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 3mje_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VWGSGGQPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EVGMXXXXXX HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSALS 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.440 174.600 -0.267 0.000 1.055 -2 S CA 0.000 58.064 58.200 -0.226 0.000 1.107 -2 S CB 0.000 63.115 63.200 -0.141 0.000 0.593 -1 H N 0.418 119.415 119.070 -0.121 0.000 2.321 -1 H HA 0.063 4.628 4.556 0.015 0.000 0.300 -1 H C 1.950 177.201 175.328 -0.127 0.000 1.087 -1 H CA 2.228 58.194 56.048 -0.136 0.000 1.319 -1 H CB -0.367 29.254 29.762 -0.235 0.000 1.379 -1 H HN 0.456 nan 8.280 nan 0.000 0.501 0 M N 0.422 119.994 119.600 -0.046 0.000 2.132 0 M HA -0.136 4.353 4.480 0.015 0.000 0.263 0 M C 1.780 178.069 176.300 -0.018 0.000 1.065 0 M CA 1.239 56.520 55.300 -0.030 0.000 1.122 0 M CB -0.031 32.548 32.600 -0.035 0.000 1.365 0 M HN 0.062 nan 8.290 nan 0.000 0.411 1 D N 0.664 121.032 120.400 -0.052 0.000 2.149 1 D HA -0.109 4.540 4.640 0.015 0.000 0.198 1 D C 1.882 178.133 176.300 -0.083 0.000 0.990 1 D CA 1.573 55.531 54.000 -0.069 0.000 0.839 1 D CB -0.138 40.603 40.800 -0.097 0.000 0.948 1 D HN 0.355 nan 8.370 nan 0.000 0.460 2 A N 0.281 123.059 122.820 -0.070 0.000 2.168 2 A HA -0.024 4.305 4.320 0.015 0.000 0.215 2 A C 2.206 179.797 177.584 0.011 0.000 1.152 2 A CA 0.435 52.438 52.037 -0.056 0.000 0.716 2 A CB -0.460 18.529 19.000 -0.020 0.000 0.794 2 A HN 0.215 nan 8.150 nan 0.000 0.465 3 L N -1.025 120.228 121.223 0.051 0.000 2.492 3 L HA 0.062 4.411 4.340 0.015 0.000 0.223 3 L C 0.815 177.790 176.870 0.175 0.000 1.132 3 L CA 0.188 55.123 54.840 0.160 0.000 0.850 3 L CB -0.164 41.981 42.059 0.143 0.000 0.966 3 L HN 0.232 nan 8.230 nan 0.000 0.454 4 R N -0.342 120.154 120.500 -0.007 0.000 2.312 4 R HA 0.480 4.829 4.340 0.015 0.000 0.311 4 R C -1.451 174.768 176.300 -0.134 0.000 1.004 4 R CA -0.371 55.746 56.100 0.028 0.000 0.902 4 R CB 1.157 31.453 30.300 -0.007 0.000 1.073 4 R HN -0.136 nan 8.270 nan 0.000 0.457 5 Y N 0.487 120.867 120.300 0.132 0.000 2.576 5 Y HA 0.355 4.913 4.550 0.013 0.000 0.346 5 Y C 0.184 176.222 175.900 0.230 0.000 1.018 5 Y CA -0.925 57.269 58.100 0.157 0.000 1.050 5 Y CB 1.955 40.487 38.460 0.119 0.000 1.280 5 Y HN 0.672 nan 8.280 nan 0.000 0.474 6 H N -0.794 118.375 119.070 0.165 0.000 2.980 6 H HA 0.668 5.223 4.556 -0.000 0.000 0.367 6 H C -1.585 173.781 175.328 0.063 0.000 1.206 6 H CA -1.212 54.896 56.048 0.101 0.000 1.126 6 H CB 1.343 31.144 29.762 0.064 0.000 1.838 6 H HN 0.400 nan 8.280 nan 0.000 0.552 7 I N 2.395 122.898 120.570 -0.111 0.000 2.441 7 I HA 0.169 4.348 4.170 0.015 0.000 0.287 7 I C 0.112 176.016 176.117 -0.353 0.000 1.049 7 I CA 0.143 61.302 61.300 -0.235 0.000 1.381 7 I CB 0.872 38.807 38.000 -0.109 0.000 1.409 7 I HN 0.784 nan 8.210 nan 0.000 0.523 8 E N 4.710 124.663 120.200 -0.413 0.000 2.359 8 E HA 0.482 4.841 4.350 0.015 0.000 0.266 8 E C -1.729 174.667 176.600 -0.340 0.000 0.920 8 E CA -0.645 55.607 56.400 -0.248 0.000 0.788 8 E CB 2.112 31.676 29.700 -0.228 0.000 1.279 8 E HN 0.365 nan 8.360 nan 0.000 0.438 9 W N 0.940 122.208 121.300 -0.053 0.000 2.619 9 W HA 0.405 5.064 4.660 -0.002 0.000 0.327 9 W C -0.311 176.203 176.519 -0.009 0.000 1.027 9 W CA -0.295 57.038 57.345 -0.021 0.000 1.233 9 W CB 1.173 30.618 29.460 -0.025 0.000 1.370 9 W HN 0.316 nan 8.180 nan 0.000 0.453 10 N N 1.771 120.575 118.700 0.174 0.000 2.292 10 N HA 0.466 5.215 4.740 0.015 0.000 0.303 10 N C -0.764 174.822 175.510 0.127 0.000 1.140 10 N CA -1.257 51.862 53.050 0.114 0.000 0.788 10 N CB 2.005 40.522 38.487 0.049 0.000 1.361 10 N HN 0.311 nan 8.380 nan 0.000 0.489 11 R N 1.418 121.975 120.500 0.095 0.000 2.537 11 R HA 0.201 4.550 4.340 0.015 0.000 0.280 11 R C -0.186 176.159 176.300 0.075 0.000 1.058 11 R CA -0.290 55.861 56.100 0.085 0.000 1.057 11 R CB 0.293 30.628 30.300 0.059 0.000 0.973 11 R HN 0.429 nan 8.270 nan 0.000 0.438 12 V N 0.965 120.926 119.914 0.080 0.000 3.229 12 V HA 0.798 4.927 4.120 0.015 0.000 0.310 12 V C -0.053 176.074 176.094 0.055 0.000 1.206 12 V CA -0.924 61.418 62.300 0.070 0.000 1.051 12 V CB 1.189 33.063 31.823 0.086 0.000 1.183 12 V HN 0.938 nan 8.190 nan 0.000 0.466 13 A N 0.325 123.174 122.820 0.049 0.000 2.498 13 A HA 0.358 4.687 4.320 0.015 0.000 0.239 13 A C 0.420 178.024 177.584 0.033 0.000 1.068 13 A CA -0.097 51.963 52.037 0.037 0.000 0.766 13 A CB -0.373 18.648 19.000 0.034 0.000 1.003 13 A HN 0.837 nan 8.150 nan 0.000 0.497 14 E N 2.390 122.605 120.200 0.025 0.000 2.465 14 E HA 0.142 4.501 4.350 0.015 0.000 0.260 14 E C -1.684 174.924 176.600 0.014 0.000 0.980 14 E CA -0.935 55.475 56.400 0.017 0.000 0.927 14 E CB 0.104 29.811 29.700 0.012 0.000 0.934 14 E HN 0.531 nan 8.360 nan 0.000 0.459 15 P HA 0.131 nan 4.420 nan 0.000 0.275 15 P C 0.279 177.577 177.300 -0.004 0.000 1.266 15 P CA -0.457 62.643 63.100 0.000 0.000 0.793 15 P CB 0.548 32.238 31.700 -0.016 0.000 1.074 16 G N -0.795 108.001 108.800 -0.005 0.000 2.653 16 G HA2 0.306 4.275 3.960 0.015 0.000 0.265 16 G HA3 0.306 4.275 3.960 0.015 0.000 0.265 16 G C 0.939 175.829 174.900 -0.016 0.000 1.237 16 G CA 0.197 45.293 45.100 -0.007 0.000 0.946 16 G HN 0.601 nan 8.290 nan 0.000 0.522 17 T N -3.120 111.425 114.554 -0.016 0.000 3.044 17 T HA 0.481 4.840 4.350 0.015 0.000 0.250 17 T C 0.982 175.667 174.700 -0.026 0.000 1.081 17 T CA 0.609 62.697 62.100 -0.019 0.000 1.040 17 T CB 0.202 69.062 68.868 -0.014 0.000 0.962 17 T HN 0.791 nan 8.240 nan 0.000 0.506 18 A N 2.655 125.457 122.820 -0.030 0.000 2.331 18 A HA 0.645 4.974 4.320 0.015 0.000 0.283 18 A C 0.670 178.219 177.584 -0.059 0.000 1.142 18 A CA -1.116 50.897 52.037 -0.040 0.000 0.812 18 A CB 0.421 19.399 19.000 -0.037 0.000 1.074 18 A HN 0.692 nan 8.150 nan 0.000 0.497 19 R N 1.924 122.384 120.500 -0.066 0.000 2.652 19 R HA 0.464 4.813 4.340 0.015 0.000 0.271 19 R C -2.594 173.622 176.300 -0.141 0.000 1.129 19 R CA -1.269 54.776 56.100 -0.091 0.000 1.200 19 R CB -0.726 29.529 30.300 -0.075 0.000 1.146 19 R HN 0.338 nan 8.270 nan 0.000 0.581 20 P HA -0.003 nan 4.420 nan 0.000 0.268 20 P C -0.246 176.877 177.300 -0.295 0.000 1.205 20 P CA 0.275 63.125 63.100 -0.416 0.000 0.771 20 P CB 1.011 32.335 31.700 -0.626 0.000 0.858 21 A N 3.549 126.207 122.820 -0.269 0.000 1.873 21 A HA 0.115 4.444 4.320 0.015 0.000 0.215 21 A C 1.379 178.916 177.584 -0.079 0.000 1.186 21 A CA 1.705 53.670 52.037 -0.120 0.000 0.616 21 A CB -1.232 17.731 19.000 -0.061 0.000 0.823 21 A HN 0.617 nan 8.150 nan 0.000 0.442 22 G N -1.184 107.577 108.800 -0.066 0.000 2.543 22 G HA2 0.461 4.430 3.960 0.015 0.000 0.290 22 G HA3 0.461 4.430 3.960 0.015 0.000 0.290 22 G C -0.126 174.813 174.900 0.065 0.000 1.310 22 G CA -0.759 44.363 45.100 0.037 0.000 1.025 22 G HN 0.440 nan 8.290 nan 0.000 0.502 23 R N -0.836 119.734 120.500 0.117 0.000 2.308 23 R HA 0.407 4.756 4.340 0.015 0.000 0.305 23 R C -0.085 176.412 176.300 0.329 0.000 1.053 23 R CA -0.351 55.854 56.100 0.174 0.000 0.957 23 R CB 0.495 30.889 30.300 0.157 0.000 1.022 23 R HN 0.323 nan 8.270 nan 0.000 0.461 24 L N 4.142 125.506 121.223 0.235 0.000 2.399 24 L HA 0.386 4.735 4.340 0.015 0.000 0.266 24 L C -0.492 176.434 176.870 0.092 0.000 1.114 24 L CA -0.894 54.058 54.840 0.186 0.000 0.804 24 L CB 1.083 43.192 42.059 0.084 0.000 1.146 24 L HN 0.431 nan 8.230 nan 0.000 0.451 25 L N 2.521 123.648 121.223 -0.160 0.000 2.298 25 L HA 0.678 5.027 4.340 0.015 0.000 0.284 25 L C -0.230 176.531 176.870 -0.181 0.000 1.013 25 L CA -0.126 54.478 54.840 -0.393 0.000 0.824 25 L CB 1.203 42.649 42.059 -1.021 0.000 1.221 25 L HN 0.616 nan 8.230 nan 0.000 0.418 26 A N 5.041 127.801 122.820 -0.100 0.000 2.301 26 A HA 0.749 5.078 4.320 0.015 0.000 0.312 26 A C -0.937 176.624 177.584 -0.038 0.000 1.182 26 A CA -0.519 51.487 52.037 -0.052 0.000 0.826 26 A CB 1.060 20.035 19.000 -0.041 0.000 1.134 26 A HN 0.540 nan 8.150 nan 0.000 0.501 27 V N 4.123 124.022 119.914 -0.025 0.000 2.384 27 V HA 0.420 4.549 4.120 0.015 0.000 0.287 27 V C -0.302 175.740 176.094 -0.087 0.000 1.020 27 V CA -0.098 62.188 62.300 -0.023 0.000 0.850 27 V CB 1.034 32.873 31.823 0.028 0.000 0.987 27 V HN 0.742 nan 8.190 nan 0.000 0.436 28 I N 2.889 123.360 120.570 -0.165 0.000 2.530 28 I HA 0.411 4.590 4.170 0.015 0.000 0.297 28 I C 0.239 176.241 176.117 -0.191 0.000 1.011 28 I CA -0.412 60.789 61.300 -0.165 0.000 1.107 28 I CB 2.208 40.108 38.000 -0.166 0.000 1.285 28 I HN 0.543 nan 8.210 nan 0.000 0.436 29 S N 6.667 122.299 115.700 -0.112 0.000 2.411 29 S HA 0.324 4.803 4.470 0.015 0.000 0.294 29 S C -1.382 173.185 174.600 -0.055 0.000 1.115 29 S CA -1.562 56.605 58.200 -0.056 0.000 1.071 29 S CB 0.732 63.967 63.200 0.059 0.000 0.967 29 S HN 0.417 nan 8.310 nan 0.000 0.488 30 P HA -0.011 nan 4.420 nan 0.000 0.223 30 P C 0.186 177.410 177.300 -0.127 0.000 1.151 30 P CA 0.826 63.854 63.100 -0.119 0.000 0.787 30 P CB 0.147 31.769 31.700 -0.130 0.000 0.788 31 D N -1.492 118.822 120.400 -0.144 0.000 2.340 31 D HA -0.011 4.638 4.640 0.015 0.000 0.220 31 D C 0.447 176.370 176.300 -0.628 0.000 1.039 31 D CA 0.674 54.462 54.000 -0.352 0.000 0.866 31 D CB -0.162 40.411 40.800 -0.378 0.000 0.913 31 D HN 0.391 nan 8.370 nan 0.000 0.523 32 H N -0.507 118.525 119.070 -0.063 0.000 2.712 32 H HA 0.467 5.032 4.556 0.015 0.000 0.226 32 H C -0.050 175.212 175.328 -0.111 0.000 1.422 32 H CA -0.198 55.813 56.048 -0.061 0.000 1.270 32 H CB 0.816 30.561 29.762 -0.027 0.000 1.891 32 H HN -0.006 nan 8.280 nan 0.000 0.518 33 A N 0.056 122.827 122.820 -0.081 0.000 2.538 33 A HA 0.362 4.691 4.320 0.015 0.000 0.269 33 A C 1.874 179.369 177.584 -0.148 0.000 1.231 33 A CA 0.396 52.350 52.037 -0.138 0.000 0.948 33 A CB 0.281 19.204 19.000 -0.129 0.000 1.110 33 A HN 0.447 nan 8.150 nan 0.000 0.529 34 G N -0.542 108.189 108.800 -0.115 0.000 3.126 34 G HA2 0.427 4.396 3.960 0.015 0.000 0.224 34 G HA3 0.427 4.396 3.960 0.015 0.000 0.224 34 G C 0.720 175.566 174.900 -0.090 0.000 1.142 34 G CA 0.670 45.713 45.100 -0.095 0.000 0.759 34 G HN 0.707 nan 8.290 nan 0.000 0.550 35 A N 1.066 123.813 122.820 -0.123 0.000 2.483 35 A HA 0.491 4.820 4.320 0.015 0.000 0.238 35 A C -0.610 176.915 177.584 -0.098 0.000 1.070 35 A CA -0.670 51.321 52.037 -0.078 0.000 0.770 35 A CB 0.694 19.649 19.000 -0.075 0.000 1.008 35 A HN 0.078 nan 8.150 nan 0.000 0.497 36 P HA -0.188 nan 4.420 nan 0.000 0.216 36 P C 1.524 178.872 177.300 0.079 0.000 1.153 36 P CA 2.011 65.139 63.100 0.047 0.000 0.858 36 P CB -0.147 31.609 31.700 0.093 0.000 0.789 37 W N -1.032 120.275 121.300 0.013 0.000 2.425 37 W HA -0.033 4.639 4.660 0.021 0.000 0.277 37 W C 1.151 177.677 176.519 0.012 0.000 1.231 37 W CA 0.433 57.785 57.345 0.013 0.000 1.248 37 W CB -1.652 27.820 29.460 0.020 0.000 1.117 37 W HN -0.221 nan 8.180 nan 0.000 0.568 38 V N 2.340 121.819 119.914 -0.725 0.000 2.307 38 V HA -0.296 3.833 4.120 0.015 0.000 0.245 38 V C 2.608 178.535 176.094 -0.277 0.000 1.045 38 V CA 2.860 64.746 62.300 -0.690 0.000 1.024 38 V CB -1.436 29.927 31.823 -0.768 0.000 0.651 38 V HN 0.160 nan 8.190 nan 0.000 0.449 39 T N 0.519 114.961 114.554 -0.187 0.000 2.720 39 T HA -0.207 4.151 4.350 0.015 0.000 0.268 39 T C 2.032 176.705 174.700 -0.044 0.000 1.037 39 T CA 1.799 63.843 62.100 -0.093 0.000 1.144 39 T CB -0.432 68.400 68.868 -0.059 0.000 0.864 39 T HN 0.576 nan 8.240 nan 0.000 0.444 40 A N 0.623 123.441 122.820 -0.003 0.000 1.930 40 A HA -0.006 4.323 4.320 0.015 0.000 0.217 40 A C 2.571 180.175 177.584 0.034 0.000 1.175 40 A CA 1.151 53.207 52.037 0.032 0.000 0.627 40 A CB -0.837 18.209 19.000 0.077 0.000 0.815 40 A HN 0.364 nan 8.150 nan 0.000 0.443 41 V N 0.062 120.005 119.914 0.048 0.000 2.358 41 V HA -0.216 3.913 4.120 0.015 0.000 0.246 41 V C 2.539 178.632 176.094 -0.001 0.000 1.047 41 V CA 1.793 64.123 62.300 0.051 0.000 1.035 41 V CB -0.681 31.206 31.823 0.107 0.000 0.658 41 V HN 0.568 nan 8.190 nan 0.000 0.452 42 L N 0.020 121.220 121.223 -0.038 0.000 2.083 42 L HA -0.211 4.138 4.340 0.015 0.000 0.209 42 L C 2.342 179.195 176.870 -0.027 0.000 1.083 42 L CA 1.940 56.754 54.840 -0.043 0.000 0.752 42 L CB -0.595 41.424 42.059 -0.067 0.000 0.899 42 L HN 0.394 nan 8.230 nan 0.000 0.433 43 D N -0.096 120.291 120.400 -0.022 0.000 2.144 43 D HA -0.139 4.510 4.640 0.015 0.000 0.200 43 D C 2.139 178.433 176.300 -0.011 0.000 0.978 43 D CA 1.195 55.186 54.000 -0.015 0.000 0.833 43 D CB 0.192 40.986 40.800 -0.011 0.000 0.961 43 D HN 0.242 nan 8.370 nan 0.000 0.470 44 A N 0.060 122.877 122.820 -0.005 0.000 1.969 44 A HA -0.047 4.281 4.320 0.015 0.000 0.218 44 A C 2.307 179.882 177.584 -0.016 0.000 1.169 44 A CA 0.786 52.818 52.037 -0.008 0.000 0.635 44 A CB -0.685 18.315 19.000 -0.001 0.000 0.810 44 A HN 0.357 nan 8.150 nan 0.000 0.445 45 L N -1.027 120.187 121.223 -0.015 0.000 2.275 45 L HA 0.135 4.484 4.340 0.015 0.000 0.215 45 L C 1.407 178.268 176.870 -0.014 0.000 1.119 45 L CA 0.414 55.244 54.840 -0.018 0.000 0.790 45 L CB -1.295 40.755 42.059 -0.014 0.000 0.919 45 L HN 0.628 nan 8.230 nan 0.000 0.443 46 G N 0.122 108.914 108.800 -0.013 0.000 2.814 46 G HA2 -0.184 3.784 3.960 0.015 0.000 0.677 46 G HA3 -0.184 3.784 3.960 0.015 0.000 0.677 46 G C -2.048 172.848 174.900 -0.006 0.000 1.429 46 G CA -0.294 44.800 45.100 -0.010 0.000 0.868 46 G HN 0.069 nan 8.290 nan 0.000 0.553 47 P HA 0.087 nan 4.420 nan 0.000 0.233 47 P C 0.638 177.943 177.300 0.007 0.000 1.167 47 P CA 1.255 64.354 63.100 -0.002 0.000 0.770 47 P CB 0.209 31.907 31.700 -0.004 0.000 0.837 48 D N -0.591 119.816 120.400 0.011 0.000 2.347 48 D HA -0.010 4.639 4.640 0.015 0.000 0.213 48 D C 0.442 176.767 176.300 0.042 0.000 0.985 48 D CA 0.628 54.642 54.000 0.022 0.000 0.879 48 D CB -0.755 40.055 40.800 0.016 0.000 0.919 48 D HN 0.079 nan 8.370 nan 0.000 0.526 49 T N 1.122 115.697 114.554 0.035 0.000 2.908 49 T HA 0.084 4.443 4.350 0.015 0.000 0.301 49 T C 0.536 175.266 174.700 0.051 0.000 1.019 49 T CA -0.116 62.012 62.100 0.046 0.000 1.152 49 T CB 1.071 69.950 68.868 0.019 0.000 0.966 49 T HN -0.225 nan 8.240 nan 0.000 0.540 50 V N 5.695 125.660 119.914 0.085 0.000 2.686 50 V HA 0.293 4.421 4.120 0.015 0.000 0.295 50 V C 0.700 176.801 176.094 0.012 0.000 1.055 50 V CA -0.215 62.133 62.300 0.079 0.000 1.050 50 V CB 0.812 32.745 31.823 0.183 0.000 0.984 50 V HN 0.724 nan 8.190 nan 0.000 0.482 51 R N 3.304 123.814 120.500 0.017 0.000 2.494 51 R HA 0.514 4.862 4.340 0.015 0.000 0.305 51 R C -1.361 174.964 176.300 0.042 0.000 0.959 51 R CA -0.499 55.600 56.100 -0.002 0.000 0.864 51 R CB 2.037 32.320 30.300 -0.028 0.000 1.159 51 R HN 0.618 nan 8.270 nan 0.000 0.446 52 F N 2.337 122.202 119.950 -0.142 0.000 2.449 52 F HA 0.309 4.845 4.527 0.014 0.000 0.342 52 F C -0.406 175.274 175.800 -0.200 0.000 1.127 52 F CA -0.818 57.080 58.000 -0.170 0.000 0.975 52 F CB 1.419 40.294 39.000 -0.208 0.000 1.146 52 F HN 0.418 nan 8.300 nan 0.000 0.444 53 E N 4.952 124.684 120.200 -0.779 0.000 2.152 53 E HA 0.485 4.844 4.350 0.015 0.000 0.285 53 E C -0.688 175.154 176.600 -1.264 0.000 1.043 53 E CA -0.658 55.296 56.400 -0.744 0.000 0.839 53 E CB 1.216 30.676 29.700 -0.399 0.000 1.069 53 E HN 0.680 nan 8.360 nan 0.000 0.399 54 A N 4.559 126.710 122.820 -1.115 0.000 2.391 54 A HA 0.169 4.498 4.320 0.015 0.000 0.316 54 A C -0.016 177.269 177.584 -0.497 0.000 1.381 54 A CA -0.394 50.846 52.037 -1.327 0.000 0.998 54 A CB 0.053 18.276 19.000 -1.295 0.000 1.147 54 A HN 0.484 nan 8.150 nan 0.000 0.545 55 K N 2.928 123.241 120.400 -0.146 0.000 2.227 55 K HA 0.531 4.860 4.320 0.015 0.000 0.280 55 K C 0.998 177.853 176.600 0.425 0.000 1.041 55 K CA 0.904 57.267 56.287 0.127 0.000 0.905 55 K CB 0.593 33.132 32.500 0.066 0.000 1.068 55 K HN 1.418 nan 8.250 nan 0.000 0.470 56 G N 2.259 111.234 108.800 0.292 0.000 2.528 56 G HA2 -0.286 3.683 3.960 0.015 0.000 0.262 56 G HA3 -0.286 3.683 3.960 0.015 0.000 0.262 56 G C -0.478 174.610 174.900 0.313 0.000 1.200 56 G CA 0.110 45.347 45.100 0.229 0.000 0.951 56 G HN 0.903 nan 8.290 nan 0.000 0.566 57 T N -2.698 111.913 114.554 0.095 0.000 3.296 57 T HA 0.545 4.904 4.350 0.015 0.000 0.333 57 T C -1.147 173.323 174.700 -0.384 0.000 1.280 57 T CA 0.388 62.395 62.100 -0.154 0.000 1.558 57 T CB 1.489 70.438 68.868 