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 3kq7_1_A DATA FIRST_RESID 5 DATA SEQUENCE RPTFYRQELN KTIWEVPERY QNLSPVGSGA YGSVCAAFDT KTGLRVAVKK DATA SEQUENCE LSRPFQSIIH AKRTYRELRL LKHMKHENVI GLLDVFTPAR SLEEFNDVYL DATA SEQUENCE VTHLMGADLN NIVKCQKLTD DHVQFLIYQI LRGLKYIHSA DIIHRDLKPS DATA SEQUENCE NLAVNEDCEL KILDFGLARH TDDEMTGYVA TRWYRAPEIM LNWMHYNQTV DATA SEQUENCE DIWSVGCIMA ELLTGRTLFP GTDHIDQLKL ILRLVGTPGA ELLKKISSES DATA SEQUENCE ARNYIQSLTQ MPKMNFANVF IGANPLAVDL LEKMLVLDSD KRITAAQALA DATA SEQUENCE HAYFAQYHDP DDEPVADPYD QSFESRDLLI DEWKSLTYDE VISFVPPP 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.355 176.300 0.092 0.000 0.893 5 R CA 0.000 56.168 56.100 0.113 0.000 0.921 5 R CB 0.000 30.389 30.300 0.147 0.000 0.687 6 P HA 0.166 nan 4.420 nan 0.000 0.271 6 P C -0.666 176.643 177.300 0.016 0.000 1.233 6 P CA -0.198 62.857 63.100 -0.075 0.000 0.789 6 P CB 0.589 32.104 31.700 -0.307 0.000 0.951 7 T N 1.212 115.752 114.554 -0.024 0.000 2.869 7 T HA 0.350 4.708 4.350 0.015 0.000 0.295 7 T C -0.050 174.659 174.700 0.015 0.000 0.987 7 T CA 0.223 62.374 62.100 0.085 0.000 1.109 7 T CB -0.125 68.774 68.868 0.051 0.000 0.932 7 T HN 0.157 nan 8.240 nan 0.000 0.518 8 F N 2.377 122.351 119.950 0.040 0.000 2.458 8 F HA 0.563 5.098 4.527 0.014 0.000 0.330 8 F C 0.036 175.923 175.800 0.146 0.000 1.082 8 F CA -1.186 56.841 58.000 0.045 0.000 0.995 8 F CB 1.294 40.286 39.000 -0.013 0.000 1.170 8 F HN 0.603 nan 8.300 nan 0.000 0.478 9 Y N -0.295 120.099 120.300 0.157 0.000 2.562 9 Y HA 0.828 5.387 4.550 0.014 0.000 0.343 9 Y C -0.964 175.030 175.900 0.157 0.000 1.025 9 Y CA -1.616 56.559 58.100 0.126 0.000 1.082 9 Y CB 1.224 39.724 38.460 0.067 0.000 1.264 9 Y HN 0.468 nan 8.280 nan 0.000 0.478 10 R N 1.987 122.576 120.500 0.149 0.000 2.604 10 R HA 0.490 4.838 4.340 0.015 0.000 0.287 10 R C -1.293 175.076 176.300 0.115 0.000 0.970 10 R CA -0.969 55.184 56.100 0.088 0.000 0.946 10 R CB 1.898 32.269 30.300 0.119 0.000 1.127 10 R HN 0.903 nan 8.270 nan 0.000 0.473 11 Q N 0.702 120.567 119.800 0.109 0.000 2.479 11 Q HA 0.209 4.558 4.340 0.015 0.000 0.276 11 Q C -1.699 174.389 176.000 0.146 0.000 0.989 11 Q CA -0.874 55.002 55.803 0.122 0.000 0.864 11 Q CB 1.947 30.753 28.738 0.113 0.000 1.444 11 Q HN 0.598 nan 8.270 nan 0.000 0.388 12 E N 3.002 123.270 120.200 0.112 0.000 2.200 12 E HA 0.439 4.798 4.350 0.015 0.000 0.283 12 E C -1.344 175.290 176.600 0.057 0.000 1.015 12 E CA -0.481 55.990 56.400 0.119 0.000 0.819 12 E CB 0.874 30.628 29.700 0.088 0.000 1.081 12 E HN 0.581 nan 8.360 nan 0.000 0.397 13 L N 6.322 127.579 121.223 0.057 0.000 2.388 13 L HA 0.305 4.654 4.340 0.015 0.000 0.267 13 L C 0.273 177.144 176.870 0.001 0.000 0.995 13 L CA -0.628 54.159 54.840 -0.089 0.000 0.864 13 L CB 0.979 42.776 42.059 -0.437 0.000 1.216 13 L HN 0.767 nan 8.230 nan 0.000 0.430 14 N N 2.251 120.952 118.700 0.003 0.000 2.869 14 N HA -0.319 4.430 4.740 0.015 0.000 0.185 14 N C 0.857 176.401 175.510 0.056 0.000 0.446 14 N CA 2.269 55.334 53.050 0.026 0.000 1.773 14 N CB -0.484 38.017 38.487 0.025 0.000 1.411 14 N HN 0.507 nan 8.380 nan 0.000 0.389 15 K N 0.098 120.549 120.400 0.085 0.000 2.354 15 K HA 0.269 4.598 4.320 0.015 0.000 0.194 15 K C 0.406 177.063 176.600 0.095 0.000 1.038 15 K CA 0.445 56.777 56.287 0.074 0.000 1.052 15 K CB 0.852 33.382 32.500 0.050 0.000 0.861 15 K HN 0.348 nan 8.250 nan 0.000 0.535 16 T N -0.107 114.551 114.554 0.172 0.000 2.887 16 T HA 0.410 4.768 4.350 0.015 0.000 0.292 16 T C -1.298 173.576 174.700 0.290 0.000 1.087 16 T CA -0.801 61.401 62.100 0.170 0.000 1.009 16 T CB 0.939 69.854 68.868 0.078 0.000 1.203 16 T HN -0.173 nan 8.240 nan 0.000 0.518 17 I N 2.846 123.534 120.570 0.197 0.000 2.396 17 I HA 0.241 4.419 4.170 0.015 0.000 0.289 17 I C -0.569 175.730 176.117 0.302 0.000 1.056 17 I CA -0.501 60.939 61.300 0.234 0.000 1.365 17 I CB 0.322 38.401 38.000 0.132 0.000 1.407 17 I HN 0.639 nan 8.210 nan 0.000 0.509 18 W N 5.337 126.695 121.300 0.097 0.000 2.361 18 W HA 0.415 5.084 4.660 0.014 0.000 0.309 18 W C 0.516 177.070 176.519 0.058 0.000 1.122 18 W CA -0.571 56.877 57.345 0.172 0.000 1.208 18 W CB 0.708 30.245 29.460 0.128 0.000 1.246 18 W HN 0.433 nan 8.180 nan 0.000 0.490 19 E N 3.292 123.631 120.200 0.232 0.000 2.186 19 E HA 0.500 4.859 4.350 0.015 0.000 0.255 19 E C -1.249 175.388 176.600 0.062 0.000 0.881 19 E CA -0.532 55.933 56.400 0.109 0.000 0.752 19 E CB 0.958 30.734 29.700 0.128 0.000 1.176 19 E HN 0.334 nan 8.360 nan 0.000 0.421 20 V N 1.222 121.086 119.914 -0.083 0.000 3.078 20 V HA 0.732 4.861 4.120 0.015 0.000 0.311 20 V C -2.816 172.925 176.094 -0.589 0.000 1.138 20 V CA -2.828 59.247 62.300 -0.375 0.000 1.007 20 V CB 1.739 33.419 31.823 -0.238 0.000 1.045 20 V HN 0.502 nan 8.190 nan 0.000 0.432 21 P HA 0.236 nan 4.420 nan 0.000 0.269 21 P C 0.580 177.724 177.300 -0.261 0.000 1.215 21 P CA 0.137 62.683 63.100 -0.924 0.000 0.780 21 P CB 0.491 31.624 31.700 -0.946 0.000 0.898 22 E N 2.185 122.304 120.200 -0.135 0.000 2.171 22 E HA -0.285 4.073 4.350 0.015 0.000 0.197 22 E C 1.855 178.378 176.600 -0.129 0.000 0.997 22 E CA 1.000 57.382 56.400 -0.030 0.000 0.810 22 E CB -0.224 29.404 29.700 -0.120 0.000 0.738 22 E HN 0.485 nan 8.360 nan 0.000 0.467 23 R N 0.566 120.875 120.500 -0.319 0.000 2.139 23 R HA -0.170 4.179 4.340 0.015 0.000 0.243 23 R C 0.174 176.218 176.300 -0.425 0.000 1.145 23 R CA 1.103 56.937 56.100 -0.443 0.000 0.976 23 R CB -0.636 29.264 30.300 -0.667 0.000 0.866 23 R HN 0.108 nan 8.270 nan 0.000 0.449 24 Y N 2.214 122.490 120.300 -0.040 0.000 2.425 24 Y HA 0.297 4.855 4.550 0.014 0.000 0.347 24 Y C 0.303 176.301 175.900 0.164 0.000 0.976 24 Y CA -0.613 57.504 58.100 0.029 0.000 1.190 24 Y CB 0.857 39.321 38.460 0.006 0.000 1.136 24 Y HN 0.028 nan 8.280 nan 0.000 0.517 25 Q N 1.770 121.740 119.800 0.283 0.000 2.359 25 Q HA 0.350 4.699 4.340 0.015 0.000 0.275 25 Q C -0.181 175.962 176.000 0.237 0.000 1.082 25 Q CA -0.914 55.041 55.803 0.253 0.000 0.849 25 Q CB 1.651 30.495 28.738 0.178 0.000 1.377 25 Q HN 0.691 nan 8.270 nan 0.000 0.452 26 N N 0.175 118.979 118.700 0.172 0.000 2.727 26 N HA -0.192 4.556 4.740 0.015 0.000 0.251 26 N C -0.953 174.609 175.510 0.086 0.000 1.040 26 N CA 0.373 53.490 53.050 0.111 0.000 0.712 26 N CB -1.543 36.999 38.487 0.092 0.000 0.912 26 N HN 0.386 nan 8.380 nan 0.000 0.545 27 L N 0.257 121.523 121.223 0.071 0.000 2.455 27 L HA 0.238 4.587 4.340 0.015 0.000 0.272 27 L C 0.913 177.725 176.870 -0.096 0.000 1.174 27 L CA 0.822 55.642 54.840 -0.033 0.000 0.869 27 L CB 1.087 43.079 42.059 -0.112 0.000 1.130 27 L HN 0.281 nan 8.230 nan 0.000 0.474 28 S N 4.760 120.390 115.700 -0.116 0.000 2.614 28 S HA 0.633 5.112 4.470 0.015 0.000 0.288 28 S C -2.730 171.782 174.600 -0.148 0.000 1.137 28 S CA -1.467 56.664 58.200 -0.114 0.000 0.992 28 S CB 1.457 64.627 63.200 -0.050 0.000 1.026 28 S HN 0.239 nan 8.310 nan 0.000 0.486 29 P HA 0.079 nan 4.420 nan 0.000 0.264 29 P C 0.681 177.938 177.300 -0.072 0.000 1.193 29 P CA -0.122 62.889 63.100 -0.147 0.000 0.763 29 P CB 0.634 32.264 31.700 -0.117 0.000 0.810 30 V N 0.577 120.466 119.914 -0.041 0.000 3.485 30 V HA 0.633 4.762 4.120 0.015 0.000 0.280 30 V C 0.465 176.554 176.094 -0.008 0.000 1.495 30 V CA 0.655 62.943 62.300 -0.019 0.000 1.018 30 V CB 0.191 32.010 31.823 -0.007 0.000 0.818 30 V HN 0.636 nan 8.190 nan 0.000 0.436 31 G N -0.678 108.131 108.800 0.015 0.000 2.616 31 G HA2 0.551 4.520 3.960 0.015 0.000 0.294 31 G HA3 0.551 4.520 3.960 0.015 0.000 0.294 31 G C -1.604 173.326 174.900 0.049 0.000 1.489 31 G CA 0.235 45.349 45.100 0.024 0.000 0.836 31 G HN 0.568 nan 8.290 nan 0.000 0.527 32 S N -0.927 114.796 115.700 0.038 0.000 2.541 32 S HA 0.933 5.412 4.470 0.015 0.000 0.271 32 S C -0.056 174.561 174.600 0.028 0.000 1.133 32 S CA 0.395 58.621 58.200 0.043 0.000 0.876 32 S CB 1.659 64.885 63.200 0.043 0.000 1.105 32 S HN 2.150 nan 8.310 nan 0.000 0.470 33 G N 0.795 109.609 108.800 0.024 0.000 2.600 33 G HA2 0.620 4.589 3.960 0.015 0.000 0.293 33 G HA3 0.620 4.589 3.960 0.015 0.000 0.293 33 G C 0.539 175.454 174.900 0.025 0.000 1.408 33 G CA 0.031 45.146 45.100 0.024 0.000 0.782 33 G HN 1.151 nan 8.290 nan 0.000 0.482 34 A N -1.132 121.713 122.820 0.042 0.000 2.076 34 A HA -0.003 4.326 4.320 0.015 0.000 0.220 34 A C 1.848 179.512 177.584 0.133 0.000 1.160 34 A CA 2.343 54.419 52.037 0.064 0.000 0.653 34 A CB -0.509 18.538 19.000 0.078 0.000 0.801 34 A HN 0.993 nan 8.150 nan 0.000 0.455 35 Y N -0.509 119.784 120.300 -0.011 0.000 2.397 35 Y HA 0.391 4.949 4.550 0.014 0.000 0.292 35 Y C 0.954 176.808 175.900 -0.077 0.000 1.115 35 Y CA 0.544 58.634 58.100 -0.017 0.000 1.208 35 Y CB 0.029 38.431 38.460 -0.097 0.000 1.046 35 Y HN 0.352 nan 8.280 nan 0.000 0.552 36 G N -0.727 107.944 108.800 -0.214 0.000 2.451 36 G HA2 0.443 4.412 3.960 0.015 0.000 0.292 36 G HA3 0.443 4.412 3.960 0.015 0.000 0.292 36 G C -1.696 173.137 174.900 -0.112 0.000 1.427 36 G CA -0.388 44.526 45.100 -0.309 0.000 0.792 36 G HN 0.425 nan 8.290 nan 0.000 0.498 37 S N -1.657 114.001 115.700 -0.069 0.000 2.595 37 S HA 0.855 5.334 4.470 0.015 0.000 0.281 37 S C -1.119 173.640 174.600 0.266 0.000 1.117 37 S CA -0.803 57.467 58.200 0.115 0.000 0.873 37 S CB 2.062 65.384 63.200 0.203 0.000 1.108 37 S HN 1.244 nan 8.310 nan 0.000 0.477 38 V N 0.587 120.655 119.914 0.256 0.000 2.656 38 V HA 0.588 4.717 4.120 0.015 0.000 0.307 38 V C -0.536 175.629 176.094 0.118 0.000 1.051 38 V CA -0.624 61.827 62.300 0.252 0.000 0.893 38 V CB 1.355 33.267 31.823 0.149 0.000 0.999 38 V HN 1.175 nan 8.190 nan 0.000 0.426 39 C N 3.136 122.462 119.300 0.043 0.000 2.456 39 C HA 0.863 5.331 4.460 0.015 0.000 0.325 39 C C 0.792 175.769 174.990 -0.023 0.000 1.217 39 C CA -0.698 58.226 59.018 -0.158 0.000 1.687 39 C CB 1.334 28.765 27.740 -0.515 0.000 2.270 39 C HN 1.046 nan 8.230 nan 0.000 0.499 40 A N 2.071 124.881 122.820 -0.016 0.000 2.351 40 A HA 0.837 5.165 4.320 0.015 0.000 0.257 40 A C 0.036 177.652 177.584 0.052 0.000 1.087 40 A CA 0.258 52.318 52.037 0.039 0.000 0.798 40 A CB 0.357 19.382 19.000 0.043 0.000 1.033 40 A HN 1.588 nan 8.150 nan 0.000 0.488 41 A N 0.335 123.223 122.820 0.113 0.000 2.602 41 A HA 0.677 5.006 4.320 0.015 0.000 0.290 41 A C -1.458 176.282 177.584 0.261 0.000 1.114 41 A CA -0.459 51.683 52.037 0.175 0.000 0.683 41 A CB 0.731 19.845 19.000 0.190 0.000 1.281 41 A HN 1.526 nan 8.150 nan 0.000 0.416 42 F N 1.351 121.380 119.950 0.132 0.000 2.426 42 F HA 0.546 5.082 4.527 0.015 0.000 0.348 42 F C -0.389 175.497 175.800 0.143 0.000 1.124 42 F CA -0.841 57.227 58.000 0.114 0.000 1.008 42 F CB 1.329 40.368 39.000 0.064 0.000 1.139 42 F HN 0.530 nan 8.300 nan 0.000 0.452 43 D N 4.059 124.192 120.400 -0.445 0.000 2.393 43 D HA 0.094 4.743 4.640 0.015 0.000 0.232 43 D C 1.243 177.058 176.300 -0.809 0.000 1.192 43 D CA 0.125 53.865 54.000 -0.432 0.000 0.882 43 D CB 1.144 41.847 40.800 -0.162 0.000 1.038 43 D HN 0.679 nan 8.370 nan 0.000 0.499 44 T N 1.097 115.311 114.554 -0.567 0.000 2.962 44 T HA -0.104 4.255 4.350 0.015 0.000 0.270 44 T C 1.580 176.122 174.700 -0.264 0.000 1.088 44 T CA 0.754 62.641 62.100 -0.355 0.000 1.127 44 T CB -0.003 68.818 68.868 -0.079 0.000 0.883 44 T HN 0.284 nan 8.240 nan 0.000 0.493 45 K N 1.042 121.263 120.400 -0.299 0.000 2.155 45 K HA -0.030 4.299 4.320 0.015 0.000 0.203 45 K C 2.330 178.831 176.600 -0.164 0.000 1.052 45 K CA 1.698 57.858 56.287 -0.211 0.000 0.948 45 K CB -0.082 32.286 32.500 -0.220 0.000 0.728 45 K HN 0.665 nan 8.250 nan 0.000 0.448 46 T N -4.468 109.965 114.554 -0.202 0.000 3.040 46 T HA 0.218 4.576 4.350 0.015 0.000 0.266 46 T C 1.200 175.829 174.700 -0.119 0.000 1.005 46 T CA 0.383 62.409 62.100 -0.124 0.000 0.906 46 T CB 0.947 69.762 68.868 -0.090 0.000 1.082 46 T HN 0.259 nan 8.240 nan 0.000 0.531 47 G N 1.600 110.255 108.800 -0.242 0.000 2.168 47 G HA2 -0.220 3.748 3.960 0.015 0.000 0.263 47 G HA3 -0.220 3.748 3.960 0.015 0.000 0.263 47 G C -0.096 174.773 174.900 -0.052 0.000 0.977 47 G CA 0.393 45.425 45.100 -0.113 0.000 0.659 47 G HN 0.646 nan 8.290 nan 0.000 0.533 48 L N 0.685 121.801 121.223 -0.178 0.000 2.325 48 L HA 0.537 4.885 4.340 0.015 0.000 0.279 48 L C 1.035 177.928 176.870 0.039 0.000 1.054 48 L CA -1.163 53.685 54.840 0.012 0.000 0.804 48 L CB 0.917 42.993 42.059 0.030 0.000 1.200 48 L HN 0.015 nan 8.230 nan 0.000 0.436 49 R N 2.533 123.157 120.500 0.207 0.000 2.347 49 R HA 0.367 4.716 4.340 0.015 0.000 0.304 49 R C -0.572 175.829 176.300 0.167 0.000 1.072 49 R CA -0.247 55.991 56.100 0.231 0.000 0.980 49 R CB 0.944 31.375 30.300 0.218 0.000 0.986 49 R HN 0.499 nan 8.270 nan 0.000 0.448 50 V N -1.232 118.768 119.914 0.144 0.000 3.001 50 V HA 0.881 5.009 4.120 0.015 0.000 0.314 50 V C -0.385 175.766 176.094 0.095 0.000 1.099 50 V CA -1.264 61.097 62.300 0.101 0.000 0.989 50 V CB 2.090 33.964 31.823 0.085 0.000 1.040 50 V HN 0.780 nan 8.190 nan 0.000 0.434 51 A N 2.463 125.329 122.820 0.078 0.000 2.317 51 A HA 0.863 5.191 4.320 0.015 0.000 0.327 51 A C -0.602 177.012 177.584 0.049 0.000 1.178 51 A CA -0.669 51.417 52.037 0.082 0.000 0.817 51 A CB 1.459 20.527 19.000 0.114 0.000 1.189 51 A HN 1.423 nan 8.150 nan 0.000 0.489 52 V N 3.182 123.154 119.914 0.097 0.000 2.407 52 V HA 0.371 4.499 4.120 0.015 0.000 0.291 52 V C 0.053 176.301 176.094 0.256 0.000 1.018 52 V CA -0.651 61.735 62.300 0.143 0.000 0.842 52 V CB 1.415 33.395 31.823 0.261 0.000 0.996 52 V HN 0.882 nan 8.190 nan 0.000 0.426 53 K N 4.847 125.285 120.400 0.063 0.000 2.263 53 K HA 0.410 4.739 4.320 0.015 0.000 0.272 53 K C -0.397 176.012 176.600 -0.318 0.000 1.033 53 K CA -0.622 55.643 56.287 -0.037 0.000 0.884 53 K CB 1.006 33.451 32.500 -0.090 0.000 1.107 53 K HN 0.642 nan 8.250 nan 0.000 0.460 54 K N 6.509 126.570 120.400 -0.564 0.000 2.253 54 K HA 0.216 4.545 4.320 0.015 0.000 0.277 54 K C -0.377 175.737 176.600 -0.810 0.000 1.053 54 K CA -0.524 55.077 56.287 -1.143 0.000 0.892 54 K CB 0.600 32.009 32.500 -1.818 0.000 1.102 54 K HN 0.598 nan 8.250 nan 0.000 0.469 55 L N 2.552 123.294 121.223 -0.802 0.000 2.456 55 L HA 0.050 4.399 4.340 0.015 0.000 0.272 55 L C 0.683 177.183 176.870 -0.617 0.000 1.189 55 L CA -0.128 54.275 54.840 -0.730 0.000 0.846 55 L CB 1.218 42.844 42.059 -0.721 0.000 1.111 55 L HN 0.608 nan 8.230 nan 0.000 0.475 56 S N 4.019 119.420 115.700 -0.498 0.000 2.416 56 S HA 0.220 4.699 4.470 0.015 0.000 0.287 56 S C 0.281 174.665 174.600 -0.359 0.000 1.139 56 S CA -0.506 57.478 58.200 -0.359 0.000 1.058 56 S CB -0.194 62.870 63.200 -0.227 0.000 0.967 56 S HN 0.624 nan 8.310 nan 0.000 0.495 57 R N 3.442 123.726 120.500 -0.360 0.000 3.022 57 R HA -0.106 4.243 4.340 0.015 0.000 0.248 57 R C -2.025 174.026 176.300 -0.416 0.000 0.874 57 R CA 0.599 56.497 56.100 -0.337 0.000 0.626 57 R CB -1.198 28.934 30.300 -0.280 0.000 1.255 57 R HN 0.612 nan 8.270 nan 0.000 0.496 58 P HA -0.149 nan 4.420 nan 0.000 0.222 58 P C 0.380 177.228 177.300 -0.753 0.000 1.147 58 P CA 1.304 63.971 63.100 -0.722 0.000 0.790 58 P CB 0.116 31.161 31.700 -1.092 0.000 0.780 59 F N 0.286 120.165 119.950 -0.119 0.000 2.772 59 F HA 0.239 4.775 4.527 0.014 0.000 0.302 59 F C 2.199 177.966 175.800 -0.055 0.000 1.136 59 F CA -0.629 57.335 58.000 -0.060 0.000 1.322 59 F CB -0.657 38.283 39.000 -0.101 0.000 0.967 59 F HN -0.055 nan 8.300 nan 0.000 0.513 60 Q N 0.246 120.033 119.800 -0.022 0.000 2.230 60 Q HA 0.014 4.363 4.340 0.015 0.000 0.202 60 Q C 0.492 176.502 176.000 0.016 0.000 0.963 60 Q CA 1.125 56.890 55.803 -0.062 0.000 0.866 60 Q CB 0.051 28.649 28.738 -0.234 0.000 0.931 60 Q HN 0.347 nan 8.270 nan 0.000 0.452 61 S N -1.840 113.912 115.700 0.088 0.000 2.656 61 S HA 0.387 4.866 4.470 0.015 0.000 0.273 61 S C 0.452 175.144 174.600 0.155 0.000 1.168 61 S CA -0.880 57.392 58.200 0.120 0.000 0.817 61 S CB 0.409 63.690 63.200 0.135 0.000 1.146 61 S HN 0.118 nan 8.310 nan 0.000 0.475 62 I N 0.814 121.470 120.570 0.142 0.000 2.226 62 I HA -0.114 4.064 4.170 0.015 0.000 0.245 62 I C 2.163 178.293 176.117 0.022 0.000 1.100 62 I CA 1.278 62.671 61.300 0.156 0.000 1.374 62 I CB -0.338 37.785 38.000 0.204 0.000 1.057 62 I HN 0.627 nan 8.210 nan 0.000 0.413 63 I N -0.157 120.426 120.570 0.022 0.000 2.163 63 I HA -0.361 3.818 4.170 0.015 0.000 0.243 63 I C 2.449 178.503 176.117 -0.105 0.000 1.085 63 I CA 1.679 62.943 61.300 -0.060 0.000 1.347 63 I CB -0.396 37.578 38.000 -0.044 0.000 1.044 63 I HN 0.245 nan 8.210 nan 0.000 0.408 64 H N -0.090 118.953 119.070 -0.046 0.000 2.357 64 H HA -0.067 4.498 4.556 0.015 0.000 0.301 64 H C 2.244 177.536 175.328 -0.060 0.000 1.082 64 H CA 1.595 57.621 56.048 -0.037 0.000 1.342 64 H CB -0.131 29.611 29.762 -0.032 0.000 1.389 64 H HN 0.336 nan 8.280 nan 0.000 0.511 65 A N 0.665 123.543 122.820 0.098 0.000 1.933 65 A HA -0.195 4.133 4.320 0.015 0.000 0.218 65 A C 2.144 179.701 177.584 -0.044 0.000 1.175 65 A CA 1.746 53.888 52.037 0.175 0.000 0.628 65 A CB -0.383 18.870 19.000 0.422 0.000 0.814 65 A HN 0.367 nan 8.150 nan 0.000 0.444 66 K N -0.507 119.622 120.400 -0.453 0.000 2.103 66 K HA -0.114 4.215 4.320 0.015 0.000 0.204 66 K C 2.294 178.712 176.600 -0.303 0.000 1.052 66 K CA 1.269 57.040 56.287 -0.861 0.000 0.945 66 K CB -0.147 31.683 32.500 -1.118 0.000 0.722 66 K HN 0.446 nan 8.250 nan 0.000 0.443 67 R N -0.033 120.353 120.500 -0.189 0.000 2.092 67 R HA -0.073 4.275 4.340 0.015 0.000 0.231 67 R C 1.760 178.065 176.300 0.008 0.000 1.119 67 R CA 1.827 57.845 56.100 -0.136 0.000 0.970 67 R CB -0.210 29.914 30.300 -0.292 0.000 0.864 67 R HN 0.121 nan 8.270 nan 0.000 0.440 68 T N 0.130 114.731 114.554 0.079 0.000 2.674 68 T HA -0.203 4.155 4.350 0.015 0.000 0.265 68 T C 1.323 176.097 174.700 0.124 0.000 1.039 68 T CA 1.614 63.779 62.100 0.110 0.000 1.150 68 T CB -0.528 68.313 68.868 -0.046 0.000 0.864 68 T HN 0.355 nan 8.240 nan 0.000 0.427 69 Y N 2.254 122.575 120.300 0.034 0.000 2.128 69 Y HA -0.174 4.385 4.550 0.015 0.000 0.284 69 Y C 2.712 178.564 175.900 -0.081 0.000 1.154 69 Y CA 1.687 59.799 58.100 0.020 0.000 1.149 69 Y CB -0.293 38.195 38.460 0.047 0.000 0.976 69 Y HN -0.017 nan 8.280 nan 0.000 0.505 70 R N 0.422 120.885 120.500 -0.062 0.000 2.083 70 R HA -0.246 4.103 4.340 0.015 0.000 0.237 70 R C 2.351 178.645 176.300 -0.010 0.000 1.137 70 R CA 2.115 58.218 56.100 0.005 0.000 0.951 70 R CB -0.471 29.956 30.300 0.212 0.000 0.851 70 R HN 0.587 nan 8.270 nan 0.000 0.434 71 E N 0.069 120.271 120.200 0.004 0.000 2.072 71 E HA -0.194 4.165 4.350 0.015 0.000 0.191 71 E C 2.034 178.621 176.600 -0.022 0.000 0.985 71 E CA 0.923 57.332 56.400 0.016 0.000 0.801 71 E CB -0.065 29.690 29.700 0.092 0.000 0.750 71 E HN 0.262 nan 8.360 nan 0.000 0.452 72 L N 1.396 122.586 121.223 -0.054 0.000 2.017 72 L HA -0.172 4.177 4.340 0.015 0.000 0.208 72 L C 2.248 179.066 176.870 -0.086 0.000 1.073 72 L CA 1.688 56.486 54.840 -0.069 0.000 0.745 72 L CB -0.469 41.565 42.059 -0.041 0.000 0.894 72 L HN 0.039 nan 8.230 nan 0.000 0.432 73 R N -0.549 119.819 120.500 -0.221 0.000 2.083 73 R HA -0.138 4.211 4.340 0.015 0.000 0.237 73 R C 2.186 178.552 176.300 0.110 0.000 1.137 73 R CA 1.348 57.377 56.100 -0.120 0.000 0.951 73 R CB -1.329 28.775 30.300 -0.327 0.000 0.851 73 R HN 0.363 nan 8.270 nan 0.000 0.434 74 L N 1.054 122.320 121.223 0.072 0.000 1.989 74 L HA -0.155 4.194 4.340 0.015 0.000 0.211 74 L C 2.344 179.224 176.870 0.017 0.000 1.071 74 L CA 1.676 56.514 54.840 -0.003 0.000 0.749 74 L CB -0.946 41.111 42.059 -0.002 0.000 0.890 74 L HN 0.182 nan 8.230 nan 0.000 0.431 75 L N -0.685 120.552 121.223 0.023 0.000 2.093 75 L HA -0.223 4.126 4.340 0.015 0.000 0.208 75 L C 2.567 179.495 176.870 0.098 0.000 1.085 75 L CA 0.990 55.851 54.840 0.036 0.000 0.755 75 L CB -0.430 41.628 42.059 -0.002 0.000 0.904 75 L HN 0.235 nan 8.230 nan 0.000 0.435 76 K N -0.876 119.601 120.400 0.128 0.000 2.152 76 K HA -0.248 4.081 4.320 0.015 0.000 0.206 76 K C 2.049 178.768 176.600 0.199 0.000 1.048 76 K CA 1.537 57.951 56.287 0.211 0.000 0.933 76 K CB -0.194 32.437 32.500 0.217 0.000 0.721 76 K HN 0.306 nan 8.250 nan 0.000 0.447 77 H N -0.147 118.978 119.070 0.092 0.000 2.448 77 H HA 0.163 4.728 4.556 0.014 0.000 0.292 77 H C 0.201 175.599 175.328 0.117 0.000 1.035 77 H CA 0.545 56.646 56.048 0.090 0.000 1.349 77 H CB 0.252 30.006 29.762 -0.014 0.000 1.425 77 H HN -0.052 nan 8.280 nan 0.000 0.539 78 M N 1.761 121.457 119.600 0.161 0.000 2.220 78 M HA 0.109 4.598 4.480 0.015 0.000 0.343 78 M C -0.630 175.715 176.300 0.075 0.000 1.470 78 M CA 0.791 56.214 55.300 0.206 0.000 1.161 78 M CB 0.506 33.199 32.600 0.155 0.000 1.737 78 M HN 0.065 nan 8.290 nan 0.000 0.464 79 K N 3.064 123.476 120.400 0.021 0.000 2.752 79 K HA 0.309 4.638 4.320 0.015 0.000 0.199 79 K C -1.204 175.214 176.600 -0.302 0.000 1.069 79 K CA -0.456 55.779 56.287 -0.086 0.000 1.033 79 K CB 0.919 33.405 32.500 -0.023 0.000 1.229 79 K HN 0.581 nan 8.250 nan 0.000 0.572 80 H N 0.900 119.670 119.070 -0.500 0.000 3.046 80 H HA 0.125 4.689 4.556 0.013 0.000 0.363 80 H C -0.079 175.059 175.328 -0.316 0.000 1.203 80 H CA -0.331 55.361 56.048 -0.594 0.000 1.169 80 H CB 1.731 30.772 29.762 -1.202 0.000 1.851 80 H HN 0.424 nan 8.280 nan 0.000 0.546 81 E N 1.887 121.749 120.200 -0.563 0.000 2.204 81 E HA -0.142 4.216 4.350 0.015 0.000 0.195 81 E C 0.256 176.791 176.600 -0.108 0.000 0.990 81 E CA 1.209 57.446 56.400 -0.271 0.000 0.821 81 E CB 0.178 29.708 29.700 -0.282 0.000 0.750 81 E HN 0.491 nan 8.360 nan 0.000 0.477 82 N N -0.186 118.568 118.700 0.089 0.000 2.238 82 N HA 0.084 4.832 4.740 0.015 0.000 0.222 82 N C -1.178 174.332 175.510 -0.001 0.000 1.133 82 N CA -0.194 52.881 53.050 0.042 0.000 0.854 82 N CB 1.278 39.778 38.487 0.022 0.000 1.041 82 N HN -0.163 nan 8.380 nan 0.000 0.510 83 V N 1.031 120.948 119.914 0.004 0.000 2.709 83 V HA 0.308 4.437 4.120 0.015 0.000 0.308 83 V C -0.152 175.925 176.094 -0.028 0.000 1.062 83 V CA -1.148 61.128 62.300 -0.039 0.000 0.901 83 V CB 2.230 34.014 31.823 -0.065 0.000 1.003 83 V HN 0.008 nan 8.190 nan 0.000 0.425 84 I N 3.409 123.961 120.570 -0.029 0.000 2.815 84 I HA 0.474 4.652 4.170 0.015 0.000 0.291 84 I C 0.829 176.956 176.117 0.017 0.000 1.209 84 I CA 1.193 62.488 61.300 -0.008 0.000 1.431 84 I CB 0.610 38.578 38.000 -0.053 0.000 1.351 84 I HN 0.782 nan 8.210 nan 0.000 0.585 85 G N 6.272 115.107 108.800 0.057 0.000 2.788 85 G HA2 0.560 4.529 3.960 0.015 0.000 0.293 85 G HA3 0.560 4.529 3.960 0.015 0.000 0.293 85 G C -1.624 173.312 174.900 0.061 0.000 1.305 85 G CA -0.819 44.319 45.100 0.063 0.000 1.005 85 G HN 0.595 nan 8.290 nan 0.000 0.496 86 L N 0.728 122.007 121.223 0.093 0.000 2.265 86 