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_B 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 XDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSAL 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 0.000 174.516 174.600 -0.141 0.000 1.055 -2 S CA 0.000 58.146 58.200 -0.091 0.000 1.107 -2 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 -1 H N 2.820 121.793 119.070 -0.163 0.000 2.387 -1 H HA 0.105 4.665 4.556 0.006 0.000 0.299 -1 H C 1.955 177.171 175.328 -0.187 0.000 1.090 -1 H CA 2.769 58.692 56.048 -0.207 0.000 1.332 -1 H CB -0.089 29.410 29.762 -0.439 0.000 1.386 -1 H HN 0.601 nan 8.280 nan 0.000 0.516 0 M N -0.162 119.392 119.600 -0.076 0.000 2.099 0 M HA -0.161 4.322 4.480 0.006 0.000 0.262 0 M C 1.574 177.859 176.300 -0.025 0.000 1.067 0 M CA 1.356 56.632 55.300 -0.040 0.000 1.124 0 M CB 0.021 32.599 32.600 -0.035 0.000 1.353 0 M HN 0.206 nan 8.290 nan 0.000 0.410 1 D N 0.769 121.138 120.400 -0.051 0.000 2.149 1 D HA -0.117 4.526 4.640 0.006 0.000 0.198 1 D C 1.905 178.153 176.300 -0.086 0.000 0.990 1 D CA 1.629 55.587 54.000 -0.069 0.000 0.839 1 D CB -0.181 40.568 40.800 -0.086 0.000 0.948 1 D HN 0.356 nan 8.370 nan 0.000 0.460 2 A N 0.188 122.963 122.820 -0.075 0.000 2.121 2 A HA -0.045 4.278 4.320 0.006 0.000 0.218 2 A C 2.231 179.819 177.584 0.008 0.000 1.154 2 A CA 0.539 52.544 52.037 -0.053 0.000 0.679 2 A CB -0.469 18.499 19.000 -0.053 0.000 0.795 2 A HN 0.228 nan 8.150 nan 0.000 0.458 3 L N -1.102 120.142 121.223 0.035 0.000 2.341 3 L HA 0.060 4.403 4.340 0.006 0.000 0.214 3 L C 0.848 177.798 176.870 0.133 0.000 1.115 3 L CA 0.196 55.120 54.840 0.140 0.000 0.820 3 L CB -0.150 41.992 42.059 0.138 0.000 0.944 3 L HN 0.226 nan 8.230 nan 0.000 0.452 4 R N -0.261 120.206 120.500 -0.054 0.000 2.312 4 R HA 0.474 4.817 4.340 0.006 0.000 0.311 4 R C -1.440 174.728 176.300 -0.221 0.000 1.004 4 R CA -0.332 55.751 56.100 -0.028 0.000 0.902 4 R CB 1.048 31.322 30.300 -0.045 0.000 1.073 4 R HN -0.126 nan 8.270 nan 0.000 0.457 5 Y N 1.200 121.556 120.300 0.092 0.000 2.605 5 Y HA 0.400 4.953 4.550 0.005 0.000 0.343 5 Y C 0.388 176.414 175.900 0.209 0.000 1.036 5 Y CA -0.932 57.244 58.100 0.127 0.000 1.065 5 Y CB 1.655 40.171 38.460 0.093 0.000 1.288 5 Y HN 0.621 nan 8.280 nan 0.000 0.481 6 H N -0.549 118.623 119.070 0.171 0.000 3.017 6 H HA 0.478 5.036 4.556 0.003 0.000 0.346 6 H C -1.744 173.623 175.328 0.067 0.000 1.286 6 H CA -1.367 54.742 56.048 0.102 0.000 1.120 6 H CB 0.729 30.528 29.762 0.063 0.000 1.860 6 H HN 0.484 nan 8.280 nan 0.000 0.542 7 I N 2.041 122.544 120.570 -0.111 0.000 2.441 7 I HA 0.224 4.398 4.170 0.006 0.000 0.287 7 I C 0.518 176.411 176.117 -0.374 0.000 1.049 7 I CA 0.189 61.346 61.300 -0.239 0.000 1.381 7 I CB 0.525 38.461 38.000 -0.107 0.000 1.409 7 I HN 0.614 nan 8.210 nan 0.000 0.523 8 E N 4.599 124.547 120.200 -0.419 0.000 2.423 8 E HA 0.501 4.855 4.350 0.006 0.000 0.269 8 E C -1.737 174.649 176.600 -0.357 0.000 0.948 8 E CA -0.653 55.589 56.400 -0.262 0.000 0.802 8 E CB 2.120 31.682 29.700 -0.229 0.000 1.339 8 E HN 0.365 nan 8.360 nan 0.000 0.445 9 W N 0.836 122.101 121.300 -0.059 0.000 2.715 9 W HA 0.411 5.071 4.660 -0.000 0.000 0.331 9 W C -0.618 175.895 176.519 -0.010 0.000 1.031 9 W CA -0.432 56.899 57.345 -0.024 0.000 1.237 9 W CB 1.335 30.777 29.460 -0.029 0.000 1.378 9 W HN 0.237 nan 8.180 nan 0.000 0.454 10 N N 2.124 120.923 118.700 0.164 0.000 2.361 10 N HA 0.395 5.138 4.740 0.006 0.000 0.302 10 N C -0.576 175.013 175.510 0.133 0.000 1.074 10 N CA -1.085 52.032 53.050 0.113 0.000 0.850 10 N CB 1.700 40.218 38.487 0.052 0.000 1.228 10 N HN 0.366 nan 8.380 nan 0.000 0.491 11 R N 0.875 121.436 120.500 0.101 0.000 2.537 11 R HA 0.272 4.615 4.340 0.006 0.000 0.280 11 R C -0.270 176.076 176.300 0.077 0.000 1.058 11 R CA -0.308 55.845 56.100 0.089 0.000 1.057 11 R CB 0.217 30.554 30.300 0.063 0.000 0.973 11 R HN 0.442 nan 8.270 nan 0.000 0.438 12 V N 1.359 121.321 119.914 0.080 0.000 2.881 12 V HA 0.750 4.874 4.120 0.006 0.000 0.316 12 V C 0.096 176.222 176.094 0.054 0.000 1.070 12 V CA -1.069 61.273 62.300 0.069 0.000 0.976 12 V CB 1.498 33.371 31.823 0.083 0.000 1.038 12 V HN 0.965 nan 8.190 nan 0.000 0.446 13 A N 1.803 124.650 122.820 0.045 0.000 2.561 13 A HA 0.273 4.597 4.320 0.006 0.000 0.234 13 A C 0.577 178.180 177.584 0.033 0.000 1.055 13 A CA -0.042 52.017 52.037 0.035 0.000 0.756 13 A CB -0.362 18.657 19.000 0.031 0.000 0.986 13 A HN 0.914 nan 8.150 nan 0.000 0.505 14 E N 2.280 122.495 120.200 0.025 0.000 2.502 14 E HA 0.130 4.483 4.350 0.006 0.000 0.261 14 E C -1.700 174.908 176.600 0.014 0.000 0.974 14 E CA -0.669 55.741 56.400 0.017 0.000 0.936 14 E CB -0.141 29.566 29.700 0.012 0.000 0.926 14 E HN 0.566 nan 8.360 nan 0.000 0.459 15 P HA 0.187 nan 4.420 nan 0.000 0.277 15 P C 0.251 177.549 177.300 -0.004 0.000 1.271 15 P CA -0.522 62.578 63.100 0.001 0.000 0.795 15 P CB 0.503 32.194 31.700 -0.015 0.000 1.101 16 G N -0.829 107.967 108.800 -0.006 0.000 2.683 16 G HA2 0.297 4.260 3.960 0.006 0.000 0.260 16 G HA3 0.297 4.260 3.960 0.006 0.000 0.260 16 G C 0.854 175.743 174.900 -0.018 0.000 1.238 16 G CA 0.245 45.340 45.100 -0.009 0.000 0.934 16 G HN 0.614 nan 8.290 nan 0.000 0.534 17 T N -3.222 111.322 114.554 -0.018 0.000 3.040 17 T HA 0.522 4.875 4.350 0.006 0.000 0.250 17 T C 0.899 175.582 174.700 -0.027 0.000 1.058 17 T CA 0.569 62.657 62.100 -0.021 0.000 0.988 17 T CB 0.277 69.136 68.868 -0.015 0.000 0.993 17 T HN 0.808 nan 8.240 nan 0.000 0.519 18 A N 2.039 124.840 122.820 -0.031 0.000 2.309 18 A HA 0.689 5.013 4.320 0.006 0.000 0.298 18 A C 0.383 177.932 177.584 -0.059 0.000 1.165 18 A CA -1.021 50.991 52.037 -0.040 0.000 0.821 18 A CB 0.571 19.549 19.000 -0.037 0.000 1.102 18 A HN 0.538 nan 8.150 nan 0.000 0.500 19 R N 1.632 122.092 120.500 -0.065 0.000 2.652 19 R HA 0.386 4.730 4.340 0.006 0.000 0.271 19 R C -2.454 173.765 176.300 -0.136 0.000 1.129 19 R CA -1.497 54.550 56.100 -0.088 0.000 1.200 19 R CB -0.568 29.688 30.300 -0.074 0.000 1.146 19 R HN 0.413 nan 8.270 nan 0.000 0.581 20 P HA -0.042 nan 4.420 nan 0.000 0.266 20 P C -0.230 176.894 177.300 -0.293 0.000 1.195 20 P CA 0.331 63.191 63.100 -0.400 0.000 0.768 20 P CB 0.775 32.102 31.700 -0.622 0.000 0.838 21 A N 3.464 126.122 122.820 -0.270 0.000 1.897 21 A HA 0.108 4.431 4.320 0.006 0.000 0.215 21 A C 1.389 178.922 177.584 -0.086 0.000 1.181 21 A CA 1.656 53.618 52.037 -0.126 0.000 0.620 21 A CB -1.244 17.714 19.000 -0.070 0.000 0.821 21 A HN 0.622 nan 8.150 nan 0.000 0.443 22 G N -1.063 107.688 108.800 -0.082 0.000 2.588 22 G HA2 0.455 4.418 3.960 0.006 0.000 0.281 22 G HA3 0.455 4.418 3.960 0.006 0.000 0.281 22 G C -0.084 174.852 174.900 0.062 0.000 1.236 22 G CA -0.747 44.371 45.100 0.030 0.000 0.969 22 G HN 0.418 nan 8.290 nan 0.000 0.504 23 R N -0.829 119.739 120.500 0.113 0.000 2.349 23 R HA 0.370 4.714 4.340 0.006 0.000 0.299 23 R C -0.097 176.408 176.300 0.343 0.000 1.027 23 R CA -0.371 55.835 56.100 0.176 0.000 0.958 23 R CB 0.776 31.167 30.300 0.152 0.000 1.047 23 R HN 0.313 nan 8.270 nan 0.000 0.468 24 L N 3.667 125.038 121.223 0.246 0.000 2.399 24 L HA 0.368 4.712 4.340 0.006 0.000 0.266 24 L C -0.411 176.517 176.870 0.097 0.000 1.114 24 L CA -0.817 54.137 54.840 0.189 0.000 0.804 24 L CB 0.904 43.015 42.059 0.088 0.000 1.146 24 L HN 0.357 nan 8.230 nan 0.000 0.451 25 L N 2.487 123.615 121.223 -0.158 0.000 2.305 25 L HA 0.690 5.034 4.340 0.006 0.000 0.284 25 L C -0.277 176.484 176.870 -0.180 0.000 1.013 25 L CA -0.139 54.458 54.840 -0.406 0.000 0.819 25 L CB 1.284 42.731 42.059 -1.020 0.000 1.227 25 L HN 0.624 nan 8.230 nan 0.000 0.417 26 A N 5.083 127.842 122.820 -0.103 0.000 2.292 26 A HA 0.756 5.080 4.320 0.006 0.000 0.319 26 A C -1.040 176.519 177.584 -0.041 0.000 1.206 26 A CA -0.532 51.473 52.037 -0.053 0.000 0.835 26 A CB 1.130 20.105 19.000 -0.041 0.000 1.164 26 A HN 0.527 nan 8.150 nan 0.000 0.505 27 V N 4.238 124.136 119.914 -0.028 0.000 2.384 27 V HA 0.406 4.529 4.120 0.006 0.000 0.287 27 V C -0.304 175.742 176.094 -0.081 0.000 1.020 27 V CA -0.087 62.199 62.300 -0.023 0.000 0.850 27 V CB 0.978 32.812 31.823 0.020 0.000 0.987 27 V HN 0.747 nan 8.190 nan 0.000 0.436 28 I N 2.946 123.426 120.570 -0.149 0.000 2.530 28 I HA 0.415 4.589 4.170 0.006 0.000 0.297 28 I C 0.302 176.314 176.117 -0.175 0.000 1.011 28 I CA -0.355 60.854 61.300 -0.152 0.000 1.107 28 I CB 2.170 40.077 38.000 -0.155 0.000 1.285 28 I HN 0.543 nan 8.210 nan 0.000 0.436 29 S N 6.507 122.146 115.700 -0.101 0.000 2.411 29 S HA 0.339 4.812 4.470 0.006 0.000 0.294 29 S C -1.472 173.097 174.600 -0.052 0.000 1.115 29 S CA -1.571 56.600 58.200 -0.049 0.000 1.071 29 S CB 0.773 64.010 63.200 0.063 0.000 0.967 29 S HN 0.396 nan 8.310 nan 0.000 0.488 30 P HA 0.000 nan 4.420 nan 0.000 0.223 30 P C 0.206 177.433 177.300 -0.121 0.000 1.151 30 P CA 0.815 63.847 63.100 -0.114 0.000 0.787 30 P CB 0.122 31.745 31.700 -0.127 0.000 0.788 31 D N -1.377 118.939 120.400 -0.141 0.000 2.340 31 D HA -0.007 4.637 4.640 0.006 0.000 0.220 31 D C 0.068 176.005 176.300 -0.604 0.000 1.039 31 D CA 0.617 54.415 54.000 -0.337 0.000 0.866 31 D CB -0.355 40.216 40.800 -0.382 0.000 0.913 31 D HN 0.422 nan 8.370 nan 0.000 0.523 32 H N -0.873 118.162 119.070 -0.057 0.000 2.947 32 H HA 0.462 5.022 4.556 0.006 0.000 0.222 32 H C 0.181 175.448 175.328 -0.102 0.000 1.414 32 H CA -0.185 55.831 56.048 -0.054 0.000 1.224 32 H CB 0.981 30.731 29.762 -0.021 0.000 2.100 32 H HN 0.006 nan 8.280 nan 0.000 0.524 33 A N 0.112 122.893 122.820 -0.065 0.000 2.571 33 A HA 0.403 4.727 4.320 0.006 0.000 0.274 33 A C 1.890 179.390 177.584 -0.140 0.000 1.196 33 A CA 0.395 52.356 52.037 -0.126 0.000 0.957 33 A CB 0.135 19.063 19.000 -0.121 0.000 1.150 33 A HN 0.548 nan 8.150 nan 0.000 0.539 34 G N -0.482 108.254 108.800 -0.107 0.000 2.921 34 G HA2 0.414 4.377 3.960 0.006 0.000 0.213 34 G HA3 0.414 4.377 3.960 0.006 0.000 0.213 34 G C 0.784 175.634 174.900 -0.083 0.000 1.143 34 G CA 0.703 45.752 45.100 -0.085 0.000 0.764 34 G HN 0.725 nan 8.290 nan 0.000 0.542 35 A N 1.113 123.864 122.820 -0.115 0.000 2.483 35 A HA 0.505 4.829 4.320 0.006 0.000 0.238 35 A C -0.563 176.964 177.584 -0.095 0.000 1.070 35 A CA -0.718 51.277 52.037 -0.071 0.000 0.770 35 A CB 0.732 19.703 19.000 -0.047 0.000 1.008 35 A HN 0.080 nan 8.150 nan 0.000 0.497 36 P HA -0.189 nan 4.420 nan 0.000 0.216 36 P C 1.559 178.907 177.300 0.081 0.000 1.153 36 P CA 2.018 65.149 63.100 0.052 0.000 0.858 36 P CB -0.225 31.530 31.700 0.093 0.000 0.789 37 W N -0.689 120.619 121.300 0.013 0.000 2.425 37 W HA -0.025 4.640 4.660 0.008 0.000 0.277 37 W C 1.245 177.772 176.519 0.013 0.000 1.231 37 W CA 0.402 57.755 57.345 0.013 0.000 1.248 37 W CB -1.724 27.748 29.460 0.020 0.000 1.117 37 W HN -0.233 nan 8.180 nan 0.000 0.568 38 V N 2.809 122.258 119.914 -0.774 0.000 2.307 38 V HA -0.329 3.795 4.120 0.006 0.000 0.245 38 V C 2.974 178.890 176.094 -0.297 0.000 1.045 38 V CA 3.434 65.289 62.300 -0.741 0.000 1.024 38 V CB -1.434 29.924 31.823 -0.776 0.000 0.651 38 V HN 0.379 nan 8.190 nan 0.000 0.449 39 T N -0.985 113.451 114.554 -0.196 0.000 2.821 39 T HA -0.112 4.242 4.350 0.006 0.000 0.267 39 T C 1.905 176.575 174.700 -0.051 0.000 1.046 39 T CA 1.453 63.492 62.100 -0.103 0.000 1.139 39 T CB -0.442 68.382 68.868 -0.073 0.000 0.871 39 T HN 0.448 nan 8.240 nan 0.000 0.454 40 A N 0.989 123.803 122.820 -0.010 0.000 1.930 40 A HA 0.134 4.458 4.320 0.006 0.000 0.217 40 A C 2.615 180.216 177.584 0.028 0.000 1.175 40 A CA 1.365 53.418 52.037 0.026 0.000 0.627 40 A CB -0.989 18.054 19.000 0.072 0.000 0.815 40 A HN 0.410 nan 8.150 nan 0.000 0.443 41 V N 0.116 120.054 119.914 0.040 0.000 2.307 41 V HA -0.237 3.887 4.120 0.006 0.000 0.245 41 V C 2.557 178.647 176.094 -0.007 0.000 1.045 41 V CA 1.896 64.222 62.300 0.043 0.000 1.024 41 V CB -0.733 31.143 31.823 0.088 0.000 0.651 41 V HN 0.573 nan 8.190 nan 0.000 0.449 42 L N 0.043 121.240 121.223 -0.043 0.000 2.079 42 L HA -0.219 4.125 4.340 0.006 0.000 0.210 42 L C 2.372 179.225 176.870 -0.029 0.000 1.081 42 L CA 1.972 56.785 54.840 -0.045 0.000 0.752 42 L CB -0.645 41.372 42.059 -0.069 0.000 0.896 42 L HN 0.394 nan 8.230 nan 0.000 0.433 43 D N -0.041 120.344 120.400 -0.024 0.000 2.144 43 D HA -0.155 4.488 4.640 0.006 0.000 0.200 43 D C 2.137 178.430 176.300 -0.011 0.000 0.978 43 D CA 1.255 55.245 54.000 -0.016 0.000 0.833 43 D CB 0.174 40.967 40.800 -0.012 0.000 0.961 43 D HN 0.252 nan 8.370 nan 0.000 0.470 44 A N 0.031 122.847 122.820 -0.007 0.000 1.969 44 A HA -0.048 4.275 4.320 0.006 0.000 0.218 44 A C 2.326 179.900 177.584 -0.016 0.000 1.169 44 A CA 0.853 52.885 52.037 -0.008 0.000 0.635 44 A CB -0.685 18.314 19.000 -0.001 0.000 0.810 44 A HN 0.365 nan 8.150 nan 0.000 0.445 45 L N -1.070 120.143 121.223 -0.016 0.000 2.275 45 L HA 0.176 4.520 4.340 0.006 0.000 0.215 45 L C 1.348 178.210 176.870 -0.014 0.000 1.119 45 L CA 0.394 55.223 54.840 -0.017 0.000 0.790 45 L CB -1.264 40.786 42.059 -0.015 0.000 0.919 45 L HN 0.614 nan 8.230 nan 0.000 0.443 46 G N 0.097 108.889 108.800 -0.013 0.000 2.730 46 G HA2 -0.163 3.800 3.960 0.006 0.000 0.686 46 G HA3 -0.163 3.800 3.960 0.006 0.000 0.686 46 G C -2.148 172.749 174.900 -0.005 0.000 1.343 46 G CA -0.318 44.776 45.100 -0.010 0.000 0.826 46 G HN 0.034 nan 8.290 nan 0.000 0.582 47 P HA 0.085 nan 4.420 nan 0.000 0.236 47 P C 0.658 177.962 177.300 0.008 0.000 1.177 47 P CA 1.280 64.379 63.100 -0.001 0.000 0.773 47 P CB 0.205 31.902 31.700 -0.004 0.000 0.878 48 D N -0.742 119.664 120.400 0.011 0.000 2.347 48 D HA -0.013 4.630 4.640 0.006 0.000 0.213 48 D C 0.398 176.724 176.300 0.044 0.000 0.985 48 D CA 0.702 54.716 54.000 0.023 0.000 0.879 48 D CB -0.531 40.279 40.800 0.017 0.000 0.919 48 D HN 0.071 nan 8.370 nan 0.000 0.526 49 T N 0.780 115.356 114.554 0.037 0.000 2.888 49 T HA 0.136 4.490 4.350 0.006 0.000 0.301 49 T C 0.340 175.073 174.700 0.055 0.000 1.001 49 T CA -0.256 61.874 62.100 0.050 0.000 1.147 49 T CB 1.153 70.033 68.868 0.021 0.000 0.931 49 T HN -0.229 nan 8.240 nan 0.000 0.541 50 V N 5.678 125.646 119.914 0.091 0.000 2.649 50 V HA 0.310 4.434 4.120 0.006 0.000 0.292 50 V C 0.650 176.753 176.094 0.015 0.000 1.055 50 V CA -0.303 62.047 62.300 0.084 0.000 1.023 50 V CB 0.792 32.731 31.823 0.192 0.000 0.992 50 V HN 0.728 nan 8.190 nan 0.000 0.480 51 R N 3.669 124.181 120.500 0.020 0.000 2.562 51 R HA 0.558 4.901 4.340 0.006 0.000 0.298 51 R C -1.210 175.116 176.300 0.045 0.000 0.961 51 R CA -0.460 55.641 56.100 0.001 0.000 0.881 51 R CB 2.135 32.419 30.300 -0.026 0.000 1.159 51 R HN 0.676 nan 8.270 nan 0.000 0.450 52 F N 1.935 121.802 119.950 -0.138 0.000 2.477 52 F HA 0.304 4.834 4.527 0.005 0.000 0.335 52 F C -0.423 175.261 175.800 -0.195 0.000 1.130 52 F CA -0.662 57.239 58.000 -0.165 0.000 0.948 52 F CB 1.565 40.442 39.000 -0.204 0.000 1.154 52 F HN 0.428 nan 8.300 nan 0.000 0.439 53 E N 5.275 125.028 120.200 -0.745 0.000 2.105 53 E HA 0.414 4.768 4.350 0.006 0.000 0.285 53 E C -0.667 175.220 176.600 -1.187 0.000 1.055 53 E CA -0.638 55.331 56.400 -0.718 0.000 0.843 53 E CB 1.310 30.775 29.700 -0.392 0.000 1.067 53 E HN 0.648 nan 8.360 nan 0.000 0.398 54 A N 5.055 127.243 122.820 -1.053 0.000 2.391 54 A HA 0.168 4.492 4.320 0.006 0.000 0.316 54 A C -0.100 177.188 177.584 -0.492 0.000 1.381 54 A CA -0.468 50.798 52.037 -1.284 0.000 0.998 54 A CB 0.132 18.343 19.000 -1.315 0.000 1.147 54 A HN 0.459 nan 8.150 nan 0.000 0.545 55 K N 2.157 122.469 120.400 -0.147 0.000 2.183 55 K HA 0.522 4.846 4.320 0.006 0.000 0.274 55 K C 1.015 177.870 176.600 0.426 0.000 1.009 55 K CA 0.590 56.952 56.287 0.126 0.000 0.888 55 K CB 1.448 33.997 32.500 0.082 0.000 1.078 55 K HN 1.182 nan 8.250 nan 0.000 0.459 56 G N 2.091 111.060 108.800 0.281 0.000 2.566 56 G HA2 -0.314 3.650 3.960 0.006 0.000 0.280 56 G HA3 -0.314 3.650 3.960 0.006 0.000 0.280 56 G C -0.293 174.799 174.900 0.320 0.000 1.225 56 G CA 0.284 45.525 45.100 0.234 0.000 0.966 56 G HN 0.653 nan 8.290 nan 0.000 0.560 57 T N -2.825 111.783 114.554 0.090 0.000 3.296 57 T HA 0.539 4.892 4.350 0.006 0.000 0.333 57 T C -1.134 173.336 174.700 -0.384 0.000 1.280 57 T CA 0.403 62.414 62.100 -0.147 0.000 1.558 57 T