0.135 0.000 0.929 57 T HN 0.793 nan 8.240 nan 0.000 0.596 58 D N 1.462 121.358 120.400 -0.841 0.000 2.363 58 D HA 0.265 4.913 4.640 0.015 0.000 0.258 58 D C 1.117 176.952 176.300 -0.775 0.000 1.259 58 D CA -0.719 52.938 54.000 -0.573 0.000 0.921 58 D CB 1.382 42.016 40.800 -0.277 0.000 1.201 58 D HN 0.422 nan 8.370 nan 0.000 0.524 59 R N 2.399 122.572 120.500 -0.545 0.000 2.096 59 R HA -0.207 4.142 4.340 0.015 0.000 0.240 59 R C 1.649 177.870 176.300 -0.132 0.000 1.139 59 R CA 2.139 58.039 56.100 -0.334 0.000 0.952 59 R CB 0.047 30.233 30.300 -0.191 0.000 0.854 59 R HN 0.363 nan 8.270 nan 0.000 0.436 60 A N 0.309 123.069 122.820 -0.101 0.000 1.930 60 A HA -0.022 4.306 4.320 0.015 0.000 0.217 60 A C 2.308 179.912 177.584 0.033 0.000 1.175 60 A CA 1.490 53.516 52.037 -0.019 0.000 0.627 60 A CB -0.605 18.384 19.000 -0.019 0.000 0.815 60 A HN 0.566 nan 8.150 nan 0.000 0.443 61 A N -1.197 121.639 122.820 0.027 0.000 1.930 61 A HA -0.070 4.259 4.320 0.015 0.000 0.217 61 A C 1.916 179.700 177.584 0.334 0.000 1.175 61 A CA 1.335 53.462 52.037 0.149 0.000 0.627 61 A CB -0.703 18.391 19.000 0.156 0.000 0.815 61 A HN 0.720 nan 8.150 nan 0.000 0.443 62 W N -0.226 121.145 121.300 0.119 0.000 2.388 62 W HA 0.081 4.749 4.660 0.014 0.000 0.294 62 W C 2.733 179.256 176.519 0.006 0.000 1.212 62 W CA 0.312 57.747 57.345 0.149 0.000 1.271 62 W CB -1.347 28.240 29.460 0.211 0.000 1.126 62 W HN 0.409 nan 8.180 nan 0.000 0.535 63 A N 0.800 123.756 122.820 0.227 0.000 1.908 63 A HA -0.074 4.255 4.320 0.015 0.000 0.218 63 A C 2.271 179.893 177.584 0.063 0.000 1.181 63 A CA 2.976 55.071 52.037 0.097 0.000 0.627 63 A CB -1.122 17.914 19.000 0.061 0.000 0.818 63 A HN 0.147 nan 8.150 nan 0.000 0.445 64 A N -0.948 121.925 122.820 0.087 0.000 1.930 64 A HA -0.162 4.167 4.320 0.015 0.000 0.217 64 A C 2.099 179.722 177.584 0.064 0.000 1.175 64 A CA 1.612 53.690 52.037 0.068 0.000 0.627 64 A CB -0.492 18.553 19.000 0.074 0.000 0.815 64 A HN 0.647 nan 8.150 nan 0.000 0.443 65 Q N -0.399 119.460 119.800 0.099 0.000 2.119 65 Q HA -0.023 4.326 4.340 0.015 0.000 0.201 65 Q C 1.988 177.937 176.000 -0.085 0.000 0.972 65 Q CA 1.325 57.170 55.803 0.069 0.000 0.847 65 Q CB -0.294 28.581 28.738 0.228 0.000 0.903 65 Q HN 0.668 nan 8.270 nan 0.000 0.433 66 L N -0.014 121.083 121.223 -0.210 0.000 2.056 66 L HA -0.133 4.216 4.340 0.015 0.000 0.207 66 L C 2.480 179.306 176.870 -0.075 0.000 1.078 66 L CA 0.860 55.542 54.840 -0.264 0.000 0.749 66 L CB -0.566 41.318 42.059 -0.291 0.000 0.901 66 L HN 0.212 nan 8.230 nan 0.000 0.433 67 A N -0.387 122.416 122.820 -0.030 0.000 1.940 67 A HA -0.291 4.037 4.320 0.015 0.000 0.219 67 A C 2.217 179.812 177.584 0.017 0.000 1.176 67 A CA 1.969 54.009 52.037 0.005 0.000 0.631 67 A CB -0.481 18.526 19.000 0.012 0.000 0.814 67 A HN 0.404 nan 8.150 nan 0.000 0.446 68 Q N -0.058 119.753 119.800 0.019 0.000 2.046 68 Q HA -0.031 4.318 4.340 0.015 0.000 0.200 68 Q C 1.865 177.891 176.000 0.044 0.000 0.975 68 Q CA 1.580 57.401 55.803 0.031 0.000 0.836 68 Q CB -0.489 28.272 28.738 0.038 0.000 0.896 68 Q HN 0.650 nan 8.270 nan 0.000 0.428 69 L N 0.017 121.271 121.223 0.052 0.000 2.079 69 L HA -0.193 4.156 4.340 0.015 0.000 0.210 69 L C 2.525 179.495 176.870 0.168 0.000 1.081 69 L CA 1.527 56.441 54.840 0.123 0.000 0.752 69 L CB -0.387 41.744 42.059 0.121 0.000 0.896 69 L HN 0.190 nan 8.230 nan 0.000 0.433 70 R N 0.425 121.009 120.500 0.141 0.000 2.148 70 R HA -0.166 4.183 4.340 0.015 0.000 0.227 70 R C 2.052 178.345 176.300 -0.012 0.000 1.103 70 R CA 1.413 57.570 56.100 0.094 0.000 0.983 70 R CB -0.221 30.140 30.300 0.100 0.000 0.874 70 R HN 0.410 nan 8.270 nan 0.000 0.451 71 E N -0.313 119.891 120.200 0.006 0.000 2.046 71 E HA -0.139 4.220 4.350 0.015 0.000 0.190 71 E C 0.743 177.329 176.600 -0.022 0.000 0.982 71 E CA 1.353 57.748 56.400 -0.009 0.000 0.800 71 E CB 0.035 29.738 29.700 0.004 0.000 0.756 71 E HN 0.353 nan 8.360 nan 0.000 0.449 72 D N 0.311 120.706 120.400 -0.008 0.000 2.224 72 D HA -0.100 4.549 4.640 0.015 0.000 0.205 72 D C 1.475 177.743 176.300 -0.053 0.000 0.965 72 D CA 0.799 54.792 54.000 -0.013 0.000 0.852 72 D CB 0.086 40.896 40.800 0.017 0.000 0.947 72 D HN 0.218 nan 8.370 nan 0.000 0.494 73 E N 0.033 120.163 120.200 -0.116 0.000 2.431 73 E HA 0.243 4.602 4.350 0.015 0.000 0.200 73 E C 1.320 177.740 176.600 -0.300 0.000 0.995 73 E CA 0.375 56.631 56.400 -0.238 0.000 0.915 73 E CB 0.988 30.444 29.700 -0.407 0.000 0.930 73 E HN 0.171 nan 8.360 nan 0.000 0.496 74 G N 2.816 111.468 108.800 -0.247 0.000 2.750 74 G HA2 -0.297 3.672 3.960 0.015 0.000 0.228 74 G HA3 -0.297 3.672 3.960 0.015 0.000 0.228 74 G C -0.490 174.208 174.900 -0.337 0.000 1.367 74 G CA -0.101 44.875 45.100 -0.206 0.000 0.871 74 G HN 0.275 nan 8.290 nan 0.000 0.560 75 E N -0.518 119.558 120.200 -0.207 0.000 2.558 75 E HA 0.354 4.713 4.350 0.015 0.000 0.255 75 E C -0.172 176.284 176.600 -0.241 0.000 0.968 75 E CA -0.007 56.298 56.400 -0.159 0.000 0.939 75 E CB 0.196 29.864 29.700 -0.052 0.000 0.921 75 E HN 0.404 nan 8.360 nan 0.000 0.477 76 F N 1.583 121.545 119.950 0.020 0.000 2.380 76 F HA 0.072 4.609 4.527 0.015 0.000 0.325 76 F C 1.884 177.723 175.800 0.064 0.000 1.136 76 F CA -0.224 57.802 58.000 0.044 0.000 1.171 76 F CB 0.677 39.695 39.000 0.030 0.000 1.230 76 F HN 0.646 nan 8.300 nan 0.000 0.554 77 H N 1.029 120.221 119.070 0.203 0.000 2.363 77 H HA 0.291 4.855 4.556 0.014 0.000 0.301 77 H C -0.118 175.302 175.328 0.153 0.000 1.074 77 H CA 1.288 57.415 56.048 0.132 0.000 1.354 77 H CB 0.305 30.122 29.762 0.092 0.000 1.397 77 H HN 0.562 nan 8.280 nan 0.000 0.516 78 A N 0.094 123.030 122.820 0.194 0.000 2.601 78 A HA 0.483 4.812 4.320 0.015 0.000 0.291 78 A C -1.462 176.193 177.584 0.119 0.000 1.075 78 A CA -0.508 51.617 52.037 0.147 0.000 0.671 78 A CB 1.398 20.546 19.000 0.248 0.000 1.277 78 A HN 0.017 nan 8.150 nan 0.000 0.417 79 V N 0.934 120.898 119.914 0.082 0.000 2.398 79 V HA 0.526 4.655 4.120 0.015 0.000 0.286 79 V C -0.499 175.639 176.094 0.074 0.000 1.026 79 V CA -0.497 61.806 62.300 0.005 0.000 0.868 79 V CB 1.340 33.140 31.823 -0.038 0.000 0.982 79 V HN 0.671 nan 8.190 nan 0.000 0.443 80 V N 3.932 123.873 119.914 0.045 0.000 2.313 80 V HA 0.376 4.505 4.120 0.015 0.000 0.278 80 V C 0.318 176.447 176.094 0.059 0.000 1.017 80 V CA -0.230 62.118 62.300 0.079 0.000 0.823 80 V CB 1.545 33.393 31.823 0.041 0.000 1.010 80 V HN 0.865 nan 8.190 nan 0.000 0.443 81 S N 4.969 120.723 115.700 0.091 0.000 2.475 81 S HA 0.560 5.039 4.470 0.015 0.000 0.281 81 S C 0.421 175.093 174.600 0.120 0.000 1.198 81 S CA -0.551 57.701 58.200 0.086 0.000 1.063 81 S CB 0.682 63.945 63.200 0.105 0.000 0.972 81 S HN 0.643 nan 8.310 nan 0.000 0.486 82 L N 5.772 127.036 121.223 0.068 0.000 2.818 82 L HA 0.275 4.624 4.340 0.015 0.000 0.243 82 L C 1.275 178.184 176.870 0.064 0.000 1.185 82 L CA -0.001 54.872 54.840 0.054 0.000 0.988 82 L CB -0.141 41.831 42.059 -0.145 0.000 1.292 82 L HN 0.646 nan 8.230 nan 0.000 0.519 83 L N 0.314 121.593 121.223 0.093 0.000 2.265 83 L HA -0.153 4.196 4.340 0.015 0.000 0.215 83 L C 2.793 179.749 176.870 0.142 0.000 1.117 83 L CA 1.008 55.904 54.840 0.092 0.000 0.782 83 L CB -0.590 41.527 42.059 0.097 0.000 0.914 83 L HN 0.385 nan 8.230 nan 0.000 0.441 84 A N 0.412 123.371 122.820 0.231 0.000 2.076 84 A HA -0.143 4.186 4.320 0.015 0.000 0.220 84 A C 2.518 180.280 177.584 0.296 0.000 1.160 84 A CA 1.509 53.706 52.037 0.267 0.000 0.653 84 A CB -0.512 18.683 19.000 0.324 0.000 0.801 84 A HN 0.403 nan 8.150 nan 0.000 0.455 85 A N -0.379 122.643 122.820 0.338 0.000 2.125 85 A HA 0.357 4.686 4.320 0.015 0.000 0.219 85 A C 1.507 179.143 177.584 0.087 0.000 1.156 85 A CA 0.984 53.184 52.037 0.273 0.000 0.671 85 A CB -0.731 18.293 19.000 0.039 0.000 0.794 85 A HN 1.100 nan 8.150 nan 0.000 0.459 86 A N 0.462 123.263 122.820 -0.030 0.000 2.797 86 A HA 0.386 4.715 4.320 0.015 0.000 0.296 86 A C 0.718 178.149 177.584 -0.256 0.000 1.580 86 A CA -0.208 51.595 52.037 -0.390 0.000 1.277 86 A CB -0.335 18.477 19.000 -0.313 0.000 1.101 86 A HN 0.543 nan 8.150 nan 0.000 0.562 87 E N 1.821 121.901 120.200 -0.200 0.000 2.400 87 E HA 0.112 4.471 4.350 0.015 0.000 0.195 87 E C 1.040 177.598 176.600 -0.070 0.000 1.012 87 E CA 0.307 56.669 56.400 -0.062 0.000 0.875 87 E CB 0.240 29.948 29.700 0.013 0.000 0.859 87 E HN 0.815 nan 8.360 nan 0.000 0.498 88 A N 1.580 124.325 122.820 -0.126 0.000 2.520 88 A HA 0.104 4.433 4.320 0.015 0.000 0.235 88 A C 0.247 177.826 177.584 -0.007 0.000 1.065 88 A CA -0.015 52.006 52.037 -0.026 0.000 0.764 88 A CB 0.060 19.090 19.000 0.050 0.000 1.002 88 A HN 0.165 nan 8.150 nan 0.000 0.502 89 L N 1.625 122.865 121.223 0.029 0.000 2.456 89 L HA 0.095 4.444 4.340 0.015 0.000 0.272 89 L C 0.936 177.863 176.870 0.095 0.000 1.189 89 L CA -0.127 54.749 54.840 0.060 0.000 0.846 89 L CB 0.264 42.354 42.059 0.053 0.000 1.111 89 L HN 0.878 nan 8.230 nan 0.000 0.475 90 H N 0.787 119.890 119.070 0.054 0.000 2.928 90 H HA -0.086 4.479 4.556 0.014 0.000 0.338 90 H C 1.197 176.552 175.328 0.044 0.000 1.047 90 H CA 0.582 56.676 56.048 0.078 0.000 1.435 90 H CB 1.159 31.008 29.762 0.144 0.000 1.428 90 H HN 0.682 nan 8.280 nan 0.000 0.590 91 T N 2.048 116.603 114.554 0.002 0.000 2.929 91 T HA -0.129 4.229 4.350 0.015 0.000 0.271 91 T C 0.905 175.673 174.700 0.113 0.000 1.085 91 T CA 1.864 63.998 62.100 0.057 0.000 1.125 91 T CB -0.056 68.795 68.868 -0.028 0.000 0.874 91 T HN 0.685 nan 8.240 nan 0.000 0.494 92 D N -0.402 120.166 120.400 0.279 0.000 2.407 92 D HA 0.113 4.762 4.640 0.015 0.000 0.208 92 D C -0.111 175.853 176.300 -0.559 0.000 1.083 92 D CA 0.189 54.078 54.000 -0.186 0.000 0.844 92 D CB 0.269 40.858 40.800 -0.350 0.000 0.967 92 D HN 0.500 nan 8.370 nan 0.000 0.506 93 H N -0.338 118.775 119.070 0.072 0.000 2.974 93 H HA 0.297 4.862 4.556 0.015 0.000 0.285 93 H C 1.055 176.402 175.328 0.031 0.000 1.227 93 H CA -0.345 55.680 56.048 -0.038 0.000 1.569 93 H CB 1.181 30.821 29.762 -0.204 0.000 1.648 93 H HN -0.051 nan 8.280 nan 0.000 0.521 94 G N 1.012 109.864 108.800 0.087 0.000 2.744 94 G HA2 -0.114 3.855 3.960 0.015 0.000 0.211 94 G HA3 -0.114 3.855 3.960 0.015 0.000 0.211 94 G C 0.889 175.813 174.900 0.041 0.000 1.143 94 G CA 0.178 45.318 45.100 0.067 0.000 0.788 94 G HN 0.355 nan 8.290 nan 0.000 0.534 95 S N -0.619 115.100 115.700 0.033 0.000 2.539 95 S HA 0.259 4.738 4.470 0.015 0.000 0.221 95 S C 0.173 174.756 174.600 -0.028 0.000 0.987 95 S CA -0.268 57.918 58.200 -0.024 0.000 0.929 95 S CB 0.987 64.166 63.200 -0.035 0.000 0.832 95 S HN 0.038 nan 8.310 nan 0.000 0.492 96 V N 4.112 124.044 119.914 0.030 0.000 2.334 96 V HA 0.346 4.475 4.120 0.015 0.000 0.281 96 V C -2.674 173.463 176.094 0.071 0.000 1.016 96 V CA -2.414 59.906 62.300 0.033 0.000 0.832 96 V CB 1.033 32.873 31.823 0.029 0.000 0.999 96 V HN 0.036 nan 8.190 nan 0.000 0.439 97 P HA -0.007 nan 4.420 nan 0.000 0.264 97 P C 0.754 178.104 177.300 0.083 0.000 1.183 97 P CA -0.066 63.059 63.100 0.041 0.000 0.763 97 P CB 0.716 32.432 31.700 0.027 0.000 0.807 98 L N 4.462 125.724 121.223 0.064 0.000 2.083 98 L HA -0.069 4.280 4.340 0.015 0.000 0.209 98 L C 2.147 179.081 176.870 0.107 0.000 1.083 98 L CA 2.503 57.404 54.840 0.101 0.000 0.752 98 L CB -1.484 40.577 42.059 0.004 0.000 0.899 98 L HN 0.510 nan 8.230 nan 0.000 0.433 99 G N -0.852 107.978 108.800 0.051 0.000 2.443 99 G HA2 -0.227 3.742 3.960 0.015 0.000 0.219 99 G HA3 -0.227 3.742 3.960 0.015 0.000 0.219 99 G C 1.537 176.512 174.900 0.125 0.000 1.131 99 G CA 0.796 45.949 45.100 0.089 0.000 0.775 99 G HN 0.413 nan 8.290 nan 0.000 0.547 100 L N 1.154 122.443 121.223 0.109 0.000 2.044 100 L HA 0.262 4.611 4.340 0.015 0.000 0.205 100 L C 3.051 179.983 176.870 0.105 0.000 1.075 100 L CA 2.018 56.920 54.840 0.104 0.000 0.747 100 L CB -0.628 41.478 42.059 0.079 0.000 0.903 100 L HN 0.190 nan 8.230 nan 0.000 0.435 101 A N -0.999 121.890 122.820 0.114 0.000 1.883 101 A HA -0.273 4.055 4.320 0.015 0.000 0.217 101 A C 2.202 179.885 177.584 0.165 0.000 1.186 101 A CA 1.999 54.100 52.037 0.107 0.000 0.624 101 A CB -0.650 18.455 19.000 0.175 0.000 0.822 101 A HN 0.662 nan 8.150 nan 0.000 0.444 102 Q N -1.117 118.833 119.800 0.250 0.000 2.224 102 Q HA -0.095 4.254 4.340 0.015 0.000 0.203 102 Q C 2.091 178.309 176.000 0.363 0.000 0.970 102 Q CA 1.630 57.682 55.803 0.416 0.000 0.865 102 Q CB -0.279 28.701 28.738 0.403 0.000 0.922 102 Q HN 0.690 nan 8.270 nan 0.000 0.445 103 T N 1.543 116.235 114.554 0.231 0.000 2.737 103 T HA -0.130 4.229 4.350 0.015 0.000 0.265 103 T C 1.782 176.589 174.700 0.177 0.000 1.038 103 T CA 0.875 63.093 62.100 0.197 0.000 1.144 103 T CB -0.246 68.720 68.868 0.162 0.000 0.866 103 T HN 0.149 nan 8.240 nan 0.000 0.434 104 L N 0.900 122.202 121.223 0.131 0.000 1.990 104 L HA -0.073 4.275 4.340 0.015 0.000 0.213 104 L C 2.025 178.953 176.870 0.096 0.000 1.072 104 L CA 1.736 56.623 54.840 0.079 0.000 0.755 104 L CB -0.702 41.377 42.059 0.032 0.000 0.889 104 L HN 0.121 nan 8.230 nan 0.000 0.432 105 L N -1.167 120.132 121.223 0.127 0.000 2.201 105 L HA -0.131 4.218 4.340 0.015 0.000 0.212 105 L C 2.238 179.291 176.870 0.304 0.000 1.105 105 L CA 1.265 56.159 54.840 0.090 0.000 0.775 105 L CB -1.021 40.933 42.059 -0.175 0.000 0.913 105 L HN 0.359 nan 8.230 nan 0.000 0.440 106 L N -0.306 121.199 121.223 0.470 0.000 2.027 106 L HA -0.106 4.243 4.340 0.015 0.000 0.206 106 L C 2.541 179.525 176.870 0.190 0.000 1.074 106 L CA 2.012 57.083 54.840 0.385 0.000 0.745 106 L CB -0.971 41.252 42.059 0.274 0.000 0.898 106 L HN 0.174 nan 8.230 nan 0.000 0.433 107 A N -1.026 121.877 122.820 0.138 0.000 1.908 107 A HA -0.283 4.046 4.320 0.015 0.000 0.218 107 A C 2.184 179.753 177.584 -0.025 0.000 1.181 107 A CA 2.005 54.071 52.037 0.049 0.000 0.627 107 A CB -0.634 18.389 19.000 0.039 0.000 0.818 107 A HN 0.680 nan 8.150 nan 0.000 0.445 108 Q N -0.803 119.003 119.800 0.009 0.000 2.020 108 Q HA -0.099 4.250 4.340 0.015 0.000 0.202 108 Q C 2.434 178.435 176.000 0.001 0.000 0.982 108 Q CA 1.551 57.343 55.803 -0.019 0.000 0.838 108 Q CB -0.373 28.361 28.738 -0.007 0.000 0.899 108 Q HN 0.680 nan 8.270 nan 0.000 0.423 109 A N 0.577 123.440 122.820 0.072 0.000 1.968 109 A HA -0.089 4.240 4.320 0.015 0.000 0.217 109 A C 2.062 179.672 177.584 0.043 0.000 1.169 109 A CA 0.754 52.846 52.037 0.091 0.000 0.638 109 A CB -0.522 18.619 19.000 0.236 0.000 0.812 109 A HN 0.253 nan 8.150 nan 0.000 0.446 110 L N -0.598 120.641 121.223 0.026 0.000 2.012 110 L HA -0.157 4.192 4.340 0.015 0.000 0.210 110 L C 2.870 179.721 176.870 -0.031 0.000 1.073 110 L CA 1.263 56.095 54.840 -0.013 0.000 0.748 110 L CB -0.881 41.171 42.059 -0.012 0.000 0.891 110 L HN 0.479 nan 8.230 nan 0.000 0.431 111 G N -0.361 108.398 108.800 -0.068 0.000 2.446 111 G HA2 -0.283 3.686 3.960 0.015 0.000 0.217 111 G HA3 -0.283 3.686 3.960 0.015 0.000 0.217 111 G C 1.139 176.018 174.900 -0.035 0.000 1.168 111 G CA 1.042 46.090 45.100 -0.086 0.000 0.771 111 G HN 0.306 nan 8.290 nan 0.000 0.551 112 D N 0.992 121.380 120.400 -0.021 0.000 2.123 112 D HA -0.044 4.604 4.640 0.015 0.000 0.196 112 D C 2.704 179.005 176.300 0.002 0.000 0.992 112 D CA 1.352 55.350 54.000 -0.004 0.000 0.833 112 D CB -0.414 40.390 40.800 0.005 0.000 0.954 112 D HN 0.338 nan 8.370 nan 0.000 0.455 113 A N -0.377 122.444 122.820 0.002 0.000 2.169 113 A HA 0.359 4.688 4.320 0.015 0.000 0.212 113 A C 1.759 179.347 177.584 0.006 0.000 1.153 113 A CA 1.190 53.229 52.037 0.004 0.000 0.756 113 A CB -0.244 18.753 19.000 -0.005 0.000 0.813 113 A HN 0.276 nan 8.150 nan 0.000 0.471 114 G N -1.410 107.392 108.800 0.003 0.000 2.160 114 G HA2 -0.186 3.783 3.960 0.015 0.000 0.244 114 G HA3 -0.186 3.783 3.960 0.015 0.000 0.244 114 G C -0.153 174.759 174.900 0.019 0.000 1.022 114 G CA 0.227 45.333 45.100 0.009 0.000 0.741 114 G HN 0.375 nan 8.290 nan 0.000 0.508 115 L N 1.212 122.448 121.223 0.022 0.000 2.361 115 L HA 0.502 4.850 4.340 0.015 0.000 0.278 115 L C 1.813 178.706 176.870 0.037 0.000 1.113 115 L CA 1.137 56.007 54.840 0.050 0.000 0.849 115 L CB 1.405 43.494 42.059 0.050 0.000 1.155 115 L HN 0.368 nan 8.230 nan 0.000 0.452 116 T N -0.698 113.884 114.554 0.046 0.000 3.023 116 T HA 0.373 4.732 4.350 0.015 0.000 0.253 116 T C 0.751 175.468 174.700 