L HA 0.444 4.792 4.340 0.015 0.000 0.289 86 L C 1.035 177.988 176.870 0.138 0.000 1.033 86 L CA -0.405 54.471 54.840 0.060 0.000 0.814 86 L CB 0.972 43.066 42.059 0.058 0.000 1.203 86 L HN 0.520 nan 8.230 nan 0.000 0.423 87 L N 2.606 123.847 121.223 0.031 0.000 2.156 87 L HA 0.145 4.494 4.340 0.015 0.000 0.208 87 L C 0.060 177.033 176.870 0.173 0.000 1.095 87 L CA 0.725 55.618 54.840 0.089 0.000 0.770 87 L CB -0.098 41.930 42.059 -0.051 0.000 0.914 87 L HN 0.660 nan 8.230 nan 0.000 0.439 88 D N -2.107 118.212 120.400 -0.136 0.000 2.685 88 D HA 0.366 5.015 4.640 0.015 0.000 0.236 88 D C -1.664 174.318 176.300 -0.530 0.000 1.233 88 D CA -0.246 53.583 54.000 -0.285 0.000 0.760 88 D CB 2.442 43.366 40.800 0.207 0.000 1.410 88 D HN -0.282 nan 8.370 nan 0.000 0.439 89 V N 3.213 122.771 119.914 -0.595 0.000 2.686 89 V HA 0.906 5.035 4.120 0.015 0.000 0.306 89 V C -1.552 174.526 176.094 -0.026 0.000 1.065 89 V CA -0.462 61.624 62.300 -0.356 0.000 0.894 89 V CB 1.104 32.675 31.823 -0.419 0.000 1.004 89 V HN 0.530 nan 8.190 nan 0.000 0.424 90 F N 2.652 122.645 119.950 0.072 0.000 2.664 90 F HA 0.929 5.464 4.527 0.014 0.000 0.317 90 F C -0.627 175.366 175.800 0.322 0.000 1.108 90 F CA -0.622 57.490 58.000 0.187 0.000 0.957 90 F CB 1.923 41.042 39.000 0.199 0.000 1.365 90 F HN 0.574 nan 8.300 nan 0.000 0.475 91 T N 0.777 115.700 114.554 0.615 0.000 2.933 91 T HA 0.466 4.825 4.350 0.015 0.000 0.305 91 T C -2.385 172.503 174.700 0.313 0.000 1.092 91 T CA -1.803 60.628 62.100 0.552 0.000 1.008 91 T CB 1.940 71.168 68.868 0.600 0.000 1.102 91 T HN 0.519 nan 8.240 nan 0.000 0.469 92 P HA 0.179 nan 4.420 nan 0.000 0.226 92 P C 0.425 177.536 177.300 -0.316 0.000 1.153 92 P CA 0.140 62.801 63.100 -0.731 0.000 0.777 92 P CB -0.239 31.185 31.700 -0.461 0.000 0.794 93 A N 0.950 123.785 122.820 0.025 0.000 2.540 93 A HA 0.035 4.363 4.320 0.015 0.000 0.239 93 A C 1.124 178.764 177.584 0.092 0.000 1.061 93 A CA 0.088 52.188 52.037 0.105 0.000 0.758 93 A CB -0.096 19.082 19.000 0.296 0.000 0.991 93 A HN 0.111 nan 8.150 nan 0.000 0.502 94 R N 0.773 121.307 120.500 0.057 0.000 2.362 94 R HA 0.182 4.531 4.340 0.015 0.000 0.227 94 R C 0.048 176.407 176.300 0.098 0.000 0.905 94 R CA 0.780 56.922 56.100 0.071 0.000 1.067 94 R CB 0.154 30.474 30.300 0.033 0.000 1.078 94 R HN 0.824 nan 8.270 nan 0.000 0.516 95 S N -1.357 114.379 115.700 0.060 0.000 2.588 95 S HA 0.141 4.620 4.470 0.015 0.000 0.269 95 S C 0.211 174.594 174.600 -0.363 0.000 1.157 95 S CA -0.938 57.243 58.200 -0.032 0.000 0.824 95 S CB 1.154 64.331 63.200 -0.039 0.000 1.126 95 S HN -0.004 nan 8.310 nan 0.000 0.464 96 L N 1.350 122.156 121.223 -0.696 0.000 2.079 96 L HA 0.014 4.363 4.340 0.015 0.000 0.210 96 L C 2.163 178.826 176.870 -0.344 0.000 1.081 96 L CA 2.267 56.567 54.840 -0.900 0.000 0.752 96 L CB -1.157 40.529 42.059 -0.621 0.000 0.896 96 L HN 0.861 nan 8.230 nan 0.000 0.433 97 E N 0.360 120.437 120.200 -0.204 0.000 2.085 97 E HA -0.240 4.119 4.350 0.015 0.000 0.194 97 E C 1.926 178.484 176.600 -0.070 0.000 0.994 97 E CA 1.713 58.047 56.400 -0.110 0.000 0.801 97 E CB -0.341 29.314 29.700 -0.075 0.000 0.743 97 E HN 0.838 nan 8.360 nan 0.000 0.453 98 E N -0.251 119.920 120.200 -0.049 0.000 2.479 98 E HA -0.023 4.336 4.350 0.015 0.000 0.193 98 E C -0.187 176.457 176.600 0.074 0.000 1.049 98 E CA -0.425 55.975 56.400 0.001 0.000 0.870 98 E CB -0.190 29.513 29.700 0.005 0.000 0.944 98 E HN 0.098 nan 8.360 nan 0.000 0.492 99 F N 2.237 122.098 119.950 -0.147 0.000 2.502 99 F HA 0.197 4.733 4.527 0.015 0.000 0.371 99 F C 0.205 176.009 175.800 0.007 0.000 1.083 99 F CA -0.127 57.828 58.000 -0.074 0.000 1.174 99 F CB 0.520 39.384 39.000 -0.226 0.000 1.096 99 F HN -0.115 nan 8.300 nan 0.000 0.545 100 N N 2.126 120.742 118.700 -0.141 0.000 2.008 100 N HA 0.071 4.820 4.740 0.015 0.000 0.228 100 N C -1.416 173.981 175.510 -0.189 0.000 1.375 100 N CA -0.200 52.754 53.050 -0.160 0.000 0.856 100 N CB 0.474 38.925 38.487 -0.061 0.000 1.096 100 N HN 0.439 nan 8.380 nan 0.000 0.489 101 D N 0.249 120.559 120.400 -0.149 0.000 2.527 101 D HA 0.459 5.107 4.640 0.015 0.000 0.233 101 D C -1.028 175.238 176.300 -0.056 0.000 1.063 101 D CA -0.320 53.568 54.000 -0.188 0.000 0.880 101 D CB 3.060 43.794 40.800 -0.111 0.000 1.457 101 D HN -0.299 nan 8.370 nan 0.000 0.475 102 V N 2.056 121.804 119.914 -0.278 0.000 2.686 102 V HA 0.386 4.514 4.120 0.015 0.000 0.306 102 V C -1.365 174.447 176.094 -0.471 0.000 1.065 102 V CA -0.689 61.535 62.300 -0.126 0.000 0.894 102 V CB 1.669 33.424 31.823 -0.114 0.000 1.004 102 V HN 0.445 nan 8.190 nan 0.000 0.424 103 Y N 4.661 124.639 120.300 -0.536 0.000 2.391 103 Y HA 0.733 5.291 4.550 0.014 0.000 0.341 103 Y C -0.210 175.254 175.900 -0.727 0.000 0.965 103 Y CA -0.751 56.875 58.100 -0.789 0.000 1.067 103 Y CB 1.995 39.572 38.460 -1.470 0.000 1.199 103 Y HN 0.412 nan 8.280 nan 0.000 0.450 104 L N 4.050 125.065 121.223 -0.347 0.000 2.346 104 L HA 0.793 5.142 4.340 0.015 0.000 0.274 104 L C -1.035 175.715 176.870 -0.200 0.000 1.007 104 L CA -1.184 53.493 54.840 -0.271 0.000 0.818 104 L CB 1.891 43.829 42.059 -0.201 0.000 1.284 104 L HN 0.308 nan 8.230 nan 0.000 0.424 105 V N 0.896 120.704 119.914 -0.177 0.000 2.487 105 V HA 0.668 4.797 4.120 0.015 0.000 0.298 105 V C 0.068 176.113 176.094 -0.083 0.000 1.028 105 V CA -0.419 61.812 62.300 -0.115 0.000 0.860 105 V CB 1.936 33.700 31.823 -0.100 0.000 0.991 105 V HN 0.940 nan 8.190 nan 0.000 0.427 106 T N 0.204 114.729 114.554 -0.048 0.000 2.864 106 T HA 0.532 4.891 4.350 0.015 0.000 0.289 106 T C -0.219 174.468 174.700 -0.021 0.000 1.082 106 T CA -0.782 61.296 62.100 -0.037 0.000 1.009 106 T CB 1.405 70.278 68.868 0.009 0.000 1.234 106 T HN 0.562 nan 8.240 nan 0.000 0.526 107 H N 0.151 119.246 119.070 0.043 0.000 2.929 107 H HA 0.150 4.714 4.556 0.014 0.000 0.358 107 H C -0.132 175.237 175.328 0.068 0.000 1.111 107 H CA -0.075 56.006 56.048 0.055 0.000 1.409 107 H CB 0.560 30.349 29.762 0.044 0.000 1.373 107 H HN 0.429 nan 8.280 nan 0.000 0.610 108 L N 4.321 125.676 121.223 0.221 0.000 2.278 108 L HA 0.099 4.448 4.340 0.015 0.000 0.287 108 L C -0.112 176.859 176.870 0.168 0.000 1.072 108 L CA -0.166 54.778 54.840 0.173 0.000 0.819 108 L CB 0.200 42.347 42.059 0.147 0.000 1.176 108 L HN 0.426 nan 8.230 nan 0.000 0.435 109 M N 3.529 123.242 119.600 0.189 0.000 2.241 109 M HA 0.299 4.788 4.480 0.015 0.000 0.335 109 M C 0.993 177.365 176.300 0.119 0.000 1.122 109 M CA 0.217 55.621 55.300 0.174 0.000 1.164 109 M CB 0.640 33.424 32.600 0.306 0.000 1.459 109 M HN 0.741 nan 8.290 nan 0.000 0.461 110 G N 0.879 109.728 108.800 0.080 0.000 2.992 110 G HA2 0.515 4.484 3.960 0.015 0.000 0.195 110 G HA3 0.515 4.484 3.960 0.015 0.000 0.195 110 G C -0.228 174.683 174.900 0.018 0.000 2.032 110 G CA 0.105 45.229 45.100 0.041 0.000 0.831 110 G HN 0.827 nan 8.290 nan 0.000 0.647 111 A N 0.612 123.438 122.820 0.011 0.000 2.371 111 A HA 0.535 4.864 4.320 0.015 0.000 0.257 111 A C 0.037 177.624 177.584 0.006 0.000 1.089 111 A CA 0.205 52.238 52.037 -0.006 0.000 0.794 111 A CB 0.276 19.271 19.000 -0.008 0.000 1.029 111 A HN 0.654 nan 8.150 nan 0.000 0.488 112 D N 0.317 120.708 120.400 -0.016 0.000 2.549 112 D HA 0.279 4.927 4.640 0.015 0.000 0.270 112 D C 0.603 176.896 176.300 -0.011 0.000 1.181 112 D CA -0.708 53.295 54.000 0.006 0.000 1.070 112 D CB 0.273 41.066 40.800 -0.013 0.000 1.154 112 D HN 0.186 nan 8.370 nan 0.000 0.602 113 L N 0.096 121.310 121.223 -0.016 0.000 2.395 113 L HA 0.073 4.422 4.340 0.015 0.000 0.218 113 L C 1.340 178.197 176.870 -0.021 0.000 1.130 113 L CA 1.187 56.010 54.840 -0.028 0.000 0.826 113 L CB -1.040 40.990 42.059 -0.049 0.000 0.941 113 L HN 0.329 nan 8.230 nan 0.000 0.451 114 N N 0.101 118.788 118.700 -0.022 0.000 2.142 114 N HA -0.132 4.616 4.740 0.015 0.000 0.186 114 N C 1.347 176.857 175.510 0.001 0.000 1.023 114 N CA 1.215 54.265 53.050 -0.001 0.000 0.852 114 N CB -0.308 38.179 38.487 0.000 0.000 0.998 114 N HN 0.424 nan 8.380 nan 0.000 0.424 115 N N 1.072 119.764 118.700 -0.012 0.000 2.289 115 N HA -0.077 4.672 4.740 0.015 0.000 0.184 115 N C 1.568 177.074 175.510 -0.007 0.000 1.016 115 N CA 0.540 53.583 53.050 -0.011 0.000 0.872 115 N CB -0.074 38.401 38.487 -0.021 0.000 0.973 115 N HN 0.234 nan 8.380 nan 0.000 0.433 116 I N 0.573 121.138 120.570 -0.009 0.000 2.235 116 I HA -0.096 4.083 4.170 0.015 0.000 0.241 116 I C 2.264 178.382 176.117 0.003 0.000 1.085 116 I CA 0.615 61.908 61.300 -0.011 0.000 1.378 116 I CB -1.223 36.764 38.000 -0.021 0.000 1.076 116 I HN -0.133 nan 8.210 nan 0.000 0.415 117 V N 0.981 120.903 119.914 0.013 0.000 2.515 117 V HA -0.200 3.928 4.120 0.015 0.000 0.250 117 V C 2.371 178.484 176.094 0.032 0.000 1.058 117 V CA 1.386 63.703 62.300 0.028 0.000 1.064 117 V CB -0.840 31.006 31.823 0.038 0.000 0.675 117 V HN 0.383 nan 8.190 nan 0.000 0.461 118 K N 0.152 120.570 120.400 0.029 0.000 2.211 118 K HA -0.069 4.260 4.320 0.015 0.000 0.203 118 K C 1.089 177.705 176.600 0.026 0.000 1.050 118 K CA 1.516 57.822 56.287 0.033 0.000 0.945 118 K CB -0.096 32.425 32.500 0.034 0.000 0.732 118 K HN 0.740 nan 8.250 nan 0.000 0.451 119 C N -1.310 118.002 119.300 0.020 0.000 3.208 119 C HA 0.455 4.924 4.460 0.015 0.000 0.250 119 C C -0.575 174.424 174.990 0.015 0.000 2.195 119 C CA -1.162 57.867 59.018 0.018 0.000 1.303 119 C CB -0.837 26.911 27.740 0.014 0.000 2.376 119 C HN 0.111 nan 8.230 nan 0.000 0.545 120 Q N 0.840 120.652 119.800 0.019 0.000 2.495 120 Q HA 0.512 4.861 4.340 0.015 0.000 0.287 120 Q C -0.922 175.105 176.000 0.045 0.000 1.078 120 Q CA -0.649 55.168 55.803 0.022 0.000 0.793 120 Q CB 2.048 30.785 28.738 -0.001 0.000 1.459 120 Q HN 0.316 nan 8.270 nan 0.000 0.422 121 K N 1.739 122.176 120.400 0.061 0.000 2.228 121 K HA 0.194 4.523 4.320 0.015 0.000 0.284 121 K C -1.373 175.325 176.600 0.163 0.000 1.088 121 K CA 0.066 56.408 56.287 0.092 0.000 0.941 121 K CB -0.298 32.254 32.500 0.086 0.000 1.158 121 K HN 0.317 nan 8.250 nan 0.000 0.438 122 L N 5.126 126.443 121.223 0.157 0.000 2.295 122 L HA 0.209 4.557 4.340 0.015 0.000 0.288 122 L C 0.454 177.447 176.870 0.206 0.000 1.079 122 L CA 0.205 55.192 54.840 0.245 0.000 0.830 122 L CB 0.545 42.704 42.059 0.167 0.000 1.200 122 L HN 0.820 nan 8.230 nan 0.000 0.438 123 T N -1.815 112.864 114.554 0.210 0.000 2.813 123 T HA 0.057 4.416 4.350 0.015 0.000 0.297 123 T C 1.003 175.725 174.700 0.036 0.000 1.036 123 T CA -0.390 61.713 62.100 0.004 0.000 1.044 123 T CB 0.786 69.516 68.868 -0.230 0.000 0.993 123 T HN 0.589 nan 8.240 nan 0.000 0.535 124 D N 0.118 120.540 120.400 0.037 0.000 2.123 124 D HA -0.145 4.504 4.640 0.015 0.000 0.196 124 D C 1.611 177.957 176.300 0.077 0.000 0.992 124 D CA 1.372 55.432 54.000 0.100 0.000 0.833 124 D CB -0.238 40.627 40.800 0.108 0.000 0.954 124 D HN 0.600 nan 8.370 nan 0.000 0.455 125 D N -0.867 119.522 120.400 -0.017 0.000 2.123 125 D HA -0.172 4.476 4.640 0.015 0.000 0.196 125 D C 1.894 178.261 176.300 0.112 0.000 0.992 125 D CA 1.069 55.070 54.000 0.002 0.000 0.833 125 D CB -0.413 40.324 40.800 -0.105 0.000 0.954 125 D HN 0.564 nan 8.370 nan 0.000 0.455 126 H N -0.231 118.927 119.070 0.146 0.000 2.353 126 H HA -0.062 4.503 4.556 0.014 0.000 0.300 126 H C 2.343 177.771 175.328 0.166 0.000 1.090 126 H CA 0.748 56.894 56.048 0.163 0.000 