.173 176.085 174.700 0.353 0.000 1.036 267 T CA 1.916 64.205 62.100 0.314 0.000 1.147 267 T CB -0.450 68.662 68.868 0.407 0.000 0.862 267 T HN 0.743 nan 8.240 nan 0.000 0.446 268 G N -1.571 107.470 108.800 0.401 0.000 3.211 268 G HA2 0.506 4.467 3.960 0.002 0.000 0.262 268 G HA3 0.506 4.467 3.960 0.002 0.000 0.262 268 G C -1.481 173.264 174.900 -0.259 0.000 1.352 268 G CA -0.469 44.721 45.100 0.151 0.000 1.004 268 G HN 0.314 nan 8.290 nan 0.000 0.559 269 C N -0.112 118.693 119.300 -0.825 0.000 2.369 269 C HA 0.783 5.244 4.460 0.002 0.000 0.322 269 C C -1.475 172.648 174.990 -1.445 0.000 1.258 269 C CA -0.677 57.837 59.018 -0.840 0.000 1.487 269 C CB -0.568 26.854 27.740 -0.530 0.000 2.165 269 C HN 0.414 nan 8.230 nan 0.000 0.483 270 F N 4.127 124.001 119.950 -0.126 0.000 2.536 270 F HA 0.533 5.061 4.527 0.002 0.000 0.322 270 F C 0.061 175.810 175.800 -0.085 0.000 1.144 270 F CA -0.620 57.339 58.000 -0.068 0.000 0.924 270 F CB 1.218 40.198 39.000 -0.033 0.000 1.181 270 F HN 0.348 nan 8.300 nan 0.000 0.438 271 M N 5.331 124.956 119.600 0.042 0.000 2.149 271 M HA 0.689 5.170 4.480 0.002 0.000 0.342 271 M C -2.008 174.337 176.300 0.074 0.000 1.068 271 M CA -0.593 54.714 55.300 0.012 0.000 0.991 271 M CB 0.904 33.473 32.600 -0.052 0.000 1.596 271 M HN 0.611 nan 8.290 nan 0.000 0.439 272 L N 5.643 126.908 121.223 0.069 0.000 2.370 272 L HA 0.693 5.034 4.340 0.002 0.000 0.266 272 L C -0.724 176.179 176.870 0.057 0.000 1.002 272 L CA -0.322 54.564 54.840 0.078 0.000 0.818 272 L CB 2.154 44.266 42.059 0.088 0.000 1.325 272 L HN 0.802 nan 8.230 nan 0.000 0.418 273 M N 2.728 122.362 119.600 0.058 0.000 2.263 273 M HA 0.464 4.945 4.480 0.002 0.000 0.295 273 M C -1.336 174.997 176.300 0.055 0.000 1.028 273 M CA -0.505 54.824 55.300 0.047 0.000 0.921 273 M CB 1.763 34.383 32.600 0.033 0.000 1.601 273 M HN 0.657 nan 8.290 nan 0.000 0.440 274 N N 2.751 121.482 118.700 0.052 0.000 2.475 274 N HA 0.104 4.845 4.740 0.002 0.000 0.267 274 N C 0.082 175.627 175.510 0.057 0.000 1.169 274 N CA 0.600 53.685 53.050 0.059 0.000 0.947 274 N CB 1.120 39.640 38.487 0.055 0.000 1.061 274 N HN 0.802 nan 8.380 nan 0.000 0.466 275 T N 0.682 115.282 114.554 0.076 0.000 3.215 275 T HA 0.348 4.699 4.350 0.002 0.000 0.271 275 T C 1.132 175.884 174.700 0.086 0.000 1.012 275 T CA 0.113 62.258 62.100 0.074 0.000 0.899 275 T CB -0.255 68.657 68.868 0.072 0.000 1.089 275 T HN 0.636 nan 8.240 nan 0.000 0.552 276 G N 3.312 112.157 108.800 0.075 0.000 2.622 276 G HA2 -0.356 3.605 3.960 0.002 0.000 0.307 276 G HA3 -0.356 3.605 3.960 0.002 0.000 0.307 276 G C 0.459 175.418 174.900 0.099 0.000 1.226 276 G CA 0.467 45.605 45.100 0.063 0.000 0.997 276 G HN 0.642 nan 8.290 nan 0.000 0.551 277 E N 0.691 120.953 120.200 0.103 0.000 2.444 277 E HA 0.282 4.633 4.350 0.002 0.000 0.191 277 E C 0.675 177.418 176.600 0.239 0.000 1.041 277 E CA 0.239 56.737 56.400 0.163 0.000 0.883 277 E CB 0.452 30.203 29.700 0.085 0.000 1.024 277 E HN 0.462 nan 8.360 nan 0.000 0.470 278 K N 1.615 122.121 120.400 0.177 0.000 2.274 278 K HA 0.475 4.796 4.320 0.002 0.000 0.262 278 K C -1.013 175.549 176.600 -0.063 0.000 0.961 278 K CA -0.605 55.713 56.287 0.052 0.000 0.833 278 K CB 1.399 33.910 32.500 0.019 0.000 1.102 278 K HN 0.010 nan 8.250 nan 0.000 0.436 279 A N 4.360 126.954 122.820 -0.377 0.000 2.415 279 A HA 0.311 4.632 4.320 0.002 0.000 0.309 279 A C -0.486 176.944 177.584 -0.255 0.000 1.356 279 A CA -0.626 51.058 52.037 -0.589 0.000 0.998 279 A CB 0.161 18.558 19.000 -1.005 0.000 1.145 279 A HN 0.496 nan 8.150 nan 0.000 0.545 280 V N 2.777 122.610 119.914 -0.134 0.000 2.530 280 V HA 0.235 4.356 4.120 0.002 0.000 0.282 280 V C 0.783 176.838 176.094 -0.064 0.000 1.048 280 V CA -0.449 61.808 62.300 -0.070 0.000 0.997 280 V CB 1.205 33.014 31.823 -0.024 0.000 0.987 280 V HN 0.778 nan 8.190 nan 0.000 0.477 281 K N 4.238 124.609 120.400 -0.048 0.000 2.285 281 K HA 0.322 4.643 4.320 0.002 0.000 0.286 281 K C 0.082 176.677 176.600 -0.008 0.000 1.072 281 K CA -0.001 56.266 56.287 -0.033 0.000 0.913 281 K CB 0.951 33.433 32.500 -0.030 0.000 1.067 281 K HN 0.934 nan 8.250 nan 0.000 0.479 282 S N 2.929 118.632 115.700 0.005 0.000 2.545 282 S HA 0.208 4.680 4.470 0.002 0.000 0.275 282 S C 0.274 174.893 174.600 0.032 0.000 1.299 282 S CA -0.362 57.855 58.200 0.028 0.000 1.048 282 S CB 0.503 63.736 63.200 0.054 0.000 0.938 282 S HN 0.824 nan 8.310 nan 0.000 0.496 283 E N 3.440 123.661 120.200 0.035 0.000 2.624 283 E HA 0.146 4.497 4.350 0.002 0.000 0.210 283 E C -0.498 176.132 176.600 0.050 0.000 0.997 283 E CA -0.038 56.385 56.400 0.037 0.000 0.999 283 E CB 0.171 29.888 29.700 0.027 0.000 1.040 283 E HN 0.699 nan 8.360 nan 0.000 0.469 284 N N -0.102 118.635 118.700 0.060 0.000 2.451 284 N HA 0.163 4.904 4.740 0.002 0.000 0.271 284 N C 0.403 175.966 175.510 0.089 0.000 1.410 284 N CA 0.222 53.308 53.050 0.060 0.000 0.884 284 N CB 1.747 40.256 38.487 0.037 0.000 1.332 284 N HN 0.164 nan 8.380 nan 0.000 0.498 285 G N 0.440 109.334 108.800 0.157 0.000 2.136 285 G HA2 -0.261 3.700 3.960 0.002 0.000 0.242 285 G HA3 -0.261 3.700 3.960 0.002 0.000 0.242 285 G C -0.164 175.007 174.900 0.451 0.000 0.989 285 G CA 0.017 45.310 45.100 0.322 0.000 0.682 285 G HN 0.245 nan 8.290 nan 0.000 0.522 286 L N -0.163 121.220 121.223 0.267 0.000 2.358 286 L HA 0.694 5.035 4.340 0.002 0.000 0.268 286 L C 1.044 178.045 176.870 0.219 0.000 1.032 286 L CA -1.254 53.749 54.840 0.272 0.000 0.805 286 L CB 1.234 43.388 42.059 0.158 0.000 1.253 286 L HN 0.009 nan 8.230 nan 0.000 0.452 287 L N 0.373 121.743 121.223 0.246 0.000 2.357 287 L HA 0.406 4.747 4.340 0.002 0.000 0.273 287 L C -0.091 176.835 176.870 0.094 0.000 1.080 287 L CA -0.459 54.471 54.840 0.150 0.000 0.803 287 L CB 1.142 43.334 42.059 0.222 0.000 1.174 287 L HN 0.530 nan 8.230 nan 0.000 0.443 288 T N 0.837 115.408 114.554 0.028 0.000 2.743 288 T HA 0.443 4.794 4.350 0.002 0.000 0.292 288 T C 0.039 174.756 174.700 0.029 0.000 0.972 288 T CA -0.261 61.846 62.100 0.012 0.000 0.967 288 T CB 1.447 70.283 68.868 -0.054 0.000 0.926 288 T HN 0.736 nan 8.240 nan 0.000 0.459 289 T N 2.346 116.950 114.554 0.083 0.000 2.654 289 T HA 0.715 5.066 4.350 0.002 0.000 0.289 289 T C -1.226 173.554 174.700 0.134 0.000 1.062 289 T CA -0.662 61.488 62.100 0.084 0.000 1.041 289 T CB 0.827 69.728 68.868 0.056 0.000 1.417 289 T HN 0.444 nan 8.240 nan 0.000 0.510 290 I N 1.480 122.081 120.570 0.051 0.000 2.460 290 I HA 0.726 4.897 4.170 0.002 0.000 0.298 290 I C 0.247 176.339 176.117 -0.041 0.000 0.989 290 I CA -0.674 60.610 61.300 -0.027 0.000 1.173 290 I CB 1.714 39.663 38.000 -0.086 0.000 1.338 290 I HN 0.794 nan 8.210 nan 0.000 0.456 291 A N 4.334 127.112 122.820 -0.068 0.000 2.486 291 A HA 0.809 5.130 4.320 0.002 0.000 0.277 291 A C -1.346 176.195 177.584 -0.070 0.000 1.282 291 A CA -0.484 51.531 52.037 -0.037 0.000 0.784 291 A CB 1.186 20.196 19.000 0.017 0.000 1.350 291 A HN 0.715 nan 8.150 nan 0.000 0.454 292 C N -0.272 119.015 119.300 -0.022 0.000 2.391 292 C HA 0.798 5.259 4.460 0.002 0.000 0.339 292 C C 0.994 176.041 174.990 0.094 0.000 1.205 292 C CA -0.345 58.653 59.018 -0.032 0.000 1.937 292 C CB 0.639 28.261 27.740 -0.197 0.000 2.341 292 C HN 1.070 nan 8.230 nan 0.000 0.516 293 G N 1.590 110.425 108.800 0.058 0.000 2.437 293 G HA2 0.519 4.481 3.960 0.002 0.000 0.319 293 G HA3 0.519 4.481 3.960 0.002 0.000 0.319 293 G C -1.702 173.322 174.900 0.207 0.000 1.158 293 G CA -0.968 44.190 45.100 0.096 0.000 0.899 293 G HN 0.507 nan 8.290 nan 0.000 0.502 294 P HA -0.102 nan 4.420 nan 0.000 0.225 294 P C 1.168 178.617 177.300 0.247 0.000 1.141 294 P CA 1.480 64.719 63.100 0.232 0.000 0.774 294 P CB 0.070 31.826 31.700 0.093 0.000 0.760 295 T N -5.623 109.032 114.554 0.170 0.000 3.084 295 T HA 0.495 4.846 4.350 0.002 0.000 0.270 295 T C 1.203 175.944 174.700 0.068 0.000 1.008 295 T CA 0.135 62.310 62.100 0.126 0.000 0.900 295 T CB 0.102 69.013 68.868 0.072 0.000 1.084 295 T HN 0.203 nan 8.240 nan 0.000 0.538 296 G N 2.741 111.554 108.800 0.023 0.000 2.142 296 G HA2 -0.200 3.761 3.960 0.002 0.000 0.225 296 G HA3 -0.200 3.761 3.960 0.002 0.000 0.225 296 G C -0.174 174.673 174.900 -0.088 