CB 1.488 70.440 68.868 0.139 0.000 0.929 57 T HN 0.795 nan 8.240 nan 0.000 0.596 58 D N 1.398 121.283 120.400 -0.858 0.000 2.363 58 D HA 0.268 4.911 4.640 0.006 0.000 0.258 58 D C 1.108 176.925 176.300 -0.805 0.000 1.259 58 D CA -0.717 52.929 54.000 -0.590 0.000 0.921 58 D CB 1.374 42.005 40.800 -0.283 0.000 1.201 58 D HN 0.414 nan 8.370 nan 0.000 0.524 59 R N 2.336 122.500 120.500 -0.560 0.000 2.094 59 R HA -0.206 4.138 4.340 0.006 0.000 0.239 59 R C 1.675 177.888 176.300 -0.145 0.000 1.137 59 R CA 2.139 58.034 56.100 -0.342 0.000 0.943 59 R CB 0.025 30.209 30.300 -0.194 0.000 0.850 59 R HN 0.361 nan 8.270 nan 0.000 0.433 60 A N 0.339 123.094 122.820 -0.108 0.000 1.930 60 A HA -0.050 4.274 4.320 0.006 0.000 0.217 60 A C 2.318 179.918 177.584 0.026 0.000 1.175 60 A CA 1.574 53.595 52.037 -0.026 0.000 0.627 60 A CB -0.641 18.344 19.000 -0.024 0.000 0.815 60 A HN 0.577 nan 8.150 nan 0.000 0.443 61 A N -1.206 121.624 122.820 0.016 0.000 1.898 61 A HA -0.082 4.241 4.320 0.006 0.000 0.216 61 A C 1.914 179.693 177.584 0.324 0.000 1.181 61 A CA 1.400 53.518 52.037 0.136 0.000 0.620 61 A CB -0.726 18.357 19.000 0.139 0.000 0.819 61 A HN 0.720 nan 8.150 nan 0.000 0.442 62 W N -0.279 121.090 121.300 0.116 0.000 2.436 62 W HA 0.152 4.815 4.660 0.006 0.000 0.284 62 W C 2.691 179.225 176.519 0.025 0.000 1.225 62 W CA 0.143 57.581 57.345 0.155 0.000 1.271 62 W CB -1.261 28.324 29.460 0.208 0.000 1.114 62 W HN 0.420 nan 8.180 nan 0.000 0.559 63 A N 0.896 123.855 122.820 0.231 0.000 1.908 63 A HA -0.084 4.240 4.320 0.006 0.000 0.218 63 A C 2.277 179.905 177.584 0.072 0.000 1.181 63 A CA 2.976 55.075 52.037 0.103 0.000 0.627 63 A CB -1.130 17.906 19.000 0.060 0.000 0.818 63 A HN 0.139 nan 8.150 nan 0.000 0.445 64 A N -0.962 121.915 122.820 0.095 0.000 1.930 64 A HA -0.168 4.156 4.320 0.006 0.000 0.217 64 A C 2.102 179.730 177.584 0.073 0.000 1.175 64 A CA 1.602 53.684 52.037 0.075 0.000 0.627 64 A CB -0.497 18.551 19.000 0.080 0.000 0.815 64 A HN 0.665 nan 8.150 nan 0.000 0.443 65 Q N -0.423 119.446 119.800 0.114 0.000 2.119 65 Q HA -0.037 4.307 4.340 0.006 0.000 0.201 65 Q C 2.016 177.976 176.000 -0.067 0.000 0.972 65 Q CA 1.310 57.168 55.803 0.091 0.000 0.847 65 Q CB -0.301 28.602 28.738 0.275 0.000 0.903 65 Q HN 0.667 nan 8.270 nan 0.000 0.433 66 L N 0.146 121.262 121.223 -0.178 0.000 2.027 66 L HA -0.172 4.172 4.340 0.006 0.000 0.206 66 L C 2.541 179.369 176.870 -0.069 0.000 1.074 66 L CA 0.954 55.645 54.840 -0.249 0.000 0.745 66 L CB -0.648 41.252 42.059 -0.266 0.000 0.898 66 L HN 0.218 nan 8.230 nan 0.000 0.433 67 A N -0.405 122.402 122.820 -0.022 0.000 1.917 67 A HA -0.328 3.996 4.320 0.006 0.000 0.219 67 A C 2.209 179.806 177.584 0.021 0.000 1.182 67 A CA 2.163 54.206 52.037 0.009 0.000 0.633 67 A CB -0.581 18.429 19.000 0.016 0.000 0.819 67 A HN 0.419 nan 8.150 nan 0.000 0.448 68 Q N -0.104 119.710 119.800 0.022 0.000 2.050 68 Q HA -0.079 4.264 4.340 0.006 0.000 0.202 68 Q C 1.889 177.918 176.000 0.047 0.000 0.980 68 Q CA 1.803 57.626 55.803 0.034 0.000 0.840 68 Q CB -0.507 28.256 28.738 0.042 0.000 0.898 68 Q HN 0.665 nan 8.270 nan 0.000 0.424 69 L N -0.068 121.189 121.223 0.056 0.000 2.079 69 L HA -0.175 4.168 4.340 0.006 0.000 0.210 69 L C 2.465 179.439 176.870 0.172 0.000 1.081 69 L CA 1.452 56.367 54.840 0.124 0.000 0.752 69 L CB -0.344 41.786 42.059 0.118 0.000 0.896 69 L HN 0.174 nan 8.230 nan 0.000 0.433 70 R N 0.374 120.959 120.500 0.141 0.000 2.193 70 R HA -0.160 4.184 4.340 0.006 0.000 0.213 70 R C 1.947 178.248 176.300 0.002 0.000 1.055 70 R CA 1.137 57.302 56.100 0.108 0.000 0.995 70 R CB -0.081 30.283 30.300 0.106 0.000 0.893 70 R HN 0.324 nan 8.270 nan 0.000 0.459 71 E N 0.462 120.669 120.200 0.012 0.000 2.016 71 E HA -0.095 4.258 4.350 0.006 0.000 0.190 71 E C 0.076 176.665 176.600 -0.019 0.000 0.985 71 E CA 1.610 58.009 56.400 -0.002 0.000 0.802 71 E CB 0.028 29.735 29.700 0.011 0.000 0.762 71 E HN 0.284 nan 8.360 nan 0.000 0.448 72 D N 0.536 120.932 120.400 -0.006 0.000 3.072 72 D HA 0.090 4.734 4.640 0.006 0.000 0.250 72 D C 0.042 176.317 176.300 -0.043 0.000 1.304 72 D CA 0.123 54.115 54.000 -0.013 0.000 0.861 72 D CB 0.552 41.362 40.800 0.016 0.000 1.062 72 D HN 0.237 nan 8.370 nan 0.000 0.481 73 E N -0.583 119.538 120.200 -0.132 0.000 2.646 73 E HA 0.198 4.552 4.350 0.006 0.000 0.207 73 E C 1.138 177.552 176.600 -0.310 0.000 0.922 73 E CA 0.128 56.373 56.400 -0.258 0.000 1.482 73 E CB 1.299 30.716 29.700 -0.472 0.000 1.509 73 E HN 0.279 nan 8.360 nan 0.000 0.831 74 G N 3.130 111.783 108.800 -0.245 0.000 2.698 74 G HA2 -0.301 3.662 3.960 0.006 0.000 0.233 74 G HA3 -0.301 3.662 3.960 0.006 0.000 0.233 74 G C -0.197 174.514 174.900 -0.316 0.000 1.352 74 G CA 0.039 45.023 45.100 -0.193 0.000 0.879 74 G HN 0.250 nan 8.290 nan 0.000 0.567 75 E N -0.598 119.482 120.200 -0.198 0.000 2.452 75 E HA 0.394 4.747 4.350 0.006 0.000 0.261 75 E C -0.196 176.238 176.600 -0.276 0.000 0.987 75 E CA -0.131 56.176 56.400 -0.155 0.000 0.926 75 E CB 0.277 29.951 29.700 -0.044 0.000 0.934 75 E HN 0.422 nan 8.360 nan 0.000 0.452 76 F N 1.288 121.251 119.950 0.021 0.000 2.380 76 F HA 0.084 4.614 4.527 0.006 0.000 0.325 76 F C 1.871 177.710 175.800 0.066 0.000 1.136 76 F CA -0.242 57.785 58.000 0.045 0.000 1.171 76 F CB 0.804 39.823 39.000 0.031 0.000 1.230 76 F HN 0.672 nan 8.300 nan 0.000 0.554 77 H N 1.122 120.314 119.070 0.204 0.000 2.395 77 H HA 0.296 4.855 4.556 0.005 0.000 0.299 77 H C -0.164 175.256 175.328 0.153 0.000 1.070 77 H CA 1.191 57.319 56.048 0.133 0.000 1.356 77 H CB 0.317 30.137 29.762 0.096 0.000 1.401 77 H HN 0.575 nan 8.280 nan 0.000 0.524 78 A N 0.121 123.048 122.820 0.179 0.000 2.608 78 A HA 0.471 4.795 4.320 0.006 0.000 0.292 78 A C -1.496 176.157 177.584 0.114 0.000 1.066 78 A CA -0.532 51.590 52.037 0.140 0.000 0.676 78 A CB 1.383 20.528 19.000 0.242 0.000 1.277 78 A HN 0.012 nan 8.150 nan 0.000 0.413 79 V N 1.083 121.043 119.914 0.078 0.000 2.370 79 V HA 0.524 4.647 4.120 0.006 0.000 0.283 79 V C -0.479 175.655 176.094 0.066 0.000 1.023 79 V CA -0.512 61.783 62.300 -0.007 0.000 0.857 79 V CB 1.339 33.131 31.823 -0.052 0.000 0.985 79 V HN 0.681 nan 8.190 nan 0.000 0.443 80 V N 3.955 123.892 119.914 0.039 0.000 2.313 80 V HA 0.358 4.481 4.120 0.006 0.000 0.278 80 V C 0.371 176.498 176.094 0.055 0.000 1.017 80 V CA -0.225 62.121 62.300 0.076 0.000 0.823 80 V CB 1.537 33.383 31.823 0.039 0.000 1.010 80 V HN 0.867 nan 8.190 nan 0.000 0.443 81 S N 5.212 120.963 115.700 0.085 0.000 2.489 81 S HA 0.464 4.937 4.470 0.006 0.000 0.277 81 S C 0.344 175.013 174.600 0.115 0.000 1.230 81 S CA -0.590 57.658 58.200 0.080 0.000 1.053 81 S CB 0.707 63.966 63.200 0.098 0.000 0.955 81 S HN 0.500 nan 8.310 nan 0.000 0.488 82 L N 6.015 127.277 121.223 0.065 0.000 2.818 82 L HA 0.340 4.684 4.340 0.006 0.000 0.243 82 L C 1.350 178.259 176.870 0.065 0.000 1.185 82 L CA 0.507 55.377 54.840 0.051 0.000 0.988 82 L CB -1.035 40.944 42.059 -0.133 0.000 1.292 82 L HN 0.694 nan 8.230 nan 0.000 0.519 83 L N 0.039 121.317 121.223 0.092 0.000 2.265 83 L HA -0.113 4.231 4.340 0.006 0.000 0.215 83 L C 2.566 179.518 176.870 0.138 0.000 1.117 83 L CA 0.967 55.860 54.840 0.089 0.000 0.782 83 L CB -0.554 41.562 42.059 0.095 0.000 0.914 83 L HN 0.335 nan 8.230 nan 0.000 0.441 84 A N 0.383 123.336 122.820 0.222 0.000 2.070 84 A HA -0.131 4.193 4.320 0.006 0.000 0.220 84 A C 2.526 180.275 177.584 0.275 0.000 1.159 84 A CA 1.446 53.633 52.037 0.250 0.000 0.656 84 A CB -0.497 18.686 19.000 0.305 0.000 0.800 84 A HN 0.399 nan 8.150 nan 0.000 0.453 85 A N -0.286 122.724 122.820 0.317 0.000 2.070 85 A HA 0.330 4.653 4.320 0.006 0.000 0.220 85 A C 1.517 179.143 177.584 0.070 0.000 1.159 85 A CA 1.045 53.240 52.037 0.263 0.000 0.656 85 A CB -0.738 18.298 19.000 0.060 0.000 0.800 85 A HN 1.118 nan 8.150 nan 0.000 0.453 86 A N 0.370 123.158 122.820 -0.053 0.000 2.666 86 A HA 0.418 4.741 4.320 0.006 0.000 0.301 86 A C 0.626 178.053 177.584 -0.261 0.000 1.470 86 A CA -0.191 51.585 52.037 -0.435 0.000 1.159 86 A CB -0.268 18.528 19.000 -0.339 0.000 1.116 86 A HN 0.542 nan 8.150 nan 0.000 0.548 87 E N 1.995 122.062 120.200 -0.220 0.000 2.415 87 E HA 0.148 4.502 4.350 0.006 0.000 0.197 87 E C 0.988 177.550 176.600 -0.063 0.000 1.007 87 E CA 0.239 56.602 56.400 -0.063 0.000 0.890 87 E CB 0.349 30.055 29.700 0.009 0.000 0.891 87 E HN 0.819 nan 8.360 nan 0.000 0.496 88 A N 1.521 124.273 122.820 -0.113 0.000 2.520 88 A HA 0.129 4.452 4.320 0.006 0.000 0.235 88 A C 0.200 177.786 177.584 0.004 0.000 1.065 88 A CA -0.038 51.993 52.037 -0.011 0.000 0.764 88 A CB 0.080 19.121 19.000 0.068 0.000 1.002 88 A HN 0.165 nan 8.150 nan 0.000 0.502 89 L N 2.555 123.800 121.223 0.038 0.000 2.439 89 L HA 0.102 4.446 4.340 0.006 0.000 0.269 89 L C 1.211 178.146 176.870 0.108 0.000 1.179 89 L CA -0.355 54.526 54.840 0.069 0.000 0.828 89 L CB 0.248 42.342 42.059 0.057 0.000 1.106 89 L HN 0.773 nan 8.230 nan 0.000 0.467 90 H N 1.542 120.646 119.070 0.058 0.000 2.848 90 H HA -0.035 4.524 4.556 0.005 0.000 0.341 90 H C 1.040 176.395 175.328 0.045 0.000 1.060 90 H CA 0.573 56.670 56.048 0.081 0.000 1.444 90 H CB 1.467 31.317 29.762 0.147 0.000 1.446 90 H HN 0.826 nan 8.280 nan 0.000 0.583 91 T N 0.743 115.339 114.554 0.070 0.000 2.849 91 T HA -0.149 4.205 4.350 0.006 0.000 0.270 91 T C 0.813 175.582 174.700 0.115 0.000 1.066 91 T CA 1.589 63.736 62.100 0.079 0.000 1.130 91 T CB 0.157 69.022 68.868 -0.005 0.000 0.864 91 T HN 0.553 nan 8.240 nan 0.000 0.481 92 D N 0.357 120.907 120.400 0.250 0.000 2.398 92 D HA 0.091 4.734 4.640 0.006 0.000 0.210 92 D C -0.056 175.881 176.300 -0.607 0.000 1.094 92 D CA 0.165 54.038 54.000 -0.212 0.000 0.839 92 D CB 0.215 40.786 40.800 -0.383 0.000 0.963 92 D HN 0.569 nan 8.370 nan 0.000 0.506 93 H N -0.317 118.777 119.070 0.039 0.000 2.808 93 H HA 0.281 4.840 4.556 0.006 0.000 0.268 93 H C 1.122 176.460 175.328 0.017 0.000 1.306 93 H CA -0.360 55.653 56.048 -0.058 0.000 1.565 93 H CB 1.045 30.670 29.762 -0.228 0.000 1.632 93 H HN -0.049 nan 8.280 nan 0.000 0.525 94 G N 0.945 109.793 108.800 0.080 0.000 2.776 94 G HA2 -0.128 3.835 3.960 0.006 0.000 0.209 94 G HA3 -0.128 3.835 3.960 0.006 0.000 0.209 94 G C 0.885 175.809 174.900 0.040 0.000 1.145 94 G CA 0.249 45.387 45.100 0.064 0.000 0.791 94 G HN 0.344 nan 8.290 nan 0.000 0.530 95 S N -0.643 115.076 115.700 0.032 0.000 2.539 95 S HA 0.265 4.738 4.470 0.006 0.000 0.221 95 S C 0.163 174.748 174.600 -0.025 0.000 0.987 95 S CA -0.300 57.886 58.200 -0.024 0.000 0.929 95 S CB 0.989 64.166 63.200 -0.039 0.000 0.832 95 S HN 0.045 nan 8.310 nan 0.000 0.492 96 V N 4.009 123.943 119.914 0.032 0.000 2.334 96 V HA 0.349 4.472 4.120 0.006 0.000 0.281 96 V C -2.682 173.457 176.094 0.074 0.000 1.016 96 V CA -2.419 59.902 62.300 0.035 0.000 0.832 96 V CB 1.028 32.866 31.823 0.025 0.000 0.999 96 V HN 0.029 nan 8.190 nan 0.000 0.439 97 P HA 0.016 nan 4.420 nan 0.000 0.265 97 P C 0.786 178.140 177.300 0.089 0.000 1.193 97 P CA -0.108 63.022 63.100 0.050 0.000 0.765 97 P CB 0.730 32.451 31.700 0.036 0.000 0.823 98 L N 4.681 125.950 121.223 0.075 0.000 2.043 98 L HA -0.125 4.219 4.340 0.006 0.000 0.212 98 L C 2.135 179.072 176.870 0.111 0.000 1.075 98 L CA 2.612 57.515 54.840 0.106 0.000 0.752 98 L CB -1.486 40.580 42.059 0.012 0.000 0.891 98 L HN 0.519 nan 8.230 nan 0.000 0.432 99 G N -1.070 107.763 108.800 0.056 0.000 2.448 99 G HA2 -0.217 3.747 3.960 0.006 0.000 0.218 99 G HA3 -0.217 3.747 3.960 0.006 0.000 0.218 99 G C 1.537 176.513 174.900 0.126 0.000 1.135 99 G CA 0.737 45.892 45.100 0.092 0.000 0.784 99 G HN 0.409 nan 8.290 nan 0.000 0.543 100 L N 1.187 122.477 121.223 0.112 0.000 2.056 100 L HA 0.237 4.580 4.340 0.006 0.000 0.207 100 L C 3.040 179.973 176.870 0.105 0.000 1.078 100 L CA 2.011 56.914 54.840 0.105 0.000 0.749 100 L CB -0.592 41.516 42.059 0.081 0.000 0.901 100 L HN 0.196 nan 8.230 nan 0.000 0.433 101 A N -1.076 121.814 122.820 0.117 0.000 1.877 101 A HA -0.263 4.061 4.320 0.006 0.000 0.216 101 A C 2.206 179.892 177.584 0.171 0.000 1.186 101 A CA 1.918 54.023 52.037 0.112 0.000 0.620 101 A CB -0.630 18.485 19.000 0.190 0.000 0.822 101 A HN 0.642 nan 8.150 nan 0.000 0.443 102 Q N -1.060 118.892 119.800 0.253 0.000 2.167 102 Q HA -0.103 4.240 4.340 0.006 0.000 0.202 102 Q C 2.130 178.349 176.000 0.364 0.000 0.970 102 Q CA 1.679 57.732 55.803 0.417 0.000 0.855 102 Q CB -0.306 28.671 28.738 0.398 0.000 0.911 102 Q HN 0.686 nan 8.270 nan 0.000 0.438 103 T N 1.572 116.263 114.554 0.229 0.000 2.708 103 T HA -0.147 4.207 4.350 0.006 0.000 0.266 103 T C 1.771 176.574 174.700 0.172 0.000 1.037 103 T CA 0.988 63.203 62.100 0.192 0.000 1.146 103 T CB -0.283 68.680 68.868 0.157 0.000 0.865 103 T HN 0.148 nan 8.240 nan 0.000 0.435 104 L N 1.127 122.426 121.223 0.127 0.000 1.990 104 L HA -0.071 4.273 4.340 0.006 0.000 0.213 104 L C 2.120 179.047 176.870 0.095 0.000 1.072 104 L CA 1.724 56.609 54.840 0.076 0.000 0.755 104 L CB -0.758 41.319 42.059 0.030 0.000 0.889 104 L HN 0.177 nan 8.230 nan 0.000 0.432 105 L N -0.960 120.341 121.223 0.129 0.000 2.141 105 L HA -0.157 4.186 4.340 0.006 0.000 0.209 105 L C 2.519 179.562 176.870 0.289 0.000 1.094 105 L CA 1.379 56.273 54.840 0.089 0.000 0.763 105 L CB -1.272 40.700 42.059 -0.145 0.000 0.908 105 L HN 0.424 nan 8.230 nan 0.000 0.437 106 L N 0.502 122.000 121.223 0.457 0.000 2.027 106 L HA -0.098 4.245 4.340 0.006 0.000 0.206 106 L C 2.630 179.611 176.870 0.184 0.000 1.074 106 L CA 2.035 57.103 54.840 0.380 0.000 0.745 106 L CB -0.731 41.486 42.059 0.264 0.000 0.898 106 L HN 0.143 nan 8.230 nan 0.000 0.433 107 A N -1.117 121.780 122.820 0.129 0.000 1.940 107 A HA -0.264 4.060 4.320 0.006 0.000 0.219 107 A C 2.191 179.753 177.584 -0.036 0.000 1.176 107 A CA 1.909 53.969 52.037 0.039 0.000 0.631 107 A CB -0.576 18.443 19.000 0.031 0.000 0.814 107 A HN 0.680 nan 8.150 nan 0.000 0.446 108 Q N -0.809 118.993 119.800 0.003 0.000 2.046 108 Q HA -0.070 4.273 4.340 0.006 0.000 0.200 108 Q C 2.434 178.432 176.000 -0.003 0.000 0.975 108 Q CA 1.461 57.249 55.803 -0.026 0.000 0.836 108 Q CB -0.351 28.380 28.738 -0.011 0.000 0.896 108 Q HN 0.676 nan 8.270 nan 0.000 0.428 109 A N 0.564 123.423 122.820 0.066 0.000 1.968 109 A HA -0.093 4.231 4.320 0.006 0.000 0.217 109 A C 2.048 179.659 177.584 0.045 0.000 1.169 109 A CA 0.769 52.860 52.037 0.090 0.000 0.638 109 A CB -0.516 18.624 19.000 0.232 0.000 0.812 109 A HN 0.253 nan 8.150 nan 0.000 0.446 110 L N -0.621 120.617 121.223 0.026 0.000 2.017 110 L HA -0.148 4.195 4.340 0.006 0.000 0.208 110 L C 2.864 179.716 176.870 -0.029 0.000 1.073 110 L CA 1.266 56.098 54.840 -0.013 0.000 0.745 110 L CB -0.844 41.206 42.059 -0.015 0.000 0.894 110 L HN 0.474 nan 8.230 nan 0.000 0.432 111 G N -0.468 108.292 108.800 -0.067 0.000 2.440 111 G HA2 -0.271 3.693 3.960 0.006 0.000 0.218 111 G HA3 -0.271 3.693 3.960 0.006 0.000 0.218 111 G C 1.135 176.017 174.900 -0.031 0.000 1.154 111 G CA 0.963 46.017 45.100 -0.076 0.000 0.767 111 G HN 0.304 nan 8.290 nan 0.000 0.552 112 D N 0.946 121.334 120.400 -0.019 0.000 2.149 112 D HA -0.031 4.612 4.640 0.006 0.000 0.198 112 D C 2.627 178.929 176.300 0.004 0.000 0.990 112 D CA 1.300 55.299 54.000 -0.003 0.000 0.839 112 D CB -0.294 40.510 40.800 0.006 0.000 0.948 112 D HN 0.351 nan 8.370 nan 0.000 0.460 113 A N -0.535 122.288 122.820 0.005 0.000 2.218 113 A HA 0.424 4.748 4.320 0.006 0.000 0.209 113 A C 1.682 179.271 177.584 0.008 0.000 1.168 113 A CA 0.967 53.008 52.037 0.007 0.000 0.804 113 A CB -0.095 18.904 19.000 -0.001 0.000 0.834 113 A HN 0.237 nan 8.150 nan 0.000 0.482 114 G N -1.079 107.724 108.800 0.005 0.000 2.160 114 G HA2 -0.181 3.782 3.960 0.006 0.000 0.244 114 G HA3 -0.181 3.782 3.960 0.006 0.000 0.244 114 G C -0.185 174.727 174.900 0.021 0.000 1.022 114 G CA 0.205 45.311 45.100 0.011 0.000 0.741 114 G HN 0.363 nan 8.290 nan 0.000 0.508 115 L N 1.170 122.406 121.223 0.022 0.000 2.313 115 L HA 0.509 4.852 4.340 0.006 0.000 0.282 115 L C 1.818 178.710 176.870 0.037 0.000 1.092 115 L CA 1.121 55.991 54.840 0.049 0.000 0.831 115 L CB 1.419 43.503 42.059 0.043 0.000 1.159 115 L HN 0.382 nan 8.230 nan 0.000 0.442 116 T N -0.666 113.916 114.554 