0.029 0.000 1.038 116 T CA 0.103 62.221 62.100 0.030 0.000 0.962 116 T CB 0.216 69.097 68.868 0.023 0.000 1.018 116 T HN 0.514 nan 8.240 nan 0.000 0.521 117 A N 3.107 125.960 122.820 0.054 0.000 2.498 117 A HA 0.503 4.832 4.320 0.015 0.000 0.239 117 A C -2.392 175.194 177.584 0.002 0.000 1.068 117 A CA -1.167 50.895 52.037 0.042 0.000 0.766 117 A CB -0.324 18.750 19.000 0.123 0.000 1.003 117 A HN 0.243 nan 8.150 nan 0.000 0.497 118 P HA 0.163 nan 4.420 nan 0.000 0.265 118 P C -0.573 176.649 177.300 -0.131 0.000 1.193 118 P CA -0.076 62.949 63.100 -0.124 0.000 0.765 118 P CB 0.392 31.985 31.700 -0.179 0.000 0.823 119 L N 5.146 126.230 121.223 -0.231 0.000 2.276 119 L HA 0.461 4.810 4.340 0.015 0.000 0.286 119 L C -1.404 175.084 176.870 -0.637 0.000 1.061 119 L CA -0.228 54.485 54.840 -0.211 0.000 0.807 119 L CB -0.006 42.058 42.059 0.009 0.000 1.177 119 L HN 0.306 nan 8.230 nan 0.000 0.429 120 W N 4.902 125.999 121.300 -0.339 0.000 2.417 120 W HA 0.517 5.185 4.660 0.012 0.000 0.315 120 W C -0.667 175.708 176.519 -0.240 0.000 1.045 120 W CA -0.378 56.728 57.345 -0.397 0.000 1.221 120 W CB 1.656 30.972 29.460 -0.239 0.000 1.309 120 W HN 0.455 nan 8.180 nan 0.000 0.453 121 C N 5.308 124.583 119.300 -0.041 0.000 2.255 121 C HA 0.549 5.018 4.460 0.015 0.000 0.326 121 C C 0.350 175.387 174.990 0.079 0.000 1.258 121 C CA -0.771 58.287 59.018 0.066 0.000 1.676 121 C CB -0.869 26.928 27.740 0.094 0.000 2.314 121 C HN 0.449 nan 8.230 nan 0.000 0.509 122 L N 3.997 125.325 121.223 0.175 0.000 2.325 122 L HA 0.682 5.031 4.340 0.015 0.000 0.279 122 L C 0.675 177.657 176.870 0.187 0.000 1.054 122 L CA 0.166 55.128 54.840 0.202 0.000 0.804 122 L CB 1.690 43.957 42.059 0.346 0.000 1.200 122 L HN 0.791 nan 8.230 nan 0.000 0.436 123 T N -0.590 113.979 114.554 0.024 0.000 2.887 123 T HA 0.574 4.933 4.350 0.015 0.000 0.292 123 T C -0.531 173.804 174.700 -0.608 0.000 1.087 123 T CA -0.999 61.017 62.100 -0.139 0.000 1.009 123 T CB 2.554 71.575 68.868 0.254 0.000 1.203 123 T HN 0.428 nan 8.240 nan 0.000 0.518 124 R N 0.105 120.150 120.500 -0.758 0.000 2.507 124 R HA 0.507 4.856 4.340 0.015 0.000 0.298 124 R C 0.589 176.662 176.300 -0.379 0.000 1.087 124 R CA 0.317 55.952 56.100 -0.776 0.000 0.917 124 R CB 0.704 30.058 30.300 -1.575 0.000 1.173 124 R HN 1.449 nan 8.270 nan 0.000 0.472 125 G N 2.055 110.696 108.800 -0.265 0.000 2.137 125 G HA2 -0.252 3.717 3.960 0.015 0.000 0.237 125 G HA3 -0.252 3.717 3.960 0.015 0.000 0.237 125 G C 0.621 175.419 174.900 -0.171 0.000 1.002 125 G CA 0.266 45.252 45.100 -0.190 0.000 0.702 125 G HN 0.730 nan 8.290 nan 0.000 0.515 126 G N -1.096 107.605 108.800 -0.165 0.000 2.939 126 G HA2 0.518 4.487 3.960 0.015 0.000 0.210 126 G HA3 0.518 4.487 3.960 0.015 0.000 0.210 126 G C 0.740 175.403 174.900 -0.396 0.000 1.160 126 G CA 1.464 46.468 45.100 -0.160 0.000 0.770 126 G HN 1.755 nan 8.290 nan 0.000 0.543 127 V N -3.807 115.814 119.914 -0.488 0.000 3.040 127 V HA 0.887 5.016 4.120 0.015 0.000 0.312 127 V C -0.686 175.128 176.094 -0.467 0.000 1.115 127 V CA -1.289 60.670 62.300 -0.569 0.000 0.998 127 V CB 1.721 33.016 31.823 -0.881 0.000 1.042 127 V HN 0.297 nan 8.190 nan 0.000 0.433 128 A N 1.979 124.558 122.820 -0.402 0.000 2.316 128 A HA 0.933 5.262 4.320 0.015 0.000 0.324 128 A C 0.116 177.346 177.584 -0.590 0.000 1.375 128 A CA 0.043 51.862 52.037 -0.364 0.000 0.882 128 A CB 0.075 18.971 19.000 -0.172 0.000 1.152 128 A HN 2.178 nan 8.150 nan 0.000 0.512 129 A N 2.278 124.611 122.820 -0.811 0.000 2.332 129 A HA 0.875 5.204 4.320 0.015 0.000 0.300 129 A C 0.347 177.652 177.584 -0.465 0.000 1.153 129 A CA 0.061 51.426 52.037 -1.120 0.000 0.764 129 A CB 0.458 18.436 19.000 -1.705 0.000 1.174 129 A HN 2.700 nan 8.150 nan 0.000 0.467 130 G N 1.923 110.587 108.800 -0.227 0.000 2.650 130 G HA2 0.140 4.109 3.960 0.015 0.000 0.686 130 G HA3 0.140 4.109 3.960 0.015 0.000 0.686 130 G C -0.227 174.632 174.900 -0.069 0.000 1.205 130 G CA -0.448 44.597 45.100 -0.091 0.000 0.781 130 G HN 1.797 nan 8.290 nan 0.000 0.648 131 R N 0.794 121.278 120.500 -0.027 0.000 2.522 131 R HA 0.457 4.806 4.340 0.015 0.000 0.284 131 R C 1.309 177.586 176.300 -0.039 0.000 1.032 131 R CA 0.903 56.990 56.100 -0.020 0.000 1.049 131 R CB 0.501 30.799 30.300 -0.004 0.000 0.956 131 R HN 2.646 nan 8.270 nan 0.000 0.422 132 G N 2.061 110.836 108.800 -0.041 0.000 2.205 132 G HA2 -0.324 3.645 3.960 0.015 0.000 0.261 132 G HA3 -0.324 3.645 3.960 0.015 0.000 0.261 132 G C -0.120 174.738 174.900 -0.071 0.000 0.980 132 G CA 0.441 45.511 45.100 -0.049 0.000 0.632 132 G HN 0.824 nan 8.290 nan 0.000 0.533 133 D N 0.064 120.406 120.400 -0.098 0.000 2.372 133 D HA 0.451 5.100 4.640 0.015 0.000 0.243 133 D C 0.452 176.679 176.300 -0.123 0.000 1.121 133 D CA -0.009 53.914 54.000 -0.129 0.000 0.898 133 D CB 1.243 41.923 40.800 -0.200 0.000 1.202 133 D HN 0.190 nan 8.370 nan 0.000 0.428 134 V N 4.819 124.664 119.914 -0.114 0.000 2.370 134 V HA 0.189 4.318 4.120 0.015 0.000 0.283 134 V C 0.226 176.261 176.094 -0.098 0.000 1.023 134 V CA -0.825 61.419 62.300 -0.094 0.000 0.857 134 V CB 1.359 33.141 31.823 -0.069 0.000 0.985 134 V HN 0.512 nan 8.190 nan 0.000 0.443 135 L N 5.417 126.590 121.223 -0.083 0.000 2.385 135 L HA 0.184 4.533 4.340 0.015 0.000 0.285 135 L C 1.513 178.419 176.870 0.060 0.000 1.125 135 L CA 0.036 54.834 54.840 -0.071 0.000 0.890 135 L CB 1.046 43.046 42.059 -0.098 0.000 1.251 135 L HN 0.898 nan 8.230 nan 0.000 0.445 136 S N 0.764 116.469 115.700 0.009 0.000 2.478 136 S HA 0.009 4.488 4.470 0.015 0.000 0.222 136 S C 0.872 175.417 174.600 -0.093 0.000 1.008 136 S CA 0.111 58.344 58.200 0.056 0.000 0.928 136 S CB 0.207 63.411 63.200 0.007 0.000 0.781 136 S HN 0.537 nan 8.310 nan 0.000 0.518 137 S N 2.386 118.011 115.700 -0.124 0.000 2.542 137 S HA 0.500 4.979 4.470 0.015 0.000 0.245 137 S C -2.366 172.159 174.600 -0.125 0.000 1.325 137 S CA -1.566 56.556 58.200 -0.130 0.000 1.176 137 S CB 1.185 64.357 63.200 -0.046 0.000 1.045 137 S HN 0.026 nan 8.310 nan 0.000 0.481 138 P HA -0.061 nan 4.420 nan 0.000 0.220 138 P C 1.561 178.907 177.300 0.076 0.000 1.148 138 P CA 0.606 63.598 63.100 -0.181 0.000 0.803 138 P CB 0.104 31.549 31.700 -0.425 0.000 0.782 139 V N 0.169 120.188 119.914 0.174 0.000 2.343 139 V HA -0.263 3.866 4.120 0.015 0.000 0.247 139 V C 2.514 178.716 176.094 0.179 0.000 1.051 139 V CA 1.866 64.301 62.300 0.225 0.000 1.036 139 V CB -1.198 30.696 31.823 0.118 0.000 0.654 139 V HN 0.200 nan 8.190 nan 0.000 0.451 140 Q N -0.295 119.585 119.800 0.133 0.000 2.230 140 Q HA -0.068 4.281 4.340 0.015 0.000 0.202 140 Q C 2.311 178.463 176.000 0.253 0.000 0.963 140 Q CA 1.196 57.106 55.803 0.179 0.000 0.866 140 Q CB -0.396 28.427 28.738 0.141 0.000 0.931 140 Q HN 0.723 nan 8.270 nan 0.000 0.452 141 G N 0.882 109.774 108.800 0.153 0.000 2.448 141 G HA2 -0.202 3.767 3.960 0.015 0.000 0.219 141 G HA3 -0.202 3.767 3.960 0.015 0.000 0.219 141 G C 1.453 176.496 174.900 0.238 0.000 1.127 141 G CA 0.742 45.919 45.100 0.128 0.000 0.766 141 G HN 0.398 nan 8.290 nan 0.000 0.552 142 A N 0.383 123.351 122.820 0.247 0.000 1.972 142 A HA 0.074 4.403 4.320 0.015 0.000 0.219 142 A C 2.287 180.010 177.584 0.230 0.000 1.169 142 A CA 1.320 53.498 52.037 0.234 0.000 0.635 142 A CB -0.322 18.806 19.000 0.213 0.000 0.810 142 A HN 0.371 nan 8.150 nan 0.000 0.446 143 L N -1.728 119.656 121.223 0.267 0.000 2.127 143 L HA -0.163 4.186 4.340 0.015 0.000 0.211 143 L C 2.156 179.153 176.870 0.213 0.000 1.089 143 L CA 1.624 56.598 54.840 0.224 0.000 0.757 143 L CB -0.376 41.811 42.059 0.213 0.000 0.899 143 L HN 0.622 nan 8.230 nan 0.000 0.434 144 W N -0.606 120.770 121.300 0.127 0.000 2.363 144 W HA -0.020 4.657 4.660 0.028 0.000 0.296 144 W C 2.498 179.072 176.519 0.092 0.000 1.212 144 W CA 1.181 58.611 57.345 0.142 0.000 1.260 144 W CB -1.309 28.243 29.460 0.154 0.000 1.131 144 W HN 0.192 nan 8.180 nan 0.000 0.530 145 G N 0.370 109.330 108.800 0.266 0.000 2.421 145 G HA2 -0.255 3.714 3.960 0.015 0.000 0.216 145 G HA3 -0.255 3.714 3.960 0.015 0.000 0.216 145 G C 1.485 176.417 174.900 0.053 0.000 1.171 145 G CA 1.150 46.326 45.100 0.128 0.000 0.775 145 G HN 0.219 nan 8.290 nan 0.000 0.543 146 L N 1.613 122.862 121.223 0.044 0.000 2.017 146 L HA 0.128 4.477 4.340 0.015 0.000 0.208 146 L C 2.778 179.559 176.870 -0.148 0.000 1.073 146 L CA 2.527 57.352 54.840 -0.027 0.000 0.745 146 L CB -1.054 41.009 42.059 0.007 0.000 0.894 146 L HN 0.160 nan 8.230 nan 0.000 0.432 147 G N -0.819 107.901 108.800 -0.133 0.000 2.440 147 G HA2 -0.273 3.696 3.960 0.015 0.000 0.218 147 G HA3 -0.273 3.696 3.960 0.015 0.000 0.218 147 G C 1.755 176.298 174.900 -0.595 0.000 1.154 147 G CA 0.825 45.694 45.100 -0.385 0.000 0.767 147 G HN 0.414 nan 8.290 nan 0.000 0.552 148 R N -0.371 120.020 120.500 -0.181 0.000 2.096 148 R HA -0.019 4.330 4.340 0.015 0.000 0.235 148 R C 2.619 178.771 176.300 -0.246 0.000 1.127 148 R CA 1.084 57.109 56.100 -0.125 0.000 0.968 148 R CB -0.367 29.986 30.300 0.089 0.000 0.861 148 R HN 0.328 nan 8.270 nan 0.000 0.440 149 V N 1.151 120.931 119.914 -0.223 0.000 2.453 149 V HA -0.179 3.950 4.120 0.015 0.000 0.247 149 V C 2.160 178.056 176.094 -0.330 0.000 1.048 149 V CA 1.431 63.611 62.300 -0.200 0.000 1.049 149 V CB -0.326 31.432 31.823 -0.109 0.000 0.672 149 V HN 0.268 nan 8.190 nan 0.000 0.457 150 I N 1.150 121.417 120.570 -0.505 0.000 2.264 150 I HA -0.210 3.968 4.170 0.015 0.000 0.248 150 I C 2.541 178.226 176.117 -0.720 0.000 1.111 150 I CA 1.822 62.770 61.300 -0.586 0.000 1.382 150 I CB -0.892 36.613 38.000 -0.825 0.000 1.060 150 I HN 0.419 nan 8.210 nan 0.000 0.418 151 G N 0.776 108.921 108.800 -1.092 0.000 2.443 151 G HA2 -0.120 3.849 3.960 0.015 0.000 0.219 151 G HA3 -0.120 3.849 3.960 0.015 0.000 0.219 151 G C 1.684 176.387 174.900 -0.329 0.000 1.131 151 G CA 0.337 45.011 45.100 -0.709 0.000 0.775 151 G HN 0.292 nan 8.290 nan 0.000 0.547 152 L N -0.440 120.583 121.223 -0.333 0.000 2.270 152 L HA 0.148 4.497 4.340 0.015 0.000 0.210 152 L C 2.648 179.357 176.870 -0.269 0.000 1.104 152 L CA 0.705 55.371 54.840 -0.290 0.000 0.804 152 L CB -0.069 41.837 42.059 -0.255 0.000 0.937 152 L HN 0.223 nan 8.230 nan 0.000 0.450 153 E N -1.266 118.750 120.200 -0.305 0.000 2.216 153 E HA 0.030 4.389 4.350 0.015 0.000 0.192 153 E C 0.257 176.452 176.600 -0.675 0.000 0.973 153 E CA 0.420 56.556 56.400 -0.441 0.000 0.851 153 E CB 0.474 29.907 29.700 -0.445 0.000 0.804 153 E HN 0.474 nan 8.360 nan 0.000 0.477 154 H N 0.087 119.083 119.070 -0.122 0.000 2.535 154 H HA 0.149 4.714 4.556 0.015 0.000 0.232 154 H C -1.905 173.408 175.328 -0.025 0.000 1.405 154 H CA -1.451 54.560 56.048 -0.061 0.000 1.224 154 H CB 0.777 30.515 29.762 -0.039 0.000 1.763 154 H HN 0.122 nan 8.280 nan 0.000 0.529 155 P HA -0.132 nan 4.420 nan 0.000 0.218 155 P C 0.845 178.183 177.300 0.064 0.000 1.149 155 P CA 1.063 64.178 63.100 0.026 0.000 0.817 155 P CB 0.576 32.248 31.700 -0.047 0.000 0.785 156 D N 0.061 120.493 120.400 0.053 0.000 2.277 156 D HA -0.073 4.576 4.640 0.015 0.000 0.208 156 D C 1.701 178.028 176.300 0.044 0.000 0.962 156 D CA 0.763 54.786 54.000 0.039 0.000 0.865 156 D CB -0.034 40.783 40.800 0.028 0.000 0.939 156 D HN 0.472 nan 8.370 nan 0.000 0.510 157 R N -0.651 119.899 120.500 0.083 0.000 2.577 157 R HA 0.130 4.478 4.340 0.015 0.000 0.344 157 R C 0.124 176.485 176.300 0.101 0.000 1.037 157 R CA -0.520 55.618 56.100 0.063 0.000 1.102 157 R CB -0.220 30.110 30.300 0.050 0.000 1.313 157 R HN 0.021 nan 8.270 nan 0.000 0.561 158 W N 1.221 122.436 121.300 -0.141 0.000 2.429 158 W HA 0.408 5.076 4.660 0.012 0.000 0.314 158 W C -0.344 175.928 176.519 -0.412 0.000 1.062 158 W CA -0.519 56.682 57.345 -0.239 0.000 1.211 158 W CB 1.886 31.235 29.460 -0.185 0.000 1.305 158 W HN 0.194 nan 8.180 nan 0.000 0.476 159 G N 3.006 110.972 108.800 -1.389 0.000 2.557 159 G HA2 0.398 4.367 3.960 0.015 0.000 0.213 159 G HA3 0.398 4.367 3.960 0.015 0.000 0.213 159 G C 0.299 173.590 174.900 -2.682 0.000 1.221 159 G CA 0.878 44.718 45.100 -2.100 0.000 0.832 159 G HN 0.829 nan 8.290 nan 0.000 0.556 160 G N -1.616 105.413 108.800 -2.952 0.000 2.345 160 G HA2 0.380 4.349 3.960 0.015 0.000 0.285 160 G HA3 0.380 4.349 3.960 0.015 0.000 0.285 160 G C -1.995 172.414 174.900 -0.819 0.000 1.297 160 G CA -0.857 43.248 45.100 -1.658 0.000 0.875 160 G HN 0.449 nan 8.290 nan 0.000 0.506 161 L N 0.160 121.224 121.223 -0.265 0.000 2.362 161 L HA 0.782 5.131 4.340 0.015 0.000 0.271 161 L C -0.497 176.349 176.870 -0.039 0.000 1.002 161 L CA -0.805 53.816 54.840 -0.366 0.000 0.818 161 L CB 2.097 43.438 42.059 -1.196 0.000 1.298 161 L HN 0.462 nan 8.230 nan 0.000 0.420 162 I N 1.548 122.172 120.570 0.089 0.000 2.512 162 I HA 0.245 4.424 4.170 0.015 0.000 0.287 162 I C -1.136 175.164 176.117 0.306 0.000 1.069 162 I CA -0.456 60.999 61.300 0.257 0.000 1.056 162 I CB 2.236 40.315 38.000 0.133 0.000 1.229 162 I HN 0.503 nan 8.210 nan 0.000 0.429 163 D N 6.150 126.806 120.400 0.426 0.000 2.225 163 D HA 0.530 5.179 4.640 0.015 0.000 0.248 163 D C -0.740 175.565 176.300 0.007 0.000 1.096 163 D CA -0.089 54.028 54.000 0.195 0.000 0.863 163 D CB 1.208 42.071 40.800 0.104 0.000 1.156 163 D HN 0.313 nan 8.370 nan 0.000 0.450 164 L N 5.070 126.225 121.223 -0.113 0.000 2.379 164 L HA 0.523 4.872 4.340 0.015 0.000 0.269 164 L C -1.787 174.998 176.870 -0.143 0.000 1.084 164 L CA -1.801 52.974 54.840 -0.109 0.000 0.802 164 L CB 1.456 43.446 42.059 -0.115 0.000 1.175 164 L HN 0.413 nan 8.230 nan 0.000 0.448 165 P HA 0.064 nan 4.420 nan 0.000 0.277 165 P C -0.192 177.068 177.300 -0.065 0.000 1.271 165 P CA -0.377 62.673 63.100 -0.082 0.000 0.795 165 P CB 0.499 32.169 31.700 -0.051 0.000 1.101 166 E N -0.940 119.228 120.200 -0.052 0.000 2.204 166 E HA -0.074 4.285 4.350 0.015 0.000 0.194 166 E C 0.319 176.932 176.600 0.021 0.000 0.989 166 E CA 1.173 57.564 56.400 -0.016 0.000 0.824 166 E CB -0.842 28.852 29.700 -0.011 0.000 0.756 166 E HN 0.372 nan 8.360 nan 0.000 0.477 167 T N 0.904 115.465 114.554 0.012 0.000 2.809 167 T HA 0.387 4.746 4.350 0.015 0.000 0.284 167 T C -0.904 173.814 174.700 0.030 0.000 0.992 167 T CA -0.718 61.400 62.100 0.030 0.000 0.957 167 T CB 1.407 70.290 68.868 0.024 0.000 0.942 167 T HN -0.089 nan 8.240 nan 0.000 0.439 168 V N 7.286 127.233 119.914 0.055 0.000 2.267 168 V HA 0.238 4.367 4.120 0.015 0.000 0.254 168 V C 0.561 176.675 176.094 0.034 0.000 1.144 168 V CA -0.813 61.518 62.300 0.051 0.000 0.992 168 V CB -0.485 31.391 31.823 0.088 0.000 1.199 168 V HN 0.945 nan 8.190 nan 0.000 0.493 169 D N 2.199 122.611 120.400 0.020 0.000 2.414 169 D HA 0.023 4.672 4.640 0.015 0.000 0.251 169 D C 1.426 177.731 176.300 0.009 0.000 1.252 169 D CA -0.132 53.876 54.000 0.012 0.000 0.999 169 D CB 0.767 41.571 40.800 0.007 0.000 1.093 169 D HN 0.196 nan 8.370 nan 0.000 0.515 170 T N -1.811 112.745 114.554 0.005 0.000 2.951 170 T HA -0.129 4.230 4.350 0.015 0.000 0.268 170 T C 1.766 176.465 174.700 -0.002 0.000 1.073 170 T CA 1.454 63.554 62.100 0.001 0.000 1.134 170 T CB -0.277 68.590 68.868 -0.001 0.000 0.884 170 T HN 0.440 nan 8.240 nan 0.000 0.479 171 R N 0.398 120.897 120.500 -0.001 0.000 2.075 171 R HA 0.180 4.529 4.340 0.015 0.000 0.232 171 R C 2.507 178.805 176.300 -0.004 0.000 1.126 171 R CA 1.533 57.631 56.100 -0.003 0.000 0.963 171 R CB -0.687 29.612 30.300 -0.002 0.000 0.858 171 R HN 0.365 nan 8.270 nan 0.000 0.435 172 A N 0.514 123.333 122.820 -0.001 0.000 1.898 172 A HA -0.033 4.296 4.320 0.015 0.000 0.216 172 A C 2.381 179.964 177.584 -0.001 0.000 1.181 172 A CA 1.557 53.594 52.037 -0.000 0.000 0.620 172 A CB -0.996 18.007 19.000 0.006 0.000 0.819 172 A HN 0.512 nan 8.150 nan 0.000 0.442 173 A N -0.075 122.746 122.820 0.002 0.000 1.908 173 A HA 0.103 4.432 4.320 0.015 0.000 0.218 173 A C 2.484 180.058 177.584 -0.018 0.000 1.181 173 A CA 2.253 54.289 52.037 -0.003 0.000 0.627 173 A CB -0.968 18.033 19.000 0.001 0.000 0.818 173 A HN 1.062 nan 8.150 nan 0.000 0.445 174 A N -0.478 122.331 122.820 -0.017 0.000 1.929 174 A HA -0.093 4.236 4.320 0.015 0.000 0.216 174 A C 2.201 179.766 177.584 -0.032 0.000 1.176 174 A CA 1.360 53.383 52.037 -0.024 0.000 0.628 174 A CB -0.414 18.575 19.000 -0.018 0.000 0.816 174 A HN 0.545 nan 8.150 nan 0.000 0.444 