0.000 1.015 296 G CA 0.026 45.039 45.100 -0.145 0.000 0.716 296 G HN 0.821 nan 8.290 nan 0.000 0.508 297 E N 0.257 120.423 120.200 -0.056 0.000 2.239 297 E HA 0.591 4.942 4.350 0.002 0.000 0.261 297 E C 0.339 176.850 176.600 -0.148 0.000 1.016 297 E CA -0.877 55.464 56.400 -0.098 0.000 0.882 297 E CB 1.592 31.243 29.700 -0.082 0.000 1.190 297 E HN 0.352 nan 8.360 nan 0.000 0.415 298 V N 2.728 122.498 119.914 -0.240 0.000 2.539 298 V HA -0.036 4.085 4.120 0.002 0.000 0.300 298 V C -0.064 175.843 176.094 -0.312 0.000 1.019 298 V CA 0.557 62.656 62.300 -0.334 0.000 1.160 298 V CB -0.868 30.659 31.823 -0.493 0.000 0.901 298 V HN 0.556 nan 8.190 nan 0.000 0.481 299 N N 2.901 121.414 118.700 -0.312 0.000 2.405 299 N HA 0.606 5.347 4.740 0.002 0.000 0.285 299 N C -1.016 174.274 175.510 -0.367 0.000 1.262 299 N CA -0.630 52.265 53.050 -0.259 0.000 0.773 299 N CB 1.501 39.941 38.487 -0.079 0.000 1.490 299 N HN 0.435 nan 8.380 nan 0.000 0.486 300 Y N 0.159 120.441 120.300 -0.029 0.000 2.565 300 Y HA 0.837 5.388 4.550 0.002 0.000 0.325 300 Y C 0.354 176.248 175.900 -0.010 0.000 1.221 300 Y CA -0.511 57.569 58.100 -0.033 0.000 1.316 300 Y CB 1.163 39.595 38.460 -0.048 0.000 1.404 300 Y HN 0.590 nan 8.280 nan 0.000 0.527 301 A N 0.107 123.049 122.820 0.203 0.000 2.567 301 A HA 0.625 4.947 4.320 0.002 0.000 0.291 301 A C -2.274 175.369 177.584 0.099 0.000 1.048 301 A CA -0.804 51.303 52.037 0.117 0.000 0.661 301 A CB 0.742 19.797 19.000 0.091 0.000 1.288 301 A HN 0.598 nan 8.150 nan 0.000 0.424 302 L N 1.302 122.574 121.223 0.082 0.000 2.296 302 L HA 0.632 4.973 4.340 0.002 0.000 0.286 302 L C 0.118 177.051 176.870 0.104 0.000 1.023 302 L CA -0.247 54.642 54.840 0.082 0.000 0.812 302 L CB 1.665 43.761 42.059 0.063 0.000 1.223 302 L HN 0.890 nan 8.230 nan 0.000 0.421 303 E N 2.543 122.828 120.200 0.141 0.000 2.222 303 E HA 0.624 4.975 4.350 0.002 0.000 0.267 303 E C -0.891 175.850 176.600 0.236 0.000 0.884 303 E CA -0.769 55.743 56.400 0.187 0.000 0.764 303 E CB 2.202 32.035 29.700 0.221 0.000 1.169 303 E HN 0.648 nan 8.360 nan 0.000 0.413 304 G N 2.136 111.053 108.800 0.194 0.000 2.574 304 G HA2 0.629 4.590 3.960 0.002 0.000 0.306 304 G HA3 0.629 4.590 3.960 0.002 0.000 0.306 304 G C -1.097 173.880 174.900 0.129 0.000 1.334 304 G CA -0.396 44.792 45.100 0.145 0.000 0.954 304 G HN 0.542 nan 8.290 nan 0.000 0.500 305 A N 1.950 124.868 122.820 0.163 0.000 2.330 305 A HA 0.806 5.127 4.320 0.002 0.000 0.327 305 A C -0.833 176.552 177.584 -0.331 0.000 1.155 305 A CA -0.637 51.463 52.037 0.105 0.000 0.803 305 A CB 2.026 21.354 19.000 0.546 0.000 1.208 305 A HN 0.915 nan 8.150 nan 0.000 0.477 306 V N 3.576 123.221 119.914 -0.448 0.000 2.482 306 V HA 0.267 4.388 4.120 0.002 0.000 0.295 306 V C 0.035 176.027 176.094 -0.170 0.000 1.026 306 V CA -0.294 61.749 62.300 -0.428 0.000 0.856 306 V CB 1.015 32.636 31.823 -0.337 0.000 1.001 306 V HN 0.886 nan 8.190 nan 0.000 0.424 307 F N 2.910 122.838 119.950 -0.038 0.000 2.186 307 F HA 0.154 4.682 4.527 0.002 0.000 0.299 307 F C 1.118 177.030 175.800 0.186 0.000 1.090 307 F CA 0.822 58.935 58.000 0.188 0.000 1.307 307 F CB -0.147 38.933 39.000 0.133 0.000 1.019 307 F HN 0.253 nan 8.300 nan 0.000 0.489 308 M N -0.647 119.129 119.600 0.292 0.000 2.181 308 M HA 0.575 5.056 4.480 0.002 0.000 0.323 308 M C 0.215 176.609 176.300 0.156 0.000 1.004 308 M CA -0.278 55.158 55.300 0.226 0.000 0.941 308 M CB 1.496 34.253 32.600 0.262 0.000 1.579 308 M HN 0.097 nan 8.290 nan 0.000 0.427 309 A N 2.747 125.652 122.820 0.141 0.000 2.144 309 A HA 0.648 4.969 4.320 0.002 0.000 0.191 309 A C 1.427 179.096 177.584 0.142 0.000 1.705 309 A CA 0.584 52.700 52.037 0.133 0.000 1.653 309 A CB -0.961 18.105 19.000 0.111 0.000 1.624 309 A HN 0.777 nan 8.150 nan 0.000 0.691 310 G N 0.163 109.055 108.800 0.154 0.000 2.462 310 G HA2 0.056 4.017 3.960 0.002 0.000 0.220 310 G HA3 0.056 4.017 3.960 0.002 0.000 0.220 310 G C 1.515 176.478 174.900 0.105 0.000 1.121 310 G CA 1.844 47.025 45.100 0.136 0.000 0.758 310 G HN 1.109 nan 8.290 nan 0.000 0.559 311 A N 0.837 123.716 122.820 0.099 0.000 1.972 311 A HA 0.010 4.331 4.320 0.002 0.000 0.219 311 A C 2.688 180.259 177.584 -0.021 0.000 1.169 311 A CA 2.131 54.191 52.037 0.038 0.000 0.635 311 A CB -0.543 18.475 19.000 0.031 0.000 0.810 311 A HN 0.310 nan 8.150 nan 0.000 0.446 312 S N 0.022 115.717 115.700 -0.009 0.000 2.383 312 S HA -0.152 4.319 4.470 0.002 0.000 0.229 312 S C 1.708 176.401 174.600 0.155 0.000 1.030 312 S CA 1.523 59.742 58.200 0.032 0.000 1.002 312 S CB -0.359 62.926 63.200 0.142 0.000 0.829 312 S HN 0.483 nan 8.310 nan 0.000 0.467 313 I N 1.702 122.341 120.570 0.116 0.000 2.315 313 I HA -0.083 4.088 4.170 0.002 0.000 0.248 313 I C 2.447 178.608 176.117 0.073 0.000 1.117 313 I CA 1.050 62.411 61.300 0.102 0.000 1.404 313 I CB -1.397 36.658 38.000 0.093 0.000 1.071 313 I HN 0.337 nan 8.210 nan 0.000 0.419 314 Q N -0.997 118.844 119.800 0.067 0.000 2.167 314 Q HA -0.246 4.095 4.340 0.002 0.000 0.202 314 Q C 2.205 178.233 176.000 0.047 0.000 0.970 314 Q CA 1.445 57.273 55.803 0.042 0.000 0.855 314 Q CB -0.197 28.561 28.738 0.033 0.000 0.911 314 Q HN 0.592 nan 8.270 nan 0.000 0.438 315 W N 1.042 122.256 121.300 -0.144 0.000 2.333 315 W HA -0.235 4.427 4.660 0.002 0.000 0.316 315 W C 1.453 177.912 176.519 -0.100 0.000 1.215 315 W CA 1.503 58.741 57.345 -0.178 0.000 1.278 315 W CB -0.401 28.845 29.460 -0.357 0.000 1.154 315 W HN 0.062 nan 8.180 nan 0.000 0.486 316 L N 0.325 121.448 121.223 -0.166 0.000 2.042 316 L HA -0.223 4.118 4.340 0.002 0.000 0.210 316 L C 2.794 179.502 176.870 -0.270 0.000 1.076 316 L CA 2.001 56.636 54.840 -0.341 0.000 0.749 316 L CB -1.046 40.944 42.059 -0.115 0.000 0.893 316 L HN 0.074 nan 8.230 nan 0.000 0.432 317 R N -0.200 120.217 120.500 -0.139 0.000 2.093 317 R HA -0.125 4.216 4.340 0.002 0.000 0.224 317 R C 1.574 177.800 176.300 -0.124 0.000 1.101 317 R CA 1.596 57.632 56.100 -0.107 0.000 0.979 317 R CB 0.098 30.376 30.300 -0.037 0.000 0.877 317 R HN 0.300 nan 8.270 nan 0.000 0.441 318 D N -0.287 120.041 120.400 -0.120 0.000 2.338 318 D HA -0.041 4.600 4.640 0.002 0.000 0.224 318 D C 1.691 177.913 176.300 -0.130 0.000 0.967 318 D CA 0.744 54.688 54.000 -0.093 0.000 0.896 318 D CB 0.206 40.985 40.800 -0.035 0.000 1.028 318 D HN 0.177 nan 8.370 nan 0.000 0.493 319 E N 0.072 120.145 120.200 -0.211 0.000 2.127 319 E HA 0.071 4.422 4.350 0.002 0.000 0.191 319 E C 2.057 178.432 176.600 -0.374 0.000 0.964 319 E CA 0.466 56.728 56.400 -0.230 0.000 0.832 319 E CB -0.008 29.602 29.700 -0.150 0.000 0.790 319 E HN 0.217 nan 8.360 nan 0.000 0.465 320 M N 0.062 119.267 119.600 -0.658 0.000 2.334 320 M HA 0.067 4.548 4.480 0.002 0.000 0.266 320 M C 0.789 176.874 176.300 -0.358 0.000 1.082 320 M CA 0.619 55.563 55.300 -0.594 0.000 1.141 320 M CB -0.397 31.673 32.600 -0.884 0.000 1.380 320 M HN -0.013 nan 8.290 nan 0.000 0.440 321 K N -0.455 119.751 120.400 -0.323 0.000 3.391 321 K HA -0.160 4.162 4.320 0.002 0.000 0.307 321 K C 0.770 177.244 176.600 -0.210 0.000 1.304 321 K CA 0.107 56.265 56.287 -0.215 0.000 0.904 321 K CB -1.760 30.644 32.500 -0.160 0.000 1.293 321 K HN 0.283 nan 8.250 nan 0.000 0.470 322 L N 0.340 121.409 121.223 -0.256 0.000 2.265 322 L HA -0.009 4.332 4.340 0.002 0.000 0.215 322 L C 1.206 177.905 176.870 -0.284 0.000 1.117 322 L CA 1.130 55.812 54.840 -0.264 0.000 0.782 322 L CB -0.470 41.427 42.059 -0.270 0.000 0.914 322 L HN 0.308 nan 8.230 nan 0.000 0.441 323 I N -6.239 114.211 120.570 -0.200 0.000 2.865 323 I HA 0.394 4.565 4.170 0.002 0.000 0.302 323 I C 0.200 176.287 176.117 -0.051 0.000 1.140 323 I CA -0.871 60.358 61.300 -0.119 0.000 1.021 323 I CB 1.521 39.494 38.000 -0.045 0.000 1.233 323 I HN -0.262 nan 8.210 nan 0.000 0.427 324 N N 1.552 120.255 118.700 0.006 0.000 2.220 324 N HA 0.035 4.777 4.740 0.002 0.000 0.182 324 N C -0.352 175.176 175.510 0.031 0.000 1.023 324 N CA 1.022 54.080 53.050 0.013 0.000 0.856 324 N CB -0.094 38.408 38.487 0.025 0.000 0.997 324 N HN 0.661 nan 8.380 nan 0.000 0.429 325 D N -1.274 119.167 120.400 0.069 0.000 2.419 325 D HA 0.423 5.064 4.640 0.002 0.000 0.234 325 D C 0.405 176.771 176.300 