0.047 0.000 3.040 116 T HA 0.366 4.720 4.350 0.006 0.000 0.250 116 T C 0.787 175.504 174.700 0.028 0.000 1.058 116 T CA 0.142 62.261 62.100 0.031 0.000 0.988 116 T CB 0.205 69.088 68.868 0.025 0.000 0.993 116 T HN 0.512 nan 8.240 nan 0.000 0.519 117 A N 3.046 125.897 122.820 0.052 0.000 2.498 117 A HA 0.492 4.816 4.320 0.006 0.000 0.239 117 A C -2.390 175.192 177.584 -0.005 0.000 1.068 117 A CA -1.081 50.978 52.037 0.036 0.000 0.766 117 A CB -0.362 18.705 19.000 0.111 0.000 1.003 117 A HN 0.250 nan 8.150 nan 0.000 0.497 118 P HA 0.180 nan 4.420 nan 0.000 0.268 118 P C -0.609 176.600 177.300 -0.152 0.000 1.204 118 P CA -0.090 62.931 63.100 -0.133 0.000 0.768 118 P CB 0.432 32.024 31.700 -0.180 0.000 0.842 119 L N 5.267 126.340 121.223 -0.250 0.000 2.276 119 L HA 0.452 4.796 4.340 0.006 0.000 0.286 119 L C -1.411 175.059 176.870 -0.667 0.000 1.061 119 L CA -0.212 54.490 54.840 -0.230 0.000 0.807 119 L CB -0.049 42.007 42.059 -0.005 0.000 1.177 119 L HN 0.311 nan 8.230 nan 0.000 0.429 120 W N 4.826 125.921 121.300 -0.342 0.000 2.475 120 W HA 0.525 5.188 4.660 0.005 0.000 0.317 120 W C -0.677 175.699 176.519 -0.239 0.000 1.046 120 W CA -0.372 56.731 57.345 -0.403 0.000 1.215 120 W CB 1.660 30.970 29.460 -0.251 0.000 1.335 120 W HN 0.446 nan 8.180 nan 0.000 0.471 121 C N 5.148 124.419 119.300 -0.047 0.000 2.273 121 C HA 0.566 5.029 4.460 0.006 0.000 0.328 121 C C 0.336 175.373 174.990 0.079 0.000 1.275 121 C CA -0.776 58.279 59.018 0.061 0.000 1.704 121 C CB -0.801 26.994 27.740 0.093 0.000 2.326 121 C HN 0.447 nan 8.230 nan 0.000 0.517 122 L N 3.987 125.315 121.223 0.175 0.000 2.325 122 L HA 0.700 5.043 4.340 0.006 0.000 0.279 122 L C 0.640 177.634 176.870 0.208 0.000 1.054 122 L CA 0.144 55.113 54.840 0.215 0.000 0.804 122 L CB 1.676 43.945 42.059 0.350 0.000 1.200 122 L HN 0.800 nan 8.230 nan 0.000 0.436 123 T N -0.309 114.272 114.554 0.045 0.000 2.887 123 T HA 0.711 5.064 4.350 0.006 0.000 0.292 123 T C -0.716 173.606 174.700 -0.630 0.000 1.087 123 T CA -0.999 61.024 62.100 -0.128 0.000 1.009 123 T CB 2.415 71.442 68.868 0.265 0.000 1.203 123 T HN 0.528 nan 8.240 nan 0.000 0.518 124 R N -0.186 119.862 120.500 -0.753 0.000 2.507 124 R HA 0.593 4.936 4.340 0.006 0.000 0.298 124 R C 0.584 176.658 176.300 -0.377 0.000 1.087 124 R CA 0.502 56.125 56.100 -0.793 0.000 0.917 124 R CB 0.402 29.758 30.300 -1.572 0.000 1.173 124 R HN 1.596 nan 8.270 nan 0.000 0.472 125 G N 2.056 110.693 108.800 -0.271 0.000 2.160 125 G HA2 -0.234 3.729 3.960 0.006 0.000 0.244 125 G HA3 -0.234 3.729 3.960 0.006 0.000 0.244 125 G C 0.524 175.318 174.900 -0.176 0.000 1.022 125 G CA 0.197 45.180 45.100 -0.196 0.000 0.741 125 G HN 0.935 nan 8.290 nan 0.000 0.508 126 G N -1.288 107.405 108.800 -0.179 0.000 2.986 126 G HA2 0.533 4.496 3.960 0.006 0.000 0.213 126 G HA3 0.533 4.496 3.960 0.006 0.000 0.213 126 G C 0.674 175.320 174.900 -0.423 0.000 1.156 126 G CA 1.308 46.301 45.100 -0.179 0.000 0.763 126 G HN 1.738 nan 8.290 nan 0.000 0.547 127 V N -3.725 115.889 119.914 -0.501 0.000 3.078 127 V HA 0.884 5.007 4.120 0.006 0.000 0.311 127 V C -0.667 175.147 176.094 -0.467 0.000 1.138 127 V CA -1.363 60.593 62.300 -0.574 0.000 1.007 127 V CB 1.644 32.952 31.823 -0.859 0.000 1.045 127 V HN 0.283 nan 8.190 nan 0.000 0.432 128 A N 1.920 124.503 122.820 -0.395 0.000 2.322 128 A HA 0.938 5.261 4.320 0.006 0.000 0.327 128 A C 0.131 177.352 177.584 -0.604 0.000 1.394 128 A CA 0.058 51.877 52.037 -0.364 0.000 0.921 128 A CB 0.105 18.997 19.000 -0.180 0.000 1.153 128 A HN 2.218 nan 8.150 nan 0.000 0.523 129 A N 2.408 124.745 122.820 -0.806 0.000 2.357 129 A HA 0.878 5.201 4.320 0.006 0.000 0.295 129 A C 0.285 177.575 177.584 -0.490 0.000 1.121 129 A CA 0.080 51.437 52.037 -1.134 0.000 0.742 129 A CB 0.547 18.440 19.000 -1.845 0.000 1.181 129 A HN 2.728 nan 8.150 nan 0.000 0.454 130 G N 1.265 109.916 108.800 -0.248 0.000 2.629 130 G HA2 0.139 4.103 3.960 0.006 0.000 0.686 130 G HA3 0.139 4.103 3.960 0.006 0.000 0.686 130 G C -0.219 174.631 174.900 -0.084 0.000 1.232 130 G CA -0.363 44.672 45.100 -0.109 0.000 0.803 130 G HN 1.532 nan 8.290 nan 0.000 0.638 131 R N 0.651 121.126 120.500 -0.041 0.000 2.522 131 R HA 0.456 4.800 4.340 0.006 0.000 0.284 131 R C 1.509 177.781 176.300 -0.047 0.000 1.032 131 R CA 1.244 57.326 56.100 -0.030 0.000 1.049 131 R CB 0.010 30.303 30.300 -0.011 0.000 0.956 131 R HN 2.612 nan 8.270 nan 0.000 0.422 132 G N 2.856 111.628 108.800 -0.048 0.000 2.184 132 G HA2 -0.316 3.648 3.960 0.006 0.000 0.264 132 G HA3 -0.316 3.648 3.960 0.006 0.000 0.264 132 G C -0.056 174.799 174.900 -0.076 0.000 0.975 132 G CA 0.421 45.488 45.100 -0.054 0.000 0.642 132 G HN 0.793 nan 8.290 nan 0.000 0.536 133 D N -0.169 120.169 120.400 -0.103 0.000 2.399 133 D HA 0.430 5.073 4.640 0.006 0.000 0.241 133 D C 0.395 176.620 176.300 -0.126 0.000 1.133 133 D CA 0.144 54.063 54.000 -0.135 0.000 0.890 133 D CB 1.180 41.855 40.800 -0.208 0.000 1.201 133 D HN 0.192 nan 8.370 nan 0.000 0.432 134 V N 4.594 124.437 119.914 -0.119 0.000 2.384 134 V HA 0.205 4.328 4.120 0.006 0.000 0.287 134 V C 0.104 176.137 176.094 -0.101 0.000 1.020 134 V CA -0.860 61.381 62.300 -0.099 0.000 0.850 134 V CB 1.491 33.269 31.823 -0.074 0.000 0.987 134 V HN 0.490 nan 8.190 nan 0.000 0.436 135 L N 5.277 126.446 121.223 -0.090 0.000 2.363 135 L HA 0.195 4.539 4.340 0.006 0.000 0.286 135 L C 1.507 178.410 176.870 0.055 0.000 1.106 135 L CA 0.102 54.895 54.840 -0.080 0.000 0.859 135 L CB 1.156 43.152 42.059 -0.105 0.000 1.223 135 L HN 0.900 nan 8.230 nan 0.000 0.446 136 S N 0.933 116.637 115.700 0.008 0.000 2.478 136 S HA 0.015 4.489 4.470 0.006 0.000 0.222 136 S C 0.853 175.402 174.600 -0.085 0.000 1.008 136 S CA 0.146 58.381 58.200 0.058 0.000 0.928 136 S CB 0.216 63.419 63.200 0.005 0.000 0.781 136 S HN 0.543 nan 8.310 nan 0.000 0.518 137 S N 2.397 118.023 115.700 -0.123 0.000 2.539 137 S HA 0.494 4.968 4.470 0.006 0.000 0.235 137 S C -2.353 172.168 174.600 -0.132 0.000 1.326 137 S CA -1.555 56.564 58.200 -0.135 0.000 1.183 137 S CB 1.257 64.427 63.200 -0.050 0.000 1.073 137 S HN 0.036 nan 8.310 nan 0.000 0.480 138 P HA -0.074 nan 4.420 nan 0.000 0.220 138 P C 1.567 178.892 177.300 0.043 0.000 1.148 138 P CA 0.667 63.640 63.100 -0.211 0.000 0.803 138 P CB 0.082 31.498 31.700 -0.474 0.000 0.782 139 V N 0.262 120.271 119.914 0.158 0.000 2.295 139 V HA -0.262 3.861 4.120 0.006 0.000 0.246 139 V C 2.617 178.815 176.094 0.173 0.000 1.049 139 V CA 1.875 64.307 62.300 0.220 0.000 1.024 139 V CB -1.244 30.653 31.823 0.123 0.000 0.648 139 V HN 0.179 nan 8.190 nan 0.000 0.447 140 Q N -0.257 119.620 119.800 0.127 0.000 2.224 140 Q HA -0.103 4.240 4.340 0.006 0.000 0.203 140 Q C 2.313 178.460 176.000 0.246 0.000 0.970 140 Q CA 1.310 57.217 55.803 0.173 0.000 0.865 140 Q CB -0.441 28.378 28.738 0.134 0.000 0.922 140 Q HN 0.734 nan 8.270 nan 0.000 0.445 141 G N 0.803 109.687 108.800 0.141 0.000 2.448 141 G HA2 -0.210 3.753 3.960 0.006 0.000 0.219 141 G HA3 -0.210 3.753 3.960 0.006 0.000 0.219 141 G C 1.449 176.484 174.900 0.226 0.000 1.127 141 G CA 0.765 45.933 45.100 0.113 0.000 0.766 141 G HN 0.405 nan 8.290 nan 0.000 0.552 142 A N 0.612 123.573 122.820 0.234 0.000 1.972 142 A HA 0.079 4.402 4.320 0.006 0.000 0.219 142 A C 2.246 179.968 177.584 0.229 0.000 1.169 142 A CA 1.083 53.257 52.037 0.229 0.000 0.635 142 A CB -0.325 18.806 19.000 0.218 0.000 0.810 142 A HN 0.349 nan 8.150 nan 0.000 0.446 143 L N -1.479 119.903 121.223 0.266 0.000 2.127 143 L HA -0.181 4.162 4.340 0.006 0.000 0.211 143 L C 2.120 179.122 176.870 0.220 0.000 1.089 143 L CA 1.795 56.769 54.840 0.223 0.000 0.757 143 L CB -0.877 41.313 42.059 0.218 0.000 0.899 143 L HN 0.667 nan 8.230 nan 0.000 0.434 144 W N 0.047 121.420 121.300 0.121 0.000 2.363 144 W HA -0.065 4.599 4.660 0.007 0.000 0.296 144 W C 2.564 179.137 176.519 0.089 0.000 1.212 144 W CA 1.274 58.702 57.345 0.138 0.000 1.260 144 W CB -1.195 28.355 29.460 0.149 0.000 1.131 144 W HN 0.197 nan 8.180 nan 0.000 0.530 145 G N 0.403 109.362 108.800 0.266 0.000 2.421 145 G HA2 -0.265 3.699 3.960 0.006 0.000 0.216 145 G HA3 -0.265 3.699 3.960 0.006 0.000 0.216 145 G C 1.485 176.415 174.900 0.050 0.000 1.171 145 G CA 1.200 46.375 45.100 0.126 0.000 0.775 145 G HN 0.227 nan 8.290 nan 0.000 0.543 146 L N 1.545 122.793 121.223 0.041 0.000 2.017 146 L HA 0.139 4.482 4.340 0.006 0.000 0.208 146 L C 2.785 179.568 176.870 -0.146 0.000 1.073 146 L CA 2.571 57.393 54.840 -0.030 0.000 0.745 146 L CB -1.044 41.016 42.059 0.003 0.000 0.894 146 L HN 0.160 nan 8.230 nan 0.000 0.432 147 G N -0.849 107.869 108.800 -0.137 0.000 2.418 147 G HA2 -0.264 3.700 3.960 0.006 0.000 0.217 147 G HA3 -0.264 3.700 3.960 0.006 0.000 0.217 147 G C 1.740 176.286 174.900 -0.590 0.000 1.158 147 G CA 0.782 45.647 45.100 -0.392 0.000 0.771 147 G HN 0.413 nan 8.290 nan 0.000 0.545 148 R N -0.386 120.001 120.500 -0.187 0.000 2.127 148 R HA -0.030 4.314 4.340 0.006 0.000 0.238 148 R C 2.552 178.704 176.300 -0.246 0.000 1.134 148 R CA 1.095 57.116 56.100 -0.131 0.000 0.975 148 R CB -0.322 30.030 30.300 0.086 0.000 0.865 148 R HN 0.338 nan 8.270 nan 0.000 0.447 149 V N 0.975 120.752 119.914 -0.228 0.000 2.591 149 V HA -0.140 3.983 4.120 0.006 0.000 0.249 149 V C 2.105 178.000 176.094 -0.331 0.000 1.053 149 V CA 1.245 63.424 62.300 -0.202 0.000 1.068 149 V CB -0.267 31.491 31.823 -0.110 0.000 0.689 149 V HN 0.261 nan 8.190 nan 0.000 0.462 150 I N 1.218 121.484 120.570 -0.506 0.000 2.248 150 I HA -0.209 3.965 4.170 0.006 0.000 0.248 150 I C 2.495 178.190 176.117 -0.705 0.000 1.107 150 I CA 1.827 62.777 61.300 -0.584 0.000 1.373 150 I CB -0.827 36.683 38.000 -0.816 0.000 1.055 150 I HN 0.420 nan 8.210 nan 0.000 0.418 151 G N 0.704 108.852 108.800 -1.087 0.000 2.448 151 G HA2 -0.082 3.882 3.960 0.006 0.000 0.218 151 G HA3 -0.082 3.882 3.960 0.006 0.000 0.218 151 G C 1.672 176.372 174.900 -0.333 0.000 1.135 151 G CA 0.216 44.873 45.100 -0.738 0.000 0.784 151 G HN 0.287 nan 8.290 nan 0.000 0.543 152 L N -0.352 120.669 121.223 -0.336 0.000 2.270 152 L HA 0.147 4.491 4.340 0.006 0.000 0.210 152 L C 2.600 179.307 176.870 -0.271 0.000 1.104 152 L CA 0.709 55.371 54.840 -0.296 0.000 0.804 152 L CB -0.048 41.847 42.059 -0.273 0.000 0.937 152 L HN 0.231 nan 8.230 nan 0.000 0.450 153 E N -1.340 118.677 120.200 -0.304 0.000 2.307 153 E HA 0.040 4.393 4.350 0.006 0.000 0.195 153 E C 0.259 176.470 176.600 -0.648 0.000 0.975 153 E CA 0.388 56.528 56.400 -0.434 0.000 0.878 153 E CB 0.482 29.918 29.700 -0.440 0.000 0.845 153 E HN 0.468 nan 8.360 nan 0.000 0.488 154 H N 0.170 119.166 119.070 -0.123 0.000 2.535 154 H HA 0.145 4.704 4.556 0.005 0.000 0.232 154 H C -1.900 173.412 175.328 -0.025 0.000 1.405 154 H CA -1.419 54.592 56.048 -0.062 0.000 1.224 154 H CB 0.786 30.524 29.762 -0.040 0.000 1.763 154 H HN 0.120 nan 8.280 nan 0.000 0.529 155 P HA -0.134 nan 4.420 nan 0.000 0.219 155 P C 0.797 178.136 177.300 0.064 0.000 1.146 155 P CA 1.051 64.167 63.100 0.027 0.000 0.808 155 P CB 0.563 32.238 31.700 -0.042 0.000 0.779 156 D N 0.086 120.518 120.400 0.054 0.000 2.317 156 D HA -0.066 4.578 4.640 0.006 0.000 0.211 156 D C 1.623 177.950 176.300 0.046 0.000 0.966 156 D CA 0.738 54.763 54.000 0.041 0.000 0.876 156 D CB 0.001 40.820 40.800 0.031 0.000 0.927 156 D HN 0.486 nan 8.370 nan 0.000 0.519 157 R N -0.711 119.840 120.500 0.084 0.000 2.629 157 R HA 0.148 4.491 4.340 0.006 0.000 0.386 157 R C 0.001 176.360 176.300 0.098 0.000 1.071 157 R CA -0.539 55.597 56.100 0.061 0.000 1.104 157 R CB -0.230 30.099 30.300 0.048 0.000 1.370 157 R HN 0.011 nan 8.270 nan 0.000 0.574 158 W N 1.124 122.338 121.300 -0.143 0.000 2.429 158 W HA 0.423 5.086 4.660 0.005 0.000 0.314 158 W C -0.360 175.911 176.519 -0.412 0.000 1.062 158 W CA -0.545 56.653 57.345 -0.246 0.000 1.211 158 W CB 1.967 31.314 29.460 -0.188 0.000 1.305 158 W HN 0.194 nan 8.180 nan 0.000 0.476 159 G N 2.861 110.820 108.800 -1.402 0.000 2.557 159 G HA2 0.403 4.366 3.960 0.006 0.000 0.213 159 G HA3 0.403 4.366 3.960 0.006 0.000 0.213 159 G C 0.307 173.600 174.900 -2.678 0.000 1.221 159 G CA 0.863 44.706 45.100 -2.094 0.000 0.832 159 G HN 0.849 nan 8.290 nan 0.000 0.556 160 G N -1.604 105.434 108.800 -2.938 0.000 2.345 160 G HA2 0.363 4.326 3.960 0.006 0.000 0.285 160 G HA3 0.363 4.326 3.960 0.006 0.000 0.285 160 G C -1.953 172.443 174.900 -0.839 0.000 1.297 160 G CA -0.875 43.235 45.100 -1.650 0.000 0.875 160 G HN 0.460 nan 8.290 nan 0.000 0.506 161 L N 0.247 121.299 121.223 -0.286 0.000 2.346 161 L HA 0.778 5.121 4.340 0.006 0.000 0.276 161 L C -0.373 176.459 176.870 -0.064 0.000 1.006 161 L CA -0.744 53.863 54.840 -0.389 0.000 0.817 161 L CB 1.948 43.259 42.059 -1.247 0.000 1.272 161 L HN 0.456 nan 8.230 nan 0.000 0.421 162 I N 1.729 122.351 120.570 0.086 0.000 2.512 162 I HA 0.241 4.414 4.170 0.006 0.000 0.287 162 I C -1.107 175.195 176.117 0.308 0.000 1.069 162 I CA -0.463 60.991 61.300 0.257 0.000 1.056 162 I CB 2.263 40.348 38.000 0.141 0.000 1.229 162 I HN 0.507 nan 8.210 nan 0.000 0.429 163 D N 6.276 126.929 120.400 0.422 0.000 2.249 163 D HA 0.498 5.141 4.640 0.006 0.000 0.246 163 D C -0.658 175.643 176.300 0.002 0.000 1.114 163 D CA -0.090 54.028 54.000 0.198 0.000 0.854 163 D CB 1.157 42.017 40.800 0.100 0.000 1.132 163 D HN 0.314 nan 8.370 nan 0.000 0.461 164 L N 5.056 126.208 121.223 -0.118 0.000 2.399 164 L HA 0.508 4.852 4.340 0.006 0.000 0.265 164 L C -1.764 175.020 176.870 -0.144 0.000 1.089 164 L CA -1.806 52.971 54.840 -0.105 0.000 0.802 164 L CB 1.326 43.323 42.059 -0.104 0.000 1.180 164 L HN 0.405 nan 8.230 nan 0.000 0.454 165 P HA 0.018 nan 4.420 nan 0.000 0.277 165 P C -0.003 177.260 177.300 -0.063 0.000 1.271 165 P CA -0.314 62.737 63.100 -0.082 0.000 0.795 165 P CB 0.793 32.463 31.700 -0.050 0.000 1.101 166 E N -0.172 119.998 120.200 -0.049 0.000 2.153 166 E HA -0.068 4.285 4.350 0.006 0.000 0.194 166 E C -0.158 176.467 176.600 0.041 0.000 0.988 166 E CA 1.306 57.702 56.400 -0.008 0.000 0.811 166 E CB -0.203 29.491 29.700 -0.011 0.000 0.746 166 E HN 0.358 nan 8.360 nan 0.000 0.466 167 T N 1.027 115.595 114.554 0.023 0.000 2.791 167 T HA 0.334 4.688 4.350 0.006 0.000 0.288 167 T C -0.546 174.175 174.700 0.036 0.000 0.999 167 T CA -0.458 61.664 62.100 0.037 0.000 0.952 167 T CB 1.926 70.808 68.868 0.022 0.000 0.938 167 T HN -0.223 nan 8.240 nan 0.000 0.444 168 V N 5.841 125.791 119.914 0.060 0.000 2.267 168 V HA 0.164 4.288 4.120 0.006 0.000 0.254 168 V C 0.595 176.711 176.094 0.036 0.000 1.144 168 V CA -0.943 61.389 62.300 0.055 0.000 0.992 168 V CB -0.657 31.222 31.823 0.093 0.000 1.199 168 V HN 0.871 nan 8.190 nan 0.000 0.493 169 D N 2.244 122.657 120.400 0.021 0.000 2.398 169 D HA 0.014 4.657 4.640 0.006 0.000 0.247 169 D C 1.435 177.741 176.300 0.010 0.000 1.227 169 D CA -0.078 53.930 54.000 0.013 0.000 0.980 169 D CB 0.884 41.688 40.800 0.008 0.000 1.106 169 D HN 0.214 nan 8.370 nan 0.000 0.493 170 T N -1.493 113.064 114.554 0.005 0.000 2.867 170 T HA -0.160 4.193 4.350 0.006 0.000 0.268 170 T C 1.793 176.493 174.700 -0.001 0.000 1.057 170 T CA 1.549 63.650 62.100 0.001 0.000 1.136 170 T CB -0.277 68.590 68.868 -0.001 0.000 0.874 170 T HN 0.450 nan 8.240 nan 0.000 0.466 171 R N -0.030 120.470 120.500 -0.001 0.000 2.075 171 R HA 0.051 4.394 4.340 0.006 0.000 0.232 171 R C 2.608 178.907 176.300 -0.003 0.000 1.126 171 R CA 1.391 57.489 56.100 -0.002 0.000 0.963 171 R CB -0.534 29.765 30.300 -0.002 0.000 0.858 171 R HN 0.425 nan 8.270 nan 0.000 0.435 172 A N 0.590 123.410 122.820 0.001 0.000 1.898 172 A HA -0.072 4.251 4.320 0.006 0.000 0.216 172 A C 2.325 179.910 177.584 0.001 0.000 1.181 172 A CA 1.571 53.609 52.037 0.002 0.000 0.620 172 A CB -0.749 18.255 19.000 0.008 0.000 0.819 172 A HN 0.517 nan 8.150 nan 0.000 0.442 173 A N -0.205 122.617 122.820 0.004 0.000 1.933 173 A HA 0.164 4.487 4.320 0.006 0.000 0.218 173 A C 2.449 180.022 177.584 -0.017 0.000 1.175 173 A CA 2.047 54.084 52.037 -0.001 0.000 0.628 173 A CB -0.855 18.147 19.000 0.002 0.000 0.814 173 A HN 1.012 nan 8.150 nan 0.000 0.444 174 A N -0.382 122.428 122.820 -0.016 0.000 1.929 174 A HA -0.060 4.263 4.320 0.006 0.000 0.216 174 A C 2.193 179.759 