1.327 126 H CB 0.150 29.984 29.762 0.121 0.000 1.383 126 H HN -0.049 nan 8.280 nan 0.000 0.508 127 V N 1.045 121.126 119.914 0.278 0.000 2.295 127 V HA -0.292 3.837 4.120 0.015 0.000 0.246 127 V C 2.206 178.472 176.094 0.286 0.000 1.049 127 V CA 1.868 64.319 62.300 0.251 0.000 1.024 127 V CB -0.582 31.392 31.823 0.251 0.000 0.648 127 V HN 0.469 nan 8.190 nan 0.000 0.447 128 Q N -1.092 118.830 119.800 0.205 0.000 2.077 128 Q HA -0.256 4.093 4.340 0.015 0.000 0.206 128 Q C 2.192 178.354 176.000 0.270 0.000 0.989 128 Q CA 2.247 58.127 55.803 0.128 0.000 0.853 128 Q CB -0.325 28.372 28.738 -0.068 0.000 0.907 128 Q HN 0.636 nan 8.270 nan 0.000 0.418 129 F N 0.857 120.745 119.950 -0.104 0.000 2.146 129 F HA -0.105 4.431 4.527 0.013 0.000 0.298 129 F C 1.730 177.455 175.800 -0.127 0.000 1.096 129 F CA 1.086 58.813 58.000 -0.454 0.000 1.275 129 F CB -0.238 38.524 39.000 -0.397 0.000 1.008 129 F HN -0.034 nan 8.300 nan 0.000 0.480 130 L N -0.481 120.712 121.223 -0.051 0.000 2.056 130 L HA -0.217 4.131 4.340 0.015 0.000 0.207 130 L C 2.401 179.200 176.870 -0.118 0.000 1.078 130 L CA 0.623 55.362 54.840 -0.169 0.000 0.749 130 L CB -0.584 41.458 42.059 -0.029 0.000 0.901 130 L HN 0.078 nan 8.230 nan 0.000 0.433 131 I N -1.056 119.546 120.570 0.054 0.000 2.353 131 I HA -0.289 3.890 4.170 0.015 0.000 0.248 131 I C 2.462 178.497 176.117 -0.138 0.000 1.119 131 I CA 1.377 62.723 61.300 0.077 0.000 1.417 131 I CB -1.184 37.020 38.000 0.339 0.000 1.078 131 I HN 0.252 nan 8.210 nan 0.000 0.421 132 Y N 2.383 122.499 120.300 -0.307 0.000 2.081 132 Y HA -0.326 4.232 4.550 0.013 0.000 0.280 132 Y C 2.716 178.367 175.900 -0.415 0.000 1.163 132 Y CA 2.116 59.836 58.100 -0.635 0.000 1.135 132 Y CB -0.413 37.816 38.460 -0.384 0.000 0.970 132 Y HN 0.250 nan 8.280 nan 0.000 0.498 133 Q N -0.160 119.363 119.800 -0.462 0.000 2.119 133 Q HA -0.150 4.198 4.340 0.015 0.000 0.201 133 Q C 2.360 178.130 176.000 -0.383 0.000 0.972 133 Q CA 1.968 57.487 55.803 -0.474 0.000 0.847 133 Q CB -0.196 28.257 28.738 -0.475 0.000 0.903 133 Q HN 0.579 nan 8.270 nan 0.000 0.433 134 I N 0.615 120.995 120.570 -0.316 0.000 2.163 134 I HA -0.314 3.865 4.170 0.015 0.000 0.243 134 I C 2.185 178.130 176.117 -0.287 0.000 1.085 134 I CA 1.217 62.367 61.300 -0.250 0.000 1.347 134 I CB -0.289 37.601 38.000 -0.185 0.000 1.044 134 I HN 0.202 nan 8.210 nan 0.000 0.408 135 L N 0.093 121.113 121.223 -0.339 0.000 2.083 135 L HA -0.212 4.137 4.340 0.015 0.000 0.209 135 L C 2.787 179.442 176.870 -0.358 0.000 1.083 135 L CA 1.233 55.877 54.840 -0.325 0.000 0.752 135 L CB -0.556 41.277 42.059 -0.378 0.000 0.899 135 L HN 0.224 nan 8.230 nan 0.000 0.433 136 R N 0.228 120.434 120.500 -0.491 0.000 2.080 136 R HA -0.165 4.184 4.340 0.015 0.000 0.236 136 R C 2.299 178.421 176.300 -0.295 0.000 1.137 136 R CA 1.713 57.591 56.100 -0.370 0.000 0.943 136 R CB -0.629 29.393 30.300 -0.463 0.000 0.846 136 R HN 0.383 nan 8.270 nan 0.000 0.431 137 G N 0.891 109.502 108.800 -0.314 0.000 2.469 137 G HA2 -0.261 3.708 3.960 0.015 0.000 0.219 137 G HA3 -0.261 3.708 3.960 0.015 0.000 0.219 137 G C 1.453 176.143 174.900 -0.350 0.000 1.150 137 G CA 0.909 45.759 45.100 -0.417 0.000 0.763 137 G HN 0.265 nan 8.290 nan 0.000 0.561 138 L N 0.060 121.080 121.223 -0.338 0.000 2.109 138 L HA 0.017 4.366 4.340 0.015 0.000 0.207 138 L C 2.798 179.405 176.870 -0.437 0.000 1.086 138 L CA 1.205 55.751 54.840 -0.489 0.000 0.760 138 L CB -0.336 41.408 42.059 -0.526 0.000 0.910 138 L HN 0.242 nan 8.230 nan 0.000 0.437 139 K N 0.079 120.337 120.400 -0.237 0.000 2.044 139 K HA -0.288 4.041 4.320 0.015 0.000 0.210 139 K C 2.286 178.846 176.600 -0.066 0.000 1.049 139 K CA 2.016 58.249 56.287 -0.089 0.000 0.927 139 K CB -0.331 32.144 32.500 -0.041 0.000 0.713 139 K HN 0.189 nan 8.250 nan 0.000 0.443 140 Y N 2.049 122.190 120.300 -0.265 0.000 2.089 140 Y HA -0.230 4.328 4.550 0.012 0.000 0.282 140 Y C 2.082 177.896 175.900 -0.145 0.000 1.139 140 Y CA 2.224 60.183 58.100 -0.235 0.000 1.123 140 Y CB -0.326 37.798 38.460 -0.559 0.000 0.980 140 Y HN 0.189 nan 8.280 nan 0.000 0.493 141 I N -2.005 118.527 120.570 -0.064 0.000 2.286 141 I HA -0.264 3.915 4.170 0.015 0.000 0.248 141 I C 1.972 178.083 176.117 -0.010 0.000 1.115 141 I CA 2.022 63.276 61.300 -0.077 0.000 1.392 141 I CB -0.989 37.016 38.000 0.007 0.000 1.065 141 I HN 0.260 nan 8.210 nan 0.000 0.418 142 H N 1.381 120.416 119.070 -0.058 0.000 2.457 142 H HA -0.091 4.473 4.556 0.014 0.000 0.294 142 H C 2.599 177.896 175.328 -0.051 0.000 1.064 142 H CA 1.068 57.098 56.048 -0.031 0.000 1.330 142 H CB 0.072 29.833 29.762 -0.003 0.000 1.395 142 H HN 0.581 nan 8.280 nan 0.000 0.541 143 S N 0.571 116.287 115.700 0.026 0.000 2.442 143 S HA -0.062 4.416 4.470 0.015 0.000 0.236 143 S C 2.003 176.580 174.600 -0.039 0.000 1.007 143 S CA 0.683 58.871 58.200 -0.019 0.000 0.965 143 S CB 0.039 63.204 63.200 -0.059 0.000 0.773 143 S HN 0.405 nan 8.310 nan 0.000 0.504 144 A N 0.809 123.584 122.820 -0.075 0.000 2.345 144 A HA 0.315 4.644 4.320 0.015 0.000 0.225 144 A C 0.394 178.003 177.584 0.043 0.000 1.243 144 A CA 0.195 52.212 52.037 -0.033 0.000 0.875 144 A CB -0.307 18.612 19.000 -0.134 0.000 0.929 144 A HN 0.331 nan 8.150 nan 0.000 0.502 145 D N -0.847 119.577 120.400 0.040 0.000 2.751 145 D HA -0.163 4.486 4.640 0.015 0.000 0.233 145 D C -0.311 176.035 176.300 0.075 0.000 1.149 145 D CA 1.031 55.058 54.000 0.045 0.000 0.682 145 D CB -1.485 39.329 40.800 0.024 0.000 1.068 145 D HN 0.569 nan 8.370 nan 0.000 0.429 146 I N 0.899 121.514 120.570 0.074 0.000 2.315 146 I HA 0.269 4.448 4.170 0.015 0.000 0.291 146 I C 0.858 177.068 176.117 0.156 0.000 1.006 146 I CA -0.514 60.825 61.300 0.066 0.000 1.265 146 I CB 0.986 38.951 38.000 -0.057 0.000 1.387 146 I HN -0.119 nan 8.210 nan 0.000 0.475 147 I N 5.551 126.205 120.570 0.139 0.000 2.377 147 I HA 0.189 4.368 4.170 0.015 0.000 0.293 147 I C 0.921 177.140 176.117 0.171 0.000 0.987 147 I CA -0.447 60.969 61.300 0.193 0.000 1.185 147 I CB 1.668 39.773 38.000 0.175 0.000 1.341 147 I HN 0.645 nan 8.210 nan 0.000 0.455 148 H N 5.953 125.096 119.070 0.123 0.000 2.307 148 H HA 0.023 4.587 4.556 0.014 0.000 0.303 148 H C 1.003 176.345 175.328 0.023 0.000 1.073 148 H CA 1.920 58.000 56.048 0.054 0.000 1.338 148 H CB 0.300 30.084 29.762 0.037 0.000 1.389 148 H HN 0.601 nan 8.280 nan 0.000 0.503 149 R N -1.652 118.992 120.500 0.239 0.000 3.749 149 R HA -0.186 4.163 4.340 0.015 0.000 0.476 149 R C -0.390 175.989 176.300 0.132 0.000 0.814 149 R CA 1.239 57.379 56.100 0.067 0.000 1.494 149 R CB -1.684 28.559 30.300 -0.095 0.000 2.164 149 R HN 0.403 nan 8.270 nan 0.000 0.473 150 D N 0.306 120.943 120.400 0.396 0.000 2.895 150 D HA 0.195 4.844 4.640 0.015 0.000 0.350 150 D C -1.067 175.312 176.300 0.132 0.000 1.389 150 D CA -0.427 53.727 54.000 0.256 0.000 0.812 150 D CB 0.373 41.307 40.800 0.224 0.000 1.164 150 D HN -0.014 nan 8.370 nan 0.000 0.455 151 L N 2.161 123.329 121.223 -0.092 0.000 2.410 151 L HA 0.338 4.687 4.340 0.015 0.000 0.273 151 L C 0.125 176.887 176.870 -0.180 0.000 1.144 151 L CA 0.676 55.300 54.840 -0.360 0.000 0.863 151 L CB 0.106 41.989 42.059 -0.293 0.000 1.140 151 L HN 0.195 nan 8.230 nan 0.000 0.463 152 K N 2.957 123.187 120.400 -0.283 0.000 2.607 152 K HA 0.460 4.789 4.320 0.015 0.000 0.287 152 K C -2.790 173.544 176.600 -0.443 0.000 0.996 152 K CA -1.479 54.480 56.287 -0.546 0.000 0.876 152 K CB 0.837 33.112 32.500 -0.375 0.000 1.496 152 K HN 0.023 nan 8.250 nan 0.000 0.415 153 P HA -0.210 nan 4.420 nan 0.000 0.218 153 P C 1.221 178.451 177.300 -0.118 0.000 1.148 153 P CA 1.785 64.730 63.100 -0.259 0.000 0.822 153 P CB 0.097 31.676 31.700 -0.202 0.000 0.784 154 S N -1.870 113.771 115.700 -0.098 0.000 2.474 154 S HA -0.050 4.429 4.470 0.015 0.000 0.235 154 S C 1.554 176.263 174.600 0.182 0.000 0.997 154 S CA 0.815 59.014 58.200 -0.002 0.000 0.949 154 S CB -0.971 62.214 63.200 -0.024 0.000 0.766 154 S HN 0.054 nan 8.310 nan 0.000 0.517 155 N N 1.134 119.907 118.700 0.123 0.000 2.314 155 N HA 0.352 5.100 4.740 0.015 0.000 0.200 155 N C -0.832 174.711 175.510 0.055 0.000 1.135 155 N CA 0.144 53.294 53.050 0.166 0.000 0.835 155 N CB 0.191 38.719 38.487 0.070 0.000 0.989 155 N HN 0.491 nan 8.380 nan 0.000 0.478 156 L N 0.529 121.785 121.223 0.056 0.000 2.349 156 L HA 0.644 4.993 4.340 0.015 0.000 0.278 156 L C -0.214 176.692 176.870 0.061 0.000 0.996 156 L CA -0.874 53.965 54.840 -0.003 0.000 0.825 156 L CB 1.894 43.907 42.059 -0.077 0.000 1.243 156 L HN -0.155 nan 8.230 nan 0.000 0.412 157 A N 3.623 126.480 122.820 0.062 0.000 2.324 157 A HA 0.892 5.221 4.320 0.015 0.000 0.330 157 A C -0.709 176.882 177.584 0.012 0.000 1.165 157 A CA -0.525 51.566 52.037 0.090 0.000 0.813 157 A CB 1.604 20.694 19.000 0.150 0.000 1.197 157 A HN 0.419 nan 8.150 nan 0.000 0.484 158 V N 3.333 123.252 119.914 0.008 0.000 2.668 158 V HA 0.300 4.428 4.120 0.015 0.000 0.304 158 V C -0.574 175.516 176.094 -0.007 0.000 1.071 158 V CA -0.936 61.350 62.300 -0.022 0.000 0.894 158 V CB 1.803 33.607 31.823 -0.033 0.000 1.008 158 V HN 1.127 nan 8.190 nan 0.000 0.425 159 N N 3.625 122.322 118.700 -0.006 0.000 2.448 159 N HA 0.222 4.971 4.740 0.015 0.000 0.274 159 N C 1.111 176.628 175.510 0.012 0.000 1.239 159 N CA -0.408 52.646 53.050 0.006 0.000 0.982 159 N CB 0.420 38.910 38.487 0.005 0.000 1.199 159 N HN 0.631 nan 8.380 nan 0.000 0.576 160 E N -0.660 119.548 120.200 0.014 0.000 2.204 160 E HA -0.215 4.144 4.350 0.015 0.000 0.195 160 E C -0.308 176.306 176.600 0.024 0.000 0.990 160 E CA 1.303 57.711 56.400 0.012 0.000 0.821 160 E CB -0.623 29.084 29.700 0.012 0.000 0.750 160 E HN 0.625 nan 8.360 nan 0.000 0.477 161 D N 0.408 120.835 120.400 0.045 0.000 2.338 161 D HA 0.041 4.690 4.640 0.015 0.000 0.239 161 D C 0.147 176.544 176.300 0.162 0.000 1.095 161 D CA 0.299 54.349 54.000 0.082 0.000 0.888 161 D CB -0.509 40.340 40.800 0.083 0.000 0.899 161 D HN 0.199 nan 8.370 nan 0.000 0.525 162 C N 0.969 120.336 119.300 0.112 0.000 4.297 162 C HA -0.198 4.271 4.460 0.015 0.000 0.290 162 C C 0.679 175.725 174.990 0.093 0.000 1.444 162 C CA -0.024 59.071 59.018 0.129 0.000 1.982 162 C CB -2.470 25.411 27.740 0.235 0.000 1.276 162 C HN 0.389 nan 8.230 nan 0.000 0.797 163 E N -0.353 119.895 120.200 0.080 0.000 2.354 163 E HA 0.520 4.878 4.350 0.015 0.000 0.269 163 E C -0.035 176.495 176.600 -0.115 0.000 1.036 163 E CA 0.016 56.393 56.400 -0.037 0.000 0.876 163 E CB 0.814 30.532 29.700 0.030 0.000 1.009 163 E HN 0.570 nan 8.360 nan 0.000 0.416 164 L N 2.402 123.512 121.223 -0.188 0.000 2.381 164 L HA 0.516 4.865 4.340 0.015 0.000 0.268 164 L C -1.274 175.519 176.870 -0.127 0.000 0.997 164 L CA -0.612 54.133 54.840 -0.158 0.000 0.818 164 L CB 1.234 43.160 42.059 -0.221 0.000 1.310 164 L HN 0.393 nan 8.230 nan 0.000 0.416 165 K N 4.996 125.341 120.400 -0.090 0.000 2.371 165 K HA 0.541 4.870 4.320 0.015 0.000 0.251 165 K C -1.241 175.309 176.600 -0.084 0.000 0.934 165 K CA -0.741 55.498 56.287 -0.081 0.000 0.798 165 K CB 2.586 35.048 32.500 -0.064 0.000 1.204 165 K HN 0.527 nan 8.250 nan 0.000 0.427 166 I N 5.375 125.893 120.570 -0.087 0.000 2.371 166 I HA 0.199 4.377 4.170 0.015 0.000 0.290 166 I C 0.255 176.333 176.117 -0.065 0.000 1.028 166 I CA -0.373 60.879 61.300 -0.080 0.000 1.345 166 I CB 0.290 