0.111 0.000 1.014 325 D CA -0.589 53.468 54.000 0.095 0.000 0.919 325 D CB 1.855 42.748 40.800 0.154 0.000 1.366 325 D HN -0.012 nan 8.370 nan 0.000 0.490 326 A N 0.835 123.725 122.820 0.118 0.000 2.067 326 A HA -0.207 4.114 4.320 0.002 0.000 0.219 326 A C 1.717 179.404 177.584 0.172 0.000 1.158 326 A CA 1.041 53.151 52.037 0.122 0.000 0.661 326 A CB -0.657 18.407 19.000 0.108 0.000 0.801 326 A HN 0.625 nan 8.150 nan 0.000 0.452 327 Y N 1.474 121.802 120.300 0.046 0.000 2.242 327 Y HA -0.158 4.393 4.550 0.002 0.000 0.291 327 Y C 1.326 177.257 175.900 0.053 0.000 1.137 327 Y CA 1.538 59.662 58.100 0.040 0.000 1.181 327 Y CB -0.348 38.123 38.460 0.019 0.000 0.989 327 Y HN 0.341 nan 8.280 nan 0.000 0.527 328 D N -0.341 120.018 120.400 -0.068 0.000 2.354 328 D HA -0.159 4.482 4.640 0.002 0.000 0.216 328 D C 2.349 178.689 176.300 0.067 0.000 0.970 328 D CA 1.298 55.236 54.000 -0.103 0.000 0.905 328 D CB -0.351 40.561 40.800 0.187 0.000 0.903 328 D HN 0.566 nan 8.370 nan 0.000 0.508 329 S N -0.149 115.597 115.700 0.077 0.000 2.423 329 S HA -0.156 4.316 4.470 0.002 0.000 0.231 329 S C 1.877 176.481 174.600 0.007 0.000 1.014 329 S CA 0.749 59.014 58.200 0.108 0.000 0.965 329 S CB -0.123 63.126 63.200 0.082 0.000 0.785 329 S HN 0.237 nan 8.310 nan 0.000 0.495 330 E N 0.249 120.414 120.200 -0.057 0.000 2.051 330 E HA -0.175 4.176 4.350 0.002 0.000 0.192 330 E C 1.866 178.380 176.600 -0.144 0.000 0.991 330 E CA 1.391 57.747 56.400 -0.073 0.000 0.799 330 E CB -0.328 29.349 29.700 -0.039 0.000 0.748 330 E HN 0.740 nan 8.360 nan 0.000 0.449 331 Y N -0.120 119.952 120.300 -0.380 0.000 2.145 331 Y HA -0.266 4.285 4.550 0.002 0.000 0.286 331 Y C 1.781 177.375 175.900 -0.509 0.000 1.145 331 Y CA 1.874 59.677 58.100 -0.496 0.000 1.148 331 Y CB -0.334 37.713 38.460 -0.689 0.000 0.981 331 Y HN 0.035 nan 8.280 nan 0.000 0.507 332 F N 0.160 120.029 119.950 -0.134 0.000 2.134 332 F HA -0.136 4.392 4.527 0.002 0.000 0.299 332 F C 2.662 178.252 175.800 -0.349 0.000 1.097 332 F CA 1.281 59.124 58.000 -0.262 0.000 1.264 332 F CB -1.375 37.549 39.000 -0.127 0.000 1.001 332 F HN 0.151 nan 8.300 nan 0.000 0.479 333 A N -0.208 122.507 122.820 -0.174 0.000 1.986 333 A HA -0.229 4.092 4.320 0.002 0.000 0.220 333 A C 2.128 179.375 177.584 -0.562 0.000 1.171 333 A CA 2.347 54.135 52.037 -0.415 0.000 0.640 333 A CB -1.432 17.215 19.000 -0.588 0.000 0.811 333 A HN 0.442 nan 8.150 nan 0.000 0.451 334 T N -3.684 110.565 114.554 -0.508 0.000 3.086 334 T HA 0.204 4.555 4.350 0.002 0.000 0.250 334 T C 1.230 175.725 174.700 -0.342 0.000 1.074 334 T CA 0.548 62.396 62.100 -0.420 0.000 0.988 334 T CB -0.044 68.643 68.868 -0.303 0.000 0.988 334 T HN 0.427 nan 8.240 nan 0.000 0.530 335 K N 1.298 121.458 120.400 -0.399 0.000 2.551 335 K HA 0.145 4.466 4.320 0.002 0.000 0.192 335 K C 1.626 178.079 176.600 -0.246 0.000 1.027 335 K CA 0.600 56.679 56.287 -0.345 0.000 1.059 335 K CB 0.135 32.429 32.500 -0.343 0.000 0.831 335 K HN 0.498 nan 8.250 nan 0.000 0.508 336 V N -4.339 115.428 119.914 -0.245 0.000 3.485 336 V HA 0.123 4.244 4.120 0.002 0.000 0.280 336 V C 0.636 176.676 176.094 -0.089 0.000 1.495 336 V CA -0.025 62.156 62.300 -0.199 0.000 1.018 336 V CB 0.466 32.084 31.823 -0.342 0.000 0.818 336 V HN 0.219 nan 8.190 nan 0.000 0.436 337 Q N 1.331 121.095 119.800 -0.060 0.000 2.816 337 Q HA -0.255 4.087 4.340 0.002 0.000 0.176 337 Q C 0.366 176.414 176.000 0.079 0.000 2.348 337 Q CA 2.390 58.211 55.803 0.031 0.000 0.831 337 Q CB -1.146 27.615 28.738 0.039 0.000 0.775 337 Q HN 1.031 nan 8.270 nan 0.000 0.809 338 N N -2.277 116.470 118.700 0.079 0.000 3.046 338 N HA 0.223 4.964 4.740 0.002 0.000 0.243 338 N C -0.133 175.480 175.510 0.172 0.000 1.452 338 N CA 0.023 53.148 53.050 0.125 0.000 0.882 338 N CB 0.363 38.926 38.487 0.126 0.000 1.425 338 N HN 0.061 nan 8.380 nan 0.000 0.517 339 T N -3.124 111.513 114.554 0.140 0.000 3.188 339 T HA 0.155 4.506 4.350 0.002 0.000 0.250 339 T C 0.436 175.194 174.700 0.096 0.000 1.077 339 T CA 0.214 62.426 62.100 0.186 0.000 0.967 339 T CB -0.819 68.075 68.868 0.043 0.000 1.006 339 T HN 0.707 nan 8.240 nan 0.000 0.552 340 N N 0.604 119.325 118.700 0.035 0.000 2.741 340 N HA -0.199 4.542 4.740 0.002 0.000 0.251 340 N C 1.127 176.549 175.510 -0.146 0.000 1.112 340 N CA 1.591 54.545 53.050 -0.160 0.000 0.750 340 N CB -1.412 36.681 38.487 -0.657 0.000 1.119 340 N HN 1.003 nan 8.380 nan 0.000 0.561 341 G N -3.402 105.324 108.800 -0.122 0.000 2.232 341 G HA2 -0.267 3.694 3.960 0.002 0.000 0.226 341 G HA3 -0.267 3.694 3.960 0.002 0.000 0.226 341 G C 0.088 174.855 174.900 -0.222 0.000 0.996 341 G CA 0.066 45.072 45.100 -0.158 0.000 0.626 341 G HN 0.634 nan 8.290 nan 0.000 0.509 342 V N 1.107 120.921 119.914 -0.167 0.000 2.715 342 V HA 0.554 4.675 4.120 0.002 0.000 0.299 342 V C 0.096 176.098 176.094 -0.154 0.000 1.054 342 V CA 0.041 62.298 62.300 -0.071 0.000 1.077 342 V CB 0.949 32.779 31.823 0.012 0.000 0.972 342 V HN 0.252 nan 8.190 nan 0.000 0.484 343 Y N 1.986 122.385 120.300 0.165 0.000 2.462 343 Y HA 0.600 5.151 4.550 0.002 0.000 0.346 343 Y C -0.140 175.907 175.900 0.245 0.000 0.976 343 Y CA -0.899 57.329 58.100 0.213 0.000 1.044 343 Y CB 2.276 40.822 38.460 0.143 0.000 1.230 343 Y HN 0.290 nan 8.280 nan 0.000 0.455 344 V N 4.340 124.531 119.914 0.460 0.000 2.350 344 V HA 0.334 4.455 4.120 0.002 0.000 0.285 344 V C -0.731 175.552 176.094 0.315 0.000 1.014 344 V CA -0.925 61.553 62.300 0.298 0.000 0.831 344 V CB 1.379 33.367 31.823 0.276 0.000 1.000 344 V HN 0.526 nan 8.190 nan 0.000 0.433 345 V N 8.385 128.370 119.914 0.119 0.000 2.339 345 V HA 0.282 4.403 4.120 0.002 0.000 0.261 345 V C -1.799 174.239 176.094 -0.093 0.000 1.058 345 V CA -1.318 60.981 62.300 -0.001 0.000 0.897 345 V CB 1.306 33.019 31.823 -0.183 0.000 1.052 345 V HN 0.766 nan 8.190 nan 0.000 0.480 346 P HA 0.294 nan 4.420 nan 0.000 0.209 346 P C 0.194 177.524 177.300 0.049 0.000 1.843 346 P CA -0.202 62.929 63.100 0.051 0.000 0.985 346 P CB 0.647 32.632 31.700 0.474 0.000 1.904 347 A N 0.384 123.072 122.820 -0.220 0.000 2.929 347 A HA 0.235 4.556 4.320 0.002 0.000 0.279 347 A C 0.939 178.419 177.584 -0.173 0.000 1.418 347 A CA -0.488 51.477 52.037 -0.119 0.000 1.035 347 A CB -1.477 17.429 19.000 -0.157 0.000 1.047 347 A HN 0.137 nan 8.150 nan 0.000 0.609 348 F N 0.449 120.325 119.950 -0.122 0.000 2.236 348 F HA -0.142 4.386 4.527 0.003 0.000 0.302 348 F C 2.163 177.899 175.800 -0.107 0.000 1.073 348 F CA 2.007 59.899 58.000 -0.181 0.000 1.336 348 F CB -0.008 38.840 39.000 -0.253 0.000 1.040 348 F HN 0.440 nan 8.300 nan 0.000 0.507 349 T N -2.153 112.490 114.554 0.148 0.000 3.584 349 T HA 0.615 4.966 4.350 0.002 0.000 0.259 349 T C 0.373 175.172 174.700 0.165 0.000 1.009 349 T CA -0.106 62.041 62.100 0.080 0.000 1.103 349 T CB -0.092 68.743 68.868 -0.055 0.000 1.099 349 T HN 0.550 nan 8.240 nan 0.000 0.539 350 G N 1.563 110.446 108.800 0.138 0.000 2.741 350 G HA2 -0.089 3.872 3.960 0.002 0.000 0.222 350 G HA3 -0.089 3.872 3.960 0.002 0.000 0.222 350 G C -0.923 174.061 174.900 0.140 0.000 1.364 350 G CA -0.609 44.575 45.100 0.141 0.000 0.866 350 G HN 0.747 nan 8.290 nan 0.000 0.555 351 L N 1.180 122.412 121.223 0.014 0.000 2.322 351 L HA 0.672 5.013 4.340 0.002 0.000 0.281 351 L C 1.455 178.014 176.870 -0.519 0.000 1.014 351 L CA -0.218 54.509 54.840 -0.188 0.000 0.815 351 L CB 1.489 43.460 42.059 -0.147 0.000 1.247 351 L HN 1.040 nan 8.230 nan 0.000 0.421 352 G N 1.445 109.533 108.800 -1.186 0.000 3.137 352 G HA2 0.545 4.506 3.960 0.002 0.000 0.163 352 G HA3 0.545 4.506 3.960 0.002 0.000 0.163 352 G C -0.125 173.732 174.900 -1.738 0.000 1.602 352 G CA 0.002 43.991 45.100 -1.851 0.000 1.067 352 G HN 0.701 nan 8.290 nan 0.000 0.568 353 A N 0.284 122.045 122.820 -1.764 0.000 2.407 353 A HA 0.549 4.870 4.320 0.002 0.000 0.248 353 A C -1.608 175.515 177.584 -0.768 0.000 1.082 353 A CA -0.832 50.455 52.037 -1.249 0.000 0.785 353 A CB 0.553 19.305 19.000 -0.413 0.000 1.020 353 A HN 0.346 nan 8.150 nan 0.000 0.489 354 P HA 0.149 nan 4.420 nan 0.000 0.263 354 P C -0.159 176.835 177.300 -0.510 0.000 1.448 354 P CA 0.405 63.195 63.100 -0.516 0.000 0.983 354 P CB -0.056 31.434 