175 R N -1.008 119.476 120.500 -0.025 0.000 2.083 175 R HA -0.153 4.196 4.340 0.015 0.000 0.237 175 R C 2.124 178.390 176.300 -0.057 0.000 1.137 175 R CA 1.568 57.650 56.100 -0.030 0.000 0.951 175 R CB -0.612 29.679 30.300 -0.015 0.000 0.851 175 R HN 0.503 nan 8.270 nan 0.000 0.434 176 L N 0.842 122.030 121.223 -0.059 0.000 1.976 176 L HA -0.188 4.161 4.340 0.015 0.000 0.209 176 L C 2.378 179.164 176.870 -0.140 0.000 1.071 176 L CA 2.536 57.317 54.840 -0.098 0.000 0.746 176 L CB -1.019 41.007 42.059 -0.056 0.000 0.890 176 L HN 0.343 nan 8.230 nan 0.000 0.432 177 T N -3.471 111.024 114.554 -0.099 0.000 2.867 177 T HA -0.053 4.305 4.350 0.015 0.000 0.268 177 T C 1.973 176.606 174.700 -0.111 0.000 1.057 177 T CA 0.859 62.895 62.100 -0.106 0.000 1.136 177 T CB -1.494 67.330 68.868 -0.073 0.000 0.874 177 T HN 0.421 nan 8.240 nan 0.000 0.466 178 G N 1.752 110.499 108.800 -0.088 0.000 2.421 178 G HA2 -0.067 3.902 3.960 0.015 0.000 0.216 178 G HA3 -0.067 3.902 3.960 0.015 0.000 0.216 178 G C 1.531 176.375 174.900 -0.093 0.000 1.171 178 G CA 0.783 45.840 45.100 -0.073 0.000 0.775 178 G HN 0.521 nan 8.290 nan 0.000 0.543 179 L N -0.065 121.074 121.223 -0.139 0.000 2.083 179 L HA -0.018 4.331 4.340 0.015 0.000 0.209 179 L C 2.886 179.568 176.870 -0.313 0.000 1.083 179 L CA 0.560 55.276 54.840 -0.207 0.000 0.752 179 L CB -0.338 41.552 42.059 -0.282 0.000 0.899 179 L HN 0.189 nan 8.230 nan 0.000 0.433 180 L N -0.714 120.287 121.223 -0.370 0.000 2.141 180 L HA -0.174 4.175 4.340 0.015 0.000 0.209 180 L C 2.836 179.711 176.870 0.008 0.000 1.094 180 L CA 0.941 55.574 54.840 -0.345 0.000 0.763 180 L CB -0.708 41.170 42.059 -0.302 0.000 0.908 180 L HN 0.243 nan 8.230 nan 0.000 0.437 181 A N -1.320 121.483 122.820 -0.028 0.000 1.873 181 A HA -0.153 4.175 4.320 0.015 0.000 0.215 181 A C 0.906 178.556 177.584 0.111 0.000 1.186 181 A CA 1.385 53.432 52.037 0.017 0.000 0.616 181 A CB -0.051 18.910 19.000 -0.064 0.000 0.823 181 A HN 0.429 nan 8.150 nan 0.000 0.442 182 D N -2.933 117.501 120.400 0.058 0.000 2.804 182 D HA 0.405 5.054 4.640 0.015 0.000 0.209 182 D C -0.507 175.829 176.300 0.061 0.000 1.314 182 D CA 0.310 54.360 54.000 0.083 0.000 0.894 182 D CB 1.449 42.289 40.800 0.066 0.000 1.615 182 D HN 0.092 nan 8.370 nan 0.000 0.571 183 A N 1.871 124.760 122.820 0.115 0.000 2.423 183 A HA 0.511 4.840 4.320 0.015 0.000 0.246 183 A C 1.405 179.062 177.584 0.121 0.000 1.278 183 A CA 0.700 52.812 52.037 0.125 0.000 0.903 183 A CB -0.070 19.101 19.000 0.286 0.000 0.997 183 A HN 1.057 nan 8.150 nan 0.000 0.510 184 G N -1.362 107.496 108.800 0.096 0.000 2.203 184 G HA2 0.070 4.039 3.960 0.015 0.000 0.263 184 G HA3 0.070 4.039 3.960 0.015 0.000 0.263 184 G C 1.519 176.471 174.900 0.087 0.000 1.012 184 G CA 0.924 46.072 45.100 0.080 0.000 0.749 184 G HN 2.091 nan 8.290 nan 0.000 0.512 185 G N -1.736 107.125 108.800 0.102 0.000 2.184 185 G HA2 -0.266 3.703 3.960 0.015 0.000 0.264 185 G HA3 -0.266 3.703 3.960 0.015 0.000 0.264 185 G C 0.250 175.216 174.900 0.110 0.000 0.975 185 G CA 0.929 46.084 45.100 0.092 0.000 0.642 185 G HN 0.924 nan 8.290 nan 0.000 0.536 186 E N 0.730 121.013 120.200 0.139 0.000 2.349 186 E HA 0.456 4.815 4.350 0.015 0.000 0.265 186 E C 0.593 177.320 176.600 0.212 0.000 1.064 186 E CA 0.492 56.990 56.400 0.163 0.000 0.886 186 E CB 1.140 30.942 29.700 0.170 0.000 1.036 186 E HN 0.547 nan 8.360 nan 0.000 0.413 187 D N -0.275 120.238 120.400 0.189 0.000 2.530 187 D HA -0.019 4.630 4.640 0.015 0.000 0.290 187 D C -0.346 176.059 176.300 0.176 0.000 1.398 187 D CA -0.099 53.969 54.000 0.114 0.000 0.848 187 D CB 0.046 40.836 40.800 -0.018 0.000 1.279 187 D HN 0.209 nan 8.370 nan 0.000 0.483 188 Q N 0.919 120.884 119.800 0.275 0.000 2.786 188 Q HA 0.512 4.861 4.340 0.015 0.000 0.240 188 Q C -1.279 175.070 176.000 0.580 0.000 0.928 188 Q CA -0.273 55.782 55.803 0.420 0.000 0.721 188 Q CB 2.133 31.116 28.738 0.410 0.000 1.318 188 Q HN 0.109 nan 8.270 nan 0.000 0.474 189 L N 0.990 122.616 121.223 0.673 0.000 2.370 189 L HA 0.940 5.289 4.340 0.015 0.000 0.266 189 L C -0.710 176.511 176.870 0.584 0.000 1.002 189 L CA -0.836 54.347 54.840 0.572 0.000 0.818 189 L CB 2.125 44.392 42.059 0.348 0.000 1.325 189 L HN 0.484 nan 8.230 nan 0.000 0.418 190 A N 3.319 126.363 122.820 0.374 0.000 2.343 190 A HA 0.759 5.088 4.320 0.015 0.000 0.308 190 A C -0.857 176.754 177.584 0.045 0.000 1.092 190 A CA -0.380 51.705 52.037 0.081 0.000 0.751 190 A CB 0.770 19.581 19.000 -0.315 0.000 1.203 190 A HN 0.623 nan 8.150 nan 0.000 0.452 191 I N 3.532 124.113 120.570 0.017 0.000 2.325 191 I HA 0.376 4.555 4.170 0.015 0.000 0.291 191 I C 0.213 176.308 176.117 -0.037 0.000 1.019 191 I CA -0.371 60.930 61.300 0.001 0.000 1.302 191 I CB 0.690 38.692 38.000 0.004 0.000 1.401 191 I HN 0.613 nan 8.210 nan 0.000 0.485 192 R N 3.570 124.051 120.500 -0.033 0.000 2.930 192 R HA 0.423 4.772 4.340 0.015 0.000 0.257 192 R C 0.987 177.270 176.300 -0.028 0.000 1.107 192 R CA -0.669 55.401 56.100 -0.050 0.000 0.999 192 R CB 0.857 31.116 30.300 -0.069 0.000 1.209 192 R HN 0.674 nan 8.270 nan 0.000 0.486 193 G N 0.115 108.896 108.800 -0.031 0.000 2.422 193 G HA2 -0.262 3.707 3.960 0.015 0.000 0.218 193 G HA3 -0.262 3.707 3.960 0.015 0.000 0.218 193 G C 1.128 176.021 174.900 -0.012 0.000 1.146 193 G CA 1.288 46.377 45.100 -0.019 0.000 0.769 193 G HN 0.576 nan 8.290 nan 0.000 0.547 194 S N -0.623 115.070 115.700 -0.012 0.000 2.489 194 S HA 0.457 4.936 4.470 0.015 0.000 0.228 194 S C 1.087 175.690 174.600 0.005 0.000 0.995 194 S CA 0.823 59.021 58.200 -0.003 0.000 0.934 194 S CB 0.068 63.267 63.200 -0.003 0.000 0.771 194 S HN 1.334 nan 8.310 nan 0.000 0.522 195 G N -0.300 108.504 108.800 0.006 0.000 2.352 195 G HA2 0.323 4.292 3.960 0.015 0.000 0.283 195 G HA3 0.323 4.292 3.960 0.015 0.000 0.283 195 G C -1.691 173.224 174.900 0.025 0.000 1.308 195 G CA -0.430 44.680 45.100 0.016 0.000 0.892 195 G HN 0.431 nan 8.290 nan 0.000 0.504 196 V N 0.957 120.896 119.914 0.042 0.000 2.427 196 V HA 0.657 4.786 4.120 0.015 0.000 0.286 196 V C 0.355 176.513 176.094 0.106 0.000 1.034 196 V CA -0.418 61.923 62.300 0.068 0.000 0.893 196 V CB 0.959 32.822 31.823 0.066 0.000 0.982 196 V HN 0.622 nan 8.190 nan 0.000 0.452 197 L N 3.938 125.253 121.223 0.153 0.000 2.330 197 L HA 0.954 5.303 4.340 0.015 0.000 0.271 197 L C 0.114 177.228 176.870 0.406 0.000 1.013 197 L CA -0.563 54.432 54.840 0.259 0.000 0.816 197 L CB 1.905 44.128 42.059 0.274 0.000 1.287 197 L HN 0.723 nan 8.230 nan 0.000 0.435 198 A N 1.703 124.748 122.820 0.374 0.000 2.454 198 A HA 0.689 5.018 4.320 0.015 0.000 0.302 198 A C -0.930 176.626 177.584 -0.046 0.000 1.079 198 A CA -0.710 51.494 52.037 0.279 0.000 0.731 198 A CB 1.721 20.821 19.000 0.166 0.000 1.299 198 A HN 0.752 nan 8.150 nan 0.000 0.413 199 R N 0.830 121.070 120.500 -0.432 0.000 2.390 199 R HA 0.498 4.847 4.340 0.015 0.000 0.291 199 R C -0.773 175.253 176.300 -0.458 0.000 1.070 199 R CA -0.213 55.294 56.100 -0.989 0.000 1.014 199 R CB 0.442 30.168 30.300 -0.957 0.000 1.007 199 R HN 0.680 nan 8.270 nan 0.000 0.466 200 R N 3.430 123.651 120.500 -0.464 0.000 2.725 200 R HA 0.364 4.713 4.340 0.015 0.000 0.277 200 R C -1.415 174.742 176.300 -0.239 0.000 0.987 200 R CA -1.161 54.786 56.100 -0.254 0.000 0.901 200 R CB 1.511 31.692 30.300 -0.197 0.000 1.207 200 R HN 0.437 nan 8.270 nan 0.000 0.463 201 L N 1.369 122.498 121.223 -0.156 0.000 2.295 201 L HA 0.771 5.120 4.340 0.015 0.000 0.285 201 L C -0.795 176.004 176.870 -0.119 0.000 1.035 201 L CA -0.157 54.615 54.840 -0.114 0.000 0.806 201 L CB 1.531 43.547 42.059 -0.073 0.000 1.214 201 L HN 0.819 nan 8.230 nan 0.000 0.426 202 A N 2.854 125.641 122.820 -0.055 0.000 2.515 202 A HA 0.601 4.930 4.320 0.015 0.000 0.296 202 A C -1.129 176.506 177.584 0.086 0.000 1.094 202 A CA -0.676 51.345 52.037 -0.027 0.000 0.718 202 A CB 0.550 19.540 19.000 -0.016 0.000 1.307 202 A HN 0.836 nan 8.150 nan 0.000 0.408 203 H N 0.521 119.625 119.070 0.056 0.000 2.972 203 H HA 0.356 4.919 4.556 0.013 0.000 0.343 203 H C 0.950 176.273 175.328 -0.009 0.000 1.054 203 H CA 1.278 57.241 56.048 -0.141 0.000 1.412 203 H CB 0.776 30.430 29.762 -0.180 0.000 1.385 203 H HN 0.887 nan 8.280 nan 0.000 0.600 204 A N 2.514 125.348 122.820 0.022 0.000 2.332 204 A HA 0.565 4.894 4.320 0.015 0.000 0.258 204 A C 0.300 177.830 177.584 -0.089 0.000 1.087 204 A CA -0.262 51.721 52.037 -0.089 0.000 0.802 204 A CB 0.099 19.007 19.000 -0.153 0.000 1.042 204 A HN 0.885 nan 8.150 nan 0.000 0.489 205 A N 2.132 124.871 122.820 -0.136 0.000 2.498 205 A HA 0.496 4.825 4.320 0.015 0.000 0.239 205 A C -2.157 175.378 177.584 -0.082 0.000 1.068 205 A CA -0.757 51.230 52.037 -0.084 0.000 0.766 205 A CB -0.871 18.078 19.000 -0.084 0.000 1.003 205 A HN 0.633 nan 8.150 nan 0.000 0.497 206 P HA 0.265 nan 4.420 nan 0.000 0.267 206 P C -0.066 177.201 177.300 -0.055 0.000 1.200 206 P CA 0.342 63.400 63.100 -0.069 0.000 0.772 206 P CB 0.533 32.191 31.700 -0.070 0.000 0.855 207 A N 2.669 125.460 122.820 -0.048 0.000 2.540 207 A HA 0.232 4.561 4.320 0.015 0.000 0.239 207 A C -0.116 177.452 177.584 -0.027 0.000 1.061 207 A CA 0.176 52.194 52.037 -0.033 0.000 0.758 207 A CB -0.287 18.698 19.000 -0.024 0.000 0.991 207 A HN 0.377 nan 8.150 nan 0.000 0.502 208 V N 6.103 126.005 119.914 -0.020 0.000 2.350 208 V HA 0.301 4.430 4.120 0.015 0.000 0.285 208 V C -2.294 173.797 176.094 -0.005 0.000 1.014 208 V CA -1.485 60.807 62.300 -0.014 0.000 0.831 208 V CB 1.379 33.193 31.823 -0.015 0.000 1.000 208 V HN 0.788 nan 8.190 nan 0.000 0.433 209 P HA 0.274 nan 4.420 nan 0.000 0.267 209 P C 1.068 178.373 177.300 0.008 0.000 1.205 209 P CA 1.159 64.262 63.100 0.006 0.000 0.765 209 P CB 0.907 32.610 31.700 0.005 0.000 0.828 210 G N 2.581 111.389 108.800 0.014 0.000 2.253 210 G HA2 -0.335 3.634 3.960 0.015 0.000 0.251 210 G HA3 -0.335 3.634 3.960 0.015 0.000 0.251 210 G C 1.355 176.262 174.900 0.012 0.000 0.998 210 G CA 0.627 45.735 45.100 0.014 0.000 0.621 210 G HN 0.591 nan 8.290 nan 0.000 0.524 211 S N 0.214 115.919 115.700 0.008 0.000 2.423 211 S HA 0.233 4.712 4.470 0.015 0.000 0.231 211 S C 2.241 176.845 174.600 0.008 0.000 1.014 211 S CA 1.656 59.859 58.200 0.005 0.000 0.965 211 S CB -0.348 62.851 63.200 -0.001 0.000 0.785 211 S HN 1.587 nan 8.310 nan 0.000 0.495 212 G N 1.114 109.922 108.800 0.013 0.000 3.042 212 G HA2 0.229 4.198 3.960 0.015 0.000 0.212 212 G HA3 0.229 4.198 3.960 0.015 0.000 0.212 212 G C 0.188 175.102 174.900 0.023 0.000 1.166 212 G CA -0.418 44.692 45.100 0.017 0.000 0.767 212 G HN 0.577 nan 8.290 nan 0.000 0.546 213 K N -0.013 120.401 120.400 0.023 0.000 3.311 213 K HA -0.258 4.071 4.320 0.015 0.000 0.270 213 K C 0.518 177.140 176.600 0.037 0.000 0.927 213 K CA 0.523 56.825 56.287 0.026 0.000 0.706 213 K CB -1.361 31.150 32.500 0.020 0.000 1.418 213 K HN 0.518 nan 8.250 nan 0.000 0.459 214 R N 1.535 122.063 120.500 0.046 0.000 2.449 214 R HA 0.103 4.452 4.340 0.015 0.000 0.296 214 R C -1.971 174.372 176.300 0.072 0.000 1.047 214 R CA -1.258 54.882 56.100 0.066 0.000 1.018 214 R CB 0.473 30.820 30.300 0.079 0.000 0.962 214 R HN 0.005 nan 8.270 nan 0.000 0.428 215 P HA 0.215 nan 4.420 nan 0.000 0.276 215 P C -2.524 174.846 177.300 0.117 0.000 1.244 215 P CA -1.407 61.745 63.100 0.087 0.000 0.801 215 P CB 0.189 31.955 31.700 0.110 0.000 1.006 216 P HA -0.023 nan 4.420 nan 0.000 0.266 216 P C -0.365 177.065 177.300 0.217 0.000 1.195 216 P CA 0.172 63.334 63.100 0.104 0.000 0.768 216 P CB 0.197 31.918 31.700 0.035 0.000 0.838 217 V N 5.680 125.709 119.914 0.193 0.000 2.529 217 V HA 0.127 4.256 4.120 0.015 0.000 0.292 217 V C 0.893 177.143 176.094 0.260 0.000 1.028 217 V CA 0.776 63.203 62.300 0.210 0.000 1.074 217 V CB -0.715 31.192 31.823 0.139 0.000 0.958 217 V HN 0.873 nan 8.190 nan 0.000 0.481 218 H N 2.666 121.783 119.070 0.078 0.000 2.902 218 H HA 0.593 5.157 4.556 0.013 0.000 0.297 218 H C 0.161 175.537 175.328 0.080 0.000 1.406 218 H CA -0.244 55.846 56.048 0.070 0.000 1.134 218 H CB 1.133 30.930 29.762 0.059 0.000 1.833 218 H HN 1.084 nan 8.280 nan 0.000 0.527 219 G N 0.344 109.145 108.800 0.002 0.000 2.575 219 G HA2 -0.238 3.731 3.960 0.015 0.000 0.267 219 G HA3 -0.238 3.731 3.960 0.015 0.000 0.267 219 G C -0.730 174.179 174.900 0.016 0.000 1.264 219 G CA 0.162 45.233 45.100 -0.049 0.000 0.935 219 G HN 0.833 nan 8.290 nan 0.000 0.568 220 S N -0.763 114.950 115.700 0.021 0.000 2.508 220 S HA 0.604 5.083 4.470 0.015 0.000 0.284 220 S C 0.026 174.615 174.600 -0.019 0.000 1.192 220 S CA -0.345 57.886 58.200 0.051 0.000 1.070 220 S CB 1.751 65.029 63.200 0.131 0.000 1.004 220 S HN 1.060 nan 8.310 nan 0.000 0.493 221 V N 4.192 124.080 119.914 -0.044 0.000 2.487 221 V HA 0.397 4.526 4.120 0.015 0.000 0.298 221 V C -0.607 175.478 176.094 -0.015 0.000 1.028 221 V CA -0.804 61.506 62.300 0.017 0.000 0.860 221 V CB 1.550 33.412 31.823 0.065 0.000 0.991 221 V HN 0.717 nan 8.190 nan 0.000 0.427 222 L N 7.028 128.268 121.223 0.029 0.000 2.265 222 L HA 0.611 4.960 4.340 0.015 0.000 0.288 222 L C -0.384 176.519 176.870 0.056 0.000 1.058 222 L CA 0.305 55.150 54.840 0.008 0.000 0.809 222 L CB 1.391 43.455 42.059 0.009 0.000 1.179 222 L HN 0.457 nan 8.230 nan 0.000 0.429 223 V N 4.408 124.331 119.914 0.015 0.000 2.304 223 V HA 0.351 4.480 4.120 0.015 0.000 0.278 223 V C 0.448 176.539 176.094 -0.005 0.000 1.018 223 V CA -0.400 61.909 62.300 0.015 0.000 0.814 223 V CB 1.012 32.816 31.823 -0.032 0.000 1.021 223 V HN 0.895 nan 8.190 nan 0.000 0.440 224 T N 1.077 115.636 114.554 0.009 0.000 2.918 224 T HA 0.478 4.837 4.350 0.015 0.000 0.302 224 T C 1.260 175.941 174.700 -0.032 0.000 1.045 224 T CA 0.530 62.645 62.100 0.026 0.000 1.114 224 T CB 1.282 70.236 68.868 0.143 0.000 0.965 224 T HN 1.856 nan 8.240 nan 0.000 0.540 225 G N 1.462 110.249 108.800 -0.022 0.000 2.203 225 G HA2 -0.203 3.766 3.960 0.015 0.000 0.263 225 G HA3 -0.203 3.766 3.960 0.015 0.000 0.263 225 G C 0.979 175.859 174.900 -0.032 0.000 1.012 225 G CA 0.340 45.420 45.100 -0.035 0.000 0.749 225 G HN 1.465 nan 8.290 nan 0.000 0.512 226 G N -0.365 108.419 108.800 -0.027 0.000 2.598 226 G HA2 0.210 4.179 3.960 0.015 0.000 0.215 226 G HA3 0.210 4.179 3.960 0.015 0.000 0.215 226 G C 1.298 176.179 174.900 -0.032 0.000 1.131 226 G CA 1.632 46.713 45.100 -0.031 0.000 0.785 226 G HN 1.393 nan 8.290 nan 0.000 0.539 227 T N -1.073 113.465 114.554 -0.026 0.000 3.820 227 T HA 0.537 4.896 4.350 0.015 0.000 0.224 227 T C 0.788 175.468 174.700 -0.033 0.000 0.869 227 T CA 0.254 62.339 62.100 -0.025 0.000 0.932 227 T CB -0.058 68.801 68.868 -0.016 0.000 1.259 227 T HN 1.031 nan 8.240 nan 0.000 0.676 228 G N -0.257 108.517 108.800 -0.044 0.000 2.293 228 G HA2 0.390 4.359 3.960 0.015 0.000 0.282 228 G HA3 0.390 4.359 3.960 0.015 0.000 0.282 228 G C 0.476 175.325 174.900 -0.086 0.000 1.299 228 G CA -0.322 44.745 45.100 -0.056 0.000 1.018 228 G HN 0.772 nan 8.290 nan 0.000 0.478 229 G N -0.135 108.599 108.800 -0.110 0.000 3.933 229 G HA2 -0.276 3.693 3.960 0.015 0.000 0.298 229 G HA3 -0.276 3.693 3.960 0.015 0.000 0.298 229 G C 1.704 176.442 174.900 -0.271 0.000 0.858 229 G CA 2.284 47.276 45.100 -0.179 0.000 0.716 229 G HN 1.328 nan 8.290 nan 0.000 1.428 230 I N 1.326 121.622 120.570 -0.458 0.000 2.315 230 I HA -0.067 4.112 4.170 0.015 0.000 0.248 230 I C 3.105 179.074 176.117 -0.247 0.000 1.117 230 I CA 1.189 62.046 61.300 -0.738 0.000 1.404 230 I CB -0.689 36.607 38.000 -1.173 0.000 1.071 230 I HN 0.457 nan 8.210 nan 0.000 0.419 231 G N 0.614 109.369 108.800 -0.075 0.000 2.422 231 G HA2 -0.194 3.775 3.960 0.015 0.000 0.218 231 G HA3 -0.194 3.775 3.960 0.015 0.000 0.218 231 G C 1.722 176.605 174.900 -0.028 0.000 1.146 231 G CA 0.832 45.945 45.100 0.022 0.000 0.769 231 G HN 0.496 nan 8.290 nan 0.000 0.547 232 G N 0.400 109.166 108.800 -0.058 0.000 2.422 232 G HA2 -0.153 3.816 3.960 0.015 0.000 0.218 232 G HA3 -0.153 3.816 3.960 0.015 0.000 0.218 232 G C 1.980 176.860 174.900 -0.033 0.000 1.146 232 G CA 0.565 45.637 45.100 -0.046 0.000 0.769 232 G HN 0.236 nan 8.290 nan 0.000 0.547 233 R N 0.190 120.666 120.500 -0.039 0.000 2.092 233 R HA 0.052 4.401 4.340 0.015 0.000 0.231 233 R C 2.716 179.038 176.300 0.037 0.000 1.119 233 R CA 0.524 56.633 56.100 0.015 0.000 0.970 