38.247 38.000 -0.072 0.000 1.407 166 I HN 0.358 nan 8.210 nan 0.000 0.501 167 L N 3.371 124.535 121.223 -0.097 0.000 2.309 167 L HA 0.741 5.090 4.340 0.015 0.000 0.240 167 L C -1.345 175.486 176.870 -0.066 0.000 1.136 167 L CA -0.672 54.075 54.840 -0.155 0.000 0.985 167 L CB 1.654 43.496 42.059 -0.362 0.000 1.572 167 L HN 0.357 nan 8.230 nan 0.000 0.426 168 D N -0.619 119.659 120.400 -0.204 0.000 2.476 168 D HA 0.367 5.016 4.640 0.015 0.000 0.251 168 D C -0.244 175.967 176.300 -0.148 0.000 1.291 168 D CA -0.339 53.602 54.000 -0.098 0.000 0.939 168 D CB 1.051 41.776 40.800 -0.123 0.000 1.221 168 D HN 0.403 nan 8.370 nan 0.000 0.567 169 F N 1.319 121.293 119.950 0.041 0.000 2.748 169 F HA 0.211 4.748 4.527 0.016 0.000 0.299 169 F C 2.031 177.842 175.800 0.019 0.000 1.154 169 F CA 0.040 58.055 58.000 0.025 0.000 1.446 169 F CB 0.064 39.073 39.000 0.015 0.000 1.112 169 F HN 0.362 nan 8.300 nan 0.000 0.584 170 G N 0.886 109.782 108.800 0.160 0.000 2.272 170 G HA2 0.211 4.179 3.960 0.015 0.000 0.247 170 G HA3 0.211 4.179 3.960 0.015 0.000 0.247 170 G C 0.564 175.514 174.900 0.082 0.000 1.272 170 G CA -0.203 44.942 45.100 0.075 0.000 0.921 170 G HN 0.398 nan 8.290 nan 0.000 0.495 171 L N 1.577 122.845 121.223 0.074 0.000 2.966 171 L HA 0.334 4.682 4.340 0.015 0.000 0.262 171 L C 1.492 178.417 176.870 0.091 0.000 1.165 171 L CA -0.106 54.806 54.840 0.119 0.000 0.978 171 L CB 0.071 42.178 42.059 0.081 0.000 1.337 171 L HN 0.607 nan 8.230 nan 0.000 0.563 172 A N 0.427 123.241 122.820 -0.009 0.000 2.247 172 A HA 0.672 5.001 4.320 0.015 0.000 0.313 172 A C 0.034 177.526 177.584 -0.152 0.000 1.109 172 A CA -0.515 51.496 52.037 -0.043 0.000 0.890 172 A CB 0.617 19.583 19.000 -0.055 0.000 1.239 172 A HN 0.169 nan 8.150 nan 0.000 0.506 173 R N -0.083 120.342 120.500 -0.126 0.000 2.539 173 R HA 0.279 4.628 4.340 0.015 0.000 0.275 173 R C -0.849 175.317 176.300 -0.223 0.000 1.077 173 R CA -0.137 55.846 56.100 -0.196 0.000 1.097 173 R CB 0.242 30.494 30.300 -0.080 0.000 1.018 173 R HN 0.788 nan 8.270 nan 0.000 0.483 174 H N 0.046 119.042 119.070 -0.124 0.000 2.848 174 H HA 0.110 4.674 4.556 0.015 0.000 0.341 174 H C 0.102 175.391 175.328 -0.064 0.000 1.060 174 H CA 0.846 56.837 56.048 -0.096 0.000 1.444 174 H CB 0.907 30.600 29.762 -0.114 0.000 1.446 174 H HN 0.354 nan 8.280 nan 0.000 0.583 175 T N 1.637 116.232 114.554 0.068 0.000 2.886 175 T HA 0.072 4.431 4.350 0.015 0.000 0.330 175 T C 0.104 174.818 174.700 0.024 0.000 1.488 175 T CA -0.802 61.315 62.100 0.028 0.000 1.054 175 T CB 0.977 69.848 68.868 0.005 0.000 1.348 175 T HN 0.655 nan 8.240 nan 0.000 0.489 176 D N 1.369 121.778 120.400 0.016 0.000 2.078 176 D HA -0.052 4.597 4.640 0.015 0.000 0.193 176 D C 1.528 177.842 176.300 0.023 0.000 0.990 176 D CA 1.358 55.369 54.000 0.018 0.000 0.827 176 D CB -0.198 40.601 40.800 -0.002 0.000 0.975 176 D HN 0.730 nan 8.370 nan 0.000 0.451 177 D N 0.390 120.797 120.400 0.011 0.000 2.248 177 D HA -0.281 4.368 4.640 0.015 0.000 0.191 177 D C 1.806 178.110 176.300 0.008 0.000 1.013 177 D CA 1.580 55.586 54.000 0.010 0.000 0.883 177 D CB -0.022 40.779 40.800 0.003 0.000 0.915 177 D HN 0.257 nan 8.370 nan 0.000 0.448 178 E N -0.823 119.377 120.200 0.000 0.000 2.085 178 E HA -0.193 4.166 4.350 0.015 0.000 0.194 178 E C 1.668 178.248 176.600 -0.034 0.000 0.994 178 E CA 0.918 57.307 56.400 -0.018 0.000 0.801 178 E CB -0.095 29.596 29.700 -0.015 0.000 0.743 178 E HN 0.427 nan 8.360 nan 0.000 0.453 179 M N 0.727 120.325 119.600 -0.004 0.000 2.568 179 M HA 0.044 4.533 4.480 0.015 0.000 0.226 179 M C -0.189 176.129 176.300 0.030 0.000 1.148 179 M CA 0.163 55.446 55.300 -0.029 0.000 1.007 179 M CB 0.653 33.242 32.600 -0.017 0.000 1.651 179 M HN -0.165 nan 8.290 nan 0.000 0.488 180 T N 0.960 115.547 114.554 0.056 0.000 2.817 180 T HA 0.560 4.919 4.350 0.015 0.000 0.293 180 T C 0.647 175.384 174.700 0.063 0.000 0.964 180 T CA 0.447 62.609 62.100 0.103 0.000 1.085 180 T CB 1.313 70.223 68.868 0.070 0.000 0.921 180 T HN 0.691 nan 8.240 nan 0.000 0.502 181 G N 2.376 111.243 108.800 0.112 0.000 2.499 181 G HA2 -0.248 3.721 3.960 0.015 0.000 0.232 181 G HA3 -0.248 3.721 3.960 0.015 0.000 0.232 181 G C -0.652 174.362 174.900 0.189 0.000 1.251 181 G CA -0.390 44.796 45.100 0.143 0.000 0.917 181 G HN 0.761 nan 8.290 nan 0.000 0.580 182 Y N 1.881 122.245 120.300 0.107 0.000 2.724 182 Y HA 0.504 5.063 4.550 0.015 0.000 0.332 182 Y C 0.702 176.636 175.900 0.057 0.000 1.276 182 Y CA -0.099 58.155 58.100 0.256 0.000 1.597 182 Y CB -0.017 38.603 38.460 0.267 0.000 1.584 182 Y HN 1.075 nan 8.280 nan 0.000 0.478 183 V N 1.235 120.807 119.914 -0.570 0.000 2.686 183 V HA 0.719 4.848 4.120 0.015 0.000 0.306 183 V C 0.606 175.599 176.094 -1.836 0.000 1.065 183 V CA -0.370 61.357 62.300 -0.955 0.000 0.894 183 V CB 1.053 32.611 31.823 -0.443 0.000 1.004 183 V HN 0.513 nan 8.190 nan 0.000 0.424 184 A N 2.827 124.606 122.820 -1.735 0.000 2.125 184 A HA -0.063 4.265 4.320 0.015 0.000 0.219 184 A C 1.979 179.327 177.584 -0.393 0.000 1.156 184 A CA 2.207 53.595 52.037 -1.082 0.000 0.671 184 A CB -0.831 17.945 19.000 -0.373 0.000 0.794 184 A HN 1.544 nan 8.150 nan 0.000 0.459 185 T N -3.549 110.775 114.554 -0.383 0.000 3.113 185 T HA 0.003 4.362 4.350 0.015 0.000 0.263 185 T C 1.608 176.226 174.700 -0.137 0.000 1.143 185 T CA 1.210 63.213 62.100 -0.161 0.000 1.090 185 T CB -0.085 68.696 68.868 -0.145 0.000 0.922 185 T HN 0.528 nan 8.240 nan 0.000 0.521 186 R N -1.460 118.879 120.500 -0.268 0.000 2.394 186 R HA 0.187 4.536 4.340 0.015 0.000 0.220 186 R C 1.164 177.447 176.300 -0.028 0.000 0.887 186 R CA -0.225 55.768 56.100 -0.179 0.000 1.034 186 R CB 0.236 30.365 30.300 -0.284 0.000 1.179 186 R HN 0.346 nan 8.270 nan 0.000 0.561 187 W N 0.098 121.298 121.300 -0.166 0.000 2.465 187 W HA -0.077 4.591 4.660 0.014 0.000 0.268 187 W C 0.639 176.919 176.519 -0.398 0.000 1.242 187 W CA 0.609 57.745 57.345 -0.347 0.000 1.248 187 W CB -0.460 28.638 29.460 -0.604 0.000 1.118 187 W HN 0.149 nan 8.180 nan 0.000 0.587 188 Y N -0.190 120.295 120.300 0.308 0.000 2.458 188 Y HA 0.216 4.775 4.550 0.015 0.000 0.256 188 Y C 1.098 177.186 175.900 0.313 0.000 1.159 188 Y CA -0.282 57.993 58.100 0.292 0.000 1.261 188 Y CB -0.251 38.311 38.460 0.170 0.000 1.119 188 Y HN -0.442 nan 8.280 nan 0.000 0.524 189 R N 1.317 121.978 120.500 0.268 0.000 2.441 189 R HA 0.492 4.841 4.340 0.015 0.000 0.284 189 R C 0.232 176.503 176.300 -0.048 0.000 1.070 189 R CA -0.740 55.423 56.100 0.106 0.000 1.047 189 R CB 0.288 30.555 30.300 -0.055 0.000 1.016 189 R HN 0.144 nan 8.270 nan 0.000 0.477 190 A N 4.795 127.493 122.820 -0.203 0.000 2.498 190 A HA 0.245 4.574 4.320 0.015 0.000 0.239 190 A C -1.246 175.872 177.584 -0.776 0.000 1.068 190 A CA -0.961 50.618 52.037 -0.764 0.000 0.766 190 A CB -0.020 18.774 19.000 -0.344 0.000 1.003 190 A HN 0.482 nan 8.150 nan 0.000 0.497 191 P HA -0.173 nan 4.420 nan 0.000 0.219 191 P C 1.105 177.700 177.300 -1.176 0.000 1.150 191 P CA 1.426 63.910 63.100 -1.028 0.000 0.814 191 P CB 0.068 31.095 31.700 -1.123 0.000 0.787 192 E N 0.161 119.848 120.200 -0.854 0.000 2.268 192 E HA -0.116 4.243 4.350 0.015 0.000 0.195 192 E C 2.039 178.468 176.600 -0.285 0.000 0.995 192 E CA 0.819 56.951 56.400 -0.447 0.000 0.836 192 E CB -0.908 28.817 29.700 0.042 0.000 0.763 192 E HN 0.289 nan 8.360 nan 0.000 0.491 193 I N 0.528 120.905 120.570 -0.321 0.000 2.400 193 I HA -0.107 4.072 4.170 0.015 0.000 0.248 193 I C 2.757 178.723 176.117 -0.251 0.000 1.109 193 I CA 0.576 61.718 61.300 -0.264 0.000 1.425 193 I CB -0.068 37.725 38.000 -0.344 0.000 1.094 193 I HN 0.107 nan 8.210 nan 0.000 0.425 194 M N 0.386 119.783 119.600 -0.338 0.000 2.159 194 M HA -0.181 4.308 4.480 0.015 0.000 0.263 194 M C 1.349 177.565 176.300 -0.140 0.000 1.063 194 M CA 1.939 57.091 55.300 -0.247 0.000 1.110 194 M CB 0.192 32.594 32.600 -0.329 0.000 1.374 194 M HN 0.149 nan 8.290 nan 0.000 0.411 195 L N -0.178 120.850 121.223 -0.325 0.000 2.857 195 L HA 0.198 4.547 4.340 0.015 0.000 0.249 195 L C 0.370 177.181 176.870 -0.099 0.000 1.172 195 L CA -0.424 54.282 54.840 -0.224 0.000 0.980 195 L CB -0.171 41.660 42.059 -0.381 0.000 1.299 195 L HN 0.371 nan 8.230 nan 0.000 0.535 196 N N 0.159 118.805 118.700 -0.091 0.000 2.705 196 N HA -0.249 4.500 4.740 0.015 0.000 0.255 196 N C 0.388 176.003 175.510 0.175 0.000 1.008 196 N CA 0.328 53.404 53.050 0.043 0.000 0.742 196 N CB -0.822 37.692 38.487 0.045 0.000 0.906 196 N HN 0.337 nan 8.380 nan 0.000 0.541 197 W N 0.010 121.304 121.300 -0.011 0.000 2.518 197 W HA 0.214 4.882 4.660 0.014 0.000 0.273 197 W C 1.476 177.968 176.519 -0.046 0.000 1.247 197 W CA 1.053 58.382 57.345 -0.026 0.000 1.288 197 W CB -0.293 29.148 29.460 -0.033 0.000 1.107 197 W HN 0.528 nan 8.180 nan 0.000 0.586 198 M N -2.704 117.012 119.600 0.193 0.000 3.015 198 M HA 0.224 4.713 4.480 0.015 0.000 0.272 198 M C -1.065 175.269 176.300 0.057 0.000 1.085 198 M CA -0.879 54.447 55.300 0.043 0.000 0.795 198 M CB 1.328 33.976 32.600 0.079 0.000 1.632 198 M HN -0.335 nan 8.290 nan 0.000 0.535 199 H N 2.359 121.445 119.070 0.027 0.000 3.107 199 H HA 0.227 4.792 4.556 0.015 0.000 0.301 199 H C -1.181 174.100 175.328 -0.077 0.000 0.981 199 H CA 0.702 56.696 56.048 -0.090 0.000 1.443 199 H CB -0.435 29.249 29.762 -0.129 0.000 1.479 199 H HN 0.585 nan 8.280 nan 0.000 0.564 200 Y N 1.340 121.712 120.300 0.119 0.000 2.403 200 Y HA 0.327 4.885 4.550 0.014 0.000 0.323 200 Y C 0.520 176.437 175.900 0.028 0.000 1.226 200 Y CA -1.309 56.825 58.100 0.055 0.000 1.235 200 Y CB 0.720 39.193 38.460 0.020 0.000 1.248 200 Y HN 0.629 nan 8.280 nan 0.000 0.489 201 N N 0.893 119.702 118.700 0.183 0.000 2.671 201 N HA 0.140 4.889 4.740 0.015 0.000 0.303 201 N C 0.352 175.920 175.510 0.098 0.000 1.277 201 N CA -0.694 52.399 53.050 0.072 0.000 0.933 201 N CB 1.170 39.670 38.487 0.022 0.000 1.190 201 N HN 0.894 nan 8.380 nan 0.000 0.600 202 Q N -0.849 118.910 119.800 -0.067 0.000 2.368 202 Q HA -0.130 4.219 4.340 0.015 0.000 0.210 202 Q C 1.178 177.050 176.000 -0.214 0.000 0.982 202 Q CA 1.952 57.577 55.803 -0.298 0.000 0.884 202 Q CB -0.716 27.559 28.738 -0.772 0.000 0.933 202 Q HN 0.813 nan 8.270 nan 0.000 0.460 203 T N -1.243 113.293 114.554 -0.031 0.000 3.160 203 T HA 0.047 4.405 4.350 0.015 0.000 0.257 203 T C 1.861 176.658 174.700 0.162 0.000 1.147 203 T CA 0.559 62.714 62.100 0.092 0.000 1.064 203 T CB -0.379 68.562 68.868 0.123 0.000 0.949 203 T HN 0.323 nan 8.240 nan 0.000 0.526 204 V N 0.389 120.385 119.914 0.137 0.000 2.370 204 V HA -0.229 3.900 4.120 0.015 0.000 0.252 204 V C 2.041 178.252 176.094 0.195 0.000 1.068 204 V CA 2.138 64.517 62.300 0.131 0.000 1.061 204 V CB -0.847 30.982 31.823 0.010 0.000 0.656 204 V HN 0.291 nan 8.190 nan 0.000 0.455 205 D N 0.246 120.769 120.400 0.205 0.000 2.224 205 D HA 0.004 4.653 4.640 0.015 0.000 0.205 205 D C 2.164 178.594 176.300 0.218 0.000 0.965 205 D CA 1.146 55.281 54.000 0.225 0.000 0.852 205 D CB -0.065 40.932 40.800 0.328 0.000 0.947 205 D HN 0.438 nan 8.370 nan 0.000 0.494 206 I N 0.361 121.078 120.570 0.245 0.000 2.315 206 I HA -0.197 3.982 4.170 0.015 0.000 0.248 206 I C 2.339 178.580 176.117 0.207 0.000 1.117 206 I CA 0.602 62.020 61.300 0.196 0.000 1.404 206 I CB -0.961 37.153 38.000 0.191 0.000 1.071 206 I HN 