31.700 -0.350 0.000 1.481 355 Y N -1.211 118.804 120.300 -0.476 0.000 2.177 355 Y HA 0.080 4.631 4.550 0.001 0.000 0.291 355 Y C 0.639 176.461 175.900 -0.130 0.000 1.117 355 Y CA 0.272 58.222 58.100 -0.250 0.000 1.114 355 Y CB -1.092 37.233 38.460 -0.224 0.000 1.017 355 Y HN -0.129 nan 8.280 nan 0.000 0.505 356 W N 1.747 123.112 121.300 0.108 0.000 5.238 356 W HA -0.158 4.503 4.660 0.001 0.000 0.433 356 W C -0.795 175.777 176.519 0.088 0.000 1.744 356 W CA 0.376 57.770 57.345 0.082 0.000 0.878 356 W CB -1.109 28.418 29.460 0.112 0.000 2.931 356 W HN 0.138 nan 8.180 nan 0.000 1.147 357 D N 1.468 121.972 120.400 0.174 0.000 2.386 357 D HA 0.294 4.935 4.640 0.002 0.000 0.247 357 D C -1.475 174.834 176.300 0.015 0.000 1.336 357 D CA -2.162 51.905 54.000 0.112 0.000 0.976 357 D CB 1.595 42.461 40.800 0.111 0.000 1.257 357 D HN -0.095 nan 8.370 nan 0.000 0.570 358 P HA 0.043 nan 4.420 nan 0.000 0.249 358 P C 0.327 177.391 177.300 -0.393 0.000 1.229 358 P CA 0.180 63.125 63.100 -0.259 0.000 0.788 358 P CB 0.042 31.520 31.700 -0.370 0.000 1.072 359 Y N 0.164 120.514 120.300 0.083 0.000 2.497 359 Y HA 0.389 4.941 4.550 0.002 0.000 0.265 359 Y C 1.706 177.677 175.900 0.119 0.000 1.111 359 Y CA -0.730 57.423 58.100 0.089 0.000 1.288 359 Y CB -0.910 37.599 38.460 0.082 0.000 1.082 359 Y HN -0.108 nan 8.280 nan 0.000 0.536 360 A N 1.701 124.632 122.820 0.185 0.000 2.483 360 A HA 0.433 4.754 4.320 0.002 0.000 0.238 360 A C 0.453 178.068 177.584 0.052 0.000 1.070 360 A CA -0.090 52.007 52.037 0.101 0.000 0.770 360 A CB 0.266 19.253 19.000 -0.023 0.000 1.008 360 A HN 0.237 nan 8.150 nan 0.000 0.497 361 R N 0.588 121.062 120.500 -0.043 0.000 2.867 361 R HA 0.498 4.839 4.340 0.002 0.000 0.268 361 R C 0.282 176.323 176.300 -0.431 0.000 1.014 361 R CA -0.309 55.674 56.100 -0.195 0.000 0.946 361 R CB 1.729 31.957 30.300 -0.120 0.000 1.208 361 R HN 0.912 nan 8.270 nan 0.000 0.477 362 G N 0.115 108.542 108.800 -0.622 0.000 2.432 362 G HA2 0.409 4.370 3.960 0.002 0.000 0.239 362 G HA3 0.409 4.370 3.960 0.002 0.000 0.239 362 G C -0.711 173.753 174.900 -0.727 0.000 1.291 362 G CA 0.021 44.605 45.100 -0.860 0.000 0.863 362 G HN 0.583 nan 8.290 nan 0.000 0.560 363 A N 1.686 124.125 122.820 -0.635 0.000 2.515 363 A HA 0.733 5.054 4.320 0.002 0.000 0.298 363 A C -0.508 176.692 177.584 -0.639 0.000 1.059 363 A CA -0.683 50.920 52.037 -0.724 0.000 0.698 363 A CB 1.304 19.794 19.000 -0.849 0.000 1.289 363 A HN 0.668 nan 8.150 nan 0.000 0.404 364 I N 0.832 121.004 120.570 -0.664 0.000 2.562 364 I HA 0.694 4.865 4.170 0.002 0.000 0.301 364 I C -1.037 174.745 176.117 -0.559 0.000 1.003 364 I CA -0.442 60.627 61.300 -0.385 0.000 1.127 364 I CB 1.670 39.576 38.000 -0.157 0.000 1.304 364 I HN 0.620 nan 8.210 nan 0.000 0.446 365 F N 0.533 120.481 119.950 -0.003 0.000 2.662 365 F HA 0.572 5.100 4.527 0.002 0.000 0.312 365 F C 0.775 176.588 175.800 0.022 0.000 1.113 365 F CA -0.676 57.322 58.000 -0.003 0.000 0.951 365 F CB 1.808 40.806 39.000 -0.002 0.000 1.344 365 F HN 0.624 nan 8.300 nan 0.000 0.462 366 G N 1.567 110.516 108.800 0.248 0.000 2.198 366 G HA2 -0.255 3.706 3.960 0.002 0.000 0.257 366 G HA3 -0.255 3.706 3.960 0.002 0.000 0.257 366 G C -0.641 174.281 174.900 0.038 0.000 1.042 366 G CA -0.372 44.796 45.100 0.112 0.000 0.791 366 G HN 0.512 nan 8.290 nan 0.000 0.502 367 L N 0.853 122.094 121.223 0.030 0.000 2.371 367 L HA 0.689 5.030 4.340 0.002 0.000 0.272 367 L C 1.168 178.027 176.870 -0.017 0.000 1.124 367 L CA 0.290 55.125 54.840 -0.008 0.000 0.816 367 L CB 1.331 43.383 42.059 -0.013 0.000 1.129 367 L HN 0.501 nan 8.230 nan 0.000 0.448 368 T N -1.581 112.950 114.554 -0.038 0.000 2.804 368 T HA 0.372 4.724 4.350 0.002 0.000 0.290 368 T C 0.740 175.416 174.700 -0.039 0.000 1.099 368 T CA -1.020 61.059 62.100 -0.035 0.000 1.011 368 T CB 1.383 70.227 68.868 -0.041 0.000 1.291 368 T HN 0.614 nan 8.240 nan 0.000 0.523 369 R N 0.000 120.482 120.500 -0.031 0.000 2.235 369 R HA 0.162 4.503 4.340 0.002 0.000 0.213 369 R C 1.864 178.149 176.300 -0.025 0.000 1.059 369 R CA 1.022 57.108 56.100 -0.024 0.000 0.997 369 R CB -0.601 29.689 30.300 -0.016 0.000 0.884 369 R HN 0.721 nan 8.270 nan 0.000 0.462 370 G N 1.214 109.989 108.800 -0.041 0.000 3.088 370 G HA2 0.117 4.078 3.960 0.002 0.000 0.217 370 G HA3 0.117 4.078 3.960 0.002 0.000 0.217 370 G C 0.345 175.212 174.900 -0.055 0.000 1.159 370 G CA -0.353 44.726 45.100 -0.036 0.000 0.760 370 G HN 0.017 nan 8.290 nan 0.000 0.550 371 V N 2.411 122.263 119.914 -0.103 0.000 2.585 371 V HA 0.217 4.338 4.120 0.002 0.000 0.296 371 V C 0.249 176.401 176.094 0.096 0.000 1.035 371 V CA -0.177 62.049 62.300 -0.124 0.000 1.084 371 V CB 0.513 32.271 31.823 -0.109 0.000 0.953 371 V HN 0.662 nan 8.190 nan 0.000 0.483 372 N N 4.455 123.367 118.700 0.354 0.000 3.201 372 N HA 0.601 5.342 4.740 0.002 0.000 0.344 372 N C 0.710 176.272 175.510 0.087 0.000 1.465 372 N CA -0.195 52.951 53.050 0.161 0.000 0.731 372 N CB 1.016 39.563 38.487 0.100 0.000 1.677 372 N HN 0.381 nan 8.380 nan 0.000 0.631 373 A N -0.301 122.505 122.820 -0.023 0.000 1.933 373 A HA -0.162 4.159 4.320 0.002 0.000 0.218 373 A C 1.530 179.044 177.584 -0.117 0.000 1.175 373 A CA 1.488 53.473 52.037 -0.086 0.000 0.628 373 A CB -1.061 17.846 19.000 -0.155 0.000 0.814 373 A HN 0.678 nan 8.150 nan 0.000 0.444 374 N N -0.379 118.223 118.700 -0.163 0.000 2.166 374 N HA -0.140 4.601 4.740 0.002 0.000 0.186 374 N C 1.450 176.811 175.510 -0.247 0.000 1.019 374 N CA 1.684 54.610 53.050 -0.208 0.000 0.856 374 N CB -0.693 37.650 38.487 -0.241 0.000 0.993 374 N HN 0.760 nan 8.380 nan 0.000 0.426 375 H N 0.562 119.601 119.070 -0.052 0.000 2.319 375 H HA 0.041 4.598 4.556 0.002 0.000 0.299 375 H C 2.081 177.394 175.328 -0.024 0.000 1.092 375 H CA 1.238 57.261 56.048 -0.042 0.000 1.302 375 H CB -0.066 29.677 29.762 -0.032 0.000 1.373 375 H HN 0.117 nan 8.280 nan 0.000 0.497 376 I N 0.126 120.753 120.570 0.095 0.000 2.142 376 I HA -0.257 3.914 4.170 0.002 0.000 0.240 376 I C 2.097 178.254 176.117 0.067 0.000 1.078 376 I CA 1.193 62.543 61.300 0.083 0.000 1.343 376 I CB -0.207 37.835 38.000 0.069 0.000 1.046 376 I HN 0.230 nan 8.210 nan 0.000 0.405 377 I N 0.531 121.105 120.570 0.007 0.000 2.091 377 I HA -0.381 3.790 4.170 0.002 0.000 0.239 377 I C 2.778 178.899 176.117 0.006 0.000 1.061 377 I CA 1.889 63.191 61.300 0.005 0.000 1.317 377 I CB -0.584 37.391 38.000 -0.041 0.000 1.031 377 I HN 0.293 nan 8.210 nan 0.000 0.401 378 R N 1.723 122.189 120.500 -0.057 0.000 2.152 378 R HA -0.149 4.192 4.340 0.002 0.000 0.232 378 R C 2.182 178.479 176.300 -0.005 0.000 1.117 378 R CA 1.560 57.601 56.100 -0.099 0.000 0.981 378 R CB -0.333 29.820 30.300 -0.244 0.000 0.870 378 R HN 0.343 nan 8.270 nan 0.000 0.451 379 A N 0.363 123.218 122.820 0.058 0.000 2.014 379 A HA -0.046 4.276 4.320 0.002 0.000 0.218 379 A C 2.042 179.735 177.584 0.182 0.000 1.163 379 A CA 1.594 53.711 52.037 0.134 0.000 0.652 379 A CB -0.587 18.516 19.000 0.171 0.000 0.808 379 A HN 0.485 nan 8.150 nan 0.000 0.449 380 T N 0.724 115.375 114.554 0.162 0.000 2.674 380 T HA -0.103 4.248 4.350 0.002 0.000 0.265 380 T C 1.832 176.624 174.700 0.153 0.000 1.039 380 T CA 1.422 63.642 62.100 0.199 0.000 1.150 380 T CB -0.438 68.557 68.868 0.212 0.000 0.864 380 T HN 0.369 nan 8.240 nan 0.000 0.427 381 L N 0.955 122.239 121.223 0.102 0.000 2.013 381 L HA -0.190 4.151 4.340 0.002 0.000 0.212 381 L C 2.782 179.645 176.870 -0.013 0.000 1.073 381 L CA 1.638 56.523 54.840 0.075 0.000 0.753 381 L CB -0.728 41.407 42.059 0.126 0.000 0.890 381 L HN 0.404 nan 8.230 nan 0.000 0.432 382 E N -0.064 120.081 120.200 -0.092 0.000 2.160 382 E HA -0.198 4.153 4.350 0.002 0.000 0.195 382 E C 2.223 178.784 176.600 -0.065 0.000 0.991 382 E CA 1.497 57.718 56.400 -0.297 0.000 0.810 382 E CB -0.152 29.355 29.700 -0.321 0.000 0.742 382 E HN 0.610 nan 8.360 nan 0.000 0.466 383 S N 1.238 117.034 115.700 0.161 0.000 2.400 383 S HA -0.170 4.302 4.470 0.002 0.000 0.232 383 S C 2.069 176.661 174.600 -0.015 0.000 1.025 383 S CA 0.754 59.044 58.200 0.149 0.000 0.993 383 S CB -0.585 62.820 63.200 0.342 0.000 0.808 383 S HN 0.195 nan 8.310 nan 0.000 0.478 384 I