233 R CB -1.234 29.104 30.300 0.062 0.000 0.864 233 R HN 0.350 nan 8.270 nan 0.000 0.440 234 V N 1.214 121.146 119.914 0.029 0.000 2.295 234 V HA -0.228 3.901 4.120 0.015 0.000 0.246 234 V C 2.487 178.523 176.094 -0.097 0.000 1.049 234 V CA 1.918 64.222 62.300 0.007 0.000 1.024 234 V CB -0.918 30.953 31.823 0.081 0.000 0.648 234 V HN 0.310 nan 8.190 nan 0.000 0.447 235 A N -0.390 122.377 122.820 -0.089 0.000 1.908 235 A HA -0.254 4.075 4.320 0.015 0.000 0.218 235 A C 2.400 179.950 177.584 -0.057 0.000 1.181 235 A CA 1.901 53.881 52.037 -0.095 0.000 0.627 235 A CB -0.564 18.398 19.000 -0.064 0.000 0.818 235 A HN 0.448 nan 8.150 nan 0.000 0.445 236 R N -1.191 119.293 120.500 -0.027 0.000 2.091 236 R HA -0.163 4.186 4.340 0.015 0.000 0.238 236 R C 2.467 178.766 176.300 -0.001 0.000 1.136 236 R CA 1.727 57.822 56.100 -0.007 0.000 0.959 236 R CB -0.309 29.994 30.300 0.005 0.000 0.856 236 R HN 0.485 nan 8.270 nan 0.000 0.437 237 R N 1.084 121.586 120.500 0.003 0.000 2.083 237 R HA -0.114 4.235 4.340 0.015 0.000 0.237 237 R C 2.244 178.542 176.300 -0.004 0.000 1.137 237 R CA 1.476 57.584 56.100 0.013 0.000 0.951 237 R CB -0.720 29.602 30.300 0.036 0.000 0.851 237 R HN 0.181 nan 8.270 nan 0.000 0.434 238 L N -0.350 120.842 121.223 -0.051 0.000 2.042 238 L HA -0.156 4.193 4.340 0.015 0.000 0.210 238 L C 2.522 179.388 176.870 -0.007 0.000 1.076 238 L CA 1.474 56.285 54.840 -0.049 0.000 0.749 238 L CB -0.632 41.347 42.059 -0.132 0.000 0.893 238 L HN 0.348 nan 8.230 nan 0.000 0.432 239 A N -0.136 122.680 122.820 -0.008 0.000 1.902 239 A HA -0.220 4.109 4.320 0.015 0.000 0.217 239 A C 2.160 179.756 177.584 0.021 0.000 1.181 239 A CA 1.641 53.685 52.037 0.011 0.000 0.623 239 A CB -0.440 18.564 19.000 0.006 0.000 0.818 239 A HN 0.445 nan 8.150 nan 0.000 0.443 240 E N -0.281 119.930 120.200 0.018 0.000 2.160 240 E HA -0.211 4.148 4.350 0.015 0.000 0.195 240 E C 1.610 178.229 176.600 0.032 0.000 0.991 240 E CA 1.351 57.766 56.400 0.025 0.000 0.810 240 E CB -0.133 29.582 29.700 0.026 0.000 0.742 240 E HN 0.746 nan 8.360 nan 0.000 0.466 241 Q N -0.807 119.015 119.800 0.036 0.000 2.247 241 Q HA 0.152 4.501 4.340 0.015 0.000 0.205 241 Q C 0.532 176.566 176.000 0.056 0.000 0.896 241 Q CA 0.323 56.155 55.803 0.048 0.000 0.950 241 Q CB 1.053 29.824 28.738 0.056 0.000 1.054 241 Q HN 0.350 nan 8.270 nan 0.000 0.482 242 G N 0.638 109.468 108.800 0.050 0.000 2.132 242 G HA2 -0.284 3.685 3.960 0.015 0.000 0.234 242 G HA3 -0.284 3.685 3.960 0.015 0.000 0.234 242 G C 0.264 175.208 174.900 0.073 0.000 0.989 242 G CA -0.155 44.979 45.100 0.058 0.000 0.676 242 G HN 0.551 nan 8.290 nan 0.000 0.522 243 A N -0.198 122.661 122.820 0.064 0.000 2.561 243 A HA 0.648 4.977 4.320 0.015 0.000 0.234 243 A C 1.767 179.400 177.584 0.083 0.000 1.055 243 A CA 1.204 53.284 52.037 0.071 0.000 0.756 243 A CB 0.268 19.291 19.000 0.040 0.000 0.986 243 A HN 1.862 nan 8.150 nan 0.000 0.505 244 A N 1.199 124.080 122.820 0.103 0.000 1.930 244 A HA 0.213 4.542 4.320 0.015 0.000 0.215 244 A C 0.968 178.647 177.584 0.159 0.000 1.176 244 A CA 1.905 54.009 52.037 0.112 0.000 0.632 244 A CB -0.223 18.843 19.000 0.111 0.000 0.819 244 A HN 1.200 nan 8.150 nan 0.000 0.445 245 H N -1.623 117.459 119.070 0.020 0.000 3.083 245 H HA 0.627 5.192 4.556 0.015 0.000 0.339 245 H C -1.739 173.596 175.328 0.012 0.000 1.020 245 H CA -1.013 55.044 56.048 0.015 0.000 1.360 245 H CB 0.551 30.321 29.762 0.014 0.000 1.811 245 H HN 0.105 nan 8.280 nan 0.000 0.493 246 L N 5.414 126.555 121.223 -0.137 0.000 2.313 246 L HA 0.522 4.871 4.340 0.015 0.000 0.283 246 L C -0.532 176.125 176.870 -0.355 0.000 1.013 246 L CA -1.166 53.549 54.840 -0.209 0.000 0.816 246 L CB 1.860 43.870 42.059 -0.082 0.000 1.236 246 L HN 0.399 nan 8.230 nan 0.000 0.419 247 V N 5.448 125.159 119.914 -0.339 0.000 2.311 247 V HA 0.366 4.495 4.120 0.015 0.000 0.275 247 V C 0.043 176.074 176.094 -0.105 0.000 1.022 247 V CA -0.382 61.776 62.300 -0.238 0.000 0.830 247 V CB 1.306 32.998 31.823 -0.220 0.000 1.012 247 V HN 0.503 nan 8.190 nan 0.000 0.452 248 L N 5.557 126.740 121.223 -0.067 0.000 2.282 248 L HA 0.703 5.052 4.340 0.015 0.000 0.288 248 L C 0.431 177.290 176.870 -0.018 0.000 1.033 248 L CA -0.202 54.615 54.840 -0.037 0.000 0.807 248 L CB 1.879 43.918 42.059 -0.032 0.000 1.209 248 L HN 0.744 nan 8.230 nan 0.000 0.423 249 T N -0.386 114.163 114.554 -0.008 0.000 2.908 249 T HA 0.860 5.219 4.350 0.015 0.000 0.290 249 T C -0.271 174.434 174.700 0.008 0.000 1.034 249 T CA -0.612 61.491 62.100 0.005 0.000 1.010 249 T CB 2.211 71.089 68.868 0.017 0.000 1.068 249 T HN 0.709 nan 8.240 nan 0.000 0.481 250 S N 1.043 116.751 115.700 0.013 0.000 2.655 250 S HA 0.451 4.930 4.470 0.015 0.000 0.266 250 S C 0.537 175.149 174.600 0.020 0.000 1.149 250 S CA -1.257 56.952 58.200 0.015 0.000 0.818 250 S CB 1.329 64.532 63.200 0.005 0.000 1.130 250 S HN 0.755 nan 8.310 nan 0.000 0.476 251 R N 0.241 120.755 120.500 0.024 0.000 2.115 251 R HA 0.121 4.470 4.340 0.015 0.000 0.230 251 R C 2.123 178.434 176.300 0.019 0.000 1.111 251 R CA 1.323 57.438 56.100 0.025 0.000 0.976 251 R CB -0.256 30.062 30.300 0.030 0.000 0.870 251 R HN 0.554 nan 8.270 nan 0.000 0.445 252 R N -0.146 120.363 120.500 0.014 0.000 2.240 252 R HA 0.082 4.431 4.340 0.015 0.000 0.203 252 R C 1.366 177.671 176.300 0.007 0.000 1.011 252 R CA 0.424 56.529 56.100 0.009 0.000 1.007 252 R CB 0.058 30.361 30.300 0.005 0.000 0.911 252 R HN 0.325 nan 8.270 nan 0.000 0.468 253 G N 1.061 109.866 108.800 0.008 0.000 2.660 253 G HA2 -0.473 3.496 3.960 0.015 0.000 0.321 253 G HA3 -0.473 3.496 3.960 0.015 0.000 0.321 253 G C 0.946 175.848 174.900 0.004 0.000 1.246 253 G CA 0.671 45.775 45.100 0.007 0.000 1.000 253 G HN 0.423 nan 8.290 nan 0.000 0.550 254 A N -0.749 122.075 122.820 0.006 0.000 2.172 254 A HA 0.197 4.526 4.320 0.015 0.000 0.216 254 A C 1.793 179.378 177.584 0.002 0.000 1.154 254 A CA 2.203 54.242 52.037 0.005 0.000 0.701 254 A CB -0.232 18.773 19.000 0.007 0.000 0.789 254 A HN 0.527 nan 8.150 nan 0.000 0.465 255 D N -0.020 120.382 120.400 0.002 0.000 2.339 255 D HA 0.284 4.933 4.640 0.015 0.000 0.217 255 D C 0.891 177.190 176.300 -0.003 0.000 1.050 255 D CA 0.649 54.649 54.000 -0.000 0.000 0.856 255 D CB -0.015 40.785 40.800 0.001 0.000 0.922 255 D HN 0.433 nan 8.370 nan 0.000 0.518 256 A N 1.788 124.606 122.820 -0.003 0.000 2.425 256 A HA 0.325 4.654 4.320 0.015 0.000 0.242 256 A C -2.163 175.415 177.584 -0.010 0.000 1.077 256 A CA -0.827 51.206 52.037 -0.007 0.000 0.781 256 A CB -0.163 18.832 19.000 -0.008 0.000 1.020 256 A HN -0.085 nan 8.150 nan 0.000 0.494 257 P HA 0.274 nan 4.420 nan 0.000 0.264 257 P C 0.984 178.273 177.300 -0.018 0.000 1.193 257 P CA 1.651 64.741 63.100 -0.017 0.000 0.763 257 P CB 0.593 32.280 31.700 -0.021 0.000 0.810 258 G N 2.624 111.415 108.800 -0.016 0.000 2.184 258 G HA2 -0.356 3.613 3.960 0.015 0.000 0.264 258 G HA3 -0.356 3.613 3.960 0.015 0.000 0.264 258 G C 1.177 176.070 174.900 -0.012 0.000 0.975 258 G CA 0.497 45.588 45.100 -0.015 0.000 0.642 258 G HN 0.679 nan 8.290 nan 0.000 0.536 259 A N 0.191 123.005 122.820 -0.010 0.000 1.933 259 A HA 0.404 4.733 4.320 0.015 0.000 0.218 259 A C 2.814 180.395 177.584 -0.004 0.000 1.175 259 A CA 2.598 54.631 52.037 -0.008 0.000 0.628 259 A CB -0.776 18.221 19.000 -0.005 0.000 0.814 259 A HN 1.762 nan 8.150 nan 0.000 0.444 260 A N -0.432 122.386 122.820 -0.003 0.000 1.898 260 A HA -0.064 4.265 4.320 0.015 0.000 0.216 260 A C 1.909 179.492 177.584 -0.001 0.000 1.181 260 A CA 1.860 53.897 52.037 -0.001 0.000 0.620 260 A CB -0.419 18.580 19.000 -0.001 0.000 0.819 260 A HN 0.432 nan 8.150 nan 0.000 0.442 261 E N -0.068 120.130 120.200 -0.003 0.000 2.051 261 E HA -0.123 4.236 4.350 0.015 0.000 0.192 261 E C 1.953 178.551 176.600 -0.003 0.000 0.991 261 E CA 0.810 57.207 56.400 -0.004 0.000 0.799 261 E CB -0.391 29.305 29.700 -0.006 0.000 0.748 261 E HN 0.558 nan 8.360 nan 0.000 0.449 262 L N 0.513 121.733 121.223 -0.006 0.000 2.012 262 L HA -0.245 4.104 4.340 0.015 0.000 0.210 262 L C 2.509 179.378 176.870 -0.002 0.000 1.073 262 L CA 1.757 56.593 54.840 -0.006 0.000 0.748 262 L CB -0.165 41.888 42.059 -0.011 0.000 0.891 262 L HN 0.108 nan 8.230 nan 0.000 0.431 263 R N 0.043 120.544 120.500 0.001 0.000 2.083 263 R HA -0.190 4.159 4.340 0.015 0.000 0.237 263 R C 2.241 178.547 176.300 0.009 0.000 1.137 263 R CA 1.839 57.943 56.100 0.007 0.000 0.951 263 R CB -0.445 29.861 30.300 0.010 0.000 0.851 263 R HN 0.478 nan 8.270 nan 0.000 0.434 264 A N 0.615 123.438 122.820 0.006 0.000 1.902 264 A HA -0.222 4.107 4.320 0.015 0.000 0.217 264 A C 2.103 179.691 177.584 0.007 0.000 1.181 264 A CA 1.709 53.750 52.037 0.007 0.000 0.623 264 A CB -0.690 18.312 19.000 0.004 0.000 0.818 264 A HN 0.664 nan 8.150 nan 0.000 0.443 265 E N 0.004 120.207 120.200 0.005 0.000 2.077 265 E HA -0.172 4.187 4.350 0.015 0.000 0.193 265 E C 1.899 178.504 176.600 0.008 0.000 0.989 265 E CA 1.228 57.631 56.400 0.005 0.000 0.800 265 E CB -0.242 29.459 29.700 0.003 0.000 0.746 265 E HN 0.641 nan 8.360 nan 0.000 0.452 266 L N 0.552 121.779 121.223 0.008 0.000 2.056 266 L HA -0.151 4.198 4.340 0.015 0.000 0.207 266 L C 2.469 179.350 176.870 0.018 0.000 1.078 266 L CA 1.369 56.216 54.840 0.011 0.000 0.749 266 L CB -0.434 41.630 42.059 0.009 0.000 0.901 266 L HN 0.146 nan 8.230 nan 0.000 0.433 267 E N -0.367 119.844 120.200 0.018 0.000 2.153 267 E HA -0.213 4.146 4.350 0.015 0.000 0.194 267 E C 2.281 178.892 176.600 0.018 0.000 0.988 267 E CA 0.641 57.053 56.400 0.021 0.000 0.811 267 E CB 0.009 29.721 29.700 0.020 0.000 0.746 267 E HN 0.411 nan 8.360 nan 0.000 0.466 268 Q N 0.262 120.071 119.800 0.014 0.000 2.170 268 Q HA -0.096 4.253 4.340 0.015 0.000 0.203 268 Q C 2.166 178.175 176.000 0.015 0.000 0.976 268 Q CA 0.896 56.706 55.803 0.013 0.000 0.858 268 Q CB -0.078 28.666 28.738 0.010 0.000 0.907 268 Q HN 0.394 nan 8.270 nan 0.000 0.433 269 L N -1.163 120.070 121.223 0.017 0.000 2.549 269 L HA -0.035 4.314 4.340 0.015 0.000 0.229 269 L C 1.475 178.359 176.870 0.023 0.000 1.158 269 L CA 0.811 55.662 54.840 0.019 0.000 0.842 269 L CB -0.246 41.825 42.059 0.019 0.000 0.952 269 L HN 0.388 nan 8.230 nan 0.000 0.452 270 G N -0.996 107.818 108.800 0.024 0.000 2.278 270 G HA2 -0.237 3.732 3.960 0.015 0.000 0.210 270 G HA3 -0.237 3.732 3.960 0.015 0.000 0.210 270 G C 0.303 175.223 174.900 0.033 0.000 1.000 270 G CA -0.107 45.008 45.100 0.026 0.000 0.635 270 G HN 0.031 nan 8.290 nan 0.000 0.495 271 V N 2.562 122.499 119.914 0.039 0.000 2.585 271 V HA 0.312 4.441 4.120 0.015 0.000 0.296 271 V C 1.355 177.490 176.094 0.068 0.000 1.035 271 V CA -0.003 62.330 62.300 0.056 0.000 1.084 271 V CB 1.200 33.053 31.823 0.050 0.000 0.953 271 V HN 0.536 nan 8.190 nan 0.000 0.483 272 R N 3.502 124.058 120.500 0.094 0.000 2.489 272 R HA 0.350 4.699 4.340 0.015 0.000 0.287 272 R C -1.092 175.342 176.300 0.224 0.000 1.053 272 R CA -0.134 56.038 56.100 0.120 0.000 1.036 272 R CB 0.592 30.927 30.300 0.058 0.000 0.966 272 R HN 0.569 nan 8.270 nan 0.000 0.432 273 V N 4.047 124.059 119.914 0.163 0.000 2.487 273 V HA 0.304 4.433 4.120 0.015 0.000 0.298 273 V C -0.343 175.837 176.094 0.143 0.000 1.028 273 V CA -0.613 61.763 62.300 0.126 0.000 0.860 273 V CB 2.151 34.009 31.823 0.057 0.000 0.991 273 V HN 0.833 nan 8.190 nan 0.000 0.427 274 T N 6.225 120.854 114.554 0.124 0.000 2.807 274 T HA 0.674 5.033 4.350 0.015 0.000 0.279 274 T C -0.410 174.308 174.700 0.030 0.000 0.993 274 T CA -0.199 61.967 62.100 0.110 0.000 0.970 274 T CB 1.126 70.112 68.868 0.196 0.000 0.950 274 T HN 0.389 nan 8.240 nan 0.000 0.441 275 I N 2.636 123.224 120.570 0.029 0.000 2.406 275 I HA 0.699 4.878 4.170 0.015 0.000 0.290 275 I C -0.060 176.067 176.117 0.016 0.000 0.999 275 I CA -0.928 60.380 61.300 0.013 0.000 1.124 275 I CB 1.568 39.574 38.000 0.010 0.000 1.289 275 I HN 0.658 nan 8.210 nan 0.000 0.441 276 A N 4.717 127.545 122.820 0.012 0.000 2.393 276 A HA 0.850 5.179 4.320 0.015 0.000 0.306 276 A C -0.474 177.119 177.584 0.015 0.000 1.050 276 A CA -0.670 51.377 52.037 0.016 0.000 0.724 276 A CB 1.580 20.591 19.000 0.019 0.000 1.248 276 A HN 0.778 nan 8.150 nan 0.000 0.424 277 A N 0.821 123.650 122.820 0.016 0.000 2.376 277 A HA 0.518 4.847 4.320 0.015 0.000 0.298 277 A C -0.185 177.412 177.584 0.021 0.000 1.271 277 A CA -0.154 51.893 52.037 0.017 0.000 0.926 277 A CB -0.652 18.356 19.000 0.015 0.000 1.141 277 A HN 1.706 nan 8.150 nan 0.000 0.539 278 C N 3.884 123.199 119.300 0.026 0.000 2.892 278 C HA 0.320 4.789 4.460 0.015 0.000 0.360 278 C C -0.644 174.371 174.990 0.041 0.000 1.054 278 C CA -0.892 58.145 59.018 0.031 0.000 1.326 278 C CB 0.044 27.802 27.740 0.031 0.000 1.806 278 C HN 0.915 nan 8.230 nan 0.000 0.490 279 D N 3.330 123.757 120.400 0.045 0.000 2.451 279 D HA 0.184 4.832 4.640 0.015 0.000 0.254 279 D C 1.145 177.493 176.300 0.079 0.000 1.204 279 D CA 0.761 54.796 54.000 0.059 0.000 0.896 279 D CB 1.527 42.360 40.800 0.055 0.000 1.136 279 D HN 0.759 nan 8.370 nan 0.000 0.499 280 A N 3.875 126.752 122.820 0.095 0.000 2.121 280 A HA 0.023 4.352 4.320 0.015 0.000 0.218 280 A C 1.843 179.519 177.584 0.153 0.000 1.154 280 A CA 1.408 53.517 52.037 0.119 0.000 0.679 280 A CB -0.075 19.024 19.000 0.165 0.000 0.795 280 A HN 0.597 nan 8.150 nan 0.000 0.458 281 A N -0.705 122.200 122.820 0.142 0.000 2.275 281 A HA 0.192 4.521 4.320 0.015 0.000 0.212 281 A C 0.585 178.332 177.584 0.271 0.000 1.201 281 A CA 0.390 52.532 52.037 0.176 0.000 0.843 281 A CB -0.139 18.906 19.000 0.075 0.000 0.873 281 A HN 0.332 nan 8.150 nan 0.000 0.492 282 D N 0.304 120.806 120.400 0.170 0.000 2.411 282 D HA 0.136 4.785 4.640 0.015 0.000 0.225 282 D C 1.132 177.431 176.300 -0.002 0.000 1.156 282 D CA -0.401 53.653 54.000 0.089 0.000 0.874 282 D CB 0.427 41.258 40.800 0.053 0.000 1.034 282 D HN 0.275 nan 8.370 nan 0.000 0.502 283 R N 3.093 123.472 120.500 -0.200 0.000 2.105 283 R HA -0.178 4.171 4.340 0.015 0.000 0.239 283 R C 1.632 177.820 176.300 -0.188 0.000 1.135 283 R CA 1.482 57.311 56.100 -0.451 0.000 0.967 283 R CB 0.144 29.961 30.300 -0.805 0.000 0.861 283 R HN 0.577 nan 8.270 nan 0.000 0.442 284 E N -0.486 119.646 120.200 -0.114 0.000 2.106 284 E HA -0.156 4.203 4.350 0.015 0.000 0.192 284 E C 1.703 178.282 176.600 -0.036 0.000 0.984 284 E CA 1.036 57.398 56.400 -0.063 0.000 0.806 284 E CB -0.039 29.636 29.700 -0.041 0.000 0.750 284 E HN 0.463 nan 8.360 nan 0.000 0.458 285 A N 0.932 123.739 122.820 -0.021 0.000 1.930 285 A HA -0.128 4.201 4.320 0.015 0.000 0.217 285 A C 2.098 179.683 177.584 0.002 0.000 1.175 285 A CA 1.066 53.103 52.037 -0.001 0.000 0.627 285 A CB -0.550 18.458 19.000 0.014 0.000 0.815 285 A HN 0.380 nan 8.150 nan 0.000 0.443 286 L N -0.137 121.085 121.223 -0.001 0.000 2.046 286 L HA -0.043 4.306 4.340 0.015 0.000 0.208 286 L C 2.607 179.477 176.870 -0.000 0.000 1.077 286 L CA 2.252 57.097 54.840 0.010 0.000 0.747 286 L CB -0.750 41.322 42.059 0.022 0.000 0.896 286 L HN 0.314 nan 8.230 nan 0.000 0.432 287 A N -0.472 122.335 122.820 -0.022 0.000 1.933 287 A HA -0.074 4.255 4.320 0.015 0.000 0.218 287 A C 2.440 180.021 177.584 -0.006 0.000 1.175 287 A CA 1.703 53.729 52.037 -0.019 0.000 0.628 287 A CB -1.126 17.852 19.000 -0.037 0.000 0.814 287 A HN 0.593 nan 8.150 nan 0.000 0.444 288 A N -0.621 122.196 122.820 -0.005 0.000 1.930 288 A HA 0.002 4.331 4.320 0.015 0.000 0.217 288 A C 2.114 179.705 177.584 0.013 0.000 1.175 288 A CA 1.618 53.657 52.037 0.003 0.000 0.627 288 A CB -0.546 18.456 19.000 0.003 0.000 0.815 288 A HN 0.606 nan 8.150 nan 0.000 0.443 289 L N -0.258 120.974 121.223 0.015 0.000 2.046 289 L HA -0.076 4.273 4.340 0.015 0.000 0.208 289 L C 2.264 179.151 176.870 0.029 0.000 1.077 289 L CA 1.577 56.431 54.840 0.024 0.000 0.747 289 L CB -0.348 41.725 42.059 0.023 0.000 0.896 289 L HN 0.401 nan 8.230 nan 0.000 0.432 290 L N -0.856 120.380 121.223 0.023 0.000 2.141 290 L HA -0.128 4.221 4.340 0.015 0.000 0.209 290 L C 2.594 179.479 176.870 0.025 0.000 1.094 290 L CA 0.968 55.824 54.840 0.025 0.000 0.763 290 L CB -0.876 41.195 42.059 0.019 0.000 0.908 290 L HN 0.347 nan 8.230 nan 0.000 0.437 291 A N -0.178 122.652 122.820 0.018 0.000 2.067 291 A HA -0.179 4.150 4.320 0.015 0.000 0.219 291 A C 2.066 179.662 