177.584 -0.030 0.000 1.176 174 A CA 1.279 53.302 52.037 -0.023 0.000 0.628 174 A CB -0.382 18.608 19.000 -0.017 0.000 0.816 174 A HN 0.528 nan 8.150 nan 0.000 0.444 175 R N -0.957 119.529 120.500 -0.024 0.000 2.083 175 R HA -0.144 4.200 4.340 0.006 0.000 0.237 175 R C 2.123 178.390 176.300 -0.055 0.000 1.137 175 R CA 1.576 57.659 56.100 -0.028 0.000 0.951 175 R CB -0.600 29.692 30.300 -0.012 0.000 0.851 175 R HN 0.500 nan 8.270 nan 0.000 0.434 176 L N 0.803 121.992 121.223 -0.057 0.000 1.994 176 L HA -0.185 4.158 4.340 0.006 0.000 0.208 176 L C 2.346 179.134 176.870 -0.136 0.000 1.071 176 L CA 2.513 57.295 54.840 -0.096 0.000 0.745 176 L CB -0.969 41.058 42.059 -0.054 0.000 0.892 176 L HN 0.347 nan 8.230 nan 0.000 0.431 177 T N -3.580 110.916 114.554 -0.097 0.000 2.867 177 T HA -0.039 4.314 4.350 0.006 0.000 0.268 177 T C 1.941 176.575 174.700 -0.110 0.000 1.057 177 T CA 0.816 62.853 62.100 -0.104 0.000 1.136 177 T CB -1.386 67.438 68.868 -0.073 0.000 0.874 177 T HN 0.420 nan 8.240 nan 0.000 0.466 178 G N 1.558 110.305 108.800 -0.088 0.000 2.402 178 G HA2 -0.001 3.962 3.960 0.006 0.000 0.216 178 G HA3 -0.001 3.962 3.960 0.006 0.000 0.216 178 G C 1.515 176.360 174.900 -0.092 0.000 1.162 178 G CA 0.591 45.647 45.100 -0.073 0.000 0.777 178 G HN 0.515 nan 8.290 nan 0.000 0.539 179 L N -0.040 121.100 121.223 -0.139 0.000 2.083 179 L HA 0.010 4.354 4.340 0.006 0.000 0.209 179 L C 2.837 179.513 176.870 -0.323 0.000 1.083 179 L CA 0.540 55.256 54.840 -0.207 0.000 0.752 179 L CB -0.343 41.549 42.059 -0.279 0.000 0.899 179 L HN 0.177 nan 8.230 nan 0.000 0.433 180 L N -0.619 120.373 121.223 -0.386 0.000 2.141 180 L HA -0.158 4.185 4.340 0.006 0.000 0.209 180 L C 2.793 179.659 176.870 -0.006 0.000 1.094 180 L CA 0.937 55.559 54.840 -0.364 0.000 0.763 180 L CB -0.692 41.184 42.059 -0.306 0.000 0.908 180 L HN 0.235 nan 8.230 nan 0.000 0.437 181 A N -1.559 121.239 122.820 -0.037 0.000 1.897 181 A HA -0.106 4.217 4.320 0.006 0.000 0.215 181 A C 0.841 178.488 177.584 0.104 0.000 1.181 181 A CA 1.077 53.120 52.037 0.010 0.000 0.620 181 A CB 0.015 18.972 19.000 -0.071 0.000 0.821 181 A HN 0.395 nan 8.150 nan 0.000 0.443 182 D N -2.638 117.794 120.400 0.054 0.000 2.804 182 D HA 0.431 5.074 4.640 0.006 0.000 0.209 182 D C -0.424 175.910 176.300 0.057 0.000 1.314 182 D CA 0.312 54.360 54.000 0.080 0.000 0.894 182 D CB 1.631 42.470 40.800 0.065 0.000 1.615 182 D HN 0.054 nan 8.370 nan 0.000 0.571 183 A N 1.830 124.717 122.820 0.111 0.000 2.348 183 A HA 0.496 4.819 4.320 0.006 0.000 0.224 183 A C 1.378 179.035 177.584 0.121 0.000 1.227 183 A CA 0.710 52.821 52.037 0.124 0.000 0.885 183 A CB -0.005 19.164 19.000 0.282 0.000 0.933 183 A HN 1.025 nan 8.150 nan 0.000 0.506 184 G N -1.100 107.759 108.800 0.098 0.000 2.283 184 G HA2 0.097 4.060 3.960 0.006 0.000 0.280 184 G HA3 0.097 4.060 3.960 0.006 0.000 0.280 184 G C 1.468 176.421 174.900 0.088 0.000 1.029 184 G CA 0.902 46.051 45.100 0.081 0.000 0.840 184 G HN 2.082 nan 8.290 nan 0.000 0.505 185 G N -1.861 107.000 108.800 0.103 0.000 2.159 185 G HA2 -0.241 3.723 3.960 0.006 0.000 0.256 185 G HA3 -0.241 3.723 3.960 0.006 0.000 0.256 185 G C 0.177 175.144 174.900 0.112 0.000 0.977 185 G CA 0.853 46.010 45.100 0.095 0.000 0.652 185 G HN 0.904 nan 8.290 nan 0.000 0.531 186 E N 0.569 120.855 120.200 0.144 0.000 2.319 186 E HA 0.492 4.845 4.350 0.006 0.000 0.268 186 E C 0.502 177.232 176.600 0.217 0.000 1.050 186 E CA 0.292 56.794 56.400 0.169 0.000 0.878 186 E CB 1.317 31.123 29.700 0.176 0.000 1.066 186 E HN 0.496 nan 8.360 nan 0.000 0.406 187 D N -0.236 120.280 120.400 0.193 0.000 2.523 187 D HA -0.020 4.623 4.640 0.006 0.000 0.269 187 D C -0.315 176.088 176.300 0.171 0.000 1.374 187 D CA -0.084 53.990 54.000 0.123 0.000 0.820 187 D CB 0.099 40.892 40.800 -0.011 0.000 1.211 187 D HN 0.203 nan 8.370 nan 0.000 0.502 188 Q N 0.932 120.896 119.800 0.273 0.000 2.695 188 Q HA 0.517 4.861 4.340 0.006 0.000 0.246 188 Q C -1.259 175.095 176.000 0.589 0.000 0.961 188 Q CA -0.289 55.768 55.803 0.423 0.000 0.708 188 Q CB 2.133 31.115 28.738 0.406 0.000 1.282 188 Q HN 0.108 nan 8.270 nan 0.000 0.482 189 L N 0.953 122.576 121.223 0.667 0.000 2.354 189 L HA 0.925 5.269 4.340 0.006 0.000 0.269 189 L C -0.663 176.561 176.870 0.591 0.000 1.005 189 L CA -0.843 54.341 54.840 0.573 0.000 0.819 189 L CB 2.105 44.375 42.059 0.351 0.000 1.311 189 L HN 0.477 nan 8.230 nan 0.000 0.423 190 A N 3.295 126.341 122.820 0.376 0.000 2.335 190 A HA 0.749 5.072 4.320 0.006 0.000 0.304 190 A C -0.793 176.816 177.584 0.041 0.000 1.118 190 A CA -0.371 51.709 52.037 0.071 0.000 0.757 190 A CB 0.618 19.407 19.000 -0.351 0.000 1.188 190 A HN 0.622 nan 8.150 nan 0.000 0.460 191 I N 3.515 124.096 120.570 0.018 0.000 2.325 191 I HA 0.382 4.556 4.170 0.006 0.000 0.291 191 I C 0.160 176.253 176.117 -0.039 0.000 1.019 191 I CA -0.340 60.961 61.300 0.003 0.000 1.302 191 I CB 0.678 38.682 38.000 0.007 0.000 1.401 191 I HN 0.591 nan 8.210 nan 0.000 0.485 192 R N 3.571 124.049 120.500 -0.036 0.000 2.888 192 R HA 0.388 4.732 4.340 0.006 0.000 0.264 192 R C 0.953 177.235 176.300 -0.031 0.000 1.045 192 R CA -0.664 55.404 56.100 -0.053 0.000 0.962 192 R CB 1.114 31.369 30.300 -0.075 0.000 1.210 192 R HN 0.698 nan 8.270 nan 0.000 0.479 193 G N 0.297 109.077 108.800 -0.033 0.000 2.469 193 G HA2 -0.304 3.659 3.960 0.006 0.000 0.219 193 G HA3 -0.304 3.659 3.960 0.006 0.000 0.219 193 G C 1.086 175.978 174.900 -0.013 0.000 1.150 193 G CA 1.542 46.630 45.100 -0.020 0.000 0.763 193 G HN 0.589 nan 8.290 nan 0.000 0.561 194 S N -0.654 115.037 115.700 -0.015 0.000 2.522 194 S HA 0.471 4.945 4.470 0.006 0.000 0.227 194 S C 1.013 175.615 174.600 0.004 0.000 0.986 194 S CA 0.730 58.927 58.200 -0.005 0.000 0.929 194 S CB 0.128 63.325 63.200 -0.006 0.000 0.769 194 S HN 1.393 nan 8.310 nan 0.000 0.529 195 G N -0.197 108.606 108.800 0.004 0.000 2.359 195 G HA2 0.324 4.288 3.960 0.006 0.000 0.293 195 G HA3 0.324 4.288 3.960 0.006 0.000 0.293 195 G C -1.639 173.276 174.900 0.026 0.000 1.300 195 G CA -0.513 44.598 45.100 0.017 0.000 0.888 195 G HN 0.389 nan 8.290 nan 0.000 0.541 196 V N 1.094 121.034 119.914 0.042 0.000 2.406 196 V HA 0.556 4.679 4.120 0.006 0.000 0.272 196 V C 0.474 176.634 176.094 0.109 0.000 1.043 196 V CA -0.274 62.067 62.300 0.068 0.000 0.915 196 V CB 0.661 32.524 31.823 0.066 0.000 0.988 196 V HN 0.584 nan 8.190 nan 0.000 0.466 197 L N 4.302 125.619 121.223 0.156 0.000 2.334 197 L HA 0.935 5.278 4.340 0.006 0.000 0.273 197 L C 0.161 177.282 176.870 0.419 0.000 1.013 197 L CA -0.554 54.444 54.840 0.263 0.000 0.816 197 L CB 1.839 44.058 42.059 0.266 0.000 1.278 197 L HN 0.698 nan 8.230 nan 0.000 0.431 198 A N 2.101 125.152 122.820 0.384 0.000 2.413 198 A HA 0.678 5.001 4.320 0.006 0.000 0.307 198 A C -0.834 176.721 177.584 -0.047 0.000 1.087 198 A CA -0.709 51.493 52.037 0.276 0.000 0.750 198 A CB 1.702 20.802 19.000 0.166 0.000 1.296 198 A HN 0.775 nan 8.150 nan 0.000 0.423 199 R N 0.877 121.131 120.500 -0.411 0.000 2.390 199 R HA 0.506 4.849 4.340 0.006 0.000 0.291 199 R C -0.802 175.225 176.300 -0.455 0.000 1.070 199 R CA -0.227 55.288 56.100 -0.975 0.000 1.014 199 R CB 0.458 30.180 30.300 -0.962 0.000 1.007 199 R HN 0.687 nan 8.270 nan 0.000 0.466 200 R N 3.496 123.711 120.500 -0.475 0.000 2.651 200 R HA 0.336 4.679 4.340 0.006 0.000 0.278 200 R C -1.409 174.755 176.300 -0.225 0.000 1.010 200 R CA -1.138 54.814 56.100 -0.247 0.000 0.896 200 R CB 1.479 31.667 30.300 -0.188 0.000 1.211 200 R HN 0.452 nan 8.270 nan 0.000 0.456 201 L N 1.487 122.628 121.223 -0.138 0.000 2.295 201 L HA 0.780 5.124 4.340 0.006 0.000 0.285 201 L C -0.765 176.061 176.870 -0.073 0.000 1.035 201 L CA -0.099 54.690 54.840 -0.085 0.000 0.806 201 L CB 1.501 43.529 42.059 -0.052 0.000 1.214 201 L HN 0.825 nan 8.230 nan 0.000 0.426 202 A N 3.265 126.096 122.820 0.019 0.000 2.498 202 A HA 0.527 4.851 4.320 0.006 0.000 0.298 202 A C -1.036 176.662 177.584 0.190 0.000 1.075 202 A CA -0.702 51.373 52.037 0.064 0.000 0.714 202 A CB 0.783 19.827 19.000 0.073 0.000 1.299 202 A HN 0.755 nan 8.150 nan 0.000 0.407 203 H N 0.806 119.937 119.070 0.102 0.000 2.928 203 H HA 0.284 4.842 4.556 0.004 0.000 0.338 203 H C 0.977 176.278 175.328 -0.044 0.000 1.047 203 H CA 1.183 57.148 56.048 -0.139 0.000 1.435 203 H CB 0.919 30.569 29.762 -0.186 0.000 1.428 203 H HN 0.841 nan 8.280 nan 0.000 0.590 204 A N 2.599 125.392 122.820 -0.046 0.000 2.332 204 A HA 0.468 4.791 4.320 0.006 0.000 0.258 204 A C 0.411 177.913 177.584 -0.137 0.000 1.087 204 A CA -0.113 51.801 52.037 -0.206 0.000 0.802 204 A CB 0.159 19.006 19.000 -0.256 0.000 1.042 204 A HN 0.852 nan 8.150 nan 0.000 0.489 205 A N 2.134 124.852 122.820 -0.169 0.000 2.540 205 A HA 0.478 4.802 4.320 0.006 0.000 0.239 205 A C -2.126 175.400 177.584 -0.097 0.000 1.061 205 A CA -0.711 51.264 52.037 -0.103 0.000 0.758 205 A CB -0.918 18.028 19.000 -0.090 0.000 0.991 205 A HN 0.629 nan 8.150 nan 0.000 0.502 206 P HA 0.276 nan 4.420 nan 0.000 0.266 206 P C -0.070 177.195 177.300 -0.058 0.000 1.195 206 P CA 0.318 63.374 63.100 -0.074 0.000 0.768 206 P CB 0.606 32.263 31.700 -0.073 0.000 0.838 207 A N 2.928 125.718 122.820 -0.049 0.000 2.462 207 A HA 0.329 4.652 4.320 0.006 0.000 0.243 207 A C 0.132 177.700 177.584 -0.028 0.000 1.076 207 A CA -0.352 51.664 52.037 -0.034 0.000 0.773 207 A CB -0.211 18.775 19.000 -0.023 0.000 1.010 207 A HN 0.450 nan 8.150 nan 0.000 0.493 208 V N 1.844 121.746 119.914 -0.021 0.000 2.368 208 V HA 0.414 4.537 4.120 0.006 0.000 0.266 208 V C -2.491 173.598 176.094 -0.009 0.000 1.045 208 V CA -1.926 60.364 62.300 -0.016 0.000 0.899 208 V CB 0.276 32.091 31.823 -0.013 0.000 1.006 208 V HN 0.713 nan 8.190 nan 0.000 0.470 209 P HA 0.404 nan 4.420 nan 0.000 0.272 209 P C 1.130 178.430 177.300 0.000 0.000 1.223 209 P CA 1.033 64.132 63.100 -0.002 0.000 0.784 209 P CB 1.039 32.736 31.700 -0.004 0.000 0.923 210 G N 1.102 109.905 108.800 0.005 0.000 2.184 210 G HA2 -0.290 3.674 3.960 0.006 0.000 0.264 210 G HA3 -0.290 3.674 3.960 0.006 0.000 0.264 210 G C 0.737 175.641 174.900 0.007 0.000 0.975 210 G CA 0.608 45.712 45.100 0.007 0.000 0.642 210 G HN 0.719 nan 8.290 nan 0.000 0.536 211 S N -0.203 115.501 115.700 0.007 0.000 2.568 211 S HA 0.579 5.052 4.470 0.006 0.000 0.232 211 S C 1.212 175.819 174.600 0.011 0.000 0.975 211 S CA 0.742 58.946 58.200 0.007 0.000 0.949 211 S CB 0.646 63.847 63.200 0.002 0.000 0.829 211 S HN 1.527 nan 8.310 nan 0.000 0.479 212 G N 1.815 110.625 108.800 0.017 0.000 2.483 212 G HA2 0.413 4.377 3.960 0.006 0.000 0.248 212 G HA3 0.413 4.377 3.960 0.006 0.000 0.248 212 G C 0.191 175.107 174.900 0.026 0.000 1.248 212 G CA -0.740 44.375 45.100 0.024 0.000 0.838 212 G HN 0.577 nan 8.290 nan 0.000 0.566 213 K N 0.676 121.095 120.400 0.031 0.000 2.619 213 K HA 0.232 4.555 4.320 0.006 0.000 0.201 213 K C 0.633 177.259 176.600 0.043 0.000 1.090 213 K CA -0.677 55.629 56.287 0.032 0.000 1.063 213 K CB 0.531 33.046 32.500 0.024 0.000 0.810 213 K HN 0.361 nan 8.250 nan 0.000 0.506 214 R N 2.383 122.916 120.500 0.054 0.000 2.484 214 R HA 0.135 4.478 4.340 0.006 0.000 0.293 214 R C -2.066 174.280 176.300 0.077 0.000 1.023 214 R CA -1.156 54.987 56.100 0.073 0.000 1.037 214 R CB 0.195 30.549 30.300 0.090 0.000 0.951 214 R HN 0.088 nan 8.270 nan 0.000 0.418 215 P HA 0.153 nan 4.420 nan 0.000 0.272 215 P C -2.496 174.879 177.300 0.125 0.000 1.230 215 P CA -1.125 62.032 63.100 0.097 0.000 0.788 215 P CB 0.057 31.832 31.700 0.126 0.000 0.949 216 P HA -0.006 nan 4.420 nan 0.000 0.266 216 P C -0.534 176.917 177.300 0.253 0.000 1.195 216 P CA 0.126 63.299 63.100 0.121 0.000 0.768 216 P CB 0.183 31.912 31.700 0.049 0.000 0.838 217 V N 5.512 125.550 119.914 0.206 0.000 2.521 217 V HA 0.200 4.324 4.120 0.006 0.000 0.286 217 V C 0.737 176.990 176.094 0.264 0.000 1.034 217 V CA 0.606 63.033 62.300 0.212 0.000 1.045 217 V CB -0.556 31.351 31.823 0.140 0.000 0.974 217 V HN 0.811 nan 8.190 nan 0.000 0.480 218 H N 2.678 121.793 119.070 0.075 0.000 2.918 218 H HA 0.645 5.204 4.556 0.005 0.000 0.303 218 H C 0.184 175.557 175.328 0.075 0.000 1.380 218 H CA -0.286 55.802 56.048 0.066 0.000 1.134 218 H CB 1.161 30.956 29.762 0.056 0.000 1.842 218 H HN 1.040 nan 8.280 nan 0.000 0.533 219 G N 0.357 109.184 108.800 0.045 0.000 2.575 219 G HA2 -0.245 3.719 3.960 0.006 0.000 0.267 219 G HA3 -0.245 3.719 3.960 0.006 0.000 0.267 219 G C -0.677 174.240 174.900 0.028 0.000 1.264 219 G CA 0.145 45.245 45.100 0.000 0.000 0.935 219 G HN 0.822 nan 8.290 nan 0.000 0.568 220 S N -0.836 114.881 115.700 0.028 0.000 2.525 220 S HA 0.600 5.073 4.470 0.006 0.000 0.278 220 S C 0.036 174.618 174.600 -0.031 0.000 1.234 220 S CA -0.292 57.925 58.200 0.030 0.000 1.058 220 S CB 1.725 64.973 63.200 0.081 0.000 0.983 220 S HN 1.092 nan 8.310 nan 0.000 0.495 221 V N 4.098 123.979 119.914 -0.054 0.000 2.483 221 V HA 0.377 4.500 4.120 0.006 0.000 0.297 221 V C -0.675 175.401 176.094 -0.030 0.000 1.027 221 V CA -0.788 61.513 62.300 0.002 0.000 0.855 221 V CB 1.570 33.423 31.823 0.050 0.000 0.995 221 V HN 0.707 nan 8.190 nan 0.000 0.424 222 L N 7.046 128.275 121.223 0.010 0.000 2.265 222 L HA 0.595 4.938 4.340 0.006 0.000 0.288 222 L C -0.351 176.544 176.870 0.042 0.000 1.058 222 L CA 0.314 55.150 54.840 -0.007 0.000 0.809 222 L CB 1.364 43.423 42.059 -0.001 0.000 1.179 222 L HN 0.460 nan 8.230 nan 0.000 0.429 223 V N 4.458 124.374 119.914 0.004 0.000 2.304 223 V HA 0.354 4.477 4.120 0.006 0.000 0.278 223 V C 0.433 176.519 176.094 -0.013 0.000 1.018 223 V CA -0.427 61.875 62.300 0.003 0.000 0.814 223 V CB 1.025 32.823 31.823 -0.041 0.000 1.021 223 V HN 0.890 nan 8.190 nan 0.000 0.440 224 T N 1.000 115.556 114.554 0.004 0.000 2.913 224 T HA 0.496 4.850 4.350 0.006 0.000 0.297 224 T C 1.221 175.899 174.700 -0.037 0.000 1.029 224 T CA 0.496 62.610 62.100 0.024 0.000 1.104 224 T CB 1.326 70.286 68.868 0.153 0.000 0.964 224 T HN 1.834 nan 8.240 nan 0.000 0.532 225 G N 1.390 110.174 108.800 -0.026 0.000 2.225 225 G HA2 -0.193 3.770 3.960 0.006 0.000 0.267 225 G HA3 -0.193 3.770 3.960 0.006 0.000 0.267 225 G C 0.957 175.833 174.900 -0.041 0.000 1.024 225 G CA 0.307 45.382 45.100 -0.042 0.000 0.784 225 G HN 1.449 nan 8.290 nan 0.000 0.507 226 G N -0.494 108.286 108.800 -0.034 0.000 2.572 226 G HA2 0.160 4.123 3.960 0.006 0.000 0.216 226 G HA3 0.160 4.123 3.960 0.006 0.000 0.216 226 G C 1.630 176.509 174.900 -0.035 0.000 1.133 226 G CA 1.863 46.941 45.100 -0.038 0.000 0.791 226 G HN 1.270 nan 8.290 nan 0.000 0.538 227 T N -1.781 112.756 114.554 -0.028 0.000 3.100 227 T HA 0.359 4.712 4.350 0.006 0.000 0.253 227 T C 1.376 176.056 174.700 -0.035 0.000 1.118 227 T CA 0.340 62.424 62.100 -0.026 0.000 1.058 227 T CB 0.519 69.377 68.868 -0.016 0.000 0.953 227 T HN 0.217 nan 8.240 nan 0.000 0.515 228 G N 0.215 108.988 108.800 -0.045 0.000 2.543 228 G HA2 0.506 4.470 3.960 0.006 0.000 0.290 228 G HA3 0.506 4.470 3.960 0.006 0.000 0.290 228 G C 1.087 175.934 174.900 -0.088 0.000 1.310 228 G CA -0.380 44.684 45.100 -0.060 0.000 1.025 228 G HN 0.216 nan 8.290 nan 0.000 0.502 229 G N -0.410 108.317 108.800 -0.121 0.000 2.639 229 G HA2 -0.218 3.745 3.960 0.006 0.000 0.216 229 G HA3 -0.218 3.745 3.960 0.006 0.000 0.216 229 G C 1.644 176.398 174.900 -0.244 0.000 1.267 229 G CA 1.162 46.166 45.100 -0.160 0.000 0.801 229 G HN 0.481 nan 8.290 nan 0.000 0.592 230 I N 1.305 121.620 120.570 -0.424 0.000 2.353 230 I HA -0.019 4.155 4.170 0.006 0.000 0.248 230 I C 3.047 179.036 176.117 -0.212 0.000 1.119 230 I CA 0.845 61.761 61.300 -0.640 0.000 1.417 230 I CB -0.409 36.928 38.000 -1.105 0.000 1.078 230 I HN 0.292 nan 8.210 nan 0.000 0.421 231 G N 0.554 109.295 108.800 -0.097 0.000 2.408 231 G HA2 -0.162 3.802 3.960 0.006 0.000 0.217 231 G HA3 -0.162 3.802 3.960 0.006 0.000 0.217 231 G C 1.730 176.602 174.900 -0.047 0.000 1.150 231 G CA 0.764 45.853 45.100 -0.018 0.000 0.776 231 G HN 0.484 nan 8.290 nan 0.000 0.542 232 G N 0.521 109.285 108.800 -0.060 0.000 2.422 232 G HA2 -0.151 3.813 3.960 0.006 0.000 0.218 232 G HA3 -0.151 3.813 3.960 0.006 0.000 0.218 232 G C 1.969 176.848 174.900 -0.034 0.000 1.146 232 G CA 0.508 45.581 45.100 -0.045 