N 2.645 123.240 120.570 0.041 0.000 2.118 384 I HA -0.243 3.928 4.170 0.002 0.000 0.241 384 I C 3.090 179.220 176.117 0.021 0.000 1.070 384 I CA 1.479 62.816 61.300 0.062 0.000 1.327 384 I CB -0.853 37.220 38.000 0.122 0.000 1.034 384 I HN 0.416 nan 8.210 nan 0.000 0.405 385 A N 0.043 122.840 122.820 -0.039 0.000 1.933 385 A HA -0.209 4.112 4.320 0.002 0.000 0.218 385 A C 2.144 179.619 177.584 -0.182 0.000 1.175 385 A CA 1.528 53.516 52.037 -0.082 0.000 0.628 385 A CB -0.914 18.062 19.000 -0.040 0.000 0.814 385 A HN 0.420 nan 8.150 nan 0.000 0.444 386 Y N -0.134 120.015 120.300 -0.250 0.000 2.220 386 Y HA -0.156 4.395 4.550 0.003 0.000 0.291 386 Y C 2.696 178.301 175.900 -0.492 0.000 1.129 386 Y CA 1.529 59.296 58.100 -0.555 0.000 1.161 386 Y CB -0.651 36.971 38.460 -1.397 0.000 0.997 386 Y HN 0.386 nan 8.280 nan 0.000 0.522 387 Q N -0.726 118.910 119.800 -0.274 0.000 2.084 387 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 387 Q C 2.209 178.177 176.000 -0.054 0.000 0.978 387 Q CA 2.080 57.848 55.803 -0.058 0.000 0.844 387 Q CB -0.366 28.375 28.738 0.006 0.000 0.898 387 Q HN 0.395 nan 8.270 nan 0.000 0.426 388 T N 0.482 114.985 114.554 -0.085 0.000 2.684 388 T HA -0.233 4.118 4.350 0.002 0.000 0.267 388 T C 1.694 176.344 174.700 -0.084 0.000 1.036 388 T CA 1.724 63.763 62.100 -0.100 0.000 1.148 388 T CB -0.227 68.602 68.868 -0.065 0.000 0.863 388 T HN 0.287 nan 8.240 nan 0.000 0.436 389 R N 0.964 121.412 120.500 -0.088 0.000 2.120 389 R HA -0.122 4.219 4.340 0.002 0.000 0.234 389 R C 1.764 178.049 176.300 -0.024 0.000 1.123 389 R CA 1.818 57.847 56.100 -0.118 0.000 0.975 389 R CB -0.272 29.875 30.300 -0.255 0.000 0.866 389 R HN 0.287 nan 8.270 nan 0.000 0.446 390 D N -0.196 120.261 120.400 0.095 0.000 2.144 390 D HA -0.127 4.514 4.640 0.002 0.000 0.200 390 D C 1.850 178.145 176.300 -0.008 0.000 0.978 390 D CA 1.018 55.106 54.000 0.147 0.000 0.833 390 D CB -0.151 40.733 40.800 0.140 0.000 0.961 390 D HN 0.125 nan 8.370 nan 0.000 0.470 391 V N 1.054 120.936 119.914 -0.054 0.000 2.323 391 V HA -0.145 3.976 4.120 0.002 0.000 0.244 391 V C 2.499 178.563 176.094 -0.050 0.000 1.041 391 V CA 0.904 63.157 62.300 -0.077 0.000 1.025 391 V CB -0.309 31.454 31.823 -0.100 0.000 0.656 391 V HN 0.153 nan 8.190 nan 0.000 0.451 392 L N -0.122 121.068 121.223 -0.056 0.000 2.043 392 L HA -0.238 4.103 4.340 0.002 0.000 0.212 392 L C 2.576 179.421 176.870 -0.042 0.000 1.075 392 L CA 2.070 56.877 54.840 -0.054 0.000 0.752 392 L CB -0.439 41.577 42.059 -0.071 0.000 0.891 392 L HN 0.414 nan 8.230 nan 0.000 0.432 393 E N 0.042 120.221 120.200 -0.035 0.000 2.077 393 E HA -0.254 4.097 4.350 0.002 0.000 0.193 393 E C 2.183 178.778 176.600 -0.008 0.000 0.989 393 E CA 1.172 57.561 56.400 -0.018 0.000 0.800 393 E CB -0.264 29.444 29.700 0.012 0.000 0.746 393 E HN 0.728 nan 8.360 nan 0.000 0.452 394 A N 1.380 124.194 122.820 -0.010 0.000 1.883 394 A HA -0.226 4.096 4.320 0.002 0.000 0.217 394 A C 2.192 179.779 177.584 0.005 0.000 1.186 394 A CA 1.751 53.787 52.037 -0.002 0.000 0.624 394 A CB -0.520 18.474 19.000 -0.011 0.000 0.822 394 A HN 0.175 nan 8.150 nan 0.000 0.444 395 M N -0.287 119.312 119.600 -0.001 0.000 2.108 395 M HA -0.244 4.238 4.480 0.002 0.000 0.261 395 M C 2.245 178.541 176.300 -0.006 0.000 1.066 395 M CA 1.962 57.264 55.300 0.003 0.000 1.107 395 M CB -0.355 32.243 32.600 -0.004 0.000 1.356 395 M HN 0.552 nan 8.290 nan 0.000 0.406 396 Q N -0.846 118.944 119.800 -0.018 0.000 2.084 396 Q HA -0.129 4.212 4.340 0.002 0.000 0.202 396 Q C 2.174 178.167 176.000 -0.012 0.000 0.978 396 Q CA 1.575 57.364 55.803 -0.024 0.000 0.844 396 Q CB -0.426 28.286 28.738 -0.044 0.000 0.898 396 Q HN 0.682 nan 8.270 nan 0.000 0.426 397 A N 1.603 124.421 122.820 -0.003 0.000 1.858 397 A HA -0.238 4.083 4.320 0.002 0.000 0.216 397 A C 1.717 179.306 177.584 0.007 0.000 1.190 397 A CA 1.830 53.869 52.037 0.004 0.000 0.617 397 A CB -0.570 18.437 19.000 0.011 0.000 0.827 397 A HN 0.224 nan 8.150 nan 0.000 0.443 398 D N -0.211 120.195 120.400 0.011 0.000 2.149 398 D HA -0.116 4.525 4.640 0.002 0.000 0.198 398 D C 2.275 178.581 176.300 0.009 0.000 0.990 398 D CA 1.912 55.920 54.000 0.014 0.000 0.839 398 D CB -0.150 40.663 40.800 0.022 0.000 0.948 398 D HN 0.581 nan 8.370 nan 0.000 0.460 399 S N -1.597 114.106 115.700 0.005 0.000 2.524 399 S HA 0.284 4.755 4.470 0.002 0.000 0.215 399 S C 1.794 176.393 174.600 -0.001 0.000 0.986 399 S CA 0.745 58.947 58.200 0.003 0.000 0.911 399 S CB 0.698 63.899 63.200 0.002 0.000 0.805 399 S HN 0.266 nan 8.310 nan 0.000 0.501 400 G N 1.284 110.082 108.800 -0.003 0.000 2.205 400 G HA2 -0.292 3.669 3.960 0.002 0.000 0.269 400 G HA3 -0.292 3.669 3.960 0.002 0.000 0.269 400 G C 0.079 174.971 174.900 -0.013 0.000 0.977 400 G CA 0.892 45.989 45.100 -0.005 0.000 0.652 400 G HN 0.629 nan 8.290 nan 0.000 0.539 401 I N -0.206 120.352 120.570 -0.021 0.000 2.437 401 I HA 0.483 4.654 4.170 0.002 0.000 0.298 401 I C 0.637 176.711 176.117 -0.070 0.000 0.984 401 I CA -1.030 60.248 61.300 -0.036 0.000 1.214 401 I CB 1.697 39.680 38.000 -0.029 0.000 1.365 401 I HN 0.102 nan 8.210 nan 0.000 0.469 402 R N 5.580 126.010 120.500 -0.118 0.000 2.246 402 R HA 0.483 4.824 4.340 0.002 0.000 0.332 402 R C -1.303 174.772 176.300 -0.374 0.000 0.974 402 R CA -0.625 55.346 56.100 -0.215 0.000 0.837 402 R CB 0.643 30.809 30.300 -0.222 0.000 1.145 402 R HN 0.484 nan 8.270 nan 0.000 0.467 403 L N 3.702 124.760 121.223 -0.275 0.000 2.461 403 L HA 0.088 4.429 4.340 0.002 0.000 0.272 403 L C 1.077 177.712 176.870 -0.391 0.000 1.197 403 L CA 0.478 55.172 54.840 -0.243 0.000 0.836 403 L CB 0.721 42.714 42.059 -0.111 0.000 1.105 403 L HN 0.725 nan 8.230 nan 0.000 0.477 404 H N 1.770 120.837 119.070 -0.005 0.000 2.885 404 H HA 0.551 5.109 4.556 0.002 0.000 0.260 404 H C -0.207 175.119 175.328 -0.004 0.000 0.985 404 H CA 0.574 56.618 56.048 -0.007 0.000 1.210 404 H CB 0.960 30.719 29.762 -0.005 0.000 1.466 404 H HN 0.592 nan 8.280 nan 0.000 0.493 405 A N 0.722 123.599 122.820 0.096 0.000 2.594 405 A HA 0.490 4.811 4.320 0.002 0.000 0.295 405 A C -1.836 175.770 177.584 0.037 0.000 1.071 405 A CA -0.611 51.465 52.037 0.066 0.000 0.685 405 A CB 1.587 20.629 19.000 0.069 0.000 1.285 405 A HN 0.089 nan 8.150 nan 0.000 0.405 406 L N 1.027 122.273 121.223 0.038 0.000 2.325 406 L HA 0.805 5.146 4.340 0.002 0.000 0.281 406 L C -0.091 176.812 176.870 0.056 0.000 1.004 406 L CA -0.370 54.491 54.840 0.034 0.000 0.823 406 L CB 1.410 43.485 42.059 0.027 0.000 1.236 406 L HN 0.780 nan 8.230 nan 0.000 0.415 407 R N 3.765 124.296 120.500 0.052 0.000 2.404 407 R HA 0.780 5.121 4.340 0.002 0.000 0.291 407 R C -1.133 175.217 176.300 0.085 0.000 1.025 407 R CA -0.212 55.926 56.100 0.063 0.000 0.991 407 R CB 1.174 31.502 30.300 0.047 0.000 1.053 407 R HN 0.568 nan 8.270 nan 0.000 0.479 408 V N -0.105 119.873 119.914 0.107 0.000 3.160 408 V HA 0.834 4.956 4.120 0.002 0.000 0.310 408 V C -1.301 174.880 176.094 0.146 0.000 1.181 408 V CA -0.731 61.665 62.300 0.160 0.000 1.047 408 V CB 2.341 34.305 31.823 0.235 0.000 1.068 408 V HN 1.009 nan 8.190 nan 0.000 0.441 409 D N -1.014 119.499 120.400 0.188 0.000 2.692 409 D HA 0.853 5.494 4.640 0.002 0.000 0.303 409 D C -0.094 176.328 176.300 0.204 0.000 1.278 409 D CA -0.017 54.074 54.000 0.151 0.000 0.852 409 D CB 1.270 42.130 40.800 0.099 0.000 1.375 409 D HN 1.963 nan 8.370 nan 0.000 0.453 410 G N -2.288 106.605 108.800 0.154 0.000 2.381 410 G HA2 0.410 4.371 3.960 0.002 0.000 0.672 410 G HA3 0.410 4.371 3.960 0.002 0.000 0.672 410 G C 0.525 175.507 174.900 0.138 0.000 1.324 410 G CA -0.063 45.142 45.100 0.174 0.000 0.975 410 G HN 1.119 nan 8.290 nan 0.000 0.593 411 G N -0.320 108.560 108.800 0.134 0.000 2.403 411 G HA2 0.343 4.304 3.960 0.002 0.000 0.216 411 G HA3 0.343 4.304 3.960 0.002 0.000 0.216 411 G C 2.016 176.966 174.900 0.083 0.000 1.154 411 G CA 2.298 47.458 45.100 0.099 0.000 0.784 411 G HN 1.918 nan 8.290 nan 0.000 0.538 412 A N 0.783 123.663 122.820 0.102 0.000 2.121 412 A HA 0.107 4.428 4.320 0.002 0.000 0.218 412 A C 2.509 180.051 177.584 -0.070 0.000 1.154 412 A CA 1.651 53.712 52.037 0.040 0.000 0.679 412 A CB -0.569 18.470 