177.584 0.021 0.000 1.158 291 A CA 1.260 53.306 52.037 0.015 0.000 0.661 291 A CB -0.326 18.679 19.000 0.008 0.000 0.801 291 A HN 0.443 nan 8.150 nan 0.000 0.452 292 E N -0.454 119.763 120.200 0.028 0.000 2.427 292 E HA 0.077 4.436 4.350 0.015 0.000 0.196 292 E C -0.281 176.346 176.600 0.045 0.000 1.028 292 E CA -0.237 56.183 56.400 0.034 0.000 0.864 292 E CB -0.112 29.612 29.700 0.041 0.000 0.813 292 E HN 0.577 nan 8.360 nan 0.000 0.514 293 L N 3.336 124.592 121.223 0.055 0.000 2.410 293 L HA 0.177 4.526 4.340 0.015 0.000 0.273 293 L C -1.827 175.066 176.870 0.039 0.000 1.152 293 L CA -1.791 53.091 54.840 0.071 0.000 0.855 293 L CB -0.160 41.950 42.059 0.084 0.000 1.129 293 L HN -0.074 nan 8.230 nan 0.000 0.463 294 P HA 0.124 nan 4.420 nan 0.000 0.276 294 P C 0.088 177.397 177.300 0.015 0.000 1.244 294 P CA -0.509 62.595 63.100 0.007 0.000 0.801 294 P CB 0.830 32.518 31.700 -0.020 0.000 1.006 295 E N 1.677 121.884 120.200 0.012 0.000 2.086 295 E HA -0.231 4.128 4.350 0.015 0.000 0.200 295 E C 1.210 177.824 176.600 0.022 0.000 1.012 295 E CA 1.792 58.202 56.400 0.016 0.000 0.812 295 E CB -0.958 28.749 29.700 0.011 0.000 0.743 295 E HN 0.658 nan 8.360 nan 0.000 0.453 296 D N 0.538 120.947 120.400 0.016 0.000 2.363 296 D HA 0.024 4.673 4.640 0.015 0.000 0.220 296 D C 0.245 176.565 176.300 0.033 0.000 0.994 296 D CA 0.695 54.708 54.000 0.022 0.000 0.890 296 D CB 0.146 40.952 40.800 0.010 0.000 0.906 296 D HN 0.085 nan 8.370 nan 0.000 0.530 297 A N 1.293 124.133 122.820 0.034 0.000 3.370 297 A HA 0.400 4.729 4.320 0.015 0.000 0.295 297 A C -2.709 174.918 177.584 0.071 0.000 1.030 297 A CA -1.061 51.012 52.037 0.060 0.000 0.883 297 A CB 0.770 19.803 19.000 0.055 0.000 1.191 297 A HN 0.017 nan 8.150 nan 0.000 0.507 298 P HA 0.229 nan 4.420 nan 0.000 0.274 298 P C 0.056 177.369 177.300 0.023 0.000 1.237 298 P CA -0.312 62.812 63.100 0.040 0.000 0.793 298 P CB 0.994 32.716 31.700 0.037 0.000 0.977 299 L N 2.414 123.653 121.223 0.026 0.000 2.499 299 L HA 0.052 4.401 4.340 0.015 0.000 0.273 299 L C 1.354 178.217 176.870 -0.012 0.000 1.195 299 L CA 1.374 56.222 54.840 0.015 0.000 0.882 299 L CB -0.097 41.978 42.059 0.027 0.000 1.133 299 L HN 0.595 nan 8.230 nan 0.000 0.483 300 T N 1.158 115.686 114.554 -0.043 0.000 2.958 300 T HA 0.699 5.058 4.350 0.015 0.000 0.256 300 T C 0.270 174.970 174.700 -0.001 0.000 0.983 300 T CA 0.244 62.302 62.100 -0.070 0.000 0.924 300 T CB 0.237 68.936 68.868 -0.281 0.000 1.136 300 T HN 0.836 nan 8.240 nan 0.000 0.506 301 A N 0.365 123.204 122.820 0.031 0.000 2.605 301 A HA 0.688 5.017 4.320 0.015 0.000 0.294 301 A C -1.674 175.937 177.584 0.045 0.000 1.062 301 A CA -0.684 51.382 52.037 0.047 0.000 0.682 301 A CB 1.623 20.703 19.000 0.134 0.000 1.278 301 A HN 0.290 nan 8.150 nan 0.000 0.410 302 V N 1.097 120.966 119.914 -0.075 0.000 2.540 302 V HA 0.645 4.774 4.120 0.015 0.000 0.302 302 V C -1.371 174.472 176.094 -0.418 0.000 1.035 302 V CA -0.278 61.931 62.300 -0.151 0.000 0.873 302 V CB 1.418 33.108 31.823 -0.222 0.000 0.992 302 V HN 0.702 nan 8.190 nan 0.000 0.428 303 F N 3.060 122.875 119.950 -0.225 0.000 2.445 303 F HA 0.405 4.943 4.527 0.018 0.000 0.348 303 F C 0.305 175.851 175.800 -0.423 0.000 1.125 303 F CA -0.405 57.380 58.000 -0.358 0.000 0.983 303 F CB 1.103 39.943 39.000 -0.266 0.000 1.198 303 F HN 0.527 nan 8.300 nan 0.000 0.436 304 H N 2.568 121.312 119.070 -0.543 0.000 2.787 304 H HA 0.199 4.763 4.556 0.014 0.000 0.275 304 H C 0.088 175.151 175.328 -0.441 0.000 1.183 304 H CA -0.017 55.786 56.048 -0.407 0.000 1.290 304 H CB 1.177 30.724 29.762 -0.359 0.000 1.438 304 H HN 0.653 nan 8.280 nan 0.000 0.487 305 S N 3.151 118.545 115.700 -0.510 0.000 2.559 305 S HA 0.265 4.744 4.470 0.015 0.000 0.226 305 S C 0.616 175.085 174.600 -0.219 0.000 1.000 305 S CA -0.074 57.967 58.200 -0.265 0.000 0.948 305 S CB 0.003 63.165 63.200 -0.064 0.000 0.870 305 S HN 0.735 nan 8.310 nan 0.000 0.497 306 A N 0.841 123.437 122.820 -0.374 0.000 2.498 306 A HA 0.614 4.943 4.320 0.015 0.000 0.239 306 A C 0.732 178.214 177.584 -0.171 0.000 1.068 306 A CA 0.580 52.498 52.037 -0.198 0.000 0.766 306 A CB -0.354 18.591 19.000 -0.091 0.000 1.003 306 A HN 0.834 nan 8.150 nan 0.000 0.497 307 G N -0.673 108.103 108.800 -0.040 0.000 2.358 307 G HA2 0.590 4.559 3.960 0.015 0.000 0.301 307 G HA3 0.590 4.559 3.960 0.015 0.000 0.301 307 G C -1.022 173.904 174.900 0.044 0.000 1.539 307 G CA 0.020 45.132 45.100 0.021 0.000 0.893 307 G HN 2.101 nan 8.290 nan 0.000 0.636 308 V N -2.154 117.780 119.914 0.034 0.000 2.962 308 V HA 0.943 5.072 4.120 0.015 0.000 0.313 308 V C 0.660 176.696 176.094 -0.096 0.000 1.099 308 V CA 0.055 62.310 62.300 -0.075 0.000 0.971 308 V CB 1.474 33.114 31.823 -0.305 0.000 1.028 308 V HN 2.232 nan 8.190 nan 0.000 0.430 309 A N 1.216 123.875 122.820 -0.269 0.000 2.324 309 A HA 0.304 4.633 4.320 0.015 0.000 0.220 309 A C 0.889 178.285 177.584 -0.314 0.000 1.209 309 A CA 0.301 51.995 52.037 -0.573 0.000 0.918 309 A CB -0.457 17.991 19.000 -0.920 0.000 0.959 309 A HN 1.167 nan 8.150 nan 0.000 0.507 310 H N -1.182 117.806 119.070 -0.136 0.000 2.679 310 H HA 0.318 4.884 4.556 0.015 0.000 0.369 310 H C -0.664 174.631 175.328 -0.056 0.000 1.178 310 H CA 0.638 56.633 56.048 -0.088 0.000 1.419 310 H CB 0.445 30.169 29.762 -0.063 0.000 1.458 310 H HN 0.082 nan 8.280 nan 0.000 0.605 311 D N 0.031 120.509 120.400 0.129 0.000 2.800 311 D HA -0.157 4.492 4.640 0.015 0.000 0.232 311 D C -0.543 175.755 176.300 -0.003 0.000 1.137 311 D CA 1.152 55.197 54.000 0.075 0.000 0.718 311 D CB -0.776 40.114 40.800 0.150 0.000 1.084 311 D HN 0.630 nan 8.370 nan 0.000 0.432 312 D N -0.751 119.639 120.400 -0.017 0.000 2.529 312 D HA 0.848 5.497 4.640 0.015 0.000 0.273 312 D C -0.101 176.193 176.300 -0.010 0.000 1.197 312 D CA 0.214 54.204 54.000 -0.016 0.000 1.070 312 D CB 1.323 42.111 40.800 -0.020 0.000 1.134 312 D HN 0.172 nan 8.370 nan 0.000 0.590 313 A N 0.278 123.093 122.820 -0.009 0.000 2.601 313 A HA 0.573 4.902 4.320 0.015 0.000 0.291 313 A C -2.815 174.763 177.584 -0.010 0.000 1.075 313 A CA -1.093 50.939 52.037 -0.009 0.000 0.671 313 A CB 1.038 20.032 19.000 -0.010 0.000 1.277 313 A HN 0.339 nan 8.150 nan 0.000 0.417 314 P HA 0.160 nan 4.420 nan 0.000 0.267 314 P C 1.230 178.535 177.300 0.008 0.000 1.201 314 P CA -0.081 63.011 63.100 -0.012 0.000 0.775 314 P CB 0.461 32.152 31.700 -0.014 0.000 0.854 315 V N 2.156 122.083 119.914 0.022 0.000 2.317 315 V HA -0.331 3.798 4.120 0.015 0.000 0.251 315 V C 2.287 178.423 176.094 0.069 0.000 1.065 315 V CA 2.785 65.116 62.300 0.051 0.000 1.049 315 V CB -1.642 30.240 31.823 0.099 0.000 0.651 315 V HN 0.707 nan 8.190 nan 0.000 0.450 316 A N -0.897 122.000 122.820 0.128 0.000 2.121 316 A HA -0.173 4.156 4.320 0.015 0.000 0.218 316 A C 1.764 179.365 177.584 0.028 0.000 1.154 316 A CA 1.857 53.945 52.037 0.085 0.000 0.679 316 A CB -0.288 18.792 19.000 0.133 0.000 0.795 316 A HN 0.620 nan 8.150 nan 0.000 0.458 317 D N -1.834 118.577 120.400 0.018 0.000 2.473 317 D HA 0.148 4.797 4.640 0.015 0.000 0.230 317 D C 0.306 176.596 176.300 -0.016 0.000 1.097 317 D CA -0.324 53.675 54.000 -0.002 0.000 0.861 317 D CB -0.106 40.694 40.800 -0.001 0.000 1.114 317 D HN 0.332 nan 8.370 nan 0.000 0.500 318 L N 2.559 123.772 121.223 -0.017 0.000 2.525 318 L HA 0.134 4.483 4.340 0.015 0.000 0.278 318 L C 0.581 177.418 176.870 -0.055 0.000 1.218 318 L CA 0.449 55.270 54.840 -0.032 0.000 0.878 318 L CB 0.490 42.532 42.059 -0.027 0.000 1.127 318 L HN 0.008 nan 8.230 nan 0.000 0.492 319 T N 2.102 116.615 114.554 -0.069 0.000 2.927 319 T HA 0.354 4.713 4.350 0.015 0.000 0.281 319 T C 1.366 175.962 174.700 -0.173 0.000 0.998 319 T CA -0.797 61.240 62.100 -0.106 0.000 1.019 319 T CB 0.788 69.606 68.868 -0.084 0.000 1.061 319 T HN 0.588 nan 8.240 nan 0.000 0.518 320 L N 1.081 122.137 121.223 -0.278 0.000 2.141 320 L HA 0.115 4.464 4.340 0.015 0.000 0.209 320 L C 2.894 179.407 176.870 -0.595 0.000 1.094 320 L CA 1.403 55.922 54.840 -0.534 0.000 0.763 320 L CB -0.929 40.585 42.059 -0.908 0.000 0.908 320 L HN 1.005 nan 8.230 nan 0.000 0.437 321 G N -0.839 107.762 108.800 -0.331 0.000 2.421 321 G HA2 -0.211 3.758 3.960 0.015 0.000 0.217 321 G HA3 -0.211 3.758 3.960 0.015 0.000 0.217 321 G C 1.506 176.359 174.900 -0.078 0.000 1.143 321 G CA 0.155 45.190 45.100 -0.108 0.000 0.784 321 G HN 0.363 nan 8.290 nan 0.000 0.541 322 Q N -0.727 119.023 119.800 -0.083 0.000 2.079 322 Q HA -0.014 4.335 4.340 0.015 0.000 0.200 322 Q C 2.443 178.404 176.000 -0.065 0.000 0.974 322 Q CA 0.952 56.723 55.803 -0.054 0.000 0.840 322 Q CB -0.227 28.485 28.738 -0.043 0.000 0.898 322 Q HN 0.415 nan 8.270 nan 0.000 0.430 323 L N 1.073 122.237 121.223 -0.099 0.000 2.046 323 L HA -0.181 4.168 4.340 0.015 0.000 0.208 323 L C 1.648 178.475 176.870 -0.072 0.000 1.077 323 L CA 2.100 56.891 54.840 -0.082 0.000 0.747 323 L CB -0.530 41.463 42.059 -0.110 0.000 0.896 323 L HN 0.146 nan 8.230 nan 0.000 0.432 324 D N -0.763 119.580 120.400 -0.095 0.000 2.104 324 D HA -0.206 4.442 4.640 0.015 0.000 0.194 324 D C 2.149 178.442 176.300 -0.013 0.000 0.994 324 D CA 1.465 55.448 54.000 -0.029 0.000 0.830 324 D CB -0.026 40.799 40.800 0.042 0.000 0.959 324 D HN 0.458 nan 8.370 nan 0.000 0.452 325 A N -0.255 122.556 122.820 -0.014 0.000 1.972 325 A HA -0.091 4.238 4.320 0.015 0.000 0.219 325 A C 2.242 179.808 177.584 -0.030 0.000 1.169 325 A CA 0.930 52.959 52.037 -0.014 0.000 0.635 325 A CB -0.656 18.336 19.000 -0.013 0.000 0.810 325 A HN 0.363 nan 8.150 nan 0.000 0.446 326 L N -1.077 120.129 121.223 -0.029 0.000 2.179 326 L HA -0.092 4.257 4.340 0.015 0.000 0.208 326 L C 2.542 179.418 176.870 0.009 0.000 1.096 326 L CA 0.551 55.389 54.840 -0.004 0.000 0.779 326 L CB -0.308 41.766 42.059 0.025 0.000 0.922 326 L HN 0.305 nan 8.230 nan 0.000 0.443 327 M N -0.716 118.878 119.600 -0.011 0.000 2.319 327 M HA -0.149 4.340 4.480 0.015 0.000 0.265 327 M C 2.284 178.563 176.300 -0.034 0.000 1.068 327 M CA 1.359 56.641 55.300 -0.031 0.000 1.118 327 M CB -1.085 31.482 32.600 -0.055 0.000 1.395 327 M HN 0.207 nan 8.290 nan 0.000 0.435 328 R N 0.717 121.206 120.500 -0.017 0.000 2.073 328 R HA -0.060 4.289 4.340 0.015 0.000 0.234 328 R C 1.970 178.273 176.300 0.006 0.000 1.134 328 R CA 1.735 57.826 56.100 -0.015 0.000 0.952 328 R CB -0.167 30.137 30.300 0.006 0.000 0.850 328 R HN 0.297 nan 8.270 nan 0.000 0.433 329 A N 0.129 122.971 122.820 0.037 0.000 2.235 329 A HA 0.011 4.340 4.320 0.015 0.000 0.208 329 A C 1.361 179.051 177.584 0.176 0.000 1.172 329 A CA 0.665 52.757 52.037 0.092 0.000 0.786 329 A CB 0.001 19.043 19.000 0.069 0.000 0.804 329 A HN 0.191 nan 8.150 nan 0.000 0.479 330 K N -0.987 119.481 120.400 0.114 0.000 2.290 330 K HA 0.248 4.577 4.320 0.015 0.000 0.225 330 K C 1.853 178.516 176.600 0.104 0.000 1.060 330 K CA 0.409 56.797 56.287 0.169 0.000 0.903 330 K CB -1.005 31.549 32.500 0.090 0.000 1.158 330 K HN 0.370 nan 8.250 nan 0.000 0.460 331 L N 1.740 122.903 121.223 -0.100 0.000 1.976 331 L HA -0.165 4.184 4.340 0.015 0.000 0.209 331 L C 2.276 178.962 176.870 -0.307 0.000 1.071 331 L CA 1.778 56.350 54.840 -0.447 0.000 0.746 331 L CB -0.529 41.126 42.059 -0.675 0.000 0.890 331 L HN 0.215 nan 8.230 nan 0.000 0.432 332 T N -0.046 114.359 114.554 -0.247 0.000 2.708 332 T HA -0.145 4.214 4.350 0.015 0.000 0.266 332 T C 1.846 176.289 174.700 -0.429 0.000 1.037 332 T CA 1.275 63.173 62.100 -0.336 0.000 1.146 332 T CB -0.436 68.296 68.868 -0.227 0.000 0.865 332 T HN 0.539 nan 8.240 nan 0.000 0.435 333 A N 1.378 124.089 122.820 -0.181 0.000 1.902 333 A HA 0.199 4.527 4.320 0.015 0.000 0.217 333 A C 2.608 180.084 177.584 -0.181 0.000 1.181 333 A CA 1.766 53.737 52.037 -0.110 0.000 0.623 333 A CB -1.019 18.008 19.000 0.045 0.000 0.818 333 A HN 0.505 nan 8.150 nan 0.000 0.443 334 A N -0.864 121.857 122.820 -0.165 0.000 1.968 334 A HA -0.069 4.259 4.320 0.015 0.000 0.217 334 A C 2.243 179.916 177.584 0.147 0.000 1.169 334 A CA 1.180 53.169 52.037 -0.080 0.000 0.638 334 A CB -0.435 18.625 19.000 0.100 0.000 0.812 334 A HN 0.449 nan 8.150 nan 0.000 0.446 335 R N -0.843 119.716 120.500 0.098 0.000 2.083 335 R HA -0.163 4.186 4.340 0.015 0.000 0.237 335 R C 1.992 178.405 176.300 0.189 0.000 1.137 335 R CA 1.987 58.174 56.100 0.145 0.000 0.951 335 R CB -0.559 29.735 30.300 -0.009 0.000 0.851 335 R HN 0.811 nan 8.270 nan 0.000 0.434 336 H N -0.056 119.069 119.070 0.091 0.000 2.353 336 H HA -0.095 4.470 4.556 0.015 0.000 0.300 336 H C 2.260 177.633 175.328 0.074 0.000 1.090 336 H CA 1.147 57.232 56.048 0.062 0.000 1.327 336 H CB 0.011 29.791 29.762 0.031 0.000 1.383 336 H HN 0.112 nan 8.280 nan 0.000 0.508 337 L N -0.310 121.044 121.223 0.219 0.000 2.046 337 L HA -0.221 4.128 4.340 0.015 0.000 0.208 337 L C 2.621 179.689 176.870 0.330 0.000 1.077 337 L CA 1.490 56.471 54.840 0.234 0.000 0.747 337 L CB -0.388 41.745 42.059 0.124 0.000 0.896 337 L HN 0.379 nan 8.230 nan 0.000 0.432 338 H N 0.310 119.529 119.070 0.248 0.000 2.321 338 H HA -0.176 4.389 4.556 0.015 0.000 0.300 338 H C 2.120 177.429 175.328 -0.032 0.000 1.087 338 H CA 2.031 58.057 56.048 -0.036 0.000 1.319 338 H CB 0.094 29.845 29.762 -0.018 0.000 1.379 338 H HN 0.295 nan 8.280 nan 0.000 0.501 339 E N -0.054 120.076 120.200 -0.118 0.000 2.077 339 E HA -0.101 4.258 4.350 0.015 0.000 0.193 339 E C 2.018 178.538 176.600 -0.133 0.000 0.989 339 E CA 1.189 57.487 56.400 -0.170 0.000 0.800 339 E CB 0.031 29.753 29.700 0.037 0.000 0.746 339 E HN 0.484 nan 8.360 nan 0.000 0.452 340 L N 0.404 121.602 121.223 -0.043 0.000 2.554 340 L HA 0.019 4.368 4.340 0.015 0.000 0.226 340 L C 1.971 178.818 176.870 -0.038 0.000 1.137 340 L CA 0.940 55.762 54.840 -0.029 0.000 0.863 340 L CB -0.031 42.031 42.059 0.006 0.000 0.985 340 L HN 0.259 nan 8.230 nan 0.000 0.451 341 T N -5.702 108.811 114.554 -0.068 0.000 3.043 341 T HA 0.238 4.597 4.350 0.015 0.000 0.272 341 T C 1.672 176.283 174.700 -0.148 0.000 0.990 341 T CA 0.436 62.501 62.100 -0.058 0.000 0.897 341 T CB 0.515 69.412 68.868 0.048 0.000 1.111 341 T HN 0.098 nan 8.240 nan 0.000 0.529 342 A N 1.988 124.652 122.820 -0.260 0.000 2.076 342 A HA -0.054 4.275 4.320 0.015 0.000 0.220 342 A C 1.827 179.318 177.584 -0.155 0.000 1.160 342 A CA 1.578 53.443 52.037 -0.287 0.000 0.653 342 A CB -0.518 18.232 19.000 -0.416 0.000 0.801 342 A HN 0.467 nan 8.150 nan 0.000 0.455 343 D N -1.239 119.093 120.400 -0.112 0.000 2.349 343 D HA 0.181 4.830 4.640 0.015 0.000 0.214 343 D C 0.802 177.076 176.300 -0.045 0.000 1.063 343 D CA 0.204 54.164 54.000 -0.068 0.000 0.847 343 D CB 0.414 41.181 40.800 -0.054 0.000 0.933 343 D HN 0.308 nan 8.370 nan 0.000 0.513 344 L N 0.128 121.326 121.223 -0.043 0.000 2.592 344 L HA 0.110 4.459 4.340 0.015 0.000 0.227 344 L C 0.177 177.043 176.870 -0.007 0.000 1.127 344 L CA 0.166 54.996 54.840 -0.017 0.000 0.884 344 L CB -0.305 41.751 42.059 -0.006 0.000 1.065 344 L HN -0.145 nan 8.230 nan 0.000 0.457 345 D N 0.234 120.623 120.400 -0.019 0.000 2.705 345 D HA -0.220 4.429 4.640 0.015 0.000 0.240 345 D C -0.057 176.251 176.300 0.014 0.000 1.137 345 D CA 0.361 54.358 54.000 -0.005 0.000 0.677 345 D CB -0.889 39.914 40.800 0.005 0.000 1.049 345 D HN 0.128 nan 8.370 nan 0.000 0.427 346 L N 0.307 121.536 121.223 0.011 0.000 2.467 346 L HA 0.121 4.470 4.340 0.015 0.000 0.270 346 L C 1.690 178.586 176.870 0.044 0.000 1.205 346 L CA -0.398 54.464 54.840 0.037 0.000 0.828 346 L CB 0.385 42.484 42.059 0.067 0.000 1.101 346 L HN 0.038 nan 8.230 nan 0.000 0.479 347 D N 0.950 121.384 120.400 0.057 0.000 2.194 347 D HA 0.109 4.758 4.640 0.015 0.000 0.204 347 D C 0.354 176.687 176.300 0.055 0.000 0.964 347 D CA 0.811 54.853 54.000 0.071 0.000 0.846 347 D CB 0.368 41.233 40.800 0.109 0.000 0.962 347 D HN 0.550 nan 8.370 nan 0.000 0.490 348 A N -0.326 122.514 122.820 0.033 0.000 2.549 348 A HA 0.588 4.917 4.320 0.015 0.000 0.297 348 A C -1.872 175.701 177.584 -0.018 0.000 1.061 348 A CA -0.635 51.386 52.037 -0.028 0.000 0.690 348 A CB 1.363 20.296 19.000 -0.112 0.000 1.287 348 A HN 0.015 nan 8.150 nan 0.000 0.402 349 F N 2.491 122.313 119.950 -0.214 0.000 2.949 349 F HA 0.535 5.069 4.527 0.011 0.000 0.376 349 F C -1.329 174.333 175.800 -0.231 0.000 1.205 349 F CA -0.351 57.526 58.000 -0.204 