0.000 0.769 232 G HN 0.237 nan 8.290 nan 0.000 0.547 233 R N 0.244 120.725 120.500 -0.031 0.000 2.075 233 R HA 0.011 4.355 4.340 0.006 0.000 0.232 233 R C 2.724 179.030 176.300 0.010 0.000 1.126 233 R CA 0.738 56.844 56.100 0.010 0.000 0.963 233 R CB -1.296 29.046 30.300 0.070 0.000 0.858 233 R HN 0.338 nan 8.270 nan 0.000 0.435 234 V N 1.555 121.469 119.914 -0.000 0.000 2.282 234 V HA -0.287 3.836 4.120 0.006 0.000 0.249 234 V C 2.566 178.582 176.094 -0.129 0.000 1.057 234 V CA 2.075 64.344 62.300 -0.051 0.000 1.032 234 V CB -0.961 30.846 31.823 -0.027 0.000 0.645 234 V HN 0.347 nan 8.190 nan 0.000 0.447 235 A N -0.237 122.520 122.820 -0.105 0.000 1.908 235 A HA -0.293 4.030 4.320 0.006 0.000 0.218 235 A C 2.427 179.975 177.584 -0.059 0.000 1.181 235 A CA 2.234 54.214 52.037 -0.096 0.000 0.627 235 A CB -0.624 18.337 19.000 -0.065 0.000 0.818 235 A HN 0.505 nan 8.150 nan 0.000 0.445 236 R N -0.553 119.927 120.500 -0.034 0.000 2.081 236 R HA -0.104 4.240 4.340 0.006 0.000 0.235 236 R C 2.362 178.656 176.300 -0.010 0.000 1.131 236 R CA 1.519 57.611 56.100 -0.014 0.000 0.960 236 R CB -0.228 30.071 30.300 -0.003 0.000 0.856 236 R HN 0.531 nan 8.270 nan 0.000 0.436 237 R N 0.118 120.610 120.500 -0.013 0.000 2.092 237 R HA -0.045 4.298 4.340 0.006 0.000 0.231 237 R C 2.384 178.675 176.300 -0.015 0.000 1.119 237 R CA 1.171 57.270 56.100 -0.001 0.000 0.970 237 R CB -0.234 30.074 30.300 0.014 0.000 0.864 237 R HN 0.250 nan 8.270 nan 0.000 0.440 238 L N 0.060 121.246 121.223 -0.061 0.000 2.083 238 L HA -0.158 4.185 4.340 0.006 0.000 0.209 238 L C 2.647 179.514 176.870 -0.005 0.000 1.083 238 L CA 1.220 56.030 54.840 -0.050 0.000 0.752 238 L CB -0.557 41.431 42.059 -0.119 0.000 0.899 238 L HN 0.242 nan 8.230 nan 0.000 0.433 239 A N -0.019 122.797 122.820 -0.007 0.000 1.902 239 A HA -0.231 4.093 4.320 0.006 0.000 0.217 239 A C 2.160 179.758 177.584 0.023 0.000 1.181 239 A CA 1.762 53.808 52.037 0.014 0.000 0.623 239 A CB -0.417 18.589 19.000 0.010 0.000 0.818 239 A HN 0.454 nan 8.150 nan 0.000 0.443 240 E N -0.547 119.664 120.200 0.019 0.000 2.150 240 E HA -0.185 4.169 4.350 0.006 0.000 0.193 240 E C 2.063 178.683 176.600 0.034 0.000 0.985 240 E CA 1.253 57.668 56.400 0.025 0.000 0.814 240 E CB -0.122 29.591 29.700 0.023 0.000 0.752 240 E HN 0.741 nan 8.360 nan 0.000 0.466 241 Q N -1.154 118.669 119.800 0.039 0.000 2.451 241 Q HA 0.073 4.416 4.340 0.006 0.000 0.206 241 Q C 0.956 176.996 176.000 0.066 0.000 0.947 241 Q CA 0.612 56.446 55.803 0.053 0.000 0.937 241 Q CB 0.942 29.717 28.738 0.061 0.000 1.025 241 Q HN 0.376 nan 8.270 nan 0.000 0.511 242 G N -0.371 108.467 108.800 0.063 0.000 2.273 242 G HA2 -0.119 3.845 3.960 0.006 0.000 0.162 242 G HA3 -0.119 3.845 3.960 0.006 0.000 0.162 242 G C 0.130 175.085 174.900 0.092 0.000 1.006 242 G CA -0.369 44.778 45.100 0.078 0.000 0.704 242 G HN 0.416 nan 8.290 nan 0.000 0.487 243 A N 0.484 123.349 122.820 0.076 0.000 2.531 243 A HA 0.662 4.986 4.320 0.006 0.000 0.236 243 A C 1.657 179.291 177.584 0.083 0.000 1.062 243 A CA 1.355 53.435 52.037 0.072 0.000 0.760 243 A CB 0.579 19.603 19.000 0.041 0.000 0.995 243 A HN 1.697 nan 8.150 nan 0.000 0.501 244 A N 1.072 123.952 122.820 0.100 0.000 2.030 244 A HA 0.309 4.633 4.320 0.006 0.000 0.215 244 A C 0.809 178.484 177.584 0.152 0.000 1.164 244 A CA 1.482 53.583 52.037 0.106 0.000 0.697 244 A CB -0.123 18.939 19.000 0.103 0.000 0.827 244 A HN 1.139 nan 8.150 nan 0.000 0.457 245 H N -0.688 118.393 119.070 0.018 0.000 2.966 245 H HA 0.542 5.102 4.556 0.006 0.000 0.347 245 H C -1.799 173.535 175.328 0.010 0.000 1.048 245 H CA -1.233 54.824 56.048 0.013 0.000 1.295 245 H CB 0.720 30.490 29.762 0.014 0.000 1.744 245 H HN -0.030 nan 8.280 nan 0.000 0.513 246 L N 6.164 127.378 121.223 -0.015 0.000 2.272 246 L HA 0.395 4.738 4.340 0.006 0.000 0.289 246 L C -0.492 176.218 176.870 -0.266 0.000 1.032 246 L CA -0.834 53.925 54.840 -0.134 0.000 0.810 246 L CB 1.484 43.517 42.059 -0.044 0.000 1.205 246 L HN 0.489 nan 8.230 nan 0.000 0.422 247 V N 5.964 125.692 119.914 -0.309 0.000 2.311 247 V HA 0.401 4.524 4.120 0.006 0.000 0.275 247 V C 0.229 176.260 176.094 -0.106 0.000 1.022 247 V CA -0.504 61.651 62.300 -0.242 0.000 0.830 247 V CB 1.619 33.289 31.823 -0.256 0.000 1.012 247 V HN 0.482 nan 8.190 nan 0.000 0.452 248 L N 5.296 126.481 121.223 -0.062 0.000 2.307 248 L HA 0.753 5.096 4.340 0.006 0.000 0.284 248 L C 0.437 177.296 176.870 -0.018 0.000 1.023 248 L CA -0.253 54.565 54.840 -0.037 0.000 0.810 248 L CB 1.948 43.990 42.059 -0.029 0.000 1.231 248 L HN 0.729 nan 8.230 nan 0.000 0.423 249 T N -0.510 114.038 114.554 -0.010 0.000 2.908 249 T HA 0.869 5.222 4.350 0.006 0.000 0.290 249 T C -0.332 174.371 174.700 0.006 0.000 1.034 249 T CA -0.604 61.498 62.100 0.004 0.000 1.010 249 T CB 2.142 71.019 68.868 0.016 0.000 1.068 249 T HN 0.750 nan 8.240 nan 0.000 0.481 250 S N 0.975 116.681 115.700 0.011 0.000 2.615 250 S HA 0.432 4.905 4.470 0.006 0.000 0.268 250 S C 0.493 175.104 174.600 0.018 0.000 1.146 250 S CA -1.247 56.960 58.200 0.013 0.000 0.818 250 S CB 1.326 64.528 63.200 0.003 0.000 1.111 250 S HN 0.780 nan 8.310 nan 0.000 0.465 251 R N 0.293 120.806 120.500 0.022 0.000 2.120 251 R HA 0.078 4.421 4.340 0.006 0.000 0.234 251 R C 2.085 178.395 176.300 0.017 0.000 1.123 251 R CA 1.470 57.584 56.100 0.024 0.000 0.975 251 R CB -0.261 30.056 30.300 0.029 0.000 0.866 251 R HN 0.568 nan 8.270 nan 0.000 0.446 252 R N -0.242 120.265 120.500 0.013 0.000 2.240 252 R HA 0.091 4.434 4.340 0.006 0.000 0.203 252 R C 1.407 177.711 176.300 0.007 0.000 1.011 252 R CA 0.413 56.518 56.100 0.008 0.000 1.007 252 R CB 0.054 30.357 30.300 0.004 0.000 0.911 252 R HN 0.323 nan 8.270 nan 0.000 0.468 253 G N 1.150 109.954 108.800 0.007 0.000 2.685 253 G HA2 -0.468 3.496 3.960 0.006 0.000 0.329 253 G HA3 -0.468 3.496 3.960 0.006 0.000 0.329 253 G C 0.899 175.802 174.900 0.005 0.000 1.271 253 G CA 0.665 45.770 45.100 0.007 0.000 1.003 253 G HN 0.434 nan 8.290 nan 0.000 0.549 254 A N -0.581 122.243 122.820 0.006 0.000 2.239 254 A HA 0.270 4.593 4.320 0.006 0.000 0.209 254 A C 1.702 179.288 177.584 0.003 0.000 1.171 254 A CA 1.981 54.022 52.037 0.005 0.000 0.768 254 A CB -0.164 18.841 19.000 0.008 0.000 0.790 254 A HN 0.505 nan 8.150 nan 0.000 0.478 255 D N 0.172 120.574 120.400 0.003 0.000 2.339 255 D HA 0.277 4.920 4.640 0.006 0.000 0.217 255 D C 0.826 177.125 176.300 -0.002 0.000 1.050 255 D CA 0.580 54.581 54.000 0.001 0.000 0.856 255 D CB 0.090 40.890 40.800 0.001 0.000 0.922 255 D HN 0.424 nan 8.370 nan 0.000 0.518 256 A N 1.756 124.575 122.820 -0.002 0.000 2.407 256 A HA 0.367 4.690 4.320 0.006 0.000 0.248 256 A C -2.175 175.404 177.584 -0.008 0.000 1.082 256 A CA -0.959 51.075 52.037 -0.005 0.000 0.785 256 A CB -0.120 18.877 19.000 -0.006 0.000 1.020 256 A HN -0.101 nan 8.150 nan 0.000 0.489 257 P HA 0.198 nan 4.420 nan 0.000 0.261 257 P C 1.033 178.325 177.300 -0.013 0.000 1.173 257 P CA 1.903 64.996 63.100 -0.013 0.000 0.760 257 P CB 0.407 32.097 31.700 -0.016 0.000 0.783 258 G N 2.867 111.660 108.800 -0.011 0.000 2.189 258 G HA2 -0.365 3.599 3.960 0.006 0.000 0.267 258 G HA3 -0.365 3.599 3.960 0.006 0.000 0.267 258 G C 1.202 176.097 174.900 -0.009 0.000 0.975 258 G CA 0.518 45.612 45.100 -0.011 0.000 0.644 258 G HN 0.684 nan 8.290 nan 0.000 0.537 259 A N 0.175 122.991 122.820 -0.007 0.000 1.933 259 A HA 0.354 4.677 4.320 0.006 0.000 0.218 259 A C 2.831 180.414 177.584 -0.002 0.000 1.175 259 A CA 2.638 54.672 52.037 -0.005 0.000 0.628 259 A CB -0.803 18.195 19.000 -0.003 0.000 0.814 259 A HN 1.779 nan 8.150 nan 0.000 0.444 260 A N -0.319 122.500 122.820 -0.001 0.000 1.898 260 A HA -0.095 4.228 4.320 0.006 0.000 0.216 260 A C 1.896 179.480 177.584 0.001 0.000 1.181 260 A CA 1.709 53.747 52.037 0.001 0.000 0.620 260 A CB -0.396 18.604 19.000 0.001 0.000 0.819 260 A HN 0.424 nan 8.150 nan 0.000 0.442 261 E N 0.157 120.356 120.200 -0.001 0.000 2.058 261 E HA -0.194 4.160 4.350 0.006 0.000 0.194 261 E C 2.046 178.645 176.600 -0.001 0.000 0.997 261 E CA 1.158 57.557 56.400 -0.002 0.000 0.801 261 E CB -0.830 28.868 29.700 -0.004 0.000 0.746 261 E HN 0.648 nan 8.360 nan 0.000 0.450 262 L N 0.662 121.884 121.223 -0.003 0.000 2.046 262 L HA -0.169 4.174 4.340 0.006 0.000 0.208 262 L C 2.718 179.588 176.870 0.000 0.000 1.077 262 L CA 1.441 56.279 54.840 -0.004 0.000 0.747 262 L CB -0.122 41.931 42.059 -0.009 0.000 0.896 262 L HN 0.090 nan 8.230 nan 0.000 0.432 263 R N -0.054 120.448 120.500 0.003 0.000 2.096 263 R HA -0.233 4.110 4.340 0.006 0.000 0.240 263 R C 2.187 178.493 176.300 0.011 0.000 1.139 263 R CA 1.867 57.972 56.100 0.010 0.000 0.952 263 R CB -0.387 29.920 30.300 0.012 0.000 0.854 263 R HN 0.546 nan 8.270 nan 0.000 0.436 264 A N 0.618 123.443 122.820 0.008 0.000 1.898 264 A HA -0.200 4.123 4.320 0.006 0.000 0.216 264 A C 2.020 179.609 177.584 0.007 0.000 1.181 264 A CA 1.566 53.607 52.037 0.007 0.000 0.620 264 A CB -0.577 18.426 19.000 0.005 0.000 0.819 264 A HN 0.605 nan 8.150 nan 0.000 0.442 265 E N -0.492 119.711 120.200 0.005 0.000 2.085 265 E HA -0.217 4.137 4.350 0.006 0.000 0.194 265 E C 1.685 178.290 176.600 0.008 0.000 0.994 265 E CA 1.472 57.875 56.400 0.005 0.000 0.801 265 E CB -0.155 29.546 29.700 0.002 0.000 0.743 265 E HN 0.437 nan 8.360 nan 0.000 0.453 266 L N 1.078 122.306 121.223 0.009 0.000 2.109 266 L HA -0.090 4.253 4.340 0.006 0.000 0.207 266 L C 2.110 178.992 176.870 0.020 0.000 1.086 266 L CA 1.549 56.397 54.840 0.013 0.000 0.760 266 L CB -0.652 41.416 42.059 0.014 0.000 0.910 266 L HN 0.107 nan 8.230 nan 0.000 0.437 267 E N -0.647 119.564 120.200 0.019 0.000 2.153 267 E HA -0.209 4.145 4.350 0.006 0.000 0.194 267 E C 2.116 178.726 176.600 0.016 0.000 0.988 267 E CA 0.616 57.028 56.400 0.020 0.000 0.811 267 E CB -0.089 29.622 29.700 0.018 0.000 0.746 267 E HN 0.482 nan 8.360 nan 0.000 0.466 268 Q N 0.182 119.990 119.800 0.013 0.000 2.226 268 Q HA -0.097 4.246 4.340 0.006 0.000 0.204 268 Q C 2.024 178.032 176.000 0.013 0.000 0.975 268 Q CA 0.875 56.685 55.803 0.011 0.000 0.866 268 Q CB 0.006 28.750 28.738 0.009 0.000 0.915 268 Q HN 0.388 nan 8.270 nan 0.000 0.440 269 L N -0.682 120.551 121.223 0.015 0.000 2.599 269 L HA 0.073 4.417 4.340 0.006 0.000 0.230 269 L C 1.064 177.947 176.870 0.022 0.000 1.141 269 L CA 0.489 55.339 54.840 0.018 0.000 0.877 269 L CB -0.176 41.894 42.059 0.018 0.000 1.009 269 L HN 0.311 nan 8.230 nan 0.000 0.447 270 G N 0.578 109.391 108.800 0.021 0.000 2.132 270 G HA2 -0.233 3.730 3.960 0.006 0.000 0.234 270 G HA3 -0.233 3.730 3.960 0.006 0.000 0.234 270 G C 0.179 175.097 174.900 0.030 0.000 0.989 270 G CA 0.129 45.243 45.100 0.023 0.000 0.676 270 G HN 0.251 nan 8.290 nan 0.000 0.522 271 V N -2.357 117.578 119.914 0.036 0.000 2.612 271 V HA 0.840 4.964 4.120 0.006 0.000 0.301 271 V C 0.777 176.906 176.094 0.059 0.000 1.046 271 V CA -1.134 61.197 62.300 0.053 0.000 0.946 271 V CB 1.692 33.550 31.823 0.058 0.000 1.003 271 V HN 0.519 nan 8.190 nan 0.000 0.459 272 R N 2.265 122.809 120.500 0.074 0.000 2.543 272 R HA 0.619 4.962 4.340 0.006 0.000 0.277 272 R C -1.301 175.122 176.300 0.205 0.000 1.074 272 R CA -0.261 55.880 56.100 0.068 0.000 1.076 272 R CB 1.280 31.535 30.300 -0.075 0.000 0.993 272 R HN 0.758 nan 8.270 nan 0.000 0.459 273 V N 3.243 123.254 119.914 0.163 0.000 2.531 273 V HA 0.305 4.429 4.120 0.006 0.000 0.301 273 V C -0.582 175.610 176.094 0.163 0.000 1.034 273 V CA -0.696 61.697 62.300 0.155 0.000 0.865 273 V CB 2.168 34.034 31.823 0.073 0.000 0.995 273 V HN 0.845 nan 8.190 nan 0.000 0.424 274 T N 6.158 120.811 114.554 0.165 0.000 2.792 274 T HA 0.672 5.026 4.350 0.006 0.000 0.280 274 T C -0.406 174.318 174.700 0.040 0.000 0.990 274 T CA -0.192 61.982 62.100 0.123 0.000 0.960 274 T CB 1.082 70.070 68.868 0.201 0.000 0.939 274 T HN 0.412 nan 8.240 nan 0.000 0.439 275 I N 2.815 123.405 120.570 0.034 0.000 2.382 275 I HA 0.659 4.832 4.170 0.006 0.000 0.286 275 I C 0.007 176.134 176.117 0.017 0.000 1.002 275 I CA -0.933 60.377 61.300 0.016 0.000 1.135 275 I CB 1.409 39.416 38.000 0.012 0.000 1.288 275 I HN 0.645 nan 8.210 nan 0.000 0.448 276 A N 4.892 127.720 122.820 0.013 0.000 2.355 276 A HA 0.864 5.188 4.320 0.006 0.000 0.317 276 A C -0.318 177.274 177.584 0.014 0.000 1.094 276 A CA -0.650 51.396 52.037 0.016 0.000 0.764 276 A CB 1.522 20.532 19.000 0.017 0.000 1.230 276 A HN 0.776 nan 8.150 nan 0.000 0.448 277 A N 0.901 123.730 122.820 0.015 0.000 2.343 277 A HA 0.529 4.852 4.320 0.006 0.000 0.305 277 A C -0.284 177.312 177.584 0.019 0.000 1.308 277 A CA -0.245 51.801 52.037 0.016 0.000 0.949 277 A CB -0.553 18.455 19.000 0.014 0.000 1.148 277 A HN 1.612 nan 8.150 nan 0.000 0.545 278 C N 3.896 123.210 119.300 0.024 0.000 2.892 278 C HA 0.284 4.747 4.460 0.006 0.000 0.360 278 C C -0.624 174.389 174.990 0.039 0.000 1.054 278 C CA -0.913 58.123 59.018 0.029 0.000 1.326 278 C CB 0.011 27.768 27.740 0.029 0.000 1.806 278 C HN 0.925 nan 8.230 nan 0.000 0.490 279 D N 3.104 123.529 120.400 0.042 0.000 2.487 279 D HA 0.126 4.769 4.640 0.006 0.000 0.243 279 D C 1.160 177.504 176.300 0.074 0.000 1.154 279 D CA 0.795 54.828 54.000 0.054 0.000 0.876 279 D CB 1.644 42.475 40.800 0.052 0.000 1.161 279 D HN 0.775 nan 8.370 nan 0.000 0.478 280 A N 3.889 126.762 122.820 0.088 0.000 2.121 280 A HA -0.004 4.320 4.320 0.006 0.000 0.218 280 A C 1.855 179.523 177.584 0.139 0.000 1.154 280 A CA 1.452 53.558 52.037 0.115 0.000 0.679 280 A CB -0.098 19.002 19.000 0.167 0.000 0.795 280 A HN 0.608 nan 8.150 nan 0.000 0.458 281 A N -0.655 122.242 122.820 0.129 0.000 2.278 281 A HA 0.166 4.490 4.320 0.006 0.000 0.212 281 A C 0.604 178.343 177.584 0.258 0.000 1.213 281 A CA 0.411 52.548 52.037 0.167 0.000 0.840 281 A CB -0.193 18.850 19.000 0.072 0.000 0.866 281 A HN 0.331 nan 8.150 nan 0.000 0.489 282 D N 0.281 120.776 120.400 0.160 0.000 2.428 282 D HA 0.139 4.782 4.640 0.006 0.000 0.221 282 D C 1.137 177.430 176.300 -0.012 0.000 1.123 282 D CA -0.385 53.660 54.000 0.074 0.000 0.869 282 D CB 0.406 41.233 40.800 0.045 0.000 1.032 282 D HN 0.295 nan 8.370 nan 0.000 0.506 283 R N 2.774 123.146 120.500 -0.213 0.000 2.096 283 R HA -0.172 4.172 4.340 0.006 0.000 0.235 283 R C 1.085 177.274 176.300 -0.184 0.000 1.127 283 R CA 1.432 57.274 56.100 -0.430 0.000 0.968 283 R CB 0.332 30.149 30.300 -0.805 0.000 0.861 283 R HN 0.352 nan 8.270 nan 0.000 0.440 284 E N -0.115 120.016 120.200 -0.116 0.000 2.072 284 E HA -0.110 4.244 4.350 0.006 0.000 0.191 284 E C 1.772 178.349 176.600 -0.037 0.000 0.985 284 E CA 1.441 57.803 56.400 -0.064 0.000 0.801 284 E CB -0.101 29.576 29.700 -0.040 0.000 0.750 284 E HN 0.448 nan 8.360 nan 0.000 0.452 285 A N 0.478 123.284 122.820 -0.024 0.000 1.930 285 A HA -0.130 4.194 4.320 0.006 0.000 0.217 285 A C 2.122 179.706 177.584 -0.000 0.000 1.175 285 A CA 1.135 53.169 52.037 -0.004 0.000 0.627 285 A CB -0.591 18.415 19.000 0.010 0.000 0.815 285 A HN 0.292 nan 8.150 nan 0.000 0.443 286 L N -0.096 121.125 121.223 -0.004 0.000 2.046 286 L HA -0.076 4.267 4.340 0.006 0.000 0.208 286 L C 2.597 179.466 176.870 -0.002 0.000 1.077 286 L CA 2.296 57.140 54.840 0.006 0.000 0.747 286 L CB -0.772 41.298 42.059 0.018 0.000 0.896 286 L HN 0.322 nan 8.230 nan 0.000 0.432 287 A N -0.397 122.410 122.820 -0.022 0.000 1.902 287 A HA -0.092 4.231 4.320 0.006 0.000 0.217 287 A C 2.465 180.045 177.584 -0.006 0.000 1.181 287 A CA 1.825 53.850 52.037 -0.019 0.000 0.623 287 A CB -1.203 17.776 19.000 -0.035 0.000 0.818 287 A HN 0.607 nan 8.150 nan 0.000 0.443 288 A N -0.624 122.193 122.820 -0.005 0.000 1.902 288 A HA -0.040 4.283 4.320 0.006 0.000 0.217 288 A C 2.140 179.732 177.584 0.013 0.000 1.181 288 A CA 1.702 53.741 52.037 0.003 0.000 0.623 288 A CB -0.587 18.414 19.000 0.003 0.000 0.818 288 A HN 0.616 nan 8.150 nan 0.000 0.443 289 L N -0.290 120.942 121.223 0.015 0.000 2.056 289 L HA -0.074 4.270 4.340 0.006 0.000 0.207 289 L C 2.265 179.152 176.870 0.029 0.000 1.078 289 L CA 1.555 56.409 54.840 0.024 0.000 0.749 289 L CB -0.326 41.745 42.059 0.019 0.000 0.901 289 L HN 0.406 nan 8.230 nan 0.000 0.433 290 L N -0.870 120.366 121.223 0.021 0.000 2.141 290 L HA -0.105 4.238 