19.000 0.065 0.000 0.795 412 A HN 0.919 nan 8.150 nan 0.000 0.458 413 V N -3.033 116.841 119.914 -0.067 0.000 3.186 413 V HA 0.066 4.188 4.120 0.002 0.000 0.270 413 V C 1.981 178.033 176.094 -0.070 0.000 1.149 413 V CA 1.506 63.716 62.300 -0.150 0.000 1.160 413 V CB -1.237 30.528 31.823 -0.096 0.000 0.758 413 V HN 0.476 nan 8.190 nan 0.000 0.516 414 A N 0.704 123.521 122.820 -0.005 0.000 2.206 414 A HA 0.041 4.362 4.320 0.002 0.000 0.211 414 A C 1.422 179.052 177.584 0.078 0.000 1.158 414 A CA 0.696 52.759 52.037 0.043 0.000 0.761 414 A CB -0.674 18.352 19.000 0.043 0.000 0.801 414 A HN 0.605 nan 8.150 nan 0.000 0.473 415 N N 1.144 119.860 118.700 0.027 0.000 2.482 415 N HA 0.039 4.780 4.740 0.002 0.000 0.242 415 N C -0.019 175.480 175.510 -0.018 0.000 1.100 415 N CA -0.231 52.852 53.050 0.054 0.000 0.946 415 N CB 0.179 38.692 38.487 0.044 0.000 1.227 415 N HN 0.249 nan 8.380 nan 0.000 0.508 416 N N 2.709 121.466 118.700 0.095 0.000 2.104 416 N HA -0.199 4.542 4.740 0.002 0.000 0.190 416 N C 1.380 176.913 175.510 0.039 0.000 1.024 416 N CA 0.914 54.044 53.050 0.133 0.000 0.853 416 N CB -0.441 38.226 38.487 0.300 0.000 1.008 416 N HN 0.554 nan 8.380 nan 0.000 0.424 417 F N 1.967 121.920 119.950 0.005 0.000 2.043 417 F HA -0.202 4.326 4.527 0.002 0.000 0.297 417 F C 2.213 177.990 175.800 -0.038 0.000 1.121 417 F CA 1.135 59.133 58.000 -0.004 0.000 1.199 417 F CB -0.638 38.349 39.000 -0.022 0.000 0.968 417 F HN -0.015 nan 8.300 nan 0.000 0.478 418 L N 0.041 121.131 121.223 -0.222 0.000 2.083 418 L HA -0.204 4.137 4.340 0.002 0.000 0.209 418 L C 2.132 178.734 176.870 -0.448 0.000 1.083 418 L CA 1.708 56.340 54.840 -0.346 0.000 0.752 418 L CB -0.765 41.180 42.059 -0.190 0.000 0.899 418 L HN 0.198 nan 8.230 nan 0.000 0.433 419 M N -1.186 118.068 119.600 -0.577 0.000 2.099 419 M HA -0.184 4.298 4.480 0.002 0.000 0.262 419 M C 2.337 178.172 176.300 -0.776 0.000 1.067 419 M CA 1.709 56.485 55.300 -0.874 0.000 1.124 419 M CB -1.097 30.620 32.600 -1.471 0.000 1.353 419 M HN 0.382 nan 8.290 nan 0.000 0.410 420 Q N 0.242 119.662 119.800 -0.633 0.000 2.061 420 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 420 Q C 1.920 177.754 176.000 -0.277 0.000 0.984 420 Q CA 1.879 57.556 55.803 -0.211 0.000 0.846 420 Q CB -0.640 28.106 28.738 0.014 0.000 0.902 420 Q HN 0.379 nan 8.270 nan 0.000 0.421 421 F N 0.707 120.321 119.950 -0.561 0.000 2.154 421 F HA -0.280 4.248 4.527 0.002 0.000 0.301 421 F C 2.237 177.798 175.800 -0.399 0.000 1.087 421 F CA 2.072 59.736 58.000 -0.560 0.000 1.274 421 F CB -0.336 38.100 39.000 -0.940 0.000 1.009 421 F HN 0.244 nan 8.300 nan 0.000 0.485 422 Q N -0.077 119.520 119.800 -0.339 0.000 2.084 422 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 422 Q C 2.499 178.319 176.000 -0.299 0.000 0.978 422 Q CA 2.165 57.790 55.803 -0.297 0.000 0.844 422 Q CB -0.749 27.853 28.738 -0.226 0.000 0.898 422 Q HN 0.388 nan 8.270 nan 0.000 0.426 423 S N -0.201 115.348 115.700 -0.251 0.000 2.351 423 S HA -0.172 4.300 4.470 0.002 0.000 0.220 423 S C 1.300 175.777 174.600 -0.204 0.000 1.035 423 S CA 1.524 59.629 58.200 -0.158 0.000 1.031 423 S CB -0.516 62.656 63.200 -0.048 0.000 0.928 423 S HN 0.520 nan 8.310 nan 0.000 0.433 424 D N 0.970 121.205 120.400 -0.275 0.000 2.106 424 D HA -0.110 4.531 4.640 0.002 0.000 0.191 424 D C 1.863 177.950 176.300 -0.355 0.000 0.997 424 D CA 1.031 54.859 54.000 -0.286 0.000 0.834 424 D CB -0.618 39.985 40.800 -0.329 0.000 0.956 424 D HN 0.369 nan 8.370 nan 0.000 0.448 425 I N 0.238 120.452 120.570 -0.593 0.000 2.315 425 I HA -0.230 3.941 4.170 0.002 0.000 0.251 425 I C 2.158 178.075 176.117 -0.334 0.000 1.125 425 I CA 1.018 61.998 61.300 -0.532 0.000 1.392 425 I CB 0.121 37.672 38.000 -0.750 0.000 1.065 425 I HN -0.013 nan 8.210 nan 0.000 0.424 426 L N -0.512 120.545 121.223 -0.276 0.000 2.354 426 L HA 0.237 4.578 4.340 0.002 0.000 0.212 426 L C 1.288 178.074 176.870 -0.140 0.000 1.091 426 L CA 0.535 55.254 54.840 -0.202 0.000 0.828 426 L CB -0.502 41.464 42.059 -0.155 0.000 0.973 426 L HN 0.373 nan 8.230 nan 0.000 0.461 427 G N 1.444 110.168 108.800 -0.126 0.000 2.353 427 G HA2 -0.210 3.751 3.960 0.002 0.000 0.294 427 G HA3 -0.210 3.751 3.960 0.002 0.000 0.294 427 G C -0.073 174.805 174.900 -0.037 0.000 1.077 427 G CA 0.387 45.443 45.100 -0.074 0.000 1.098 427 G HN 0.269 nan 8.290 nan 0.000 0.511 428 T N -0.625 113.908 114.554 -0.035 0.000 2.840 428 T HA 0.556 4.907 4.350 0.002 0.000 0.317 428 T C 0.313 175.019 174.700 0.010 0.000 1.401 428 T CA -0.927 61.175 62.100 0.004 0.000 1.028 428 T CB 1.388 70.247 68.868 -0.015 0.000 1.317 428 T HN 0.566 nan 8.240 nan 0.000 0.495 429 R N 0.512 121.036 120.500 0.041 0.000 2.560 429 R HA 0.710 5.051 4.340 0.002 0.000 0.270 429 R C -0.890 175.449 176.300 0.066 0.000 1.074 429 R CA -0.684 55.449 56.100 0.055 0.000 1.140 429 R CB 0.683 31.014 30.300 0.052 0.000 1.073 429 R HN 0.264 nan 8.270 nan 0.000 0.527 430 V N 2.187 122.169 119.914 0.113 0.000 2.482 430 V HA 0.169 4.290 4.120 0.002 0.000 0.295 430 V C -0.477 175.727 176.094 0.183 0.000 1.026 430 V CA -0.773 61.597 62.300 0.117 0.000 0.856 430 V CB 1.477 33.331 31.823 0.052 0.000 1.001 430 V HN 0.824 nan 8.190 nan 0.000 0.424 431 E N 5.051 125.327 120.200 0.126 0.000 2.145 431 E HA 0.517 4.868 4.350 0.002 0.000 0.270 431 E C -0.632 176.043 176.600 0.125 0.000 0.906 431 E CA -0.932 55.545 56.400 0.127 0.000 0.761 431 E CB 2.354 32.102 29.700 0.079 0.000 1.116 431 E HN 0.523 nan 8.360 nan 0.000 0.408 432 R N 4.439 125.036 120.500 0.162 0.000 2.215 432 R HA 0.292 4.633 4.340 0.002 0.000 0.336 432 R C -2.437 173.923 176.300 0.100 0.000 0.996 432 R CA -2.010 54.178 56.100 0.147 0.000 0.847 432 R CB 0.935 31.374 30.300 0.232 0.000 1.127 432 R HN 0.396 nan 8.270 nan 0.000 0.465 433 P HA -0.011 nan 4.420 nan 0.000 0.271 433 P C -0.005 177.326 177.300 0.051 0.000 1.218 433 P CA 0.073 63.206 63.100 0.055 0.000 0.780 433 P CB 0.875 32.605 31.700 0.049 0.000 0.901 434 E N 2.474 122.698 120.200 0.039 0.000 2.110 434 E HA -0.120 4.231 4.350 0.002 0.000 0.193 434 E C 0.230 176.850 176.600 0.033 0.000 0.988 434 E CA 0.809 57.229 56.400 0.033 0.000 0.804 434 E CB 0.006 29.722 29.700 0.026 0.000 0.745 434 E HN 0.190 nan 8.360 nan 0.000 0.458 435 V N 0.188 120.121 119.914 0.032 0.000 2.347 435 V HA 0.613 4.735 4.120 0.002 0.000 0.280 435 V C 0.837 176.951 176.094 0.032 0.000 1.021 435 V CA 0.392 62.710 62.300 0.030 0.000 0.847 435 V CB 1.121 32.961 31.823 0.027 0.000 0.990 435 V HN 0.301 nan 8.190 nan 0.000 0.444 436 R N 3.939 124.461 120.500 0.035 0.000 2.153 436 R HA 0.145 4.486 4.340 0.002 0.000 0.218 436 R C 1.386 177.712 176.300 0.043 0.000 1.072 436 R CA 1.312 57.440 56.100 0.045 0.000 0.990 436 R CB -0.695 nan 30.300 nan 0.000 0.889 436 R HN 0.829 nan 8.270 nan 0.000 0.452 437 E N 0.972 121.190 120.200 0.030 0.000 2.780 437 E HA 0.080 4.431 4.350 0.002 0.000 0.234 437 E C 0.849 177.449 176.600 -0.000 0.000 1.425 437 E CA 0.078 56.491 56.400 0.022 0.000 1.481 437 E CB -0.645 29.067 29.700 0.019 0.000 1.357 437 E HN 0.301 nan 8.360 nan 0.000 0.431 438 V N -0.179 119.736 119.914 0.001 0.000 2.871 438 V HA -0.179 3.942 4.120 0.002 0.000 0.256 438 V C 1.906 177.976 176.094 -0.040 0.000 1.082 438 V CA 1.867 64.150 62.300 -0.029 0.000 1.105 438 V CB -0.169 31.654 31.823 0.000 0.000 0.713 438 V HN 0.460 nan 8.190 nan 0.000 0.473 439 T N 0.395 114.945 114.554 -0.005 0.000 2.821 439 T HA -0.111 4.240 4.350 0.002 0.000 0.267 439 T C 2.071 176.757 174.700 -0.024 0.000 1.046 439 T CA 1.460 63.559 62.100 -0.002 0.000 1.139 439 T CB -0.258 68.622 68.868 0.020 0.000 0.871 439 T HN 0.566 nan 8.240 nan 0.000 0.454 440 A N 1.691 124.494 122.820 -0.028 0.000 1.835 440 A HA 0.004 4.325 4.320 0.002 0.000 0.215 440 A C 2.275 179.803 177.584 -0.093 0.000 1.199 440 A CA 1.170 53.187 52.037 -0.033 0.000 0.615 440 A CB -1.142 17.849 19.000 -0.014 0.000 0.838 440 A HN 0.421 nan 8.150 nan 0.000 0.444 441 L N -0.712 120.411 121.223 -0.166 0.000 2.082 441 L HA -0.337 4.004 4.340 0.002 0.000 0.223 441 L C 2.733 179.187 176.870 -0.694 0.000 1.086 441 L CA 1.790 56.381 54.840 -0.415 0.000 0.793 441 L CB -1.109 40.718 42.059 -0.387 