0.266 nan 8.210 nan 0.000 0.419 207 W N 2.315 123.681 121.300 0.110 0.000 2.335 207 W HA -0.244 4.425 4.660 0.014 0.000 0.311 207 W C 2.516 179.125 176.519 0.149 0.000 1.213 207 W CA 1.960 59.382 57.345 0.127 0.000 1.274 207 W CB -0.340 29.181 29.460 0.102 0.000 1.148 207 W HN 0.107 nan 8.180 nan 0.000 0.498 208 S N 0.883 116.796 115.700 0.355 0.000 2.370 208 S HA -0.205 4.273 4.470 0.015 0.000 0.226 208 S C 1.859 176.531 174.600 0.120 0.000 1.033 208 S CA 1.791 60.153 58.200 0.270 0.000 1.011 208 S CB -0.884 62.445 63.200 0.215 0.000 0.852 208 S HN 0.145 nan 8.310 nan 0.000 0.457 209 V N 1.883 121.837 119.914 0.067 0.000 2.332 209 V HA -0.172 3.957 4.120 0.015 0.000 0.248 209 V C 2.669 178.749 176.094 -0.022 0.000 1.055 209 V CA 1.923 64.231 62.300 0.014 0.000 1.038 209 V CB -1.617 30.214 31.823 0.014 0.000 0.651 209 V HN 0.597 nan 8.190 nan 0.000 0.450 210 G N -1.052 107.701 108.800 -0.079 0.000 2.440 210 G HA2 -0.295 3.674 3.960 0.015 0.000 0.218 210 G HA3 -0.295 3.674 3.960 0.015 0.000 0.218 210 G C 1.718 176.504 174.900 -0.189 0.000 1.154 210 G CA 1.424 46.419 45.100 -0.176 0.000 0.767 210 G HN 0.552 nan 8.290 nan 0.000 0.552 211 C N 0.099 119.310 119.300 -0.148 0.000 2.440 211 C HA 0.106 4.575 4.460 0.015 0.000 0.278 211 C C 2.819 177.866 174.990 0.095 0.000 1.295 211 C CA 0.378 59.369 59.018 -0.044 0.000 1.738 211 C CB -0.922 26.916 27.740 0.165 0.000 1.987 211 C HN 0.468 nan 8.230 nan 0.000 0.492 212 I N 0.271 120.915 120.570 0.123 0.000 2.286 212 I HA -0.218 3.961 4.170 0.015 0.000 0.245 212 I C 2.627 178.757 176.117 0.021 0.000 1.104 212 I CA 1.449 62.800 61.300 0.085 0.000 1.397 212 I CB -0.389 37.603 38.000 -0.014 0.000 1.072 212 I HN 0.343 nan 8.210 nan 0.000 0.417 213 M N 0.744 120.331 119.600 -0.021 0.000 2.117 213 M HA -0.205 4.284 4.480 0.015 0.000 0.262 213 M C 2.420 178.654 176.300 -0.110 0.000 1.065 213 M CA 2.139 57.413 55.300 -0.043 0.000 1.114 213 M CB -0.126 32.431 32.600 -0.072 0.000 1.361 213 M HN 0.244 nan 8.290 nan 0.000 0.408 214 A N 0.240 122.953 122.820 -0.178 0.000 1.873 214 A HA -0.289 4.040 4.320 0.015 0.000 0.218 214 A C 1.969 179.545 177.584 -0.014 0.000 1.193 214 A CA 2.287 54.214 52.037 -0.185 0.000 0.629 214 A CB -1.114 17.815 19.000 -0.118 0.000 0.826 214 A HN 0.738 nan 8.150 nan 0.000 0.447 215 E N -0.254 119.947 120.200 0.002 0.000 2.153 215 E HA -0.138 4.221 4.350 0.015 0.000 0.194 215 E C 1.869 178.495 176.600 0.044 0.000 0.988 215 E CA 0.986 57.409 56.400 0.038 0.000 0.811 215 E CB -0.208 29.553 29.700 0.103 0.000 0.746 215 E HN 0.652 nan 8.360 nan 0.000 0.466 216 L N 0.357 121.603 121.223 0.038 0.000 2.141 216 L HA -0.133 4.216 4.340 0.015 0.000 0.209 216 L C 2.406 179.310 176.870 0.055 0.000 1.094 216 L CA 0.583 55.453 54.840 0.050 0.000 0.763 216 L CB -0.280 41.815 42.059 0.059 0.000 0.908 216 L HN 0.258 nan 8.230 nan 0.000 0.437 217 L N -0.492 120.751 121.223 0.034 0.000 2.131 217 L HA -0.114 4.235 4.340 0.015 0.000 0.206 217 L C 2.601 179.514 176.870 0.072 0.000 1.087 217 L CA 1.750 56.617 54.840 0.044 0.000 0.767 217 L CB -0.519 41.532 42.059 -0.013 0.000 0.917 217 L HN 0.404 nan 8.230 nan 0.000 0.441 218 T N -4.778 109.824 114.554 0.080 0.000 3.014 218 T HA 0.210 4.569 4.350 0.015 0.000 0.250 218 T C 1.501 176.219 174.700 0.030 0.000 1.060 218 T CA 0.469 62.606 62.100 0.062 0.000 1.040 218 T CB 0.640 69.540 68.868 0.053 0.000 0.971 218 T HN 0.389 nan 8.240 nan 0.000 0.497 219 G N 2.036 110.857 108.800 0.035 0.000 2.166 219 G HA2 -0.229 3.740 3.960 0.015 0.000 0.260 219 G HA3 -0.229 3.740 3.960 0.015 0.000 0.260 219 G C 0.040 174.948 174.900 0.013 0.000 0.986 219 G CA 0.064 45.181 45.100 0.029 0.000 0.683 219 G HN 0.664 nan 8.290 nan 0.000 0.527 220 R N -0.131 120.364 120.500 -0.009 0.000 2.750 220 R HA 0.549 4.898 4.340 0.015 0.000 0.281 220 R C -0.007 176.242 176.300 -0.085 0.000 0.972 220 R CA -0.501 55.569 56.100 -0.050 0.000 0.912 220 R CB 0.671 30.922 30.300 -0.082 0.000 1.187 220 R HN 0.130 nan 8.270 nan 0.000 0.464 221 T N 2.671 117.138 114.554 -0.145 0.000 2.902 221 T HA -0.014 4.344 4.350 0.015 0.000 0.301 221 T C 1.601 176.096 174.700 -0.341 0.000 1.012 221 T CA -0.186 61.767 62.100 -0.246 0.000 1.151 221 T CB 0.508 69.060 68.868 -0.527 0.000 0.946 221 T HN 0.350 nan 8.240 nan 0.000 0.542 222 L N 2.767 123.753 121.223 -0.395 0.000 2.027 222 L HA 0.187 4.535 4.340 0.015 0.000 0.206 222 L C 0.341 176.751 176.870 -0.767 0.000 1.074 222 L CA 1.792 56.241 54.840 -0.651 0.000 0.745 222 L CB -0.241 41.285 42.059 -0.888 0.000 0.898 222 L HN 0.634 nan 8.230 nan 0.000 0.433 223 F N 1.026 120.815 119.950 -0.268 0.000 2.531 223 F HA 0.399 4.934 4.527 0.014 0.000 0.333 223 F C -2.083 173.416 175.800 -0.502 0.000 1.292 223 F CA -2.622 55.232 58.000 -0.244 0.000 1.184 223 F CB 0.120 39.080 39.000 -0.068 0.000 1.426 223 F HN 0.027 nan 8.300 nan 0.000 0.559 224 P HA 0.133 nan 4.420 nan 0.000 0.230 224 P C 0.625 177.689 177.300 -0.394 0.000 1.791 224 P CA 0.260 62.582 63.100 -1.297 0.000 1.020 224 P CB 0.281 31.386 31.700 -0.991 0.000 1.977 225 G N 1.325 110.076 108.800 -0.082 0.000 2.441 225 G HA2 0.190 4.159 3.960 0.015 0.000 0.243 225 G HA3 0.190 4.159 3.960 0.015 0.000 0.243 225 G C 1.191 176.363 174.900 0.454 0.000 1.281 225 G CA -0.185 45.044 45.100 0.215 0.000 0.854 225 G HN 0.330 nan 8.290 nan 0.000 0.560 226 T N -1.657 113.116 114.554 0.365 0.000 3.118 226 T HA 0.172 4.531 4.350 0.015 0.000 0.260 226 T C 0.384 175.247 174.700 0.272 0.000 1.139 226 T CA 0.876 63.204 62.100 0.381 0.000 1.085 226 T CB -0.370 68.621 68.868 0.204 0.000 0.934 226 T HN 0.766 nan 8.240 nan 0.000 0.518 227 D N -1.918 118.616 120.400 0.223 0.000 2.738 227 D HA 0.237 4.886 4.640 0.015 0.000 0.308 227 D C -0.010 176.402 176.300 0.187 0.000 1.311 227 D CA -0.876 53.247 54.000 0.204 0.000 0.799 227 D CB 0.099 41.001 40.800 0.170 0.000 1.332 227 D HN -0.100 nan 8.370 nan 0.000 0.441 228 H N -0.408 118.682 119.070 0.034 0.000 2.353 228 H HA -0.045 4.520 4.556 0.015 0.000 0.298 228 H C 1.610 176.943 175.328 0.009 0.000 1.103 228 H CA 1.722 57.770 56.048 -0.000 0.000 1.293 228 H CB -0.117 29.620 29.762 -0.042 0.000 1.372 228 H HN 0.337 nan 8.280 nan 0.000 0.501 229 I N 0.275 120.938 120.570 0.154 0.000 2.286 229 I HA -0.174 4.005 4.170 0.015 0.000 0.245 229 I C 2.112 178.301 176.117 0.119 0.000 1.104 229 I CA 1.303 62.674 61.300 0.119 0.000 1.397 229 I CB -1.026 37.017 38.000 0.072 0.000 1.072 229 I HN 0.263 nan 8.210 nan 0.000 0.417 230 D N 0.541 121.008 120.400 0.112 0.000 2.123 230 D HA -0.270 4.379 4.640 0.015 0.000 0.196 230 D C 2.256 178.611 176.300 0.091 0.000 0.992 230 D CA 1.424 55.486 54.000 0.103 0.000 0.833 230 D CB 0.043 40.910 40.800 0.112 0.000 0.954 230 D HN 0.330 nan 8.370 nan 0.000 0.455 231 Q N -0.775 119.078 119.800 0.089 0.000 2.079 231 Q HA -0.133 4.216 4.340 0.015 0.000 0.200 231 Q C 2.201 178.186 176.000 -0.026 0.000 0.974 231 Q CA 0.962 56.795 55.803 0.051 0.000 0.840 231 Q CB -0.197 28.569 28.738 0.047 0.000 0.898 231 Q HN 0.380 nan 8.270 nan 0.000 0.430 232 L N 1.062 122.282 121.223 -0.005 0.000 2.079 232 L HA -0.199 4.149 4.340 0.015 0.000 0.210 232 L C 1.797 178.676 176.870 0.015 0.000 1.081 232 L CA 1.898 56.727 54.840 -0.017 0.000 0.752 232 L CB -0.213 41.897 42.059 0.085 0.000 0.896 232 L HN 0.060 nan 8.230 nan 0.000 0.433 233 K N -0.733 119.702 120.400 0.058 0.000 2.097 233 K HA -0.095 4.234 4.320 0.015 0.000 0.205 233 K C 2.052 178.682 176.600 0.050 0.000 1.050 233 K CA 1.551 57.876 56.287 0.062 0.000 0.938 233 K CB -0.291 32.254 32.500 0.075 0.000 0.718 233 K HN 0.348 nan 8.250 nan 0.000 0.442 234 L N 0.790 122.044 121.223 0.052 0.000 2.046 234 L HA -0.193 4.156 4.340 0.015 0.000 0.208 234 L C 2.339 179.264 176.870 0.090 0.000 1.077 234 L CA 1.181 56.088 54.840 0.113 0.000 0.747 234 L CB -0.501 41.679 42.059 0.202 0.000 0.896 234 L HN 0.167 nan 8.230 nan 0.000 0.432 235 I N -0.133 120.325 120.570 -0.188 0.000 2.142 235 I HA -0.319 3.860 4.170 0.015 0.000 0.240 235 I C 2.420 178.536 176.117 -0.002 0.000 1.078 235 I CA 1.478 62.538 61.300 -0.400 0.000 1.343 235 I CB -0.265 37.418 38.000 -0.529 0.000 1.046 235 I HN 0.206 nan 8.210 nan 0.000 0.405 236 L N 0.075 121.315 121.223 0.029 0.000 2.141 236 L HA -0.176 4.172 4.340 0.015 0.000 0.209 236 L C 2.722 179.654 176.870 0.103 0.000 1.094 236 L CA 0.985 55.878 54.840 0.088 0.000 0.763 236 L CB -0.661 41.441 42.059 0.073 0.000 0.908 236 L HN 0.249 nan 8.230 nan 0.000 0.437 237 R N 0.547 121.102 120.500 0.093 0.000 2.091 237 R HA -0.223 4.126 4.340 0.015 0.000 0.238 237 R C 2.318 178.690 176.300 0.120 0.000 1.136 237 R CA 1.707 57.861 56.100 0.090 0.000 0.959 237 R CB -0.185 30.158 30.300 0.071 0.000 0.856 237 R HN 0.228 nan 8.270 nan 0.000 0.437 238 L N 0.316 121.644 121.223 0.175 0.000 2.068 238 L HA -0.062 4.287 4.340 0.015 0.000 0.204 238 L C 1.985 179.042 176.870 0.311 0.000 1.076 238 L CA 1.507 56.461 54.840 0.191 0.000 0.753 238 L CB 0.021 42.221 42.059 0.234 0.000 0.910 238 L HN 0.170 nan 8.230 nan 0.000 0.439 239 V N -2.565 117.548 119.914 0.331 0.000 3.647 239 V HA 0.604 4.733 4.120 0.015 0.000 0.279 239 V C 0.901 177.140 176.094 0.242 0.000 1.314 239 V CA 0.109 62.635 62.300 0.376 0.000 1.125 239 V CB -1.099 30.989 31.823 0.441 0.000 0.907 239 V HN 0.634 nan 8.190 nan 0.000 0.434 240 G N 1.094 110.005 108.800 0.184 0.000 2.712 240 G HA2 -0.034 3.934 3.960 0.015 0.000 0.686 240 G HA3 -0.034 3.934 3.960 0.015 0.000 0.686 240 G C -0.252 174.710 174.900 0.103 0.000 1.321 240 G CA -0.316 44.858 45.100 0.124 0.000 0.813 240 G HN 1.267 nan 8.290 nan 0.000 0.599 241 T N 0.284 114.876 114.554 0.063 0.000 2.860 241 T HA 0.607 4.966 4.350 0.015 0.000 0.299 241 T C -2.061 172.654 174.700 0.024 0.000 1.045 241 T CA -0.782 61.340 62.100 0.037 0.000 1.071 241 T CB 1.267 70.136 68.868 0.002 0.000 0.985 241 T HN 0.540 nan 8.240 nan 0.000 0.537 242 P HA 0.351 nan 4.420 nan 0.000 0.271 242 P C 0.512 177.785 177.300 -0.044 0.000 1.216 242 P CA -0.171 62.908 63.100 -0.035 0.000 0.776 242 P CB 0.283 31.905 31.700 -0.131 0.000 0.881 243 G N 0.748 109.530 108.800 -0.030 0.000 2.543 243 G HA2 0.389 4.358 3.960 0.015 0.000 0.290 243 G HA3 0.389 4.358 3.960 0.015 0.000 0.290 243 G C 1.062 175.931 174.900 -0.052 0.000 1.310 243 G CA -0.066 45.014 45.100 -0.032 0.000 1.025 243 G HN 0.446 nan 8.290 nan 0.000 0.502 244 A N -0.844 121.950 122.820 -0.044 0.000 1.940 244 A HA -0.066 4.263 4.320 0.015 0.000 0.219 244 A C 2.056 179.608 177.584 -0.053 0.000 1.176 244 A CA 2.144 54.151 52.037 -0.051 0.000 0.631 244 A CB -0.521 18.456 19.000 -0.037 0.000 0.814 244 A HN 0.744 nan 8.150 nan 0.000 0.446 245 E N -0.941 119.235 120.200 -0.038 0.000 2.051 245 E HA -0.191 4.168 4.350 0.015 0.000 0.192 245 E C 1.976 178.547 176.600 -0.048 0.000 0.991 245 E CA 1.299 57.679 56.400 -0.033 0.000 0.799 245 E CB -0.251 29.439 29.700 -0.015 0.000 0.748 245 E HN 0.524 nan 8.360 nan 0.000 0.449 246 L N 1.071 122.260 121.223 -0.056 0.000 2.056 246 L HA -0.128 4.221 4.340 0.015 0.000 0.207 246 L C 2.062 178.840 176.870 -0.153 0.000 1.078 246 L CA 1.365 56.155 54.840 -0.082 0.000 0.749 246 L CB -0.369 41.649 42.059 -0.069 0.000 0.901 246 L HN 0.119 nan 8.230 nan 0.000 0.433 247 L N -0.376 120.748 121.223 -0.166 0.000 2.051 247 L HA -0.328 4.021 4.340 0.015 0.000 0.214 247 L C 2.622 179.391 