4.340 0.006 0.000 0.209 290 L C 2.480 179.365 176.870 0.025 0.000 1.094 290 L CA 0.917 55.772 54.840 0.024 0.000 0.763 290 L CB -0.815 41.254 42.059 0.017 0.000 0.908 290 L HN 0.336 nan 8.230 nan 0.000 0.437 291 A N 0.333 123.165 122.820 0.019 0.000 2.167 291 A HA -0.111 4.212 4.320 0.006 0.000 0.214 291 A C 1.714 179.311 177.584 0.023 0.000 1.151 291 A CA 0.899 52.946 52.037 0.016 0.000 0.735 291 A CB -0.311 18.695 19.000 0.009 0.000 0.802 291 A HN 0.605 nan 8.150 nan 0.000 0.467 292 E N -0.035 120.184 120.200 0.032 0.000 2.569 292 E HA 0.330 4.684 4.350 0.006 0.000 0.205 292 E C -0.395 176.237 176.600 0.054 0.000 1.006 292 E CA -0.511 55.910 56.400 0.036 0.000 0.985 292 E CB -0.229 29.491 29.700 0.032 0.000 1.060 292 E HN 0.466 nan 8.360 nan 0.000 0.460 293 L N 1.846 123.109 121.223 0.068 0.000 2.473 293 L HA 0.254 4.597 4.340 0.006 0.000 0.268 293 L C -1.899 175.004 176.870 0.055 0.000 1.215 293 L CA -1.864 53.037 54.840 0.102 0.000 0.823 293 L CB -0.160 41.964 42.059 0.109 0.000 1.099 293 L HN -0.007 nan 8.230 nan 0.000 0.483 294 P HA 0.078 nan 4.420 nan 0.000 0.271 294 P C -0.028 177.281 177.300 0.016 0.000 1.218 294 P CA -0.256 62.839 63.100 -0.008 0.000 0.780 294 P CB 0.705 32.368 31.700 -0.062 0.000 0.901 295 E N 1.071 121.277 120.200 0.010 0.000 2.153 295 E HA -0.198 4.156 4.350 0.006 0.000 0.194 295 E C 1.046 177.662 176.600 0.026 0.000 0.988 295 E CA 1.434 57.845 56.400 0.018 0.000 0.811 295 E CB -0.227 29.481 29.700 0.014 0.000 0.746 295 E HN 0.559 nan 8.360 nan 0.000 0.466 296 D N -0.936 119.477 120.400 0.022 0.000 2.340 296 D HA 0.048 4.692 4.640 0.006 0.000 0.220 296 D C -0.065 176.265 176.300 0.050 0.000 1.039 296 D CA 0.217 54.236 54.000 0.032 0.000 0.866 296 D CB 0.405 41.218 40.800 0.021 0.000 0.913 296 D HN 0.050 nan 8.370 nan 0.000 0.523 297 A N 1.196 124.048 122.820 0.053 0.000 3.370 297 A HA 0.401 4.725 4.320 0.006 0.000 0.295 297 A C -2.722 174.910 177.584 0.080 0.000 1.030 297 A CA -1.061 51.023 52.037 0.078 0.000 0.883 297 A CB 0.632 19.688 19.000 0.094 0.000 1.191 297 A HN 0.015 nan 8.150 nan 0.000 0.507 298 P HA 0.075 nan 4.420 nan 0.000 0.271 298 P C 0.279 177.593 177.300 0.023 0.000 1.233 298 P CA -0.136 62.992 63.100 0.046 0.000 0.789 298 P CB 0.912 32.638 31.700 0.042 0.000 0.951 299 L N 2.050 123.287 121.223 0.022 0.000 2.513 299 L HA 0.021 4.364 4.340 0.006 0.000 0.272 299 L C 1.280 178.136 176.870 -0.022 0.000 1.187 299 L CA 0.524 55.367 54.840 0.004 0.000 0.895 299 L CB 0.396 42.467 42.059 0.020 0.000 1.147 299 L HN 0.585 nan 8.230 nan 0.000 0.483 300 T N 0.795 115.313 114.554 -0.061 0.000 2.969 300 T HA 0.510 4.863 4.350 0.006 0.000 0.250 300 T C 0.245 174.939 174.700 -0.010 0.000 1.021 300 T CA 0.300 62.344 62.100 -0.093 0.000 1.003 300 T CB 0.496 69.167 68.868 -0.329 0.000 1.040 300 T HN 0.693 nan 8.240 nan 0.000 0.492 301 A N 0.318 123.155 122.820 0.028 0.000 2.605 301 A HA 0.692 5.016 4.320 0.006 0.000 0.294 301 A C -1.665 175.956 177.584 0.062 0.000 1.062 301 A CA -0.685 51.387 52.037 0.058 0.000 0.682 301 A CB 1.661 20.749 19.000 0.147 0.000 1.278 301 A HN 0.261 nan 8.150 nan 0.000 0.410 302 V N 1.076 120.962 119.914 -0.046 0.000 2.604 302 V HA 0.654 4.777 4.120 0.006 0.000 0.305 302 V C -1.437 174.449 176.094 -0.348 0.000 1.043 302 V CA -0.299 61.933 62.300 -0.114 0.000 0.888 302 V CB 1.496 33.194 31.823 -0.208 0.000 0.995 302 V HN 0.700 nan 8.190 nan 0.000 0.429 303 F N 2.975 122.796 119.950 -0.215 0.000 2.445 303 F HA 0.427 4.958 4.527 0.006 0.000 0.348 303 F C 0.048 175.610 175.800 -0.397 0.000 1.125 303 F CA -0.611 57.189 58.000 -0.333 0.000 0.983 303 F CB 1.154 39.999 39.000 -0.258 0.000 1.198 303 F HN 0.565 nan 8.300 nan 0.000 0.436 304 H N 1.622 120.385 119.070 -0.511 0.000 2.746 304 H HA 0.287 4.847 4.556 0.005 0.000 0.269 304 H C 0.468 175.537 175.328 -0.431 0.000 1.248 304 H CA -0.238 55.576 56.048 -0.391 0.000 1.258 304 H CB 1.084 30.642 29.762 -0.339 0.000 1.441 304 H HN 0.509 nan 8.280 nan 0.000 0.508 305 S N 2.848 118.238 115.700 -0.517 0.000 2.540 305 S HA 0.376 4.849 4.470 0.006 0.000 0.218 305 S C 0.667 175.126 174.600 -0.234 0.000 0.977 305 S CA 0.085 58.102 58.200 -0.306 0.000 0.918 305 S CB -0.202 62.910 63.200 -0.145 0.000 0.806 305 S HN 0.779 nan 8.310 nan 0.000 0.496 306 A N 0.822 123.423 122.820 -0.365 0.000 2.498 306 A HA 0.596 4.920 4.320 0.006 0.000 0.239 306 A C 0.704 178.177 177.584 -0.184 0.000 1.068 306 A CA 0.568 52.485 52.037 -0.199 0.000 0.766 306 A CB -0.356 18.591 19.000 -0.088 0.000 1.003 306 A HN 0.788 nan 8.150 nan 0.000 0.497 307 G N -0.513 108.257 108.800 -0.051 0.000 2.361 307 G HA2 0.600 4.563 3.960 0.006 0.000 0.299 307 G HA3 0.600 4.563 3.960 0.006 0.000 0.299 307 G C -1.040 173.882 174.900 0.037 0.000 1.544 307 G CA 0.054 45.161 45.100 0.012 0.000 0.860 307 G HN 2.095 nan 8.290 nan 0.000 0.610 308 V N -2.040 117.894 119.914 0.033 0.000 2.962 308 V HA 0.964 5.087 4.120 0.006 0.000 0.313 308 V C 0.561 176.597 176.094 -0.097 0.000 1.099 308 V CA 0.005 62.264 62.300 -0.069 0.000 0.971 308 V CB 1.479 33.128 31.823 -0.289 0.000 1.028 308 V HN 2.247 nan 8.190 nan 0.000 0.430 309 A N 0.787 123.442 122.820 -0.275 0.000 2.390 309 A HA 0.341 4.664 4.320 0.006 0.000 0.225 309 A C 0.817 178.206 177.584 -0.325 0.000 1.232 309 A CA 0.264 51.966 52.037 -0.558 0.000 0.964 309 A CB -0.335 18.110 19.000 -0.926 0.000 1.064 309 A HN 1.174 nan 8.150 nan 0.000 0.525 310 H N -0.686 118.298 119.070 -0.143 0.000 2.603 310 H HA 0.254 4.813 4.556 0.006 0.000 0.370 310 H C -0.922 174.369 175.328 -0.062 0.000 1.225 310 H CA 0.520 56.510 56.048 -0.097 0.000 1.410 310 H CB 0.341 30.062 29.762 -0.069 0.000 1.495 310 H HN 0.193 nan 8.280 nan 0.000 0.602 311 D N 0.223 120.693 120.400 0.118 0.000 2.800 311 D HA -0.162 4.482 4.640 0.006 0.000 0.232 311 D C -0.405 175.887 176.300 -0.013 0.000 1.137 311 D CA 1.022 55.059 54.000 0.062 0.000 0.718 311 D CB -0.738 40.137 40.800 0.126 0.000 1.084 311 D HN 0.623 nan 8.370 nan 0.000 0.432 312 D N -0.451 119.933 120.400 -0.025 0.000 2.478 312 D HA 0.796 5.439 4.640 0.006 0.000 0.263 312 D C -0.119 176.171 176.300 -0.015 0.000 1.153 312 D CA -0.027 53.960 54.000 -0.023 0.000 1.038 312 D CB 1.664 42.449 40.800 -0.027 0.000 1.120 312 D HN 0.193 nan 8.370 nan 0.000 0.564 313 A N 0.326 123.138 122.820 -0.014 0.000 2.601 313 A HA 0.586 4.909 4.320 0.006 0.000 0.291 313 A C -2.817 174.759 177.584 -0.014 0.000 1.075 313 A CA -1.117 50.911 52.037 -0.014 0.000 0.671 313 A CB 1.059 20.050 19.000 -0.015 0.000 1.277 313 A HN 0.347 nan 8.150 nan 0.000 0.417 314 P HA 0.169 nan 4.420 nan 0.000 0.267 314 P C 1.227 178.531 177.300 0.007 0.000 1.201 314 P CA -0.066 63.024 63.100 -0.016 0.000 0.775 314 P CB 0.441 32.129 31.700 -0.020 0.000 0.854 315 V N 2.379 122.305 119.914 0.021 0.000 2.317 315 V HA -0.339 3.784 4.120 0.006 0.000 0.251 315 V C 2.276 178.413 176.094 0.071 0.000 1.065 315 V CA 2.806 65.137 62.300 0.052 0.000 1.049 315 V CB -1.653 30.229 31.823 0.098 0.000 0.651 315 V HN 0.719 nan 8.190 nan 0.000 0.450 316 A N -1.167 121.732 122.820 0.132 0.000 2.172 316 A HA -0.149 4.174 4.320 0.006 0.000 0.216 316 A C 1.754 179.355 177.584 0.028 0.000 1.154 316 A CA 1.688 53.777 52.037 0.085 0.000 0.701 316 A CB -0.249 18.829 19.000 0.131 0.000 0.789 316 A HN 0.640 nan 8.150 nan 0.000 0.465 317 D N -1.739 118.671 120.400 0.016 0.000 2.489 317 D HA 0.128 4.771 4.640 0.006 0.000 0.231 317 D C 0.138 176.427 176.300 -0.018 0.000 1.114 317 D CA -0.320 53.677 54.000 -0.004 0.000 0.842 317 D CB 0.070 40.869 40.800 -0.003 0.000 1.133 317 D HN 0.335 nan 8.370 nan 0.000 0.506 318 L N 2.865 124.076 121.223 -0.019 0.000 2.540 318 L HA 0.098 4.442 4.340 0.006 0.000 0.276 318 L C 0.633 177.469 176.870 -0.057 0.000 1.212 318 L CA 0.478 55.298 54.840 -0.034 0.000 0.893 318 L CB 0.541 42.583 42.059 -0.030 0.000 1.138 318 L HN -0.028 nan 8.230 nan 0.000 0.491 319 T N 2.122 116.634 114.554 -0.071 0.000 2.927 319 T HA 0.341 4.694 4.350 0.006 0.000 0.281 319 T C 1.433 176.028 174.700 -0.175 0.000 0.998 319 T CA -0.774 61.261 62.100 -0.107 0.000 1.019 319 T CB 0.748 69.566 68.868 -0.084 0.000 1.061 319 T HN 0.587 nan 8.240 nan 0.000 0.518 320 L N 1.202 122.259 121.223 -0.276 0.000 2.131 320 L HA 0.077 4.420 4.340 0.006 0.000 0.210 320 L C 2.935 179.455 176.870 -0.583 0.000 1.092 320 L CA 1.523 56.038 54.840 -0.540 0.000 0.759 320 L CB -1.017 40.481 42.059 -0.934 0.000 0.903 320 L HN 1.005 nan 8.230 nan 0.000 0.435 321 G N -0.839 107.765 108.800 -0.328 0.000 2.408 321 G HA2 -0.225 3.738 3.960 0.006 0.000 0.217 321 G HA3 -0.225 3.738 3.960 0.006 0.000 0.217 321 G C 1.513 176.365 174.900 -0.080 0.000 1.150 321 G CA 0.228 45.265 45.100 -0.106 0.000 0.776 321 G HN 0.375 nan 8.290 nan 0.000 0.542 322 Q N -0.731 119.016 119.800 -0.088 0.000 2.079 322 Q HA -0.022 4.322 4.340 0.006 0.000 0.200 322 Q C 2.462 178.420 176.000 -0.071 0.000 0.974 322 Q CA 1.033 56.800 55.803 -0.060 0.000 0.840 322 Q CB -0.256 28.454 28.738 -0.048 0.000 0.898 322 Q HN 0.412 nan 8.270 nan 0.000 0.430 323 L N 1.133 122.293 121.223 -0.104 0.000 2.083 323 L HA -0.188 4.156 4.340 0.006 0.000 0.209 323 L C 1.641 178.465 176.870 -0.077 0.000 1.083 323 L CA 2.097 56.886 54.840 -0.086 0.000 0.752 323 L CB -0.536 41.456 42.059 -0.112 0.000 0.899 323 L HN 0.152 nan 8.230 nan 0.000 0.433 324 D N -0.737 119.605 120.400 -0.097 0.000 2.117 324 D HA -0.190 4.453 4.640 0.006 0.000 0.197 324 D C 2.132 178.422 176.300 -0.017 0.000 0.987 324 D CA 1.421 55.401 54.000 -0.033 0.000 0.829 324 D CB -0.015 40.806 40.800 0.035 0.000 0.961 324 D HN 0.451 nan 8.370 nan 0.000 0.460 325 A N -0.303 122.505 122.820 -0.020 0.000 2.015 325 A HA -0.052 4.271 4.320 0.006 0.000 0.219 325 A C 2.226 179.789 177.584 -0.036 0.000 1.163 325 A CA 0.801 52.826 52.037 -0.019 0.000 0.646 325 A CB -0.598 18.390 19.000 -0.020 0.000 0.806 325 A HN 0.358 nan 8.150 nan 0.000 0.448 326 L N -1.127 120.075 121.223 -0.035 0.000 2.179 326 L HA -0.082 4.261 4.340 0.006 0.000 0.208 326 L C 2.516 179.389 176.870 0.004 0.000 1.096 326 L CA 0.511 55.346 54.840 -0.009 0.000 0.779 326 L CB -0.285 41.784 42.059 0.017 0.000 0.922 326 L HN 0.299 nan 8.230 nan 0.000 0.443 327 M N -0.809 118.781 119.600 -0.018 0.000 2.288 327 M HA -0.110 4.373 4.480 0.006 0.000 0.266 327 M C 2.273 178.547 176.300 -0.042 0.000 1.072 327 M CA 1.270 56.547 55.300 -0.038 0.000 1.132 327 M CB -1.044 31.520 32.600 -0.060 0.000 1.386 327 M HN 0.185 nan 8.290 nan 0.000 0.432 328 R N 0.715 121.200 120.500 -0.025 0.000 2.083 328 R HA -0.116 4.227 4.340 0.006 0.000 0.237 328 R C 1.927 178.227 176.300 -0.000 0.000 1.137 328 R CA 1.978 58.066 56.100 -0.020 0.000 0.951 328 R CB -0.195 30.105 30.300 0.001 0.000 0.851 328 R HN 0.308 nan 8.270 nan 0.000 0.434 329 A N -0.007 122.832 122.820 0.032 0.000 2.206 329 A HA 0.001 4.325 4.320 0.006 0.000 0.211 329 A C 1.422 179.107 177.584 0.170 0.000 1.158 329 A CA 0.704 52.792 52.037 0.086 0.000 0.761 329 A CB 0.019 19.055 19.000 0.060 0.000 0.801 329 A HN 0.200 nan 8.150 nan 0.000 0.473 330 K N -1.005 119.458 120.400 0.103 0.000 2.290 330 K HA 0.248 4.571 4.320 0.006 0.000 0.225 330 K C 1.865 178.511 176.600 0.077 0.000 1.060 330 K CA 0.420 56.803 56.287 0.159 0.000 0.903 330 K CB -1.039 31.506 32.500 0.075 0.000 1.158 330 K HN 0.369 nan 8.250 nan 0.000 0.460 331 L N 1.773 122.914 121.223 -0.136 0.000 1.961 331 L HA -0.180 4.164 4.340 0.006 0.000 0.210 331 L C 2.256 178.915 176.870 -0.351 0.000 1.072 331 L CA 1.873 56.400 54.840 -0.521 0.000 0.749 331 L CB -0.583 41.060 42.059 -0.694 0.000 0.889 331 L HN 0.213 nan 8.230 nan 0.000 0.432 332 T N -0.007 114.386 114.554 -0.269 0.000 2.746 332 T HA -0.139 4.215 4.350 0.006 0.000 0.267 332 T C 1.840 176.284 174.700 -0.426 0.000 1.039 332 T CA 1.270 63.160 62.100 -0.350 0.000 1.142 332 T CB -0.438 68.288 68.868 -0.236 0.000 0.866 332 T HN 0.552 nan 8.240 nan 0.000 0.444 333 A N 1.429 124.140 122.820 -0.182 0.000 1.898 333 A HA 0.229 4.552 4.320 0.006 0.000 0.216 333 A C 2.641 180.112 177.584 -0.188 0.000 1.181 333 A CA 1.711 53.678 52.037 -0.117 0.000 0.620 333 A CB -1.085 17.936 19.000 0.034 0.000 0.819 333 A HN 0.497 nan 8.150 nan 0.000 0.442 334 A N -0.506 122.212 122.820 -0.170 0.000 1.930 334 A HA -0.137 4.186 4.320 0.006 0.000 0.217 334 A C 2.241 179.912 177.584 0.144 0.000 1.175 334 A CA 1.594 53.586 52.037 -0.076 0.000 0.627 334 A CB -0.481 18.588 19.000 0.114 0.000 0.815 334 A HN 0.536 nan 8.150 nan 0.000 0.443 335 R N -0.966 119.592 120.500 0.097 0.000 2.081 335 R HA -0.175 4.168 4.340 0.006 0.000 0.235 335 R C 1.998 178.407 176.300 0.182 0.000 1.131 335 R CA 1.876 58.070 56.100 0.157 0.000 0.960 335 R CB -0.456 29.861 30.300 0.029 0.000 0.856 335 R HN 0.801 nan 8.270 nan 0.000 0.436 336 H N -0.140 118.982 119.070 0.088 0.000 2.352 336 H HA -0.128 4.431 4.556 0.006 0.000 0.299 336 H C 2.222 177.590 175.328 0.067 0.000 1.097 336 H CA 1.475 57.556 56.048 0.055 0.000 1.311 336 H CB 0.001 29.778 29.762 0.024 0.000 1.377 336 H HN 0.171 nan 8.280 nan 0.000 0.504 337 L N -0.280 121.069 121.223 0.210 0.000 2.046 337 L HA -0.212 4.131 4.340 0.006 0.000 0.208 337 L C 2.636 179.703 176.870 0.328 0.000 1.077 337 L CA 1.431 56.408 54.840 0.229 0.000 0.747 337 L CB -0.373 41.765 42.059 0.132 0.000 0.896 337 L HN 0.384 nan 8.230 nan 0.000 0.432 338 H N 0.352 119.565 119.070 0.238 0.000 2.321 338 H HA -0.169 4.391 4.556 0.006 0.000 0.300 338 H C 2.097 177.400 175.328 -0.041 0.000 1.087 338 H CA 2.016 58.030 56.048 -0.056 0.000 1.319 338 H CB 0.075 29.823 29.762 -0.023 0.000 1.379 338 H HN 0.292 nan 8.280 nan 0.000 0.501 339 E N -0.010 120.078 120.200 -0.186 0.000 2.106 339 E HA -0.088 4.265 4.350 0.006 0.000 0.192 339 E C 2.065 178.576 176.600 -0.150 0.000 0.984 339 E CA 1.105 57.374 56.400 -0.218 0.000 0.806 339 E CB 0.050 29.754 29.700 0.008 0.000 0.750 339 E HN 0.484 nan 8.360 nan 0.000 0.458 340 L N 0.442 121.633 121.223 -0.054 0.000 2.554 340 L HA 0.010 4.353 4.340 0.006 0.000 0.226 340 L C 2.017 178.863 176.870 -0.040 0.000 1.137 340 L CA 0.991 55.811 54.840 -0.033 0.000 0.863 340 L CB -0.034 42.028 42.059 0.004 0.000 0.985 340 L HN 0.250 nan 8.230 nan 0.000 0.451 341 T N -5.564 108.949 114.554 -0.068 0.000 3.040 341 T HA 0.247 4.601 4.350 0.006 0.000 0.266 341 T C 1.590 176.199 174.700 -0.152 0.000 1.005 341 T CA 0.418 62.482 62.100 -0.060 0.000 0.906 341 T CB 0.559 69.453 68.868 0.043 0.000 1.082 341 T HN 0.103 nan 8.240 nan 0.000 0.531 342 A N 1.724 124.391 122.820 -0.255 0.000 2.070 342 A HA 0.011 4.334 4.320 0.006 0.000 0.220 342 A C 1.693 179.190 177.584 -0.146 0.000 1.159 342 A CA 1.395 53.267 52.037 -0.275 0.000 0.656 342 A CB -0.474 18.288 19.000 -0.396 0.000 0.800 342 A HN 0.461 nan 8.150 nan 0.000 0.453 343 D N -1.067 119.269 120.400 -0.105 0.000 2.363 343 D HA 0.221 4.865 4.640 0.006 0.000 0.214 343 D C 1.125 177.400 176.300 -0.041 0.000 1.093 343 D CA 0.171 54.133 54.000 -0.063 0.000 0.837 343 D CB 0.316 41.085 40.800 -0.051 0.000 0.948 343 D HN 0.421 nan 8.370 nan 0.000 0.507 344 L N -0.292 120.907 121.223 -0.039 0.000 2.616 344 L HA 0.126 4.469 4.340 0.006 0.000 0.229 344 L C 0.123 176.991 176.870 -0.004 0.000 1.110 344 L CA -0.057 54.775 54.840 -0.014 0.000 0.884 344 L CB 0.142 42.199 42.059 -0.004 0.000 1.115 344 L HN -0.118 nan 8.230 nan 0.000 0.481 345 D N 1.022 121.414 120.400 -0.014 0.000 2.705 345 D HA -0.170 4.473 4.640 0.006 0.000 0.240 345 D C -0.357 175.954 176.300 0.018 0.000 1.137 345 D CA 0.296 54.296 54.000 -0.000 0.000 0.677 345 D CB -0.731 40.074 40.800 0.008 0.000 1.049 345 D HN -0.076 nan 8.370 nan 0.000 0.427 346 L N 0.819 122.052 121.223 0.015 0.000 2.467 346 L HA 0.185 4.528 4.340 0.006 0.000 0.270 346 L C 1.884 178.782 176.870 0.046 0.000 1.205 346 L CA 0.335 55.197 54.840 0.038 0.000 0.828 346 L CB 0.434 42.534 42.059 0.067 0.000 1.101 346 L HN 0.016 nan 8.230 nan 0.000 0.479 347 D N 0.807 121.241 120.400 0.057 0.000 2.194 347 D HA 0.146 4.790 4.640 0.006 0.000 0.204 347 D C 0.262 176.596 176.300 0.058 0.000 0.964 347 D CA 1.037 55.080 54.000 0.071 0.000 0.846 347 D CB 0.316 41.178 40.800 0.104 0.000 0.962 347 D HN 0.551 nan 8.370 nan 0.000 0.490 348 A N -0.280 122.565 122.820 0.041 0.000 2.547 348 A HA 