0.000 0.896 441 L HN 0.592 nan 8.230 nan 0.000 0.441 442 G N -1.121 107.464 108.800 -0.358 0.000 2.545 442 G HA2 -0.329 3.632 3.960 0.002 0.000 0.217 442 G HA3 -0.329 3.632 3.960 0.002 0.000 0.217 442 G C 1.683 176.614 174.900 0.052 0.000 1.218 442 G CA 1.185 46.235 45.100 -0.083 0.000 0.787 442 G HN 0.558 nan 8.290 nan 0.000 0.571 443 A N 1.179 124.006 122.820 0.011 0.000 1.892 443 A HA 0.106 4.427 4.320 0.002 0.000 0.218 443 A C 2.872 180.533 177.584 0.129 0.000 1.188 443 A CA 2.822 54.889 52.037 0.049 0.000 0.631 443 A CB -1.044 17.969 19.000 0.023 0.000 0.822 443 A HN 1.061 nan 8.150 nan 0.000 0.447 444 A N -0.840 122.048 122.820 0.113 0.000 1.869 444 A HA -0.177 4.144 4.320 0.002 0.000 0.218 444 A C 2.099 180.086 177.584 0.673 0.000 1.203 444 A CA 1.916 54.128 52.037 0.291 0.000 0.638 444 A CB -1.040 18.136 19.000 0.293 0.000 0.831 444 A HN 0.571 nan 8.150 nan 0.000 0.450 445 Y N -0.097 120.463 120.300 0.434 0.000 2.040 445 Y HA -0.229 4.322 4.550 0.002 0.000 0.275 445 Y C 2.419 178.626 175.900 0.511 0.000 1.171 445 Y CA 0.956 59.314 58.100 0.429 0.000 1.123 445 Y CB -1.473 37.157 38.460 0.282 0.000 0.963 445 Y HN 0.212 nan 8.280 nan 0.000 0.493 446 L N -0.825 120.731 121.223 0.555 0.000 2.089 446 L HA -0.315 4.026 4.340 0.002 0.000 0.213 446 L C 2.519 179.536 176.870 0.244 0.000 1.079 446 L CA 1.437 56.411 54.840 0.222 0.000 0.758 446 L CB -0.739 41.317 42.059 -0.004 0.000 0.891 446 L HN 0.258 nan 8.230 nan 0.000 0.433 447 A N -0.355 122.637 122.820 0.286 0.000 1.861 447 A HA 0.045 4.366 4.320 0.002 0.000 0.212 447 A C 2.391 180.107 177.584 0.219 0.000 1.199 447 A CA 1.054 53.219 52.037 0.213 0.000 0.613 447 A CB -1.123 17.967 19.000 0.151 0.000 0.846 447 A HN 0.386 nan 8.150 nan 0.000 0.446 448 G N 0.172 109.149 108.800 0.295 0.000 2.476 448 G HA2 -0.232 3.729 3.960 0.002 0.000 0.218 448 G HA3 -0.232 3.729 3.960 0.002 0.000 0.218 448 G C 1.531 176.651 174.900 0.366 0.000 1.164 448 G CA 1.108 46.294 45.100 0.142 0.000 0.768 448 G HN 0.377 nan 8.290 nan 0.000 0.560 449 L N 0.561 122.116 121.223 0.554 0.000 2.081 449 L HA -0.172 4.169 4.340 0.002 0.000 0.212 449 L C 3.271 180.283 176.870 0.237 0.000 1.080 449 L CA 1.332 56.416 54.840 0.406 0.000 0.754 449 L CB -0.433 41.842 42.059 0.361 0.000 0.893 449 L HN 0.378 nan 8.230 nan 0.000 0.433 450 A N -1.466 121.471 122.820 0.195 0.000 2.167 450 A HA 0.007 4.329 4.320 0.002 0.000 0.214 450 A C 1.809 179.442 177.584 0.082 0.000 1.151 450 A CA 0.651 52.752 52.037 0.108 0.000 0.735 450 A CB 0.002 19.045 19.000 0.070 0.000 0.802 450 A HN 0.240 nan 8.150 nan 0.000 0.467 451 V N -0.940 119.041 119.914 0.112 0.000 3.214 451 V HA 0.336 4.457 4.120 0.002 0.000 0.330 451 V C 1.528 177.679 176.094 0.096 0.000 1.403 451 V CA 0.678 63.031 62.300 0.088 0.000 1.143 451 V CB -0.347 31.527 31.823 0.085 0.000 1.098 451 V HN 0.893 nan 8.190 nan 0.000 0.463 452 G N 0.404 109.269 108.800 0.108 0.000 2.180 452 G HA2 -0.410 3.551 3.960 0.002 0.000 0.263 452 G HA3 -0.410 3.551 3.960 0.002 0.000 0.263 452 G C 0.777 175.710 174.900 0.056 0.000 0.989 452 G CA 0.912 46.060 45.100 0.080 0.000 0.692 452 G HN 0.531 nan 8.290 nan 0.000 0.526 453 F N -0.628 119.281 119.950 -0.069 0.000 2.171 453 F HA 0.118 4.646 4.527 0.002 0.000 0.300 453 F C 2.108 177.767 175.800 -0.235 0.000 1.090 453 F CA 2.344 60.196 58.000 -0.246 0.000 1.293 453 F CB 0.004 38.709 39.000 -0.493 0.000 1.013 453 F HN 0.339 nan 8.300 nan 0.000 0.486 454 W N -1.849 119.590 121.300 0.232 0.000 3.097 454 W HA 0.185 4.847 4.660 0.002 0.000 0.245 454 W C 2.080 178.637 176.519 0.063 0.000 1.120 454 W CA 1.322 58.740 57.345 0.123 0.000 1.468 454 W CB -0.727 28.769 29.460 0.060 0.000 0.851 454 W HN 0.097 nan 8.180 nan 0.000 0.692 455 Q N 0.727 120.697 119.800 0.283 0.000 2.645 455 Q HA -0.359 3.982 4.340 0.002 0.000 0.188 455 Q C 0.219 176.302 176.000 0.138 0.000 2.862 455 Q CA 2.123 58.025 55.803 0.165 0.000 0.227 455 Q CB -1.903 26.901 28.738 0.110 0.000 0.207 455 Q HN 0.511 nan 8.270 nan 0.000 0.418 456 N N -0.935 117.841 118.700 0.128 0.000 2.225 456 N HA 0.678 5.419 4.740 0.002 0.000 0.298 456 N C 0.778 176.260 175.510 -0.047 0.000 1.076 456 N CA -0.071 53.007 53.050 0.047 0.000 0.792 456 N CB 1.233 39.735 38.487 0.026 0.000 1.498 456 N HN 0.376 nan 8.380 nan 0.000 0.474 457 L N 1.468 122.641 121.223 -0.083 0.000 2.191 457 L HA -0.133 4.208 4.340 0.002 0.000 0.212 457 L C 0.655 177.393 176.870 -0.220 0.000 1.103 457 L CA 1.436 56.147 54.840 -0.215 0.000 0.769 457 L CB -0.145 41.814 42.059 -0.167 0.000 0.908 457 L HN 0.684 nan 8.230 nan 0.000 0.438 458 D N 0.192 120.518 120.400 -0.123 0.000 2.219 458 D HA -0.154 4.488 4.640 0.002 0.000 0.205 458 D C 2.200 178.431 176.300 -0.115 0.000 0.970 458 D CA 1.181 55.118 54.000 -0.105 0.000 0.851 458 D CB -0.089 40.677 40.800 -0.057 0.000 0.943 458 D HN 0.428 nan 8.370 nan 0.000 0.488 459 E N 0.870 121.004 120.200 -0.111 0.000 2.273 459 E HA -0.138 4.213 4.350 0.002 0.000 0.198 459 E C 1.916 178.413 176.600 -0.171 0.000 1.002 459 E CA 1.100 57.449 56.400 -0.085 0.000 0.828 459 E CB -0.978 28.734 29.700 0.019 0.000 0.747 459 E HN 0.475 nan 8.360 nan 0.000 0.491 460 L N -1.834 119.215 121.223 -0.290 0.000 2.808 460 L HA 0.371 4.712 4.340 0.002 0.000 0.246 460 L C 2.185 178.923 176.870 -0.221 0.000 1.153 460 L CA 0.412 55.046 54.840 -0.344 0.000 0.956 460 L CB -0.065 41.587 42.059 -0.677 0.000 1.270 460 L HN 0.254 nan 8.230 nan 0.000 0.528 461 Q N 1.245 120.951 119.800 -0.157 0.000 3.141 461 Q HA 0.467 4.808 4.340 0.002 0.000 0.304 461 Q C 0.920 176.876 176.000 -0.073 0.000 1.305 461 Q CA 0.979 56.718 55.803 -0.107 0.000 0.929 461 Q CB -0.917 27.769 28.738 -0.086 0.000 1.701 461 Q HN 0.683 nan 8.270 nan 0.000 0.483 462 E N -1.251 118.905 120.200 -0.073 0.000 2.527 462 E HA 0.211 4.562 4.350 0.002 0.000 0.211 462 E C 1.786 178.370 176.600 -0.028 0.000 1.031 462 E CA 0.896 57.271 56.400 -0.043 0.000 1.654 462 E CB -0.974 nan 29.700 nan 0.000 2.873 462 E HN 0.790 nan 8.360 nan 0.000 1.109 463 K N 0.592 120.971 120.400 -0.035 0.000 2.362 463 K HA 0.614 4.935 4.320 0.002 0.000 0.200 463 K C 1.730 178.336 176.600 0.010 0.000 1.046 463 K CA 1.161 57.448 56.287 0.000 0.000 0.952 463 K CB -0.487 32.024 32.500 0.020 0.000 0.753 463 K HN 1.144 nan 8.250 nan 0.000 0.466 464 A N 1.536 124.353 122.820 -0.005 0.000 3.118 464 A HA 0.493 4.814 4.320 0.002 0.000 0.256 464 A C 0.153 177.738 177.584 0.001 0.000 1.667 464 A CA -0.357 51.680 52.037 -0.000 0.000 1.338 464 A CB -0.922 18.073 19.000 -0.008 0.000 1.127 464 A HN 0.236 nan 8.150 nan 0.000 0.634 465 V N 1.255 121.173 119.914 0.008 0.000 2.686 465 V HA 0.197 4.318 4.120 0.002 0.000 0.295 465 V C 0.566 176.668 176.094 0.014 0.000 1.055 465 V CA -0.299 62.006 62.300 0.008 0.000 1.050 465 V CB 1.030 32.861 31.823 0.012 0.000 0.984 465 V HN 0.547 nan 8.190 nan 0.000 0.482 466 I N 3.372 123.949 120.570 0.012 0.000 2.301 466 I HA 0.181 4.352 4.170 0.002 0.000 0.292 466 I C 1.395 177.520 176.117 0.013 0.000 1.046 466 I CA 0.044 61.354 61.300 0.018 0.000 1.282 466 I CB 1.210 39.221 38.000 0.018 0.000 1.409 466 I HN 0.850 nan 8.210 nan 0.000 0.484 467 E N 6.661 126.875 120.200 0.024 0.000 2.158 467 E HA -0.085 4.266 4.350 0.002 0.000 0.191 467 E C 0.460 177.058 176.600 -0.004 0.000 0.982 467 E CA 0.737 57.147 56.400 0.016 0.000 0.823 467 E CB 0.528 30.248 29.700 0.033 0.000 0.766 467 E HN 0.613 nan 8.360 nan 0.000 0.468 468 R N -0.130 120.376 120.500 0.010 0.000 2.604 468 R HA 0.221 4.562 4.340 0.002 0.000 0.261 468 R C -1.798 174.469 176.300 -0.054 0.000 1.080 468 R CA -0.489 55.569 56.100 -0.069 0.000 0.917 468 R CB 1.266 31.487 30.300 -0.132 0.000 1.252 468 R HN -0.154 nan 8.270 nan 0.000 0.456 469 E N 3.193 123.296 120.200 -0.162 0.000 2.183 469 E HA 0.396 4.747 4.350 0.002 0.000 0.271 469 E C -1.239 175.212 176.600 -0.248 0.000 0.919 469 E CA -0.705 55.641 56.400 -0.090 0.000 0.781 469 E CB 1.100 30.776 29.700 -0.040 0.000 1.140 469 E HN 0.362 nan 8.360 nan 0.000 0.402 470 F N 1.452 121.388 119.950 -0.023 0.000 2.458 470 F HA 0.572 5.100 4.527 0.002 0.000 0.336 470 F C 0.874 176.651 175.800 -0.038 0.000 1.114 470 F CA -0.374 57.606 58.000 -0.035 0.000 0.987 470 F