176.870 -0.167 0.000 1.076 247 L CA 1.806 56.523 54.840 -0.204 0.000 0.758 247 L CB -0.665 41.300 42.059 -0.157 0.000 0.890 247 L HN 0.301 nan 8.230 nan 0.000 0.433 248 K N 0.047 120.379 120.400 -0.113 0.000 2.209 248 K HA -0.171 4.158 4.320 0.015 0.000 0.204 248 K C 1.878 178.427 176.600 -0.085 0.000 1.048 248 K CA 1.179 57.415 56.287 -0.086 0.000 0.940 248 K CB -0.006 32.459 32.500 -0.059 0.000 0.729 248 K HN 0.374 nan 8.250 nan 0.000 0.451 249 K N 0.440 120.785 120.400 -0.090 0.000 2.459 249 K HA 0.086 4.414 4.320 0.015 0.000 0.193 249 K C 0.424 176.970 176.600 -0.090 0.000 1.030 249 K CA 0.268 56.514 56.287 -0.067 0.000 1.026 249 K CB 0.222 32.700 32.500 -0.036 0.000 0.809 249 K HN 0.102 nan 8.250 nan 0.000 0.504 250 I N 2.857 123.328 120.570 -0.164 0.000 2.311 250 I HA -0.066 4.113 4.170 0.015 0.000 0.297 250 I C 1.351 177.392 176.117 -0.127 0.000 1.131 250 I CA -0.186 60.993 61.300 -0.202 0.000 1.289 250 I CB 0.739 38.468 38.000 -0.452 0.000 1.446 250 I HN 0.139 nan 8.210 nan 0.000 0.524 251 S N 2.420 118.069 115.700 -0.084 0.000 2.447 251 S HA -0.110 4.368 4.470 0.015 0.000 0.233 251 S C 1.176 175.740 174.600 -0.060 0.000 1.006 251 S CA 0.088 58.240 58.200 -0.080 0.000 0.957 251 S CB -0.087 63.046 63.200 -0.112 0.000 0.773 251 S HN 0.615 nan 8.310 nan 0.000 0.507 252 S N 1.294 116.971 115.700 -0.038 0.000 2.455 252 S HA 0.187 4.665 4.470 0.015 0.000 0.278 252 S C 0.796 175.381 174.600 -0.025 0.000 1.216 252 S CA -0.578 57.616 58.200 -0.010 0.000 1.055 252 S CB 0.535 63.765 63.200 0.051 0.000 0.939 252 S HN 0.488 nan 8.310 nan 0.000 0.494 253 E N 2.996 123.184 120.200 -0.021 0.000 2.158 253 E HA -0.094 4.265 4.350 0.015 0.000 0.191 253 E C 2.163 178.760 176.600 -0.006 0.000 0.982 253 E CA 1.200 57.586 56.400 -0.025 0.000 0.823 253 E CB -0.028 29.659 29.700 -0.021 0.000 0.766 253 E HN 0.910 nan 8.360 nan 0.000 0.468 254 S N 1.513 117.221 115.700 0.013 0.000 2.356 254 S HA -0.165 4.314 4.470 0.015 0.000 0.223 254 S C 2.330 176.975 174.600 0.075 0.000 1.032 254 S CA 0.945 59.167 58.200 0.037 0.000 1.005 254 S CB -0.394 62.824 63.200 0.031 0.000 0.867 254 S HN 0.283 nan 8.310 nan 0.000 0.449 255 A N 2.520 125.389 122.820 0.082 0.000 1.877 255 A HA -0.096 4.232 4.320 0.015 0.000 0.216 255 A C 2.333 179.932 177.584 0.024 0.000 1.186 255 A CA 1.638 53.762 52.037 0.145 0.000 0.620 255 A CB -0.815 18.328 19.000 0.239 0.000 0.822 255 A HN 0.533 nan 8.150 nan 0.000 0.443 256 R N -0.126 120.322 120.500 -0.087 0.000 2.083 256 R HA -0.188 4.161 4.340 0.015 0.000 0.237 256 R C 2.232 178.477 176.300 -0.091 0.000 1.137 256 R CA 1.767 57.770 56.100 -0.162 0.000 0.951 256 R CB -0.432 29.776 30.300 -0.152 0.000 0.851 256 R HN 0.698 nan 8.270 nan 0.000 0.434 257 N N -0.051 118.632 118.700 -0.028 0.000 2.166 257 N HA -0.236 4.513 4.740 0.015 0.000 0.186 257 N C 1.766 177.295 175.510 0.033 0.000 1.019 257 N CA 1.306 54.353 53.050 -0.005 0.000 0.856 257 N CB -0.226 38.269 38.487 0.013 0.000 0.993 257 N HN 0.300 nan 8.380 nan 0.000 0.426 258 Y N 1.914 122.204 120.300 -0.017 0.000 2.145 258 Y HA -0.117 4.442 4.550 0.014 0.000 0.286 258 Y C 2.221 178.124 175.900 0.005 0.000 1.145 258 Y CA 1.639 59.744 58.100 0.009 0.000 1.148 258 Y CB -0.546 37.939 38.460 0.042 0.000 0.981 258 Y HN 0.026 nan 8.280 nan 0.000 0.507 259 I N 0.484 120.910 120.570 -0.240 0.000 2.361 259 I HA -0.338 3.841 4.170 0.015 0.000 0.251 259 I C 2.213 178.162 176.117 -0.280 0.000 1.133 259 I CA 1.596 62.698 61.300 -0.330 0.000 1.413 259 I CB -0.745 37.129 38.000 -0.211 0.000 1.073 259 I HN 0.255 nan 8.210 nan 0.000 0.424 260 Q N 0.745 120.425 119.800 -0.200 0.000 2.364 260 Q HA -0.142 4.207 4.340 0.015 0.000 0.209 260 Q C 2.265 178.181 176.000 -0.139 0.000 0.977 260 Q CA 1.595 57.312 55.803 -0.143 0.000 0.885 260 Q CB -0.260 28.418 28.738 -0.100 0.000 0.941 260 Q HN 0.709 nan 8.270 nan 0.000 0.464 261 S N -0.273 115.313 115.700 -0.190 0.000 2.522 261 S HA 0.053 4.532 4.470 0.015 0.000 0.227 261 S C 0.779 175.288 174.600 -0.152 0.000 0.986 261 S CA -0.077 58.038 58.200 -0.141 0.000 0.929 261 S CB -0.073 63.065 63.200 -0.103 0.000 0.769 261 S HN 0.166 nan 8.310 nan 0.000 0.529 262 L N 2.539 123.635 121.223 -0.212 0.000 2.371 262 L HA 0.294 4.643 4.340 0.015 0.000 0.272 262 L C 0.255 177.076 176.870 -0.083 0.000 1.124 262 L CA -0.565 54.184 54.840 -0.153 0.000 0.816 262 L CB 0.653 42.601 42.059 -0.184 0.000 1.129 262 L HN 0.038 nan 8.230 nan 0.000 0.448 263 T N 2.758 117.284 114.554 -0.048 0.000 2.908 263 T HA -0.001 4.358 4.350 0.015 0.000 0.301 263 T C 0.245 174.931 174.700 -0.023 0.000 1.019 263 T CA -0.140 61.943 62.100 -0.028 0.000 1.152 263 T CB 0.164 69.024 68.868 -0.012 0.000 0.966 263 T HN 0.480 nan 8.240 nan 0.000 0.540 264 Q N 2.534 122.322 119.800 -0.020 0.000 2.361 264 Q HA 0.320 4.669 4.340 0.015 0.000 0.276 264 Q C -0.274 175.729 176.000 0.004 0.000 1.022 264 Q CA 0.478 56.274 55.803 -0.011 0.000 0.898 264 Q CB 0.471 29.201 28.738 -0.012 0.000 1.246 264 Q HN 0.566 nan 8.270 nan 0.000 0.410 265 M N 3.475 123.084 119.600 0.016 0.000 2.446 265 M HA 0.434 4.923 4.480 0.015 0.000 0.294 265 M C -2.411 173.915 176.300 0.043 0.000 1.158 265 M CA -2.039 53.279 55.300 0.030 0.000 0.899 265 M CB 2.641 35.264 32.600 0.038 0.000 1.687 265 M HN 0.430 nan 8.290 nan 0.000 0.455 266 P HA 0.194 nan 4.420 nan 0.000 0.279 266 P C -1.424 175.928 177.300 0.087 0.000 1.252 266 P CA -0.557 62.577 63.100 0.056 0.000 0.811 266 P CB 0.841 32.569 31.700 0.046 0.000 1.035 267 K N 2.484 122.945 120.400 0.103 0.000 2.484 267 K HA 0.081 4.410 4.320 0.015 0.000 0.280 267 K C 0.330 177.029 176.600 0.165 0.000 1.013 267 K CA 0.057 56.438 56.287 0.158 0.000 1.029 267 K CB 0.006 32.585 32.500 0.131 0.000 0.902 267 K HN 0.409 nan 8.250 nan 0.000 0.481 268 M N 2.725 122.460 119.600 0.225 0.000 2.202 268 M HA 0.012 4.501 4.480 0.015 0.000 0.316 268 M C 0.658 177.124 176.300 0.276 0.000 1.138 268 M CA -0.300 55.115 55.300 0.193 0.000 1.151 268 M CB 0.405 33.081 32.600 0.128 0.000 1.422 268 M HN 0.603 nan 8.290 nan 0.000 0.471 269 N N 0.854 119.667 118.700 0.188 0.000 2.411 269 N HA 0.048 4.797 4.740 0.015 0.000 0.259 269 N C -0.122 175.566 175.510 0.296 0.000 1.103 269 N CA 0.205 53.379 53.050 0.206 0.000 0.954 269 N CB 0.417 38.968 38.487 0.106 0.000 1.085 269 N HN 0.436 nan 8.380 nan 0.000 0.485 270 F N 2.454 122.447 119.950 0.071 0.000 2.325 270 F HA 0.072 4.607 4.527 0.015 0.000 0.299 270 F C 2.235 178.134 175.800 0.164 0.000 1.090 270 F CA 0.604 58.697 58.000 0.155 0.000 1.392 270 F CB -0.651 38.486 39.000 0.228 0.000 1.053 270 F HN 0.685 nan 8.300 nan 0.000 0.521 271 A N -0.251 122.739 122.820 0.282 0.000 2.067 271 A HA -0.143 4.186 4.320 0.015 0.000 0.219 271 A C 1.895 179.532 177.584 0.089 0.000 1.158 271 A CA 1.515 53.654 52.037 0.170 0.000 0.661 271 A CB -0.535 18.530 19.000 0.109 0.000 0.801 271 A HN 0.289 nan 8.150 nan 0.000 0.452 272 N N -0.629 118.103 118.700 0.054 0.000 2.353 272 N HA 0.055 4.804 4.740 0.015 0.000 0.185 272 N C 1.266 176.710 175.510 -0.110 0.000 1.098 272 N CA 0.793 53.835 53.050 -0.013 0.000 0.872 272 N CB 0.518 39.003 38.487 -0.004 0.000 0.970 272 N HN 0.303 nan 8.380 nan 0.000 0.467 273 V N -0.427 119.360 119.914 -0.211 0.000 2.672 273 V HA 0.113 4.242 4.120 0.015 0.000 0.242 273 V C 0.247 175.950 176.094 -0.652 0.000 1.059 273 V CA 0.774 62.752 62.300 -0.536 0.000 1.081 273 V CB -0.180 31.096 31.823 -0.912 0.000 0.752 273 V HN 0.005 nan 8.190 nan 0.000 0.472 274 F N 1.132 121.024 119.950 -0.096 0.000 2.640 274 F HA 0.462 4.998 4.527 0.016 0.000 0.331 274 F C 0.407 176.182 175.800 -0.041 0.000 1.200 274 F CA -0.652 57.300 58.000 -0.080 0.000 1.278 274 F CB -0.790 38.159 39.000 -0.084 0.000 1.571 274 F HN -0.024 nan 8.300 nan 0.000 0.576 275 I N 1.543 122.137 120.570 0.040 0.000 2.668 275 I HA 0.141 4.320 4.170 0.015 0.000 0.285 275 I C 1.414 177.561 176.117 0.051 0.000 1.168 275 I CA 0.880 62.199 61.300 0.032 0.000 1.424 275 I CB -0.047 37.947 38.000 -0.010 0.000 1.377 275 I HN 0.757 nan 8.210 nan 0.000 0.560 276 G N 4.082 112.912 108.800 0.050 0.000 2.217 276 G HA2 -0.219 3.749 3.960 0.015 0.000 0.246 276 G HA3 -0.219 3.749 3.960 0.015 0.000 0.246 276 G C 0.396 175.328 174.900 0.053 0.000 0.990 276 G CA -0.057 45.069 45.100 0.044 0.000 0.627 276 G HN 0.982 nan 8.290 nan 0.000 0.522 277 A N 0.075 122.937 122.820 0.071 0.000 2.351 277 A HA 0.584 4.913 4.320 0.015 0.000 0.257 277 A C 0.737 178.339 177.584 0.030 0.000 1.087 277 A CA 0.415 52.481 52.037 0.050 0.000 0.798 277 A CB 0.226 19.249 19.000 0.039 0.000 1.033 277 A HN 0.909 nan 8.150 nan 0.000 0.488 278 N N 1.328 120.044 118.700 0.027 0.000 2.223 278 N HA -0.025 4.724 4.740 0.015 0.000 0.271 278 N C -1.796 173.705 175.510 -0.015 0.000 1.315 278 N CA -1.029 52.041 53.050 0.035 0.000 0.835 278 N CB 0.607 39.167 38.487 0.123 0.000 1.066 278 N HN 0.192 nan 8.380 nan 0.000 0.486 279 P HA -0.103 nan 4.420 nan 0.000 0.219 279 P C 1.359 178.647 177.300 -0.019 0.000 1.146 279 P CA 0.999 64.101 63.100 0.004 0.000 0.808 279 P CB 0.267 31.979 31.700 0.020 0.000 0.779 280 L N -1.618 119.604 121.223 -0.003 0.000 2.240 280 L HA -0.047 4.302 4.340 0.015 0.000 0.211 280 L C 2.368 179.090 176.870 -0.248 0.000 1.106 280 L CA 1.052 55.916 54.840 0.039 0.000 0.793 280 L CB -0.859 41.308 42.059 0.181 0.000 0.927 280 L HN -0.040 nan 8.230 nan 0.000 0.446 281 A N -0.293 122.201 122.820 -0.544 0.000 1.930 281 A HA -0.112 4.217 4.320 0.015 0.000 0.217 281 A C 2.282 179.552 177.584 -0.523 0.000 1.175 281 A CA 1.372 52.820 52.037 -0.982 0.000 0.627 281 A CB -0.601 17.848 19.000 -0.919 0.000 0.815 281 A HN 0.177 nan 8.150 nan 0.000 0.443 282 V N 0.449 120.200 119.914 -0.271 0.000 2.358 282 V HA -0.259 3.869 4.120 0.015 0.000 0.246 282 V C 2.297 178.332 176.094 -0.099 0.000 1.047 282 V CA 2.429 64.660 62.300 -0.114 0.000 1.035 282 V CB -0.853 30.995 31.823 0.041 0.000 0.658 282 V HN 0.716 nan 8.190 nan 0.000 0.452 283 D N -0.073 120.271 120.400 -0.094 0.000 2.104 283 D HA -0.216 4.433 4.640 0.015 0.000 0.194 283 D C 1.991 178.208 176.300 -0.138 0.000 0.994 283 D CA 1.506 55.478 54.000 -0.048 0.000 0.830 283 D CB -0.147 40.712 40.800 0.100 0.000 0.959 283 D HN 0.269 nan 8.370 nan 0.000 0.452 284 L N 0.182 121.194 121.223 -0.352 0.000 2.046 284 L HA -0.073 4.276 4.340 0.015 0.000 0.208 284 L C 2.126 178.827 176.870 -0.281 0.000 1.077 284 L CA 1.496 56.014 54.840 -0.537 0.000 0.747 284 L CB -0.566 41.013 42.059 -0.800 0.000 0.896 284 L HN 0.216 nan 8.230 nan 0.000 0.432 285 L N -0.675 120.393 121.223 -0.257 0.000 2.042 285 L HA -0.236 4.113 4.340 0.015 0.000 0.210 285 L C 2.497 179.368 176.870 0.001 0.000 1.076 285 L CA 1.539 56.307 54.840 -0.120 0.000 0.749 285 L CB -0.677 41.274 42.059 -0.181 0.000 0.893 285 L HN 0.358 nan 8.230 nan 0.000 0.432 286 E N 0.068 120.158 120.200 -0.184 0.000 2.209 286 E HA -0.237 4.122 4.350 0.015 0.000 0.196 286 E C 2.014 178.499 176.600 -0.193 0.000 0.993 286 E CA 1.063 57.186 56.400 -0.463 0.000 0.819 286 E CB 0.026 29.402 29.700 -0.540 0.000 0.745 286 E HN 0.458 nan 8.360 nan 0.000 0.477 287 K N -0.425 119.912 120.400 -0.105 0.000 2.314 287 K HA 0.098 4.426 4.320 0.015 0.000 0.198 287 K C 1.892 178.504 176.600 0.020 0.000 1.045 287 K CA 0.454 56.725 56.287 -0.027 0.000 0.988 287 K CB 0.241 32.736 32.500 -0.008 0.000 0.783 