0.566 4.890 4.320 0.006 0.000 0.297 348 A C -1.865 175.718 177.584 -0.002 0.000 1.056 348 A CA -0.632 51.395 52.037 -0.017 0.000 0.688 348 A CB 1.312 20.249 19.000 -0.106 0.000 1.282 348 A HN 0.009 nan 8.150 nan 0.000 0.400 349 F N 2.686 122.520 119.950 -0.193 0.000 2.771 349 F HA 0.554 5.084 4.527 0.005 0.000 0.365 349 F C -1.291 174.376 175.800 -0.223 0.000 1.169 349 F CA -0.416 57.472 58.000 -0.187 0.000 1.093 349 F CB 1.527 40.476 39.000 -0.084 0.000 1.363 349 F HN 0.369 nan 8.300 nan 0.000 0.496 350 V N 6.873 126.437 119.914 -0.584 0.000 2.384 350 V HA 0.443 4.567 4.120 0.006 0.000 0.287 350 V C -0.220 175.659 176.094 -0.359 0.000 1.020 350 V CA -0.676 61.368 62.300 -0.428 0.000 0.850 350 V CB 1.576 33.021 31.823 -0.629 0.000 0.987 350 V HN 0.556 nan 8.190 nan 0.000 0.436 351 L N 4.996 126.142 121.223 -0.128 0.000 2.313 351 L HA 0.570 4.913 4.340 0.006 0.000 0.283 351 L C -0.893 176.090 176.870 0.188 0.000 1.013 351 L CA -0.452 54.370 54.840 -0.030 0.000 0.816 351 L CB 1.558 43.623 42.059 0.010 0.000 1.236 351 L HN 0.421 nan 8.230 nan 0.000 0.419 352 F N 1.943 121.891 119.950 -0.004 0.000 2.375 352 F HA 0.308 4.838 4.527 0.005 0.000 0.362 352 F C 0.854 176.635 175.800 -0.032 0.000 1.129 352 F CA -0.325 57.684 58.000 0.015 0.000 1.154 352 F CB 1.062 40.199 39.000 0.229 0.000 1.205 352 F HN 0.445 nan 8.300 nan 0.000 0.513 353 S N 2.345 118.072 115.700 0.045 0.000 2.590 353 S HA 0.735 5.209 4.470 0.006 0.000 0.282 353 S C -0.195 174.368 174.600 -0.062 0.000 1.136 353 S CA -0.247 57.918 58.200 -0.059 0.000 1.030 353 S CB 1.395 64.538 63.200 -0.096 0.000 1.195 353 S HN 0.578 nan 8.310 nan 0.000 0.506 354 S N -1.953 113.656 115.700 -0.151 0.000 2.550 354 S HA 0.542 5.016 4.470 0.006 0.000 0.270 354 S C 0.784 175.182 174.600 -0.336 0.000 1.145 354 S CA -0.014 58.113 58.200 -0.121 0.000 0.852 354 S CB 0.824 63.959 63.200 -0.108 0.000 1.119 354 S HN 0.959 nan 8.310 nan 0.000 0.465 355 G N 1.734 110.226 108.800 -0.513 0.000 2.462 355 G HA2 -0.024 3.939 3.960 0.006 0.000 0.220 355 G HA3 -0.024 3.939 3.960 0.006 0.000 0.220 355 G C 1.528 175.697 174.900 -1.217 0.000 1.121 355 G CA 1.083 45.288 45.100 -1.492 0.000 0.758 355 G HN 1.126 nan 8.290 nan 0.000 0.559 356 A N 1.084 123.623 122.820 -0.468 0.000 1.948 356 A HA 0.159 4.482 4.320 0.006 0.000 0.220 356 A C 2.749 180.191 177.584 -0.237 0.000 1.177 356 A CA 2.382 54.292 52.037 -0.212 0.000 0.636 356 A CB -0.618 18.424 19.000 0.070 0.000 0.815 356 A HN 0.794 nan 8.150 nan 0.000 0.449 357 A N -1.306 121.350 122.820 -0.274 0.000 2.021 357 A HA 0.242 4.566 4.320 0.006 0.000 0.216 357 A C 2.120 179.610 177.584 -0.157 0.000 1.163 357 A CA 1.386 53.322 52.037 -0.168 0.000 0.676 357 A CB -0.362 18.545 19.000 -0.155 0.000 0.818 357 A HN 0.332 nan 8.150 nan 0.000 0.453 358 V N -1.750 117.978 119.914 -0.310 0.000 2.426 358 V HA -0.123 4.000 4.120 0.006 0.000 0.242 358 V C 2.136 178.245 176.094 0.025 0.000 1.036 358 V CA 1.769 63.980 62.300 -0.149 0.000 1.044 358 V CB -0.637 31.078 31.823 -0.180 0.000 0.688 358 V HN 0.991 nan 8.190 nan 0.000 0.462 359 W N 0.046 121.401 121.300 0.092 0.000 2.871 359 W HA 0.662 5.324 4.660 0.004 0.000 0.267 359 W C 0.710 177.424 176.519 0.325 0.000 1.180 359 W CA 0.150 57.591 57.345 0.160 0.000 1.463 359 W CB -0.220 29.247 29.460 0.013 0.000 0.966 359 W HN 0.278 nan 8.180 nan 0.000 0.605 360 G N 1.084 109.991 108.800 0.178 0.000 2.906 360 G HA2 0.235 4.199 3.960 0.006 0.000 0.686 360 G HA3 0.235 4.199 3.960 0.006 0.000 0.686 360 G C -1.083 174.028 174.900 0.351 0.000 1.170 360 G CA -0.413 44.832 45.100 0.242 0.000 0.775 360 G HN 0.520 nan 8.290 nan 0.000 0.630 361 S N 0.762 116.571 115.700 0.182 0.000 2.647 361 S HA 0.749 5.222 4.470 0.006 0.000 0.300 361 S C 0.787 175.434 174.600 0.078 0.000 1.129 361 S CA 0.561 58.874 58.200 0.189 0.000 1.029 361 S CB 0.986 64.294 63.200 0.180 0.000 1.007 361 S HN 2.145 nan 8.310 nan 0.000 0.484 362 G N 2.033 110.855 108.800 0.036 0.000 2.305 362 G HA2 0.420 4.383 3.960 0.006 0.000 0.243 362 G HA3 0.420 4.383 3.960 0.006 0.000 0.243 362 G C 1.210 176.100 174.900 -0.016 0.000 1.288 362 G CA 0.375 45.455 45.100 -0.033 0.000 0.901 362 G HN 1.905 nan 8.290 nan 0.000 0.516 363 G N 1.223 110.002 108.800 -0.034 0.000 2.176 363 G HA2 -0.247 3.716 3.960 0.006 0.000 0.253 363 G HA3 -0.247 3.716 3.960 0.006 0.000 0.253 363 G C 0.605 175.502 174.900 -0.004 0.000 0.979 363 G CA 0.540 45.627 45.100 -0.022 0.000 0.641 363 G HN 0.822 nan 8.290 nan 0.000 0.530 364 Q N -0.104 119.707 119.800 0.017 0.000 2.217 364 Q HA 0.180 4.523 4.340 0.006 0.000 0.340 364 Q C -1.606 174.434 176.000 0.067 0.000 0.893 364 Q CA -1.100 54.739 55.803 0.059 0.000 1.142 364 Q CB 1.591 30.398 28.738 0.115 0.000 1.288 364 Q HN 0.423 nan 8.270 nan 0.000 0.426 365 P HA -0.151 nan 4.420 nan 0.000 0.217 365 P C 1.279 178.597 177.300 0.030 0.000 1.150 365 P CA 1.431 64.534 63.100 0.006 0.000 0.832 365 P CB 0.209 31.897 31.700 -0.019 0.000 0.787 366 G N -1.214 107.612 108.800 0.043 0.000 2.394 366 G HA2 -0.268 3.695 3.960 0.006 0.000 0.215 366 G HA3 -0.268 3.695 3.960 0.006 0.000 0.215 366 G C 1.619 176.576 174.900 0.095 0.000 1.165 366 G CA 0.276 45.402 45.100 0.044 0.000 0.784 366 G HN 0.174 nan 8.290 nan 0.000 0.535 367 Y N 2.048 122.331 120.300 -0.029 0.000 2.293 367 Y HA 0.096 4.650 4.550 0.006 0.000 0.291 367 Y C 2.836 178.729 175.900 -0.011 0.000 1.137 367 Y CA 0.922 59.008 58.100 -0.023 0.000 1.202 367 Y CB -0.212 38.232 38.460 -0.027 0.000 0.990 367 Y HN 0.243 nan 8.280 nan 0.000 0.537 368 A N 0.269 123.114 122.820 0.042 0.000 1.877 368 A HA -0.101 4.223 4.320 0.006 0.000 0.216 368 A C 2.446 180.009 177.584 -0.036 0.000 1.186 368 A CA 1.863 53.873 52.037 -0.045 0.000 0.620 368 A CB -1.462 17.539 19.000 0.001 0.000 0.822 368 A HN 0.537 nan 8.150 nan 0.000 0.443 369 A N -0.117 122.708 122.820 0.009 0.000 1.877 369 A HA 0.145 4.468 4.320 0.006 0.000 0.216 369 A C 2.519 180.128 177.584 0.040 0.000 1.186 369 A CA 2.204 54.266 52.037 0.041 0.000 0.620 369 A CB -1.064 17.962 19.000 0.045 0.000 0.822 369 A HN 1.075 nan 8.150 nan 0.000 0.443 370 A N 0.068 122.886 122.820 -0.003 0.000 1.902 370 A HA -0.190 4.133 4.320 0.006 0.000 0.217 370 A C 1.975 179.559 177.584 -0.001 0.000 1.181 370 A CA 1.659 53.695 52.037 -0.000 0.000 0.623 370 A CB -0.604 18.381 19.000 -0.025 0.000 0.818 370 A HN 0.591 nan 8.150 nan 0.000 0.443 371 N N 0.138 118.756 118.700 -0.137 0.000 2.270 371 N HA -0.056 4.688 4.740 0.006 0.000 0.181 371 N C 1.901 177.382 175.510 -0.049 0.000 1.016 371 N CA 1.201 54.163 53.050 -0.147 0.000 0.870 371 N CB -0.318 37.958 38.487 -0.351 0.000 0.979 371 N HN 0.470 nan 8.380 nan 0.000 0.431 372 A N 0.532 123.345 122.820 -0.013 0.000 1.972 372 A HA -0.187 4.136 4.320 0.006 0.000 0.219 372 A C 2.037 179.651 177.584 0.049 0.000 1.169 372 A CA 0.877 52.930 52.037 0.028 0.000 0.635 372 A CB -0.843 18.209 19.000 0.086 0.000 0.810 372 A HN 0.426 nan 8.150 nan 0.000 0.446 373 Y N 0.717 121.013 120.300 -0.006 0.000 2.165 373 Y HA -0.203 4.351 4.550 0.007 0.000 0.286 373 Y C 1.900 177.797 175.900 -0.006 0.000 1.155 373 Y CA 1.879 59.977 58.100 -0.004 0.000 1.164 373 Y CB -0.283 38.174 38.460 -0.004 0.000 0.978 373 Y HN 0.237 nan 8.280 nan 0.000 0.513 374 L N -0.135 121.104 121.223 0.027 0.000 1.989 374 L HA -0.264 4.079 4.340 0.006 0.000 0.211 374 L C 2.231 179.037 176.870 -0.106 0.000 1.071 374 L CA 1.715 56.538 54.840 -0.029 0.000 0.749 374 L CB -0.770 41.328 42.059 0.064 0.000 0.890 374 L HN 0.238 nan 8.230 nan 0.000 0.431 375 D N 0.320 120.671 120.400 -0.081 0.000 2.123 375 D HA -0.189 4.455 4.640 0.006 0.000 0.196 375 D C 2.170 178.402 176.300 -0.113 0.000 0.992 375 D CA 1.687 55.642 54.000 -0.075 0.000 0.833 375 D CB 0.036 40.803 40.800 -0.055 0.000 0.954 375 D HN 0.373 nan 8.370 nan 0.000 0.455 376 A N 0.815 123.531 122.820 -0.174 0.000 1.929 376 A HA -0.089 4.234 4.320 0.006 0.000 0.216 376 A C 2.162 179.596 177.584 -0.250 0.000 1.176 376 A CA 0.600 52.515 52.037 -0.204 0.000 0.628 376 A CB -0.559 18.307 19.000 -0.223 0.000 0.816 376 A HN 0.198 nan 8.150 nan 0.000 0.444 377 L N -0.058 120.920 121.223 -0.408 0.000 2.083 377 L HA -0.089 4.254 4.340 0.006 0.000 0.209 377 L C 2.610 179.398 176.870 -0.136 0.000 1.083 377 L CA 2.093 56.726 54.840 -0.345 0.000 0.752 377 L CB -0.727 41.071 42.059 -0.436 0.000 0.899 377 L HN 0.342 nan 8.230 nan 0.000 0.433 378 A N -0.946 121.828 122.820 -0.077 0.000 1.902 378 A HA -0.177 4.146 4.320 0.006 0.000 0.217 378 A C 2.174 179.732 177.584 -0.043 0.000 1.181 378 A CA 1.665 53.694 52.037 -0.013 0.000 0.623 378 A CB -0.549 18.459 19.000 0.012 0.000 0.818 378 A HN 0.525 nan 8.150 nan 0.000 0.443 379 E N -0.821 119.345 120.200 -0.057 0.000 2.072 379 E HA -0.194 4.159 4.350 0.006 0.000 0.191 379 E C 1.916 178.473 176.600 -0.072 0.000 0.985 379 E CA 1.157 57.520 56.400 -0.061 0.000 0.801 379 E CB -0.578 29.081 29.700 -0.068 0.000 0.750 379 E HN 0.853 nan 8.360 nan 0.000 0.452 380 H N 1.312 120.284 119.070 -0.164 0.000 2.319 380 H HA -0.051 4.509 4.556 0.006 0.000 0.299 380 H C 2.118 177.348 175.328 -0.163 0.000 1.092 380 H CA 1.585 57.531 56.048 -0.171 0.000 1.302 380 H CB 0.226 29.859 29.762 -0.216 0.000 1.373 380 H HN 0.025 nan 8.280 nan 0.000 0.497 381 R N -0.176 120.188 120.500 -0.227 0.000 2.091 381 R HA -0.109 4.235 4.340 0.006 0.000 0.238 381 R C 2.576 178.760 176.300 -0.194 0.000 1.136 381 R CA 1.144 57.098 56.100 -0.242 0.000 0.959 381 R CB 0.029 30.210 30.300 -0.198 0.000 0.856 381 R HN 0.249 nan 8.270 nan 0.000 0.437 382 R N 0.372 120.787 120.500 -0.140 0.000 2.105 382 R HA -0.098 4.246 4.340 0.006 0.000 0.239 382 R C 2.316 178.536 176.300 -0.133 0.000 1.135 382 R CA 1.833 57.869 56.100 -0.107 0.000 0.967 382 R CB -1.069 29.188 30.300 -0.071 0.000 0.861 382 R HN 0.340 nan 8.270 nan 0.000 0.442 383 S N 0.358 115.946 115.700 -0.186 0.000 2.474 383 S HA -0.002 4.471 4.470 0.006 0.000 0.235 383 S C 1.818 176.299 174.600 -0.197 0.000 0.997 383 S CA 0.572 58.661 58.200 -0.185 0.000 0.949 383 S CB -0.253 62.823 63.200 -0.205 0.000 0.766 383 S HN 0.276 nan 8.310 nan 0.000 0.517 384 L N 0.914 121.994 121.223 -0.239 0.000 2.591 384 L HA 0.331 4.675 4.340 0.006 0.000 0.228 384 L C 1.760 178.565 176.870 -0.109 0.000 1.133 384 L CA 0.296 55.033 54.840 -0.171 0.000 0.880 384 L CB -0.682 41.269 42.059 -0.181 0.000 1.033 384 L HN 0.580 nan 8.230 nan 0.000 0.450 385 G N 0.716 109.456 108.800 -0.100 0.000 2.143 385 G HA2 -0.267 3.696 3.960 0.006 0.000 0.248 385 G HA3 -0.267 3.696 3.960 0.006 0.000 0.248 385 G C 0.053 174.915 174.900 -0.064 0.000 0.991 385 G CA -0.057 45.001 45.100 -0.069 0.000 0.689 385 G HN 0.251 nan 8.290 nan 0.000 0.522 386 L N 0.204 121.379 121.223 -0.080 0.000 2.334 386 L HA 0.633 4.976 4.340 0.006 0.000 0.275 386 L C 1.109 177.939 176.870 -0.066 0.000 1.036 386 L CA -0.736 54.056 54.840 -0.080 0.000 0.807 386 L CB 1.686 43.679 42.059 -0.109 0.000 1.231 386 L HN 0.142 nan 8.230 nan 0.000 0.438 387 T N 1.510 116.040 114.554 -0.041 0.000 2.916 387 T HA 0.571 4.924 4.350 0.006 0.000 0.303 387 T C -0.343 174.372 174.700 0.024 0.000 1.025 387 T CA -0.142 61.956 62.100 -0.003 0.000 1.142 387 T CB 0.322 69.205 68.868 0.025 0.000 0.947 387 T HN 0.756 nan 8.240 nan 0.000 0.544 388 A N 3.365 126.214 122.820 0.049 0.000 2.594 388 A HA 0.630 4.954 4.320 0.006 0.000 0.296 388 A C -0.851 176.775 177.584 0.071 0.000 1.056 388 A CA -0.754 51.360 52.037 0.128 0.000 0.693 388 A CB 1.564 20.635 19.000 0.119 0.000 1.278 388 A HN 0.717 nan 8.150 nan 0.000 0.408 389 S N 0.542 116.279 115.700 0.061 0.000 2.547 389 S HA 0.783 5.257 4.470 0.006 0.000 0.281 389 S C -0.398 174.207 174.600 0.009 0.000 1.118 389 S CA -0.074 58.136 58.200 0.016 0.000 0.947 389 S CB 1.731 64.928 63.200 -0.004 0.000 1.053 389 S HN 1.679 nan 8.310 nan 0.000 0.482 390 S N 1.425 117.123 115.700 -0.004 0.000 2.473 390 S HA 0.774 5.247 4.470 0.006 0.000 0.307 390 S C -0.853 173.700 174.600 -0.078 0.000 1.094 390 S CA -0.654 57.533 58.200 -0.021 0.000 1.070 390 S CB 1.087 64.273 63.200 -0.023 0.000 1.019 390 S HN 0.412 nan 8.310 nan 0.000 0.480 391 V N 2.504 122.330 119.914 -0.146 0.000 2.376 391 V HA 0.723 4.846 4.120 0.006 0.000 0.287 391 V C 0.301 176.063 176.094 -0.555 0.000 1.015 391 V CA -0.772 61.285 62.300 -0.405 0.000 0.834 391 V CB 0.913 32.340 31.823 -0.660 0.000 1.001 391 V HN 1.146 nan 8.190 nan 0.000 0.428 392 A N 5.291 127.886 122.820 -0.375 0.000 2.316 392 A HA 0.580 4.904 4.320 0.006 0.000 0.311 392 A C -0.557 176.920 177.584 -0.179 0.000 1.339 392 A CA -0.416 51.461 52.037 -0.266 0.000 0.960 392 A CB -0.014 18.874 19.000 -0.187 0.000 1.152 392 A HN 0.830 nan 8.150 nan 0.000 0.547 393 W N 2.173 123.493 121.300 0.034 0.000 2.202 393 W HA 0.462 5.126 4.660 0.008 0.000 0.332 393 W C 1.178 177.775 176.519 0.131 0.000 1.263 393 W CA 0.123 57.548 57.345 0.134 0.000 1.223 393 W CB 1.033 30.636 29.460 0.238 0.000 1.128 393 W HN 0.870 nan 8.180 nan 0.000 0.573 394 G N 0.647 109.732 108.800 0.475 0.000 2.935 394 G HA2 0.210 4.174 3.960 0.006 0.000 0.157 394 G HA3 0.210 4.174 3.960 0.006 0.000 0.157 394 G C -0.592 174.521 174.900 0.355 0.000 1.712 394 G CA -0.277 45.053 45.100 0.384 0.000 1.071 394 G HN 0.331 nan 8.290 nan 0.000 0.539 395 T N 0.572 115.271 114.554 0.242 0.000 2.767 395 T HA 0.325 4.678 4.350 0.006 0.000 0.288 395 T C -1.210 173.599 174.700 0.182 0.000 0.963 395 T CA -0.076 62.150 62.100 0.209 0.000 1.019 395 T CB 1.014 69.958 68.868 0.126 0.000 0.923 395 T HN 0.284 nan 8.240 nan 0.000 0.468 396 W N 2.207 123.470 121.300 -0.060 0.000 2.365 396 W HA 0.578 5.241 4.660 0.005 0.000 0.316 396 W C 0.889 177.353 176.519 -0.091 0.000 1.164 396 W CA -0.319 56.950 57.345 -0.126 0.000 1.204 396 W CB 0.690 30.014 29.460 -0.226 0.000 1.213 396 W HN 0.837 nan 8.180 nan 0.000 0.539 397 G N 1.154 109.972 108.800 0.029 0.000 2.547 397 G HA2 0.378 4.341 3.960 0.006 0.000 0.291 397 G HA3 0.378 4.341 3.960 0.006 0.000 0.291 397 G C 0.132 175.075 174.900 0.072 0.000 1.211 397 G CA 0.091 45.205 45.100 0.023 0.000 0.950 397 G HN 0.710 nan 8.290 nan 0.000 0.504 398 E N -2.924 117.298 120.200 0.036 0.000 5.150 398 E HA -0.299 4.054 4.350 0.006 0.000 0.167 398 E C 0.586 177.212 176.600 0.044 0.000 1.196 398 E CA 1.825 58.244 56.400 0.032 0.000 2.189 398 E CB -1.601 28.110 29.700 0.017 0.000 1.820 398 E HN 0.902 nan 8.360 nan 0.000 0.420 399 V N -3.310 116.654 119.914 0.082 0.000 3.007 399 V HA 0.858 4.981 4.120 0.006 0.000 0.311 399 V C 0.434 176.514 176.094 -0.023 0.000 1.120 399 V CA 0.033 62.346 62.300 0.022 0.000 0.980 399 V CB 1.726 33.551 31.823 0.003 0.000 1.033 399 V HN 0.895 nan 8.190 nan 0.000 0.429 400 G N 2.601 111.354 108.800 -0.079 0.000 2.545 400 G HA2 -0.056 3.908 3.960 0.006 0.000 0.216 400 G HA3 -0.056 3.908 3.960 0.006 0.000 0.216 400 G C -0.266 174.590 174.900 -0.073 0.000 1.314 400 G CA -0.180 44.840 45.100 -0.133 0.000 0.906 400 G HN 1.730 nan 8.290 nan 0.000 0.563 410 R N 1.331 121.843 120.500 0.021 0.000 2.097 410 R HA -0.050 4.293 4.340 0.006 0.000 0.236 410 R C 2.435 178.764 176.300 0.047 0.000 1.135 410 R CA 1.385 57.500 56.100 0.025 0.000 0.934 410 R CB -0.745 29.568 30.300 0.023 0.000 0.846 410 R HN 0.155 nan 8.270 nan 0.000 0.431 411 L N 0.936 122.201 121.223 0.070 0.000 1.989 411 L HA -0.202 4.142 4.340 0.006 0.000 0.211 411 L C 2.609 179.534 176.870 0.092 0.000 1.071 411 L CA 1.224 56.131 54.840 0.112 0.000 0.749 411 L CB -0.531 41.610 42.059 0.136 0.000 0.890 411 L HN 0.042 nan 8.230 nan 0.000 0.431 412 V N -0.359 119.592 119.914 0.062 0.000 2.324 412 V HA -0.323 3.801 4.120 0.006 0.000 0.250 412 V C 2.653 178.764 176.094 0.029 0.000 1.060 412 V CA 1.731 64.054 62.300 0.038 0.000 1.042 412 V CB -0.662 31.176 31.823 0.025 0.000 0.650 412 V HN 0.416 nan 8.190 nan 0.000 0.450 413 R N -0.488 120.028 120.500 0.028 0.000 2.189 413 R HA -0.068 4.276 4.340 0.006 0.000 0.218 413 R C 1.963 178.274 176.300 0.019 0.000 1.074 413 R CA 0.869 56.980 56.100 0.018 0.000 0.991 413 R CB -0.166 30.141 30.300 0.012 0.000 0.883 413 R HN 0.621 nan 8.270 nan 0.000 0.457 414 Q N -0.991 118.831 119.800 0.037 0.000 2.320 414 Q HA 0.113 4.457 4.340 0.006 0.000 0.201 414 Q C 0.522 176.580 176.000 0.097 0.000 