0.000 1.155 349 F CB 1.458 40.401 39.000 -0.094 0.000 1.495 349 F HN 0.371 nan 8.300 nan 0.000 0.551 350 V N 6.657 126.229 119.914 -0.570 0.000 2.384 350 V HA 0.432 4.561 4.120 0.015 0.000 0.287 350 V C -0.212 175.656 176.094 -0.378 0.000 1.020 350 V CA -0.662 61.392 62.300 -0.411 0.000 0.850 350 V CB 1.638 33.111 31.823 -0.583 0.000 0.987 350 V HN 0.528 nan 8.190 nan 0.000 0.436 351 L N 5.184 126.317 121.223 -0.150 0.000 2.287 351 L HA 0.562 4.911 4.340 0.015 0.000 0.287 351 L C -0.889 176.083 176.870 0.171 0.000 1.022 351 L CA -0.416 54.394 54.840 -0.049 0.000 0.814 351 L CB 1.285 43.342 42.059 -0.002 0.000 1.217 351 L HN 0.419 nan 8.230 nan 0.000 0.420 352 F N 1.883 121.819 119.950 -0.023 0.000 2.390 352 F HA 0.332 4.866 4.527 0.011 0.000 0.361 352 F C 0.842 176.605 175.800 -0.061 0.000 1.124 352 F CA -0.355 57.624 58.000 -0.035 0.000 1.149 352 F CB 1.089 40.194 39.000 0.176 0.000 1.160 352 F HN 0.442 nan 8.300 nan 0.000 0.501 353 S N 2.200 117.915 115.700 0.026 0.000 2.561 353 S HA 0.776 5.255 4.470 0.015 0.000 0.282 353 S C -0.292 174.263 174.600 -0.074 0.000 1.123 353 S CA -0.267 57.893 58.200 -0.067 0.000 1.011 353 S CB 1.482 64.622 63.200 -0.100 0.000 1.244 353 S HN 0.596 nan 8.310 nan 0.000 0.503 354 S N -1.861 113.747 115.700 -0.154 0.000 2.550 354 S HA 0.541 5.020 4.470 0.015 0.000 0.270 354 S C 0.835 175.245 174.600 -0.317 0.000 1.145 354 S CA 0.008 58.143 58.200 -0.108 0.000 0.852 354 S CB 0.797 63.948 63.200 -0.082 0.000 1.119 354 S HN 0.996 nan 8.310 nan 0.000 0.465 355 G N 1.816 110.339 108.800 -0.462 0.000 2.462 355 G HA2 -0.063 3.906 3.960 0.015 0.000 0.220 355 G HA3 -0.063 3.906 3.960 0.015 0.000 0.220 355 G C 1.557 175.730 174.900 -1.211 0.000 1.121 355 G CA 1.141 45.373 45.100 -1.447 0.000 0.758 355 G HN 1.180 nan 8.290 nan 0.000 0.559 356 A N 1.016 123.559 122.820 -0.462 0.000 1.948 356 A HA 0.145 4.474 4.320 0.015 0.000 0.220 356 A C 2.712 180.156 177.584 -0.234 0.000 1.177 356 A CA 2.423 54.329 52.037 -0.219 0.000 0.636 356 A CB -0.583 18.462 19.000 0.075 0.000 0.815 356 A HN 0.856 nan 8.150 nan 0.000 0.449 357 A N -1.488 121.170 122.820 -0.270 0.000 2.081 357 A HA 0.326 4.654 4.320 0.015 0.000 0.214 357 A C 2.014 179.506 177.584 -0.155 0.000 1.158 357 A CA 1.206 53.145 52.037 -0.162 0.000 0.724 357 A CB -0.190 18.718 19.000 -0.153 0.000 0.826 357 A HN 0.322 nan 8.150 nan 0.000 0.463 358 V N -1.889 117.842 119.914 -0.305 0.000 2.575 358 V HA -0.098 4.031 4.120 0.015 0.000 0.242 358 V C 2.061 178.166 176.094 0.018 0.000 1.045 358 V CA 1.679 63.888 62.300 -0.153 0.000 1.065 358 V CB -0.565 31.142 31.823 -0.194 0.000 0.717 358 V HN 0.981 nan 8.190 nan 0.000 0.467 359 W N 0.077 121.429 121.300 0.087 0.000 2.871 359 W HA 0.677 5.343 4.660 0.011 0.000 0.267 359 W C 0.723 177.431 176.519 0.316 0.000 1.180 359 W CA 0.146 57.581 57.345 0.151 0.000 1.463 359 W CB -0.193 29.265 29.460 -0.003 0.000 0.966 359 W HN 0.279 nan 8.180 nan 0.000 0.605 360 G N 1.029 109.913 108.800 0.141 0.000 2.784 360 G HA2 0.233 4.202 3.960 0.015 0.000 0.686 360 G HA3 0.233 4.202 3.960 0.015 0.000 0.686 360 G C -1.041 174.057 174.900 0.330 0.000 1.156 360 G CA -0.404 44.822 45.100 0.211 0.000 0.757 360 G HN 0.540 nan 8.290 nan 0.000 0.642 361 S N 0.362 116.168 115.700 0.178 0.000 2.672 361 S HA 0.736 5.215 4.470 0.015 0.000 0.291 361 S C 0.694 175.343 174.600 0.082 0.000 1.145 361 S CA 0.600 58.914 58.200 0.189 0.000 1.013 361 S CB 0.979 64.286 63.200 0.179 0.000 1.017 361 S HN 2.175 nan 8.310 nan 0.000 0.487 362 G N 1.914 110.740 108.800 0.044 0.000 2.353 362 G HA2 0.425 4.394 3.960 0.015 0.000 0.239 362 G HA3 0.425 4.394 3.960 0.015 0.000 0.239 362 G C 1.212 176.105 174.900 -0.012 0.000 1.295 362 G CA 0.412 45.496 45.100 -0.026 0.000 0.884 362 G HN 1.910 nan 8.290 nan 0.000 0.537 363 G N 1.132 109.914 108.800 -0.030 0.000 2.176 363 G HA2 -0.244 3.725 3.960 0.015 0.000 0.253 363 G HA3 -0.244 3.725 3.960 0.015 0.000 0.253 363 G C 0.599 175.500 174.900 0.001 0.000 0.979 363 G CA 0.533 45.622 45.100 -0.018 0.000 0.641 363 G HN 0.823 nan 8.290 nan 0.000 0.530 364 Q N -0.106 119.707 119.800 0.021 0.000 2.217 364 Q HA 0.175 4.524 4.340 0.015 0.000 0.340 364 Q C -1.550 174.491 176.000 0.069 0.000 0.893 364 Q CA -1.036 54.804 55.803 0.062 0.000 1.142 364 Q CB 1.638 30.444 28.738 0.113 0.000 1.288 364 Q HN 0.441 nan 8.270 nan 0.000 0.426 365 P HA -0.178 nan 4.420 nan 0.000 0.216 365 P C 1.351 178.671 177.300 0.034 0.000 1.153 365 P CA 1.575 64.680 63.100 0.009 0.000 0.848 365 P CB 0.169 31.859 31.700 -0.017 0.000 0.787 366 G N -0.915 107.912 108.800 0.046 0.000 2.421 366 G HA2 -0.298 3.671 3.960 0.015 0.000 0.216 366 G HA3 -0.298 3.671 3.960 0.015 0.000 0.216 366 G C 1.665 176.625 174.900 0.101 0.000 1.171 366 G CA 0.548 45.678 45.100 0.050 0.000 0.775 366 G HN 0.189 nan 8.290 nan 0.000 0.543 367 Y N 2.065 122.351 120.300 -0.023 0.000 2.224 367 Y HA 0.063 4.623 4.550 0.017 0.000 0.289 367 Y C 2.890 178.787 175.900 -0.006 0.000 1.146 367 Y CA 0.997 59.088 58.100 -0.016 0.000 1.182 367 Y CB -0.327 38.122 38.460 -0.019 0.000 0.983 367 Y HN 0.252 nan 8.280 nan 0.000 0.524 368 A N 0.265 123.117 122.820 0.053 0.000 1.877 368 A HA -0.116 4.213 4.320 0.015 0.000 0.216 368 A C 2.454 180.022 177.584 -0.026 0.000 1.186 368 A CA 1.943 53.960 52.037 -0.033 0.000 0.620 368 A CB -1.480 17.524 19.000 0.007 0.000 0.822 368 A HN 0.548 nan 8.150 nan 0.000 0.443 369 A N -0.112 122.718 122.820 0.015 0.000 1.877 369 A HA 0.140 4.469 4.320 0.015 0.000 0.216 369 A C 2.539 180.151 177.584 0.047 0.000 1.186 369 A CA 2.271 54.336 52.037 0.047 0.000 0.620 369 A CB -1.123 17.906 19.000 0.049 0.000 0.822 369 A HN 1.084 nan 8.150 nan 0.000 0.443 370 A N 0.146 122.971 122.820 0.007 0.000 1.877 370 A HA -0.206 4.123 4.320 0.015 0.000 0.216 370 A C 1.968 179.557 177.584 0.009 0.000 1.186 370 A CA 1.723 53.766 52.037 0.010 0.000 0.620 370 A CB -0.650 18.341 19.000 -0.015 0.000 0.822 370 A HN 0.593 nan 8.150 nan 0.000 0.443 371 N N 0.088 118.709 118.700 -0.132 0.000 2.331 371 N HA -0.045 4.704 4.740 0.015 0.000 0.180 371 N C 1.862 177.342 175.510 -0.050 0.000 1.019 371 N CA 1.167 54.132 53.050 -0.142 0.000 0.881 371 N CB -0.312 37.968 38.487 -0.345 0.000 0.972 371 N HN 0.482 nan 8.380 nan 0.000 0.435 372 A N 0.495 123.309 122.820 -0.010 0.000 1.969 372 A HA -0.179 4.150 4.320 0.015 0.000 0.218 372 A C 2.036 179.648 177.584 0.048 0.000 1.169 372 A CA 0.817 52.872 52.037 0.031 0.000 0.635 372 A CB -0.813 18.242 19.000 0.093 0.000 0.810 372 A HN 0.407 nan 8.150 nan 0.000 0.445 373 Y N 0.767 121.065 120.300 -0.003 0.000 2.165 373 Y HA -0.206 4.357 4.550 0.021 0.000 0.286 373 Y C 1.902 177.799 175.900 -0.005 0.000 1.155 373 Y CA 1.882 59.981 58.100 -0.002 0.000 1.164 373 Y CB -0.292 38.166 38.460 -0.002 0.000 0.978 373 Y HN 0.237 nan 8.280 nan 0.000 0.513 374 L N -0.118 121.093 121.223 -0.021 0.000 2.012 374 L HA -0.274 4.075 4.340 0.015 0.000 0.210 374 L C 2.225 179.020 176.870 -0.124 0.000 1.073 374 L CA 1.735 56.535 54.840 -0.068 0.000 0.748 374 L CB -0.772 41.317 42.059 0.050 0.000 0.891 374 L HN 0.246 nan 8.230 nan 0.000 0.431 375 D N 0.316 120.661 120.400 -0.091 0.000 2.123 375 D HA -0.186 4.463 4.640 0.015 0.000 0.196 375 D C 2.185 178.417 176.300 -0.115 0.000 0.992 375 D CA 1.662 55.615 54.000 -0.078 0.000 0.833 375 D CB 0.030 40.798 40.800 -0.053 0.000 0.954 375 D HN 0.375 nan 8.370 nan 0.000 0.455 376 A N 0.873 123.587 122.820 -0.176 0.000 1.930 376 A HA -0.103 4.226 4.320 0.015 0.000 0.217 376 A C 2.176 179.609 177.584 -0.251 0.000 1.175 376 A CA 0.685 52.599 52.037 -0.205 0.000 0.627 376 A CB -0.572 18.299 19.000 -0.215 0.000 0.815 376 A HN 0.205 nan 8.150 nan 0.000 0.443 377 L N -0.223 120.755 121.223 -0.410 0.000 2.083 377 L HA -0.043 4.306 4.340 0.015 0.000 0.209 377 L C 2.597 179.384 176.870 -0.139 0.000 1.083 377 L CA 2.038 56.676 54.840 -0.336 0.000 0.752 377 L CB -0.651 41.138 42.059 -0.451 0.000 0.899 377 L HN 0.330 nan 8.230 nan 0.000 0.433 378 A N -0.955 121.818 122.820 -0.079 0.000 1.898 378 A HA -0.153 4.176 4.320 0.015 0.000 0.216 378 A C 2.159 179.718 177.584 -0.041 0.000 1.181 378 A CA 1.541 53.571 52.037 -0.012 0.000 0.620 378 A CB -0.514 18.494 19.000 0.013 0.000 0.819 378 A HN 0.515 nan 8.150 nan 0.000 0.442 379 E N -0.761 119.407 120.200 -0.053 0.000 2.106 379 E HA -0.196 4.163 4.350 0.015 0.000 0.192 379 E C 1.894 178.457 176.600 -0.063 0.000 0.984 379 E CA 1.135 57.502 56.400 -0.055 0.000 0.806 379 E CB -0.556 29.108 29.700 -0.060 0.000 0.750 379 E HN 0.850 nan 8.360 nan 0.000 0.458 380 H N 1.362 120.337 119.070 -0.159 0.000 2.321 380 H HA -0.034 4.533 4.556 0.017 0.000 0.300 380 H C 2.103 177.337 175.328 -0.156 0.000 1.087 380 H CA 1.481 57.431 56.048 -0.163 0.000 1.319 380 H CB 0.230 29.869 29.762 -0.205 0.000 1.379 380 H HN 0.025 nan 8.280 nan 0.000 0.501 381 R N -0.005 120.362 120.500 -0.222 0.000 2.105 381 R HA -0.099 4.250 4.340 0.015 0.000 0.239 381 R C 2.630 178.813 176.300 -0.195 0.000 1.135 381 R CA 0.969 56.925 56.100 -0.241 0.000 0.967 381 R CB -0.009 30.177 30.300 -0.189 0.000 0.861 381 R HN 0.318 nan 8.270 nan 0.000 0.442 382 R N 0.345 120.760 120.500 -0.141 0.000 2.105 382 R HA -0.111 4.238 4.340 0.015 0.000 0.239 382 R C 2.353 178.574 176.300 -0.131 0.000 1.135 382 R CA 1.832 57.869 56.100 -0.106 0.000 0.967 382 R CB -0.699 29.560 30.300 -0.068 0.000 0.861 382 R HN 0.321 nan 8.270 nan 0.000 0.442 383 S N 0.548 116.136 115.700 -0.185 0.000 2.447 383 S HA -0.012 4.467 4.470 0.015 0.000 0.233 383 S C 1.927 176.411 174.600 -0.193 0.000 1.006 383 S CA 0.590 58.681 58.200 -0.182 0.000 0.957 383 S CB -0.247 62.834 63.200 -0.198 0.000 0.773 383 S HN 0.263 nan 8.310 nan 0.000 0.507 384 L N 0.763 121.845 121.223 -0.234 0.000 2.591 384 L HA 0.345 4.694 4.340 0.015 0.000 0.228 384 L C 1.887 178.692 176.870 -0.108 0.000 1.133 384 L CA 0.340 55.078 54.840 -0.171 0.000 0.880 384 L CB -0.646 41.307 42.059 -0.177 0.000 1.033 384 L HN 0.579 nan 8.230 nan 0.000 0.450 385 G N 0.450 109.190 108.800 -0.099 0.000 2.159 385 G HA2 -0.259 3.710 3.960 0.015 0.000 0.256 385 G HA3 -0.259 3.710 3.960 0.015 0.000 0.256 385 G C 0.156 175.017 174.900 -0.065 0.000 0.977 385 G CA -0.134 44.925 45.100 -0.069 0.000 0.652 385 G HN 0.222 nan 8.290 nan 0.000 0.531 386 L N 0.502 121.675 121.223 -0.082 0.000 2.379 386 L HA 0.623 4.972 4.340 0.015 0.000 0.269 386 L C 1.212 178.041 176.870 -0.067 0.000 1.084 386 L CA -0.515 54.276 54.840 -0.083 0.000 0.802 386 L CB 1.430 43.421 42.059 -0.114 0.000 1.175 386 L HN 0.158 nan 8.230 nan 0.000 0.448 387 T N 1.153 115.680 114.554 -0.045 0.000 2.919 387 T HA 0.600 4.959 4.350 0.015 0.000 0.302 387 T C -0.396 174.314 174.700 0.016 0.000 1.031 387 T CA -0.175 61.921 62.100 -0.006 0.000 1.127 387 T CB 0.496 69.376 68.868 0.020 0.000 0.952 387 T HN 0.753 nan 8.240 nan 0.000 0.540 388 A N 2.960 125.807 122.820 0.044 0.000 2.594 388 A HA 0.671 4.999 4.320 0.015 0.000 0.296 388 A C -0.587 177.039 177.584 0.069 0.000 1.056 388 A CA -0.623 51.486 52.037 0.121 0.000 0.693 388 A CB 1.173 20.240 19.000 0.112 0.000 1.278 388 A HN 1.204 nan 8.150 nan 0.000 0.408 389 S N 0.003 115.743 115.700 0.067 0.000 2.588 389 S HA 0.905 5.383 4.470 0.015 0.000 0.275 389 S C -0.514 174.096 174.600 0.018 0.000 1.130 389 S CA -0.036 58.180 58.200 0.026 0.000 0.855 389 S CB 1.611 64.819 63.200 0.013 0.000 1.116 389 S HN 2.154 nan 8.310 nan 0.000 0.472 390 S N 0.124 115.825 115.700 0.002 0.000 2.532 390 S HA 0.755 5.234 4.470 0.015 0.000 0.299 390 S C -1.083 173.478 174.600 -0.064 0.000 1.105 390 S CA -0.764 57.428 58.200 -0.014 0.000 1.018 390 S CB 1.240 64.428 63.200 -0.021 0.000 1.021 390 S HN 0.918 nan 8.310 nan 0.000 0.483 391 V N 2.305 122.142 119.914 -0.128 0.000 2.376 391 V HA 0.734 4.863 4.120 0.015 0.000 0.287 391 V C 0.191 175.969 176.094 -0.528 0.000 1.015 391 V CA -0.665 61.406 62.300 -0.382 0.000 0.834 391 V CB 1.001 32.464 31.823 -0.599 0.000 1.001 391 V HN 1.166 nan 8.190 nan 0.000 0.428 392 A N 5.303 127.910 122.820 -0.354 0.000 2.294 392 A HA 0.617 4.946 4.320 0.015 0.000 0.316 392 A C -0.605 176.896 177.584 -0.138 0.000 1.359 392 A CA -0.448 51.440 52.037 -0.248 0.000 0.956 392 A CB 0.091 18.988 19.000 -0.171 0.000 1.155 392 A HN 0.825 nan 8.150 nan 0.000 0.544 393 W N 2.287 123.613 121.300 0.044 0.000 2.202 393 W HA 0.460 5.135 4.660 0.025 0.000 0.332 393 W C 1.122 177.728 176.519 0.145 0.000 1.263 393 W CA 0.089 57.520 57.345 0.143 0.000 1.223 393 W CB 1.028 30.632 29.460 0.240 0.000 1.128 393 W HN 0.873 nan 8.180 nan 0.000 0.573 394 G N 0.741 109.839 108.800 0.497 0.000 2.873 394 G HA2 0.262 4.231 3.960 0.015 0.000 0.170 394 G HA3 0.262 4.231 3.960 0.015 0.000 0.170 394 G C -0.618 174.499 174.900 0.362 0.000 1.608 394 G CA -0.434 44.903 45.100 0.395 0.000 1.084 394 G HN 0.322 nan 8.290 nan 0.000 0.563 395 T N 0.731 115.433 114.554 0.247 0.000 2.767 395 T HA 0.313 4.672 4.350 0.015 0.000 0.288 395 T C -1.117 173.706 174.700 0.206 0.000 0.963 395 T CA -0.093 62.144 62.100 0.229 0.000 1.019 395 T CB 0.904 69.843 68.868 0.118 0.000 0.923 395 T HN 0.285 nan 8.240 nan 0.000 0.468 396 W N 2.162 123.449 121.300 -0.023 0.000 2.315 396 W HA 0.571 5.238 4.660 0.012 0.000 0.316 396 W C 0.919 177.416 176.519 -0.036 0.000 1.211 396 W CA -0.402 56.888 57.345 -0.093 0.000 1.201 396 W CB 0.548 29.879 29.460 -0.215 0.000 1.184 396 W HN 0.838 nan 8.180 nan 0.000 0.544 397 G N 0.923 109.781 108.800 0.097 0.000 2.528 397 G HA2 0.424 4.393 3.960 0.015 0.000 0.289 397 G HA3 0.424 4.393 3.960 0.015 0.000 0.289 397 G C 0.100 175.056 174.900 0.092 0.000 1.192 397 G CA 0.069 45.213 45.100 0.073 0.000 0.921 397 G HN 0.702 nan 8.290 nan 0.000 0.512 398 E N -2.812 117.411 120.200 0.039 0.000 4.724 398 E HA -0.293 4.066 4.350 0.015 0.000 0.169 398 E C 0.608 177.221 176.600 0.021 0.000 1.223 398 E CA 1.937 58.351 56.400 0.022 0.000 2.386 398 E CB -1.563 28.150 29.700 0.022 0.000 1.790 398 E HN 1.031 nan 8.360 nan 0.000 0.449 399 V N -2.589 117.360 119.914 0.058 0.000 2.962 399 V HA 0.868 4.997 4.120 0.015 0.000 0.313 399 V C 0.281 176.339 176.094 -0.060 0.000 1.099 399 V CA 0.257 62.553 62.300 -0.007 0.000 0.971 399 V CB 1.761 33.573 31.823 -0.018 0.000 1.028 399 V HN 1.042 nan 8.190 nan 0.000 0.430 400 G N 2.543 111.274 108.800 -0.114 0.000 2.610 400 G HA2 -0.054 3.915 3.960 0.015 0.000 0.304 400 G HA3 -0.054 3.915 3.960 0.015 0.000 0.304 400 G C -0.297 174.545 174.900 -0.096 0.000 1.309 400 G CA -0.397 44.606 45.100 -0.162 0.000 0.906 400 G HN 1.329 nan 8.290 nan 0.000 0.521 409 D N 0.948 121.395 120.400 0.077 0.000 2.149 409 D HA -0.057 4.592 4.640 0.015 0.000 0.201 409 D C 2.017 178.291 176.300 -0.042 0.000 0.972 409 D CA 1.590 55.594 54.000 0.007 0.000 0.835 409 D CB 0.043 40.895 40.800 0.087 0.000 0.966 409 D HN 0.581 nan 8.370 nan 0.000 0.476 410 R N 0.452 120.945 120.500 -0.010 0.000 2.097 410 R HA -0.120 4.229 4.340 0.015 0.000 0.236 410 R C 2.531 178.826 176.300 -0.009 0.000 1.135 410 R CA 1.052 57.149 56.100 -0.006 0.000 0.934 410 R CB -0.981 29.326 30.300 0.012 0.000 0.846 410 R HN 0.162 nan 8.270 nan 0.000 0.431 411 L N 1.126 122.346 121.223 -0.005 0.000 1.989 411 L HA -0.197 4.152 4.340 0.015 0.000 0.211 411 L C 2.634 179.486 176.870 -0.030 0.000 1.071 411 L CA 1.257 56.113 54.840 0.026 0.000 0.749 411 L CB -0.502 41.590 42.059 0.055 0.000 0.890 411 L HN 0.051 nan 8.230 nan 0.000 0.431 412 V N -0.522 119.302 119.914 -0.151 0.000 2.332 412 V HA -0.282 3.847 4.120 0.015 0.000 0.248 412 V C 2.649 178.697 176.094 -0.077 0.000 1.055 412 V CA 1.599 63.806 62.300 -0.153 0.000 1.038 412 V CB -0.698 30.966 31.823 -0.265 0.000 0.651 412 V HN 0.408 nan 8.190 nan 0.000 0.450 413 R N -0.191 120.273 120.500 -0.060 0.000 2.189 413 R HA -0.100 4.249 4.340 0.015 0.000 0.223 413 R C 2.028 178.315 176.300 -0.020 0.000 1.092 413 R CA 1.042 57.122 56.100 -0.033 0.000 0.989 413 R CB -0.239 30.045 30.300 -0.027 0.000 0.876 413 R HN 0.631 nan 8.270 nan 0.000 0.457 414 Q N -1.049 118.748 119.800 -0.006 0.000 2.403 414 Q HA 0.107 4.455 4.340 0.015 0.000 0.203 414 Q C 0.568 176.607 176.000 0.065 0.000 0.932 414 Q CA 0.448 56.252 55.803 0.002 0.000 0.945 414 Q CB 0.823 29.572 28.738 0.017 0.000 1.045 414 Q HN 0.498 nan 8.270 nan 0.000 0.511 415 G N 0.236 109.052 108.800 0.028 0.000 2.144 