CB 1.469 40.438 39.000 -0.052 0.000 1.130 470 F HN 0.380 nan 8.300 nan 0.000 0.458 471 R N 2.724 123.275 120.500 0.086 0.000 2.740 471 R HA 0.745 5.086 4.340 0.002 0.000 0.282 471 R C -3.107 173.211 176.300 0.029 0.000 0.969 471 R CA -2.356 53.769 56.100 0.041 0.000 0.918 471 R CB 0.137 30.438 30.300 0.002 0.000 1.175 471 R HN 0.386 nan 8.270 nan 0.000 0.464 472 P HA 0.086 nan 4.420 nan 0.000 0.258 472 P C 0.247 177.539 177.300 -0.014 0.000 1.172 472 P CA 0.519 63.605 63.100 -0.022 0.000 0.762 472 P CB 0.686 32.367 31.700 -0.033 0.000 0.764 473 G N 3.061 111.852 108.800 -0.015 0.000 2.543 473 G HA2 0.270 4.232 3.960 0.002 0.000 0.290 473 G HA3 0.270 4.232 3.960 0.002 0.000 0.290 473 G C 1.203 176.101 174.900 -0.004 0.000 1.310 473 G CA -0.759 44.340 45.100 -0.002 0.000 1.025 473 G HN 0.549 nan 8.290 nan 0.000 0.502 474 I N -2.009 118.565 120.570 0.006 0.000 2.493 474 I HA -0.025 4.146 4.170 0.002 0.000 0.254 474 I C 1.600 177.722 176.117 0.009 0.000 1.160 474 I CA 1.414 62.718 61.300 0.007 0.000 1.445 474 I CB -0.722 37.285 38.000 0.011 0.000 1.086 474 I HN 0.293 nan 8.210 nan 0.000 0.433 475 E N 1.455 121.663 120.200 0.014 0.000 2.331 475 E HA -0.181 4.170 4.350 0.002 0.000 0.199 475 E C 2.077 178.678 176.600 0.000 0.000 1.008 475 E CA 1.503 57.917 56.400 0.024 0.000 0.843 475 E CB -1.037 28.692 29.700 0.049 0.000 0.761 475 E HN 0.541 nan 8.360 nan 0.000 0.507 476 T N -0.152 114.385 114.554 -0.028 0.000 2.996 476 T HA -0.168 4.183 4.350 0.002 0.000 0.271 476 T C 1.652 176.343 174.700 -0.014 0.000 1.126 476 T CA 1.805 63.876 62.100 -0.049 0.000 1.103 476 T CB -0.478 68.350 68.868 -0.067 0.000 0.870 476 T HN 0.482 nan 8.240 nan 0.000 0.528 477 T N -0.775 113.784 114.554 0.008 0.000 2.995 477 T HA 0.049 4.400 4.350 0.002 0.000 0.269 477 T C 1.587 176.315 174.700 0.047 0.000 1.091 477 T CA 0.606 62.719 62.100 0.022 0.000 1.128 477 T CB -0.072 68.807 68.868 0.018 0.000 0.891 477 T HN 0.429 nan 8.240 nan 0.000 0.492 478 E N 1.850 122.090 120.200 0.066 0.000 2.371 478 E HA -0.024 4.327 4.350 0.002 0.000 0.194 478 E C 2.421 179.133 176.600 0.187 0.000 1.012 478 E CA 0.324 56.802 56.400 0.130 0.000 0.860 478 E CB -0.382 29.402 29.700 0.140 0.000 0.811 478 E HN 0.753 nan 8.360 nan 0.000 0.502 479 R N 1.864 122.428 120.500 0.107 0.000 2.140 479 R HA -0.185 4.156 4.340 0.002 0.000 0.250 479 R C 1.295 177.705 176.300 0.184 0.000 1.150 479 R CA 1.881 58.037 56.100 0.094 0.000 0.966 479 R CB -0.652 29.628 30.300 -0.034 0.000 0.869 479 R HN 0.089 nan 8.270 nan 0.000 0.445 480 N N -0.352 118.455 118.700 0.179 0.000 2.459 480 N HA -0.148 4.593 4.740 0.002 0.000 0.181 480 N C 1.426 177.123 175.510 0.311 0.000 1.046 480 N CA 1.011 54.204 53.050 0.238 0.000 0.904 480 N CB -0.248 38.347 38.487 0.179 0.000 0.964 480 N HN 0.386 nan 8.380 nan 0.000 0.444 481 Y N 2.542 122.945 120.300 0.172 0.000 2.231 481 Y HA 0.073 4.624 4.550 0.002 0.000 0.294 481 Y C 2.280 178.316 175.900 0.227 0.000 1.120 481 Y CA 1.083 59.281 58.100 0.163 0.000 1.141 481 Y CB -0.072 38.468 38.460 0.133 0.000 1.022 481 Y HN -0.181 nan 8.280 nan 0.000 0.523 482 R N -0.707 119.959 120.500 0.277 0.000 2.103 482 R HA -0.263 4.078 4.340 0.002 0.000 0.242 482 R C 2.112 178.615 176.300 0.339 0.000 1.142 482 R CA 1.983 58.280 56.100 0.328 0.000 0.960 482 R CB -1.410 29.209 30.300 0.533 0.000 0.858 482 R HN 0.481 nan 8.270 nan 0.000 0.439 483 Y N 1.317 121.739 120.300 0.203 0.000 2.352 483 Y HA -0.067 4.484 4.550 0.002 0.000 0.292 483 Y C 2.225 178.133 175.900 0.014 0.000 1.136 483 Y CA 0.709 58.885 58.100 0.127 0.000 1.227 483 Y CB -0.253 38.321 38.460 0.190 0.000 0.991 483 Y HN 0.073 nan 8.280 nan 0.000 0.545 484 A N -0.184 122.640 122.820 0.007 0.000 1.969 484 A HA -0.021 4.300 4.320 0.002 0.000 0.218 484 A C 2.493 179.899 177.584 -0.298 0.000 1.169 484 A CA 1.393 53.339 52.037 -0.152 0.000 0.635 484 A CB -1.517 17.449 19.000 -0.056 0.000 0.810 484 A HN 0.539 nan 8.150 nan 0.000 0.445 485 G N -0.823 107.803 108.800 -0.291 0.000 2.511 485 G HA2 -0.318 3.643 3.960 0.002 0.000 0.216 485 G HA3 -0.318 3.643 3.960 0.002 0.000 0.216 485 G C 1.502 175.783 174.900 -1.032 0.000 1.218 485 G CA 0.993 45.842 45.100 -0.419 0.000 0.788 485 G HN 0.693 nan 8.290 nan 0.000 0.560 486 W N 1.715 122.180 121.300 -1.392 0.000 2.290 486 W HA -0.197 4.465 4.660 0.003 0.000 0.318 486 W C 2.253 178.259 176.519 -0.854 0.000 1.248 486 W CA 2.113 58.687 57.345 -1.285 0.000 1.263 486 W CB -0.104 28.654 29.460 -1.169 0.000 1.147 486 W HN 0.167 nan 8.180 nan 0.000 0.494 487 K N 0.297 120.226 120.400 -0.784 0.000 2.097 487 K HA -0.219 4.102 4.320 0.002 0.000 0.206 487 K C 2.101 178.299 176.600 -0.669 0.000 1.049 487 K CA 1.507 57.357 56.287 -0.728 0.000 0.933 487 K CB -0.582 31.628 32.500 -0.483 0.000 0.717 487 K HN 0.229 nan 8.250 nan 0.000 0.442 488 K N 1.221 121.254 120.400 -0.611 0.000 2.002 488 K HA -0.151 4.170 4.320 0.002 0.000 0.209 488 K C 2.182 178.359 176.600 -0.705 0.000 1.048 488 K CA 1.322 57.289 56.287 -0.533 0.000 0.930 488 K CB -0.160 32.081 32.500 -0.431 0.000 0.714 488 K HN 0.049 nan 8.250 nan 0.000 0.438 489 A N 1.242 123.510 122.820 -0.920 0.000 1.852 489 A HA -0.212 4.109 4.320 0.002 0.000 0.217 489 A C 2.338 179.340 177.584 -0.971 0.000 1.215 489 A CA 2.373 53.703 52.037 -1.180 0.000 0.641 489 A CB -1.221 17.136 19.000 -1.071 0.000 0.838 489 A HN 0.208 nan 8.150 nan 0.000 0.450 490 V N 0.540 119.808 119.914 -1.077 0.000 2.250 490 V HA -0.369 3.753 4.120 0.002 0.000 0.253 490 V C 2.605 178.305 176.094 -0.657 0.000 1.065 490 V CA 2.698 64.410 62.300 -0.979 0.000 1.039 490 V CB -0.703 30.381 31.823 -1.232 0.000 0.647 490 V HN 0.728 nan 8.190 nan 0.000 0.446 491 K N -0.602 119.450 120.400 -0.580 0.000 2.362 491 K HA -0.199 4.122 4.320 0.002 0.000 0.202 491 K C 2.122 178.555 176.600 -0.278 0.000 1.045 491 K CA 1.490 57.552 56.287 -0.375 0.000 0.936 491 K CB -0.063 32.252 32.500 -0.308 0.000 0.747 491 K HN 0.405 nan 8.250 nan 0.000 0.467 492 R N -1.268 119.032 120.500 -0.332 0.000 2.290 492 R HA 0.134 4.475 4.340 0.002 0.000 0.197 492 R C 1.727 178.041 176.300 0.023 0.000 0.913 492 R CA 0.509 56.520 56.100 -0.148 0.000 1.040 492 R CB 0.407 30.582 30.300 -0.209 0.000 0.992 492 R HN 0.101 nan 8.270 nan 0.000 0.500 493 A N 0.501 123.291 122.820 -0.049 0.000 2.132 493 A HA 0.138 4.459 4.320 0.002 0.000 0.213 493 A C 0.903 178.462 177.584 -0.042 0.000 1.154 493 A CA 0.008 52.007 52.037 -0.063 0.000 0.753 493 A CB -0.024 18.882 19.000 -0.156 0.000 0.826 493 A HN 0.136 nan 8.150 nan 0.000 0.469 494 M N -0.511 119.043 119.600 -0.077 0.000 2.250 494 M HA 0.233 4.714 4.480 0.002 0.000 0.337 494 M C 1.083 177.444 176.300 0.103 0.000 1.161 494 M CA 0.900 56.185 55.300 -0.025 0.000 1.088 494 M CB 0.163 32.707 32.600 -0.092 0.000 1.639 494 M HN 0.760 nan 8.290 nan 0.000 0.447 495 A N 3.048 125.967 122.820 0.165 0.000 2.745 495 A HA -0.193 4.128 4.320 0.002 0.000 0.296 495 A C 0.921 178.656 177.584 0.251 0.000 1.500 495 A CA 1.251 53.422 52.037 0.222 0.000 0.766 495 A CB -2.306 16.775 19.000 0.135 0.000 1.030 495 A HN 1.151 nan 8.150 nan 0.000 0.489 496 W N -0.153 121.180 121.300 0.056 0.000 2.381 496 W HA -0.013 4.648 4.660 0.002 0.000 0.321 496 W C 0.936 177.484 176.519 0.049 0.000 1.196 496 W CA 1.479 58.839 57.345 0.025 0.000 1.304 496 W CB -0.108 29.346 29.460 -0.010 0.000 1.166 496 W HN 0.633 nan 8.180 nan 0.000 0.473 497 E N 1.554 121.893 120.200 0.231 0.000 2.422 497 E HA -0.045 4.306 4.350 0.002 0.000 0.260 497 E C -0.870 175.728 176.600 -0.003 0.000 1.108 497 E CA 0.765 57.217 56.400 0.086 0.000 0.943 497 E CB 0.797 30.667 29.700 0.283 0.000 0.961 497 E HN 0.097 nan 8.360 nan 0.000 0.443 498 E N 0.356 120.535 120.200 -0.034 0.000 2.316 498 E HA 0.547 4.898 4.350 0.002 0.000 0.258 498 E C -1.072 175.586 176.600 0.097 0.000 0.952 498 E CA -0.618 55.754 56.400 -0.046 0.000 0.818 498 E CB 1.447 31.065 29.700 -0.137 0.000 1.260 498 E HN 0.669 nan 8.360 nan 0.000 0.416 499 H N 0.000 118.946 119.070 -0.207 0.000 2.539 499 H HA 0.000 4.557 4.556 0.002 0.000 0.296 499 H CA 0.000 55.977 56.048 -0.119 0.000 1.023 499 H CB 0.000 29.685 29.762 -0.128 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496