0.910 414 Q CA 0.387 56.210 55.803 0.033 0.000 0.946 414 Q CB 0.947 29.709 28.738 0.040 0.000 1.062 414 Q HN 0.490 nan 8.270 nan 0.000 0.503 415 G N 0.143 108.984 108.800 0.068 0.000 2.159 415 G HA2 -0.216 3.747 3.960 0.006 0.000 0.227 415 G HA3 -0.216 3.747 3.960 0.006 0.000 0.227 415 G C 0.049 174.900 174.900 -0.081 0.000 0.986 415 G CA -0.085 45.024 45.100 0.014 0.000 0.651 415 G HN 0.204 nan 8.290 nan 0.000 0.523 416 V N 2.853 122.765 119.914 -0.003 0.000 2.267 416 V HA 0.451 4.574 4.120 0.006 0.000 0.254 416 V C 1.053 177.140 176.094 -0.012 0.000 1.144 416 V CA -0.350 61.920 62.300 -0.050 0.000 0.992 416 V CB 0.517 32.416 31.823 0.125 0.000 1.199 416 V HN 0.355 nan 8.190 nan 0.000 0.493 417 L N 3.046 124.232 121.223 -0.062 0.000 2.439 417 L HA 0.621 4.964 4.340 0.006 0.000 0.261 417 L C 0.988 177.847 176.870 -0.018 0.000 1.153 417 L CA -0.397 54.424 54.840 -0.032 0.000 0.808 417 L CB 0.717 42.747 42.059 -0.049 0.000 1.126 417 L HN 0.578 nan 8.230 nan 0.000 0.460 418 A N 3.336 126.147 122.820 -0.016 0.000 2.450 418 A HA 0.430 4.753 4.320 0.006 0.000 0.255 418 A C -0.023 177.512 177.584 -0.082 0.000 1.096 418 A CA -0.179 51.841 52.037 -0.028 0.000 0.778 418 A CB 0.056 19.046 19.000 -0.017 0.000 1.031 418 A HN 0.701 nan 8.150 nan 0.000 0.494 419 M N 1.908 121.412 119.600 -0.160 0.000 2.342 419 M HA 0.222 4.705 4.480 0.006 0.000 0.332 419 M C 0.194 176.295 176.300 -0.331 0.000 1.166 419 M CA -0.129 55.024 55.300 -0.245 0.000 1.086 419 M CB 0.971 33.340 32.600 -0.385 0.000 1.541 419 M HN 0.637 nan 8.290 nan 0.000 0.462 420 E N 2.496 122.497 120.200 -0.333 0.000 2.290 420 E HA 0.079 4.433 4.350 0.006 0.000 0.277 420 E C -1.857 174.468 176.600 -0.459 0.000 1.035 420 E CA -1.415 54.746 56.400 -0.399 0.000 0.873 420 E CB 0.685 30.018 29.700 -0.612 0.000 1.029 420 E HN 0.363 nan 8.360 nan 0.000 0.419 421 P HA -0.228 nan 4.420 nan 0.000 0.216 421 P C 1.012 178.137 177.300 -0.290 0.000 1.157 421 P CA 1.298 64.121 63.100 -0.463 0.000 0.880 421 P CB 0.340 31.998 31.700 -0.070 0.000 0.791 422 E N -1.611 118.490 120.200 -0.164 0.000 2.110 422 E HA -0.202 4.151 4.350 0.006 0.000 0.193 422 E C 1.982 178.627 176.600 0.074 0.000 0.988 422 E CA 1.340 57.721 56.400 -0.031 0.000 0.804 422 E CB -0.934 28.762 29.700 -0.007 0.000 0.745 422 E HN 0.465 nan 8.360 nan 0.000 0.458 423 H N 0.414 119.401 119.070 -0.139 0.000 2.363 423 H HA 0.105 4.665 4.556 0.006 0.000 0.301 423 H C 1.991 177.270 175.328 -0.082 0.000 1.074 423 H CA 1.197 57.190 56.048 -0.092 0.000 1.354 423 H CB -0.614 29.095 29.762 -0.088 0.000 1.397 423 H HN 0.199 nan 8.280 nan 0.000 0.516 424 A N 0.818 123.575 122.820 -0.104 0.000 1.902 424 A HA -0.093 4.231 4.320 0.006 0.000 0.217 424 A C 2.498 180.177 177.584 0.158 0.000 1.181 424 A CA 1.288 53.269 52.037 -0.093 0.000 0.623 424 A CB -0.832 17.722 19.000 -0.744 0.000 0.818 424 A HN 0.324 nan 8.150 nan 0.000 0.443 425 L N -0.942 120.327 121.223 0.075 0.000 2.156 425 L HA -0.043 4.301 4.340 0.006 0.000 0.208 425 L C 2.754 179.737 176.870 0.189 0.000 1.095 425 L CA 0.787 55.762 54.840 0.226 0.000 0.770 425 L CB -0.651 41.520 42.059 0.187 0.000 0.914 425 L HN 0.502 nan 8.230 nan 0.000 0.439 426 G N -0.251 108.626 108.800 0.128 0.000 2.408 426 G HA2 -0.212 3.752 3.960 0.006 0.000 0.217 426 G HA3 -0.212 3.752 3.960 0.006 0.000 0.217 426 G C 1.780 176.742 174.900 0.104 0.000 1.150 426 G CA 0.743 45.905 45.100 0.103 0.000 0.776 426 G HN 0.437 nan 8.290 nan 0.000 0.542 427 A N 0.448 123.339 122.820 0.118 0.000 1.933 427 A HA 0.075 4.399 4.320 0.006 0.000 0.218 427 A C 2.318 179.978 177.584 0.127 0.000 1.175 427 A CA 1.617 53.719 52.037 0.108 0.000 0.628 427 A CB -0.386 18.683 19.000 0.114 0.000 0.814 427 A HN 0.444 nan 8.150 nan 0.000 0.444 428 L N 0.079 121.426 121.223 0.207 0.000 2.083 428 L HA -0.138 4.205 4.340 0.006 0.000 0.209 428 L C 1.501 178.482 176.870 0.186 0.000 1.083 428 L CA 2.404 57.367 54.840 0.206 0.000 0.752 428 L CB -0.706 41.580 42.059 0.380 0.000 0.899 428 L HN 0.304 nan 8.230 nan 0.000 0.433 429 D N -0.695 119.812 120.400 0.179 0.000 2.144 429 D HA -0.200 4.443 4.640 0.006 0.000 0.199 429 D C 2.180 178.542 176.300 0.103 0.000 0.984 429 D CA 1.203 55.292 54.000 0.147 0.000 0.834 429 D CB -0.064 40.810 40.800 0.124 0.000 0.955 429 D HN 0.535 nan 8.370 nan 0.000 0.465 430 Q N -0.147 119.700 119.800 0.079 0.000 2.061 430 Q HA -0.142 4.201 4.340 0.006 0.000 0.204 430 Q C 2.247 178.271 176.000 0.040 0.000 0.984 430 Q CA 0.996 56.827 55.803 0.047 0.000 0.846 430 Q CB -0.156 28.598 28.738 0.026 0.000 0.902 430 Q HN 0.312 nan 8.270 nan 0.000 0.421 431 M N 0.461 120.088 119.600 0.045 0.000 2.117 431 M HA -0.191 4.293 4.480 0.006 0.000 0.262 431 M C 1.823 178.151 176.300 0.046 0.000 1.065 431 M CA 1.488 56.806 55.300 0.030 0.000 1.114 431 M CB 0.047 32.662 32.600 0.025 0.000 1.361 431 M HN 0.212 nan 8.290 nan 0.000 0.408 432 L N -0.413 120.858 121.223 0.080 0.000 2.156 432 L HA -0.149 4.194 4.340 0.006 0.000 0.208 432 L C 2.389 179.301 176.870 0.071 0.000 1.095 432 L CA 0.729 55.621 54.840 0.088 0.000 0.770 432 L CB -0.710 41.435 42.059 0.144 0.000 0.914 432 L HN 0.265 nan 8.230 nan 0.000 0.439 433 E N 0.251 120.490 120.200 0.066 0.000 2.152 433 E HA -0.129 4.224 4.350 0.006 0.000 0.192 433 E C 1.604 178.225 176.600 0.034 0.000 0.983 433 E CA 0.761 57.192 56.400 0.051 0.000 0.818 433 E CB -0.177 29.551 29.700 0.046 0.000 0.758 433 E HN 0.476 nan 8.360 nan 0.000 0.467 434 N N 1.165 119.880 118.700 0.025 0.000 2.463 434 N HA -0.095 4.648 4.740 0.006 0.000 0.181 434 N C -0.133 175.386 175.510 0.015 0.000 1.078 434 N CA 0.523 53.580 53.050 0.012 0.000 0.902 434 N CB -0.072 38.413 38.487 -0.004 0.000 0.970 434 N HN 0.046 nan 8.380 nan 0.000 0.451 435 D N 0.866 121.280 120.400 0.025 0.000 2.689 435 D HA -0.169 4.474 4.640 0.006 0.000 0.237 435 D C -1.274 175.036 176.300 0.017 0.000 1.148 435 D CA 0.499 54.513 54.000 0.024 0.000 0.656 435 D CB -0.965 39.849 40.800 0.023 0.000 1.050 435 D HN 0.141 nan 8.370 nan 0.000 0.426 436 D N -0.900 119.509 120.400 0.014 0.000 2.341 436 D HA 0.165 4.808 4.640 0.006 0.000 0.245 436 D C 1.432 177.742 176.300 0.018 0.000 1.106 436 D CA 0.099 54.106 54.000 0.012 0.000 0.905 436 D CB 1.052 41.852 40.800 -0.000 0.000 1.202 436 D HN 0.104 nan 8.370 nan 0.000 0.426 437 T N 0.119 114.688 114.554 0.024 0.000 2.937 437 T HA 0.199 4.552 4.350 0.006 0.000 0.260 437 T C 0.560 175.272 174.700 0.020 0.000 1.051 437 T CA 0.614 62.726 62.100 0.020 0.000 1.141 437 T CB 0.273 69.151 68.868 0.017 0.000 0.879 437 T HN 0.525 nan 8.240 nan 0.000 0.459 438 A N 0.139 122.981 122.820 0.037 0.000 2.488 438 A HA 0.857 5.180 4.320 0.006 0.000 0.298 438 A C -1.118 176.501 177.584 0.059 0.000 1.044 438 A CA -0.446 51.612 52.037 0.035 0.000 0.693 438 A CB 1.465 20.494 19.000 0.048 0.000 1.272 438 A HN 0.464 nan 8.150 nan 0.000 0.402 439 A N 0.322 123.157 122.820 0.025 0.000 2.610 439 A HA 0.946 5.270 4.320 0.006 0.000 0.291 439 A C -0.547 177.052 177.584 0.025 0.000 1.086 439 A CA 0.015 52.088 52.037 0.060 0.000 0.677 439 A CB 0.891 19.897 19.000 0.010 0.000 1.278 439 A HN 2.539 nan 8.150 nan 0.000 0.414 440 A N 0.519 123.408 122.820 0.116 0.000 2.330 440 A HA 0.782 5.106 4.320 0.006 0.000 0.327 440 A C -0.771 176.932 177.584 0.199 0.000 1.155 440 A CA -0.370 51.745 52.037 0.130 0.000 0.803 440 A CB 0.405 19.561 19.000 0.260 0.000 1.208 440 A HN 0.771 nan 8.150 nan 0.000 0.477 441 I N 2.141 122.801 120.570 0.151 0.000 2.420 441 I HA 0.453 4.626 4.170 0.006 0.000 0.282 441 I C -0.159 176.155 176.117 0.329 0.000 1.019 441 I CA -0.035 61.405 61.300 0.234 0.000 1.130 441 I CB 1.796 39.892 38.000 0.160 0.000 1.262 441 I HN 0.639 nan 8.210 nan 0.000 0.454 442 T N 6.337 121.076 114.554 0.308 0.000 2.982 442 T HA 0.423 4.777 4.350 0.006 0.000 0.321 442 T C -1.594 173.191 174.700 0.142 0.000 1.229 442 T CA -0.444 61.785 62.100 0.214 0.000 1.044 442 T CB 1.639 70.625 68.868 0.197 0.000 1.184 442 T HN 0.311 nan 8.240 nan 0.000 0.477 443 L N 6.042 127.289 121.223 0.039 0.000 2.261 443 L HA 0.646 4.989 4.340 0.006 0.000 0.289 443 L C -0.641 176.124 176.870 -0.175 0.000 1.059 443 L CA -0.113 54.721 54.840 -0.009 0.000 0.816 443 L CB 0.437 42.495 42.059 -0.002 0.000 1.191 443 L HN 0.627 nan 8.230 nan 0.000 0.431 444 M N 3.516 122.926 119.600 -0.316 0.000 2.436 444 M HA 0.323 4.807 4.480 0.006 0.000 0.331 444 M C -0.699 175.303 176.300 -0.496 0.000 1.135 444 M CA -0.550 54.316 55.300 -0.724 0.000 0.987 444 M CB 1.491 33.113 32.600 -1.629 0.000 1.687 444 M HN 0.469 nan 8.290 nan 0.000 0.445 445 D N 1.313 121.469 120.400 -0.407 0.000 2.473 445 D HA 0.202 4.846 4.640 0.006 0.000 0.226 445 D C 0.197 176.389 176.300 -0.180 0.000 1.089 445 D CA -0.193 53.694 54.000 -0.189 0.000 0.883 445 D CB 0.421 41.177 40.800 -0.074 0.000 1.029 445 D HN 0.511 nan 8.370 nan 0.000 0.517 446 W N 2.109 123.401 121.300 -0.013 0.000 2.467 446 W HA -0.023 4.642 4.660 0.008 0.000 0.275 446 W C 1.969 178.516 176.519 0.048 0.000 1.239 446 W CA -0.141 57.204 57.345 0.000 0.000 1.266 446 W CB 0.379 29.824 29.460 -0.024 0.000 1.112 446 W HN 0.408 nan 8.180 nan 0.000 0.576 447 E N -0.036 120.299 120.200 0.225 0.000 2.150 447 E HA -0.168 4.185 4.350 0.006 0.000 0.193 447 E C 1.927 178.595 176.600 0.113 0.000 0.985 447 E CA 1.288 57.778 56.400 0.149 0.000 0.814 447 E CB -0.425 29.335 29.700 0.100 0.000 0.752 447 E HN 0.464 nan 8.360 nan 0.000 0.466 448 M N -0.997 118.658 119.600 0.092 0.000 2.248 448 M HA 0.003 4.486 4.480 0.006 0.000 0.265 448 M C 2.092 178.439 176.300 0.080 0.000 1.079 448 M CA 0.806 56.144 55.300 0.063 0.000 1.150 448 M CB -0.179 32.441 32.600 0.035 0.000 1.366 448 M HN -0.007 nan 8.290 nan 0.000 0.433 449 F N 1.232 121.142 119.950 -0.066 0.000 2.149 449 F HA 0.013 4.544 4.527 0.006 0.000 0.294 449 F C 2.424 178.247 175.800 0.038 0.000 1.095 449 F CA 1.382 59.320 58.000 -0.103 0.000 1.276 449 F CB -0.232 38.531 39.000 -0.396 0.000 1.023 449 F HN 0.032 nan 8.300 nan 0.000 0.480 450 A N 0.804 123.846 122.820 0.370 0.000 1.883 450 A HA -0.128 4.195 4.320 0.006 0.000 0.217 450 A C -0.298 177.367 177.584 0.134 0.000 1.186 450 A CA 1.973 54.186 52.037 0.292 0.000 0.624 450 A CB -2.171 17.015 19.000 0.311 0.000 0.822 450 A HN 0.361 nan 8.150 nan 0.000 0.444 451 P HA -0.066 nan 4.420 nan 0.000 0.217 451 P C 1.713 179.012 177.300 -0.001 0.000 1.150 451 P CA 1.829 64.955 63.100 0.043 0.000 0.832 451 P CB -0.093 31.630 31.700 0.039 0.000 0.787 452 A N -1.095 121.701 122.820 -0.041 0.000 1.873 452 A HA -0.173 4.151 4.320 0.006 0.000 0.215 452 A C 2.095 179.613 177.584 -0.110 0.000 1.186 452 A CA 1.248 53.232 52.037 -0.087 0.000 0.616 452 A CB -1.836 17.093 19.000 -0.118 0.000 0.823 452 A HN 0.153 nan 8.150 nan 0.000 0.442 453 F N 1.702 121.436 119.950 -0.360 0.000 2.293 453 F HA -0.091 4.440 4.527 0.006 0.000 0.300 453 F C 2.116 177.825 175.800 -0.152 0.000 1.086 453 F CA 1.968 59.752 58.000 -0.360 0.000 1.375 453 F CB 0.068 38.704 39.000 -0.606 0.000 1.045 453 F HN 0.284 nan 8.300 nan 0.000 0.516 454 T N -2.731 111.841 114.554 0.030 0.000 3.176 454 T HA 0.452 4.805 4.350 0.006 0.000 0.263 454 T C 1.709 176.392 174.700 -0.028 0.000 1.021 454 T CA 0.214 62.322 62.100 0.013 0.000 0.905 454 T CB -0.065 68.863 68.868 0.101 0.000 1.057 454 T HN 0.156 nan 8.240 nan 0.000 0.558 455 A N 2.783 125.568 122.820 -0.059 0.000 1.978 455 A HA -0.086 4.237 4.320 0.006 0.000 0.220 455 A C 2.262 179.817 177.584 -0.048 0.000 1.170 455 A CA 1.372 53.381 52.037 -0.046 0.000 0.636 455 A CB -0.399 18.565 19.000 -0.060 0.000 0.810 455 A HN 0.543 nan 8.150 nan 0.000 0.448 456 N N -1.010 117.647 118.700 -0.072 0.000 2.348 456 N HA 0.081 4.824 4.740 0.006 0.000 0.183 456 N C 0.414 175.896 175.510 -0.046 0.000 1.094 456 N CA 0.626 53.640 53.050 -0.061 0.000 0.885 456 N CB 0.365 38.803 38.487 -0.082 0.000 1.065 456 N HN 0.787 nan 8.380 nan 0.000 0.472 457 R N 0.194 120.663 120.500 -0.052 0.000 2.629 457 R HA 0.483 4.826 4.340 0.006 0.000 0.266 457 R C -3.250 173.048 176.300 -0.002 0.000 1.051 457 R CA -1.266 54.821 56.100 -0.022 0.000 0.895 457 R CB 1.397 31.690 30.300 -0.012 0.000 1.246 457 R HN -0.241 nan 8.270 nan 0.000 0.459 458 P HA 0.074 nan 4.420 nan 0.000 0.274 458 P C -0.766 176.589 177.300 0.092 0.000 1.246 458 P CA -0.462 62.673 63.100 0.059 0.000 0.795 458 P CB 1.103 32.836 31.700 0.055 0.000 1.006 459 S N -0.202 115.583 115.700 0.142 0.000 2.718 459 S HA 0.480 4.954 4.470 0.006 0.000 0.294 459 S C 1.036 175.721 174.600 0.142 0.000 1.157 459 S CA -0.307 58.016 58.200 0.204 0.000 1.121 459 S CB -0.122 63.320 63.200 0.403 0.000 1.015 459 S HN 0.448 nan 8.310 nan 0.000 0.479 460 A N 4.580 127.468 122.820 0.113 0.000 2.019 460 A HA -0.016 4.307 4.320 0.006 0.000 0.219 460 A C 1.900 179.514 177.584 0.050 0.000 1.164 460 A CA 1.316 53.397 52.037 0.073 0.000 0.644 460 A CB -0.588 18.457 19.000 0.076 0.000 0.805 460 A HN 0.852 nan 8.150 nan 0.000 0.449 461 L N -0.346 120.924 121.223 0.079 0.000 2.043 461 L HA -0.133 4.210 4.340 0.006 0.000 0.212 461 L C 1.957 178.815 176.870 -0.019 0.000 1.075 461 L CA 1.856 56.717 54.840 0.036 0.000 0.752 461 L CB -0.281 41.847 42.059 0.116 0.000 0.891 461 L HN 0.425 nan 8.230 nan 0.000 0.432 462 L N -0.845 120.378 121.223 -0.001 0.000 2.591 462 L HA 0.050 4.394 4.340 0.006 0.000 0.228 462 L C 2.294 179.088 176.870 -0.125 0.000 1.133 462 L CA 0.650 55.425 54.840 -0.107 0.000 0.880 462 L CB -0.652 41.368 42.059 -0.065 0.000 1.033 462 L HN 0.398 nan 8.230 nan 0.000 0.450 463 S N -1.111 114.551 115.700 -0.063 0.000 2.469 463 S HA -0.136 4.337 4.470 0.006 0.000 0.238 463 S C 1.719 176.271 174.600 -0.080 0.000 0.998 463 S CA 1.302 59.469 58.200 -0.056 0.000 0.957 463 S CB -0.677 62.512 63.200 -0.017 0.000 0.764 463 S HN 0.540 nan 8.310 nan 0.000 0.514 464 T N -0.775 113.718 114.554 -0.102 0.000 3.086 464 T HA 0.382 4.735 4.350 0.006 0.000 0.250 464 T C 0.208 174.830 174.700 -0.131 0.000 1.074 464 T CA -0.337 61.708 62.100 -0.091 0.000 0.988 464 T CB -0.051 68.774 68.868 -0.073 0.000 0.988 464 T HN 0.179 nan 8.240 nan 0.000 0.530 465 V N 3.467 123.231 119.914 -0.250 0.000 2.318 465 V HA 0.280 4.403 4.120 0.006 0.000 0.271 465 V C -1.623 174.285 176.094 -0.309 0.000 1.030 465 V CA -1.781 60.286 62.300 -0.388 0.000 0.844 465 V CB 1.535 32.821 31.823 -0.896 0.000 1.015 465 V HN 0.081 nan 8.190 nan 0.000 0.460 466 P HA -0.088 nan 4.420 nan 0.000 0.218 466 P C 1.198 178.424 177.300 -0.124 0.000 1.149 466 P CA 0.902 63.941 63.100 -0.101 0.000 0.817 466 P CB 0.427 32.101 31.700 -0.044 0.000 0.785 467 E N -0.441 119.654 120.200 -0.175 0.000 2.204 467 E HA -0.098 4.256 4.350 0.006 0.000 0.194 467 E C 2.042 178.568 176.600 -0.123 0.000 0.989 467 E CA 1.308 57.639 56.400 -0.114 0.000 0.824 467 E CB -0.840 28.840 29.700 -0.034 0.000 0.756 467 E HN 0.182 nan 8.360 nan 0.000 0.477 468 A N 0.795 123.398 122.820 -0.361 0.000 1.898 468 A HA -0.099 4.225 4.320 0.006 0.000 0.214 468 A C 2.485 180.024 177.584 -0.075 0.000 1.183 468 A CA 1.272 53.200 52.037 -0.181 0.000 0.622 468 A CB -0.882 17.889 19.000 -0.381 0.000 0.824 468 A HN 0.224 nan 8.150 nan 0.000 0.444 469 V N -2.041 117.811 119.914 -0.104 0.000 2.332 469 V HA -0.214 3.909 4.120 0.006 0.000 0.248 469 V C 2.365 178.450 176.094 -0.016 0.000 1.055 469 V CA 2.763 65.036 62.300 -0.046 0.000 1.038 469 V CB -1.374 30.417 31.823 -0.053 0.000 0.651 469 V HN 0.457 nan 8.190 nan 0.000 0.450 470 S N 0.830 116.519 115.700 -0.018 0.000 2.368 470 S HA -0.065 4.408 4.470 0.006 0.000 0.224 470 S C 2.159 176.774 174.600 0.027 0.000 1.029 470 S CA 1.656 59.859 58.200 0.005 0.000 0.988 470 S CB -0.673 62.531 63.200 0.006 0.000 0.838 470 S HN 1.019 nan 8.310 nan 0.000 0.462 471 A N 1.158 124.006 122.820 0.046 0.000 1.972 471 A HA 0.190 4.513 4.320 0.006 0.000 0.219 471 A C 1.184 178.802 177.584 0.057 0.000 1.169 471 A CA 0.777 52.856 52.037 0.070 0.000 0.635 471 A CB -0.469 18.604 19.000 0.122 0.000 0.810 471 A HN 0.551 nan 8.150 nan 0.000 0.446 472 L N 0.000 121.251 121.223 0.047 0.000 2.949 472 L HA 0.000 4.343 4.340 0.006 0.000 0.249 472 L CA 0.000 54.864 54.840 0.041 0.000 0.813 472 L CB 0.000 42.084 42.059 0.042 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502