415 G HA2 -0.213 3.756 3.960 0.015 0.000 0.218 415 G HA3 -0.213 3.756 3.960 0.015 0.000 0.218 415 G C 0.028 174.856 174.900 -0.121 0.000 0.988 415 G CA -0.127 44.958 45.100 -0.024 0.000 0.659 415 G HN 0.199 nan 8.290 nan 0.000 0.522 416 V N 2.735 122.617 119.914 -0.054 0.000 2.267 416 V HA 0.440 4.569 4.120 0.015 0.000 0.254 416 V C 1.055 177.102 176.094 -0.078 0.000 1.144 416 V CA -0.373 61.861 62.300 -0.110 0.000 0.992 416 V CB 0.610 32.468 31.823 0.059 0.000 1.199 416 V HN 0.349 nan 8.190 nan 0.000 0.493 417 L N 3.198 124.354 121.223 -0.111 0.000 2.418 417 L HA 0.584 4.933 4.340 0.015 0.000 0.265 417 L C 1.011 177.851 176.870 -0.050 0.000 1.143 417 L CA -0.350 54.442 54.840 -0.081 0.000 0.809 417 L CB 0.839 42.849 42.059 -0.082 0.000 1.124 417 L HN 0.601 nan 8.230 nan 0.000 0.456 418 A N 4.048 126.850 122.820 -0.030 0.000 2.492 418 A HA 0.373 4.702 4.320 0.015 0.000 0.254 418 A C 0.056 177.602 177.584 -0.064 0.000 1.091 418 A CA -0.194 51.843 52.037 -0.000 0.000 0.768 418 A CB -0.035 19.010 19.000 0.076 0.000 1.028 418 A HN 0.704 nan 8.150 nan 0.000 0.498 419 M N 2.311 121.833 119.600 -0.130 0.000 2.235 419 M HA 0.176 4.665 4.480 0.015 0.000 0.351 419 M C 0.248 176.363 176.300 -0.308 0.000 1.178 419 M CA 0.155 55.314 55.300 -0.234 0.000 1.143 419 M CB 0.756 33.132 32.600 -0.373 0.000 1.530 419 M HN 0.660 nan 8.290 nan 0.000 0.461 420 E N 2.876 122.876 120.200 -0.334 0.000 2.344 420 E HA 0.048 4.407 4.350 0.015 0.000 0.270 420 E C -1.858 174.473 176.600 -0.448 0.000 1.021 420 E CA -1.529 54.637 56.400 -0.390 0.000 0.887 420 E CB 0.369 29.710 29.700 -0.598 0.000 0.997 420 E HN 0.384 nan 8.360 nan 0.000 0.429 421 P HA -0.222 nan 4.420 nan 0.000 0.216 421 P C 1.024 178.146 177.300 -0.296 0.000 1.157 421 P CA 1.231 64.070 63.100 -0.435 0.000 0.880 421 P CB 0.293 31.969 31.700 -0.040 0.000 0.791 422 E N -1.583 118.526 120.200 -0.151 0.000 2.160 422 E HA -0.198 4.161 4.350 0.015 0.000 0.195 422 E C 1.972 178.621 176.600 0.081 0.000 0.991 422 E CA 1.309 57.699 56.400 -0.017 0.000 0.810 422 E CB -0.891 28.821 29.700 0.021 0.000 0.742 422 E HN 0.446 nan 8.360 nan 0.000 0.466 423 H N 0.206 119.191 119.070 -0.141 0.000 2.333 423 H HA 0.113 4.678 4.556 0.015 0.000 0.302 423 H C 1.956 177.217 175.328 -0.111 0.000 1.075 423 H CA 1.227 57.215 56.048 -0.101 0.000 1.348 423 H CB -0.644 29.058 29.762 -0.101 0.000 1.393 423 H HN 0.190 nan 8.280 nan 0.000 0.509 424 A N 0.904 123.629 122.820 -0.158 0.000 1.908 424 A HA -0.125 4.204 4.320 0.015 0.000 0.218 424 A C 2.523 180.142 177.584 0.057 0.000 1.181 424 A CA 1.427 53.342 52.037 -0.204 0.000 0.627 424 A CB -0.926 17.455 19.000 -1.033 0.000 0.818 424 A HN 0.330 nan 8.150 nan 0.000 0.445 425 L N -0.940 120.290 121.223 0.012 0.000 2.093 425 L HA -0.091 4.258 4.340 0.015 0.000 0.208 425 L C 2.761 179.729 176.870 0.164 0.000 1.085 425 L CA 0.982 55.931 54.840 0.181 0.000 0.755 425 L CB -0.660 41.486 42.059 0.145 0.000 0.904 425 L HN 0.503 nan 8.230 nan 0.000 0.435 426 G N -0.663 108.203 108.800 0.111 0.000 2.421 426 G HA2 -0.133 3.836 3.960 0.015 0.000 0.217 426 G HA3 -0.133 3.836 3.960 0.015 0.000 0.217 426 G C 1.759 176.713 174.900 0.091 0.000 1.143 426 G CA 0.687 45.841 45.100 0.091 0.000 0.784 426 G HN 0.437 nan 8.290 nan 0.000 0.541 427 A N 0.582 123.466 122.820 0.106 0.000 1.898 427 A HA 0.116 4.445 4.320 0.015 0.000 0.216 427 A C 2.297 179.958 177.584 0.129 0.000 1.181 427 A CA 1.503 53.602 52.037 0.104 0.000 0.620 427 A CB -0.411 18.663 19.000 0.123 0.000 0.819 427 A HN 0.415 nan 8.150 nan 0.000 0.442 428 L N 0.233 121.581 121.223 0.207 0.000 2.042 428 L HA -0.184 4.165 4.340 0.015 0.000 0.210 428 L C 1.574 178.551 176.870 0.179 0.000 1.076 428 L CA 2.536 57.502 54.840 0.209 0.000 0.749 428 L CB -0.699 41.584 42.059 0.374 0.000 0.893 428 L HN 0.325 nan 8.230 nan 0.000 0.432 429 D N -0.805 119.698 120.400 0.172 0.000 2.144 429 D HA -0.198 4.451 4.640 0.015 0.000 0.199 429 D C 2.203 178.563 176.300 0.099 0.000 0.984 429 D CA 1.184 55.269 54.000 0.141 0.000 0.834 429 D CB -0.054 40.818 40.800 0.119 0.000 0.955 429 D HN 0.558 nan 8.370 nan 0.000 0.465 430 Q N -0.213 119.633 119.800 0.076 0.000 2.084 430 Q HA -0.112 4.237 4.340 0.015 0.000 0.202 430 Q C 2.223 178.246 176.000 0.039 0.000 0.978 430 Q CA 0.866 56.696 55.803 0.045 0.000 0.844 430 Q CB -0.113 28.640 28.738 0.024 0.000 0.898 430 Q HN 0.316 nan 8.270 nan 0.000 0.426 431 M N 0.471 120.100 119.600 0.048 0.000 2.117 431 M HA -0.167 4.322 4.480 0.015 0.000 0.262 431 M C 1.813 178.143 176.300 0.048 0.000 1.065 431 M CA 1.435 56.755 55.300 0.033 0.000 1.114 431 M CB 0.060 32.678 32.600 0.029 0.000 1.361 431 M HN 0.220 nan 8.290 nan 0.000 0.408 432 L N -0.162 121.112 121.223 0.084 0.000 2.093 432 L HA -0.165 4.184 4.340 0.015 0.000 0.208 432 L C 2.394 179.309 176.870 0.075 0.000 1.085 432 L CA 0.851 55.748 54.840 0.095 0.000 0.755 432 L CB -0.740 41.412 42.059 0.155 0.000 0.904 432 L HN 0.277 nan 8.230 nan 0.000 0.435 433 E N 0.086 120.327 120.200 0.069 0.000 2.204 433 E HA -0.129 4.230 4.350 0.015 0.000 0.194 433 E C 1.611 178.230 176.600 0.033 0.000 0.989 433 E CA 0.675 57.106 56.400 0.052 0.000 0.824 433 E CB -0.209 29.519 29.700 0.046 0.000 0.756 433 E HN 0.461 nan 8.360 nan 0.000 0.477 434 N N 1.146 119.860 118.700 0.023 0.000 2.463 434 N HA -0.098 4.651 4.740 0.015 0.000 0.181 434 N C -0.082 175.434 175.510 0.010 0.000 1.078 434 N CA 0.487 53.542 53.050 0.008 0.000 0.902 434 N CB -0.025 38.456 38.487 -0.009 0.000 0.970 434 N HN 0.041 nan 8.380 nan 0.000 0.451 435 D N 0.932 121.345 120.400 0.022 0.000 2.708 435 D HA -0.166 4.483 4.640 0.015 0.000 0.236 435 D C -1.233 175.074 176.300 0.011 0.000 1.146 435 D CA 0.534 54.546 54.000 0.021 0.000 0.662 435 D CB -0.960 39.852 40.800 0.020 0.000 1.059 435 D HN 0.172 nan 8.370 nan 0.000 0.428 436 D N -0.917 119.487 120.400 0.007 0.000 2.372 436 D HA 0.115 4.764 4.640 0.015 0.000 0.243 436 D C 1.405 177.712 176.300 0.012 0.000 1.121 436 D CA 0.198 54.198 54.000 -0.000 0.000 0.898 436 D CB 1.014 41.804 40.800 -0.018 0.000 1.202 436 D HN 0.085 nan 8.370 nan 0.000 0.428 437 T N 0.146 114.711 114.554 0.018 0.000 2.978 437 T HA 0.218 4.577 4.350 0.015 0.000 0.262 437 T C 0.546 175.259 174.700 0.022 0.000 1.063 437 T CA 0.550 62.661 62.100 0.020 0.000 1.140 437 T CB 0.310 69.190 68.868 0.020 0.000 0.886 437 T HN 0.547 nan 8.240 nan 0.000 0.470 438 A N 0.177 123.020 122.820 0.038 0.000 2.520 438 A HA 0.855 5.184 4.320 0.015 0.000 0.298 438 A C -1.250 176.370 177.584 0.061 0.000 1.051 438 A CA -0.478 51.583 52.037 0.039 0.000 0.690 438 A CB 1.439 20.471 19.000 0.052 0.000 1.281 438 A HN 0.427 nan 8.150 nan 0.000 0.402 439 A N 0.311 123.152 122.820 0.034 0.000 2.612 439 A HA 0.933 5.262 4.320 0.015 0.000 0.293 439 A C -0.455 177.156 177.584 0.044 0.000 1.075 439 A CA 0.026 52.106 52.037 0.071 0.000 0.680 439 A CB 0.985 20.002 19.000 0.029 0.000 1.279 439 A HN 2.529 nan 8.150 nan 0.000 0.411 440 A N 0.733 123.637 122.820 0.141 0.000 2.305 440 A HA 0.774 5.103 4.320 0.015 0.000 0.322 440 A C -0.669 177.053 177.584 0.229 0.000 1.187 440 A CA -0.348 51.784 52.037 0.159 0.000 0.825 440 A CB 0.290 19.454 19.000 0.274 0.000 1.164 440 A HN 0.753 nan 8.150 nan 0.000 0.498 441 I N 2.085 122.768 120.570 0.189 0.000 2.420 441 I HA 0.467 4.646 4.170 0.015 0.000 0.282 441 I C -0.146 176.180 176.117 0.349 0.000 1.019 441 I CA -0.009 61.451 61.300 0.267 0.000 1.130 441 I CB 1.872 40.005 38.000 0.220 0.000 1.262 441 I HN 0.665 nan 8.210 nan 0.000 0.454 442 T N 6.359 121.101 114.554 0.313 0.000 3.012 442 T HA 0.409 4.768 4.350 0.015 0.000 0.330 442 T C -1.695 173.086 174.700 0.135 0.000 1.321 442 T CA -0.448 61.776 62.100 0.207 0.000 1.067 442 T CB 1.588 70.567 68.868 0.185 0.000 1.235 442 T HN 0.311 nan 8.240 nan 0.000 0.479 443 L N 5.809 127.048 121.223 0.026 0.000 2.260 443 L HA 0.684 5.033 4.340 0.015 0.000 0.289 443 L C -0.722 176.034 176.870 -0.189 0.000 1.057 443 L CA -0.139 54.686 54.840 -0.025 0.000 0.811 443 L CB 0.564 42.610 42.059 -0.022 0.000 1.184 443 L HN 0.622 nan 8.230 nan 0.000 0.429 444 M N 3.824 123.231 119.600 -0.321 0.000 2.364 444 M HA 0.330 4.819 4.480 0.015 0.000 0.334 444 M C -0.793 175.190 176.300 -0.527 0.000 1.107 444 M CA -0.571 54.285 55.300 -0.740 0.000 0.988 444 M CB 1.484 33.095 32.600 -1.649 0.000 1.673 444 M HN 0.476 nan 8.290 nan 0.000 0.441 445 D N 1.593 121.737 120.400 -0.427 0.000 2.443 445 D HA 0.197 4.846 4.640 0.015 0.000 0.221 445 D C 0.230 176.405 176.300 -0.208 0.000 1.097 445 D CA -0.207 53.669 54.000 -0.207 0.000 0.865 445 D CB 0.507 41.253 40.800 -0.090 0.000 1.034 445 D HN 0.532 nan 8.370 nan 0.000 0.511 446 W N 2.272 123.572 121.300 -0.001 0.000 2.425 446 W HA -0.047 4.620 4.660 0.013 0.000 0.277 446 W C 2.070 178.622 176.519 0.055 0.000 1.231 446 W CA 0.099 57.455 57.345 0.017 0.000 1.248 446 W CB 0.237 29.695 29.460 -0.003 0.000 1.117 446 W HN 0.451 nan 8.180 nan 0.000 0.568 447 E N 0.076 120.408 120.200 0.220 0.000 2.204 447 E HA -0.159 4.200 4.350 0.015 0.000 0.194 447 E C 1.982 178.646 176.600 0.107 0.000 0.989 447 E CA 1.348 57.836 56.400 0.147 0.000 0.824 447 E CB -0.224 29.536 29.700 0.100 0.000 0.756 447 E HN 0.228 nan 8.360 nan 0.000 0.477 448 M N -1.390 118.258 119.600 0.082 0.000 2.357 448 M HA 0.061 4.550 4.480 0.015 0.000 0.266 448 M C 1.657 177.995 176.300 0.062 0.000 1.095 448 M CA 0.605 55.935 55.300 0.050 0.000 1.156 448 M CB -0.048 32.563 32.600 0.018 0.000 1.365 448 M HN 0.130 nan 8.290 nan 0.000 0.447 449 F N 1.169 121.069 119.950 -0.084 0.000 2.128 449 F HA -0.034 4.503 4.527 0.017 0.000 0.295 449 F C 2.382 178.202 175.800 0.034 0.000 1.100 449 F CA 1.539 59.464 58.000 -0.126 0.000 1.260 449 F CB -0.233 38.506 39.000 -0.436 0.000 1.009 449 F HN 0.032 nan 8.300 nan 0.000 0.476 450 A N 0.660 123.687 122.820 0.346 0.000 1.877 450 A HA -0.087 4.242 4.320 0.015 0.000 0.216 450 A C -0.270 177.388 177.584 0.123 0.000 1.186 450 A CA 1.793 54.006 52.037 0.293 0.000 0.620 450 A CB -2.145 17.046 19.000 0.318 0.000 0.822 450 A HN 0.352 nan 8.150 nan 0.000 0.443 451 P HA -0.090 nan 4.420 nan 0.000 0.217 451 P C 1.732 179.028 177.300 -0.008 0.000 1.150 451 P CA 1.857 64.979 63.100 0.037 0.000 0.832 451 P CB -0.094 31.626 31.700 0.033 0.000 0.787 452 A N -1.019 121.772 122.820 -0.050 0.000 1.877 452 A HA -0.197 4.132 4.320 0.015 0.000 0.216 452 A C 2.118 179.630 177.584 -0.120 0.000 1.186 452 A CA 1.436 53.414 52.037 -0.099 0.000 0.620 452 A CB -1.839 17.080 19.000 -0.134 0.000 0.822 452 A HN 0.167 nan 8.150 nan 0.000 0.443 453 F N 1.587 121.315 119.950 -0.370 0.000 2.325 453 F HA -0.072 4.465 4.527 0.016 0.000 0.299 453 F C 2.203 177.904 175.800 -0.165 0.000 1.090 453 F CA 1.987 59.757 58.000 -0.382 0.000 1.392 453 F CB 0.004 38.627 39.000 -0.628 0.000 1.053 453 F HN 0.285 nan 8.300 nan 0.000 0.521 454 T N -2.600 111.961 114.554 0.010 0.000 3.145 454 T HA 0.418 4.777 4.350 0.015 0.000 0.255 454 T C 1.743 176.418 174.700 -0.041 0.000 1.039 454 T CA 0.254 62.351 62.100 -0.005 0.000 0.928 454 T CB -0.122 68.800 68.868 0.091 0.000 1.029 454 T HN 0.161 nan 8.240 nan 0.000 0.554 455 A N 2.595 125.374 122.820 -0.069 0.000 2.019 455 A HA -0.046 4.283 4.320 0.015 0.000 0.219 455 A C 2.249 179.801 177.584 -0.055 0.000 1.164 455 A CA 1.192 53.197 52.037 -0.053 0.000 0.644 455 A CB -0.376 18.586 19.000 -0.063 0.000 0.805 455 A HN 0.544 nan 8.150 nan 0.000 0.449 456 N N -0.838 117.814 118.700 -0.080 0.000 2.348 456 N HA 0.084 4.833 4.740 0.015 0.000 0.183 456 N C 0.336 175.814 175.510 -0.053 0.000 1.094 456 N CA 0.582 53.592 53.050 -0.067 0.000 0.885 456 N CB 0.387 38.821 38.487 -0.087 0.000 1.065 456 N HN 0.783 nan 8.380 nan 0.000 0.472 457 R N -0.023 120.441 120.500 -0.060 0.000 2.664 457 R HA 0.458 4.807 4.340 0.015 0.000 0.266 457 R C -3.257 173.034 176.300 -0.015 0.000 1.046 457 R CA -1.243 54.840 56.100 -0.029 0.000 0.885 457 R CB 1.067 31.356 30.300 -0.019 0.000 1.254 457 R HN -0.242 nan 8.270 nan 0.000 0.465 458 P HA 0.062 nan 4.420 nan 0.000 0.274 458 P C -0.742 176.605 177.300 0.080 0.000 1.246 458 P CA -0.416 62.713 63.100 0.049 0.000 0.795 458 P CB 1.110 32.840 31.700 0.050 0.000 1.006 459 S N -0.005 115.773 115.700 0.131 0.000 2.667 459 S HA 0.488 4.967 4.470 0.015 0.000 0.304 459 S C 1.022 175.707 174.600 0.141 0.000 1.135 459 S CA -0.343 57.977 58.200 0.198 0.000 1.125 459 S CB -0.077 63.360 63.200 0.395 0.000 0.996 459 S HN 0.447 nan 8.310 nan 0.000 0.474 460 A N 4.714 127.602 122.820 0.114 0.000 2.015 460 A HA 0.033 4.361 4.320 0.015 0.000 0.219 460 A C 1.875 179.488 177.584 0.048 0.000 1.163 460 A CA 0.973 53.053 52.037 0.072 0.000 0.646 460 A CB -0.560 18.484 19.000 0.073 0.000 0.806 460 A HN 0.818 nan 8.150 nan 0.000 0.448 461 L N -0.390 120.880 121.223 0.079 0.000 2.089 461 L HA -0.147 4.202 4.340 0.015 0.000 0.213 461 L C 1.894 178.750 176.870 -0.023 0.000 1.079 461 L CA 1.838 56.699 54.840 0.035 0.000 0.758 461 L CB -0.235 41.898 42.059 0.122 0.000 0.891 461 L HN 0.426 nan 8.230 nan 0.000 0.433 462 L N -1.170 120.050 121.223 -0.004 0.000 2.592 462 L HA 0.073 4.422 4.340 0.015 0.000 0.227 462 L C 2.268 179.057 176.870 -0.136 0.000 1.127 462 L CA 0.632 55.405 54.840 -0.112 0.000 0.884 462 L CB -0.472 41.552 42.059 -0.058 0.000 1.065 462 L HN 0.372 nan 8.230 nan 0.000 0.457 463 S N -1.079 114.578 115.700 -0.071 0.000 2.469 463 S HA -0.143 4.336 4.470 0.015 0.000 0.238 463 S C 1.694 176.240 174.600 -0.091 0.000 0.998 463 S CA 1.384 59.546 58.200 -0.063 0.000 0.957 463 S CB -0.689 62.497 63.200 -0.023 0.000 0.764 463 S HN 0.526 nan 8.310 nan 0.000 0.514 464 T N -0.684 113.799 114.554 -0.118 0.000 3.122 464 T HA 0.398 4.757 4.350 0.015 0.000 0.250 464 T C 0.175 174.775 174.700 -0.167 0.000 1.067 464 T CA -0.359 61.674 62.100 -0.112 0.000 0.966 464 T CB -0.039 68.769 68.868 -0.099 0.000 1.002 464 T HN 0.182 nan 8.240 nan 0.000 0.542 465 V N 3.605 123.350 119.914 -0.282 0.000 2.311 465 V HA 0.291 4.420 4.120 0.015 0.000 0.275 465 V C -1.629 174.268 176.094 -0.328 0.000 1.022 465 V CA -1.837 60.206 62.300 -0.428 0.000 0.830 465 V CB 1.564 32.820 31.823 -0.945 0.000 1.012 465 V HN 0.069 nan 8.190 nan 0.000 0.452 466 P HA -0.064 nan 4.420 nan 0.000 0.220 466 P C 1.178 178.411 177.300 -0.112 0.000 1.148 466 P CA 0.829 63.870 63.100 -0.099 0.000 0.803 466 P CB 0.503 32.183 31.700 -0.033 0.000 0.782 467 E N -0.244 119.857 120.200 -0.165 0.000 2.150 467 E HA -0.078 4.281 4.350 0.015 0.000 0.193 467 E C 2.090 178.629 176.600 -0.102 0.000 0.985 467 E CA 1.311 57.651 56.400 -0.100 0.000 0.814 467 E CB -0.848 28.843 29.700 -0.016 0.000 0.752 467 E HN 0.177 nan 8.360 nan 0.000 0.466 468 A N 0.413 123.037 122.820 -0.327 0.000 1.898 468 A HA -0.079 4.250 4.320 0.015 0.000 0.214 468 A C 2.412 179.962 177.584 -0.057 0.000 1.183 468 A CA 0.885 52.833 52.037 -0.148 0.000 0.622 468 A CB -0.571 18.227 19.000 -0.336 0.000 0.824 468 A HN 0.133 nan 8.150 nan 0.000 0.444 469 V N 0.224 120.081 119.914 -0.094 0.000 2.287 469 V HA -0.255 3.874 4.120 0.015 0.000 0.248 469 V C 2.784 178.872 176.094 -0.010 0.000 1.053 469 V CA 2.442 64.717 62.300 -0.041 0.000 1.027 469 V CB -0.923 30.871 31.823 -0.049 0.000 0.646 469 V HN 0.549 nan 8.190 nan 0.000 0.447 470 S N 0.147 115.841 115.700 -0.011 0.000 2.382 470 S HA -0.159 4.320 4.470 0.015 0.000 0.228 470 S C 2.190 176.810 174.600 0.033 0.000 1.027 470 S CA 1.374 59.581 58.200 0.012 0.000 0.991 470 S CB -0.493 62.715 63.200 0.015 0.000 0.823 470 S HN 0.666 nan 8.310 nan 0.000 0.469 471 A N 1.078 123.930 122.820 0.053 0.000 1.972 471 A HA 0.075 4.404 4.320 0.015 0.000 0.219 471 A C 1.910 179.530 177.584 0.059 0.000 1.169 471 A CA 0.975 53.058 52.037 0.075 0.000 0.635 471 A CB -0.499 18.579 19.000 0.130 0.000 0.810 471 A HN 0.482 nan 8.150 nan 0.000 0.446 472 L N 0.508 121.761 121.223 0.049 0.000 2.558 472 L HA 0.037 4.386 4.340 0.015 0.000 0.225 472 L C 1.589 178.476 176.870 0.029 0.000 1.128 472 L CA 0.293 55.158 54.840 0.042 0.000 0.868 472 L CB -0.368 41.717 42.059 0.043 0.000 1.006 472 L HN 0.517 nan 8.230 nan 0.000 0.454 473 S N 0.000 115.715 115.700 0.025 0.000 2.498 473 S HA 0.000 4.479 4.470 0.015 0.000 0.327 473 S CA 0.000 58.211 58.200 0.019 0.000 1.107 473 S CB 0.000 63.209 63.200 0.016 0.000 0.593 473 S HN 0.000 nan 8.310 nan 0.000 0.517