287 K HN 0.089 nan 8.250 nan 0.000 0.484 288 M N 0.160 119.759 119.600 -0.001 0.000 2.357 288 M HA 0.045 4.534 4.480 0.015 0.000 0.266 288 M C 0.587 176.917 176.300 0.051 0.000 1.095 288 M CA 0.874 56.192 55.300 0.030 0.000 1.156 288 M CB 0.343 32.927 32.600 -0.026 0.000 1.365 288 M HN -0.042 nan 8.290 nan 0.000 0.447 289 L N 1.796 123.026 121.223 0.013 0.000 2.598 289 L HA 0.270 4.618 4.340 0.015 0.000 0.241 289 L C -0.928 176.113 176.870 0.286 0.000 1.244 289 L CA -0.606 54.193 54.840 -0.068 0.000 1.198 289 L CB -0.145 41.866 42.059 -0.080 0.000 1.448 289 L HN -0.063 nan 8.230 nan 0.000 0.406 290 V N 1.357 121.509 119.914 0.397 0.000 2.417 290 V HA 0.124 4.253 4.120 0.015 0.000 0.291 290 V C 0.936 177.313 176.094 0.470 0.000 1.024 290 V CA -0.519 61.989 62.300 0.346 0.000 0.861 290 V CB 2.439 34.384 31.823 0.203 0.000 0.985 290 V HN 0.415 nan 8.190 nan 0.000 0.436 291 L N 2.823 124.273 121.223 0.379 0.000 2.017 291 L HA -0.004 4.344 4.340 0.015 0.000 0.208 291 L C 1.308 178.299 176.870 0.202 0.000 1.073 291 L CA 1.714 56.714 54.840 0.265 0.000 0.745 291 L CB -0.306 41.891 42.059 0.230 0.000 0.894 291 L HN 0.786 nan 8.230 nan 0.000 0.432 292 D N -1.208 119.295 120.400 0.172 0.000 2.342 292 D HA -0.018 4.631 4.640 0.015 0.000 0.260 292 D C 1.422 177.808 176.300 0.142 0.000 1.278 292 D CA 0.727 54.807 54.000 0.133 0.000 0.910 292 D CB 1.062 41.915 40.800 0.089 0.000 1.079 292 D HN 0.346 nan 8.370 nan 0.000 0.496 293 S N 2.749 118.533 115.700 0.140 0.000 2.442 293 S HA -0.187 4.292 4.470 0.015 0.000 0.236 293 S C 1.217 175.884 174.600 0.111 0.000 1.007 293 S CA 0.624 58.907 58.200 0.139 0.000 0.965 293 S CB 0.053 63.330 63.200 0.128 0.000 0.773 293 S HN 0.410 nan 8.310 nan 0.000 0.504 294 D N 1.805 122.259 120.400 0.089 0.000 2.263 294 D HA 0.006 4.655 4.640 0.015 0.000 0.208 294 D C 1.585 177.928 176.300 0.072 0.000 0.971 294 D CA 0.992 55.033 54.000 0.069 0.000 0.867 294 D CB -0.067 40.765 40.800 0.053 0.000 0.929 294 D HN 0.604 nan 8.370 nan 0.000 0.492 295 K N -0.278 120.175 120.400 0.087 0.000 2.374 295 K HA 0.171 4.500 4.320 0.015 0.000 0.202 295 K C 0.505 177.162 176.600 0.095 0.000 1.040 295 K CA -0.277 56.058 56.287 0.081 0.000 1.085 295 K CB 1.129 33.674 32.500 0.075 0.000 0.873 295 K HN -0.049 nan 8.250 nan 0.000 0.539 296 R N 1.450 122.021 120.500 0.120 0.000 2.643 296 R HA 0.149 4.498 4.340 0.015 0.000 0.270 296 R C 0.342 176.708 176.300 0.110 0.000 1.061 296 R CA -0.198 55.983 56.100 0.135 0.000 1.107 296 R CB 0.590 30.998 30.300 0.179 0.000 0.999 296 R HN 0.101 nan 8.270 nan 0.000 0.460 297 I N 1.787 122.417 120.570 0.101 0.000 2.813 297 I HA -0.078 4.100 4.170 0.015 0.000 0.287 297 I C 0.766 176.948 176.117 0.108 0.000 1.196 297 I CA 0.460 61.818 61.300 0.097 0.000 1.421 297 I CB 0.801 38.855 38.000 0.090 0.000 1.365 297 I HN 0.722 nan 8.210 nan 0.000 0.591 298 T N 3.703 118.321 114.554 0.106 0.000 2.847 298 T HA 0.480 4.839 4.350 0.015 0.000 0.279 298 T C 1.054 175.827 174.700 0.121 0.000 0.984 298 T CA -0.194 61.978 62.100 0.120 0.000 0.988 298 T CB 1.573 70.504 68.868 0.105 0.000 1.040 298 T HN 0.717 nan 8.240 nan 0.000 0.528 299 A N 0.972 123.876 122.820 0.140 0.000 1.883 299 A HA 0.156 4.485 4.320 0.015 0.000 0.217 299 A C 2.646 180.259 177.584 0.049 0.000 1.186 299 A CA 1.945 54.022 52.037 0.067 0.000 0.624 299 A CB -1.598 17.411 19.000 0.015 0.000 0.822 299 A HN 1.260 nan 8.150 nan 0.000 0.444 300 A N -0.764 122.100 122.820 0.074 0.000 1.902 300 A HA -0.211 4.118 4.320 0.015 0.000 0.217 300 A C 2.106 179.740 177.584 0.083 0.000 1.181 300 A CA 1.757 53.840 52.037 0.076 0.000 0.623 300 A CB -0.564 18.487 19.000 0.085 0.000 0.818 300 A HN 0.651 nan 8.150 nan 0.000 0.443 301 Q N -0.604 119.250 119.800 0.091 0.000 2.119 301 Q HA 0.002 4.351 4.340 0.015 0.000 0.201 301 Q C 2.321 178.399 176.000 0.129 0.000 0.972 301 Q CA 1.329 57.192 55.803 0.100 0.000 0.847 301 Q CB -0.380 28.419 28.738 0.101 0.000 0.903 301 Q HN 0.678 nan 8.270 nan 0.000 0.433 302 A N 0.666 123.570 122.820 0.139 0.000 1.969 302 A HA -0.117 4.211 4.320 0.015 0.000 0.218 302 A C 1.994 179.764 177.584 0.309 0.000 1.169 302 A CA 0.890 53.064 52.037 0.229 0.000 0.635 302 A CB -0.544 18.571 19.000 0.191 0.000 0.810 302 A HN 0.306 nan 8.150 nan 0.000 0.445 303 L N -0.964 120.322 121.223 0.105 0.000 2.191 303 L HA -0.162 4.187 4.340 0.015 0.000 0.212 303 L C 2.706 179.465 176.870 -0.184 0.000 1.103 303 L CA 0.909 55.764 54.840 0.025 0.000 0.769 303 L CB -0.290 41.784 42.059 0.026 0.000 0.908 303 L HN 0.443 nan 8.230 nan 0.000 0.438 304 A N -2.271 120.443 122.820 -0.178 0.000 2.251 304 A HA -0.057 4.272 4.320 0.015 0.000 0.209 304 A C 0.953 178.539 177.584 0.005 0.000 1.187 304 A CA -0.072 51.790 52.037 -0.291 0.000 0.823 304 A CB -0.567 18.388 19.000 -0.074 0.000 0.846 304 A HN 0.316 nan 8.150 nan 0.000 0.486 305 H N -0.069 119.058 119.070 0.097 0.000 2.732 305 H HA 0.362 4.927 4.556 0.014 0.000 0.351 305 H C 1.389 176.770 175.328 0.088 0.000 1.090 305 H CA 0.396 56.508 56.048 0.106 0.000 1.431 305 H CB 1.311 31.160 29.762 0.144 0.000 1.447 305 H HN 0.134 nan 8.280 nan 0.000 0.582 306 A N 5.062 127.729 122.820 -0.254 0.000 2.032 306 A HA -0.264 4.065 4.320 0.015 0.000 0.221 306 A C 1.933 179.561 177.584 0.073 0.000 1.165 306 A CA 1.311 53.304 52.037 -0.074 0.000 0.645 306 A CB -0.940 17.970 19.000 -0.150 0.000 0.807 306 A HN 0.847 nan 8.150 nan 0.000 0.453 307 Y N -0.336 119.998 120.300 0.057 0.000 2.241 307 Y HA -0.212 4.347 4.550 0.015 0.000 0.286 307 Y C 1.015 176.750 175.900 -0.276 0.000 1.166 307 Y CA 1.359 59.341 58.100 -0.197 0.000 1.203 307 Y CB -0.417 37.749 38.460 -0.490 0.000 0.977 307 Y HN 0.327 nan 8.280 nan 0.000 0.529 308 F N -0.905 119.148 119.950 0.173 0.000 2.645 308 F HA 0.372 4.908 4.527 0.015 0.000 0.300 308 F C 2.000 177.845 175.800 0.075 0.000 1.115 308 F CA 0.065 58.139 58.000 0.123 0.000 1.355 308 F CB -1.017 38.157 39.000 0.290 0.000 1.026 308 F HN 0.062 nan 8.300 nan 0.000 0.536 309 A N 0.016 122.907 122.820 0.119 0.000 1.948 309 A HA -0.268 4.060 4.320 0.015 0.000 0.220 309 A C 2.291 179.855 177.584 -0.033 0.000 1.177 309 A CA 1.878 53.958 52.037 0.072 0.000 0.636 309 A CB -0.602 18.407 19.000 0.016 0.000 0.815 309 A HN 0.472 nan 8.150 nan 0.000 0.449 310 Q N -2.384 117.309 119.800 -0.179 0.000 2.369 310 Q HA -0.132 4.217 4.340 0.015 0.000 0.206 310 Q C 1.021 176.634 176.000 -0.644 0.000 0.963 310 Q CA 1.309 56.851 55.803 -0.435 0.000 0.894 310 Q CB -0.004 28.384 28.738 -0.583 0.000 0.965 310 Q HN 0.807 nan 8.270 nan 0.000 0.475 311 Y N -1.920 118.285 120.300 -0.158 0.000 2.535 311 Y HA 0.132 4.690 4.550 0.014 0.000 0.264 311 Y C 0.454 176.125 175.900 -0.383 0.000 1.087 311 Y CA -0.334 57.515 58.100 -0.417 0.000 1.285 311 Y CB -0.002 37.930 38.460 -0.879 0.000 1.200 311 Y HN 0.145 nan 8.280 nan 0.000 0.514 312 H N 1.762 120.791 119.070 -0.069 0.000 2.929 312 H HA 0.255 4.820 4.556 0.015 0.000 0.317 312 H C -1.016 174.382 175.328 0.117 0.000 1.031 312 H CA 0.041 56.181 56.048 0.153 0.000 1.466 312 H CB 0.353 30.259 29.762 0.239 0.000 1.482 312 H HN 0.049 nan 8.280 nan 0.000 0.561 313 D N 6.546 126.867 120.400 -0.132 0.000 2.479 313 D HA 0.157 4.806 4.640 0.015 0.000 0.246 313 D C -2.247 173.924 176.300 -0.215 0.000 1.336 313 D CA -2.084 51.780 54.000 -0.228 0.000 0.967 313 D CB 1.741 42.521 40.800 -0.033 0.000 1.275 313 D HN 0.369 nan 8.370 nan 0.000 0.577 314 P HA 0.011 nan 4.420 nan 0.000 0.230 314 P C 0.281 177.583 177.300 0.002 0.000 1.158 314 P CA 0.493 63.535 63.100 -0.098 0.000 0.769 314 P CB 0.567 32.235 31.700 -0.053 0.000 0.807 315 D N -0.403 119.988 120.400 -0.015 0.000 2.340 315 D HA -0.022 4.627 4.640 0.015 0.000 0.220 315 D C 0.435 176.755 176.300 0.034 0.000 1.039 315 D CA 0.781 54.791 54.000 0.016 0.000 0.866 315 D CB -0.065 40.737 40.800 0.005 0.000 0.913 315 D HN 0.199 nan 8.370 nan 0.000 0.523 316 D N 0.353 120.783 120.400 0.050 0.000 2.760 316 D HA 0.043 4.691 4.640 0.015 0.000 0.314 316 D C -0.712 175.654 176.300 0.110 0.000 1.464 316 D CA -0.137 53.903 54.000 0.066 0.000 0.797 316 D CB 0.135 40.974 40.800 0.064 0.000 1.149 316 D HN -0.108 nan 8.370 nan 0.000 0.455 317 E N 1.621 121.896 120.200 0.125 0.000 3.037 317 E HA 0.273 4.632 4.350 0.015 0.000 0.220 317 E C -2.377 174.331 176.600 0.180 0.000 1.142 317 E CA -1.654 54.845 56.400 0.164 0.000 0.888 317 E CB 1.534 31.340 29.700 0.177 0.000 1.329 317 E HN 0.220 nan 8.360 nan 0.000 0.409 318 P HA 0.072 nan 4.420 nan 0.000 0.276 318 P C 0.008 177.495 177.300 0.312 0.000 1.244 318 P CA -0.460 62.782 63.100 0.237 0.000 0.801 318 P CB 0.983 32.818 31.700 0.225 0.000 1.006 319 V N -1.809 118.237 119.914 0.220 0.000 3.234 319 V HA 0.862 4.991 4.120 0.015 0.000 0.317 319 V C 0.055 176.201 176.094 0.086 0.000 1.081 319 V CA -1.170 61.204 62.300 0.124 0.000 1.037 319 V CB 0.657 32.511 31.823 0.051 0.000 1.148 319 V HN 0.694 nan 8.190 nan 0.000 0.453 320 A N 0.506 123.170 122.820 -0.259 0.000 2.279 320 A HA 0.577 4.906 4.320 0.015 0.000 0.303 320 A C -0.108 177.465 177.584 -0.019 0.000 1.108 320 A CA -0.576 51.233 52.037 -0.380 0.000 0.830 320 A CB 0.071 18.584 19.000 -0.810 0.000 1.106 320 A HN 0.958 nan 8.150 nan 0.000 0.493 321 D N 1.212 121.655 120.400 0.072 0.000 2.419 321 D HA 0.269 4.918 4.640 0.015 0.000 0.236 321 D C -2.236 174.234 176.300 0.285 0.000 1.165 321 D CA -0.418 53.675 54.000 0.156 0.000 0.882 321 D CB -0.041 40.831 40.800 0.120 0.000 1.201 321 D HN 0.180 nan 8.370 nan 0.000 0.443 322 P HA -0.055 nan 4.420 nan 0.000 0.263 322 P C -0.806 176.614 177.300 0.199 0.000 1.175 322 P CA 0.383 63.577 63.100 0.156 0.000 0.761 322 P CB 0.078 31.841 31.700 0.105 0.000 0.794 323 Y N 2.952 123.183 120.300 -0.115 0.000 2.338 323 Y HA 0.285 4.842 4.550 0.013 0.000 0.328 323 Y C -0.451 175.381 175.900 -0.114 0.000 0.965 323 Y CA -1.314 56.593 58.100 -0.323 0.000 1.208 323 Y CB 0.832 38.946 38.460 -0.577 0.000 1.132 323 Y HN 0.242 nan 8.280 nan 0.000 0.469 324 D N 5.713 125.880 120.400 -0.387 0.000 2.352 324 D HA 0.068 4.717 4.640 0.015 0.000 0.245 324 D C -0.216 175.824 176.300 -0.433 0.000 1.224 324 D CA 0.095 53.922 54.000 -0.288 0.000 0.879 324 D CB 0.809 41.554 40.800 -0.092 0.000 1.057 324 D HN 0.825 nan 8.370 nan 0.000 0.491 325 Q N 1.641 121.213 119.800 -0.380 0.000 2.211 325 Q HA 0.126 4.475 4.340 0.015 0.000 0.301 325 Q C 0.743 176.529 176.000 -0.357 0.000 0.884 325 Q CA -0.422 55.150 55.803 -0.384 0.000 1.115 325 Q CB 0.189 28.661 28.738 -0.444 0.000 1.217 325 Q HN 0.288 nan 8.270 nan 0.000 0.451 326 S N 0.464 116.095 115.700 -0.115 0.000 2.447 326 S HA -0.175 4.303 4.470 0.015 0.000 0.233 326 S C 1.638 176.230 174.600 -0.014 0.000 1.006 326 S CA 0.618 58.775 58.200 -0.071 0.000 0.957 326 S CB -0.890 62.306 63.200 -0.007 0.000 0.773 326 S HN 0.642 nan 8.310 nan 0.000 0.507 327 F N 2.187 122.197 119.950 0.099 0.000 2.307 327 F HA 0.096 4.632 4.527 0.013 0.000 0.301 327 F C 2.012 177.994 175.800 0.304 0.000 1.076 327 F CA 0.954 59.098 58.000 0.241 0.000 1.383 327 F CB -0.747 38.527 39.000 0.456 0.000 1.055 327 F HN 0.065 nan 8.300 nan 0.000 0.526 328 E N 1.126 120.925 120.200 -0.668 0.000 2.160 328 E HA -0.173 4.186 4.350 0.015 0.000 0.195 328 E C 2.048 178.599 176.600 -0.080 0.000 0.991 328 E CA 1.597 57.742 56.400 -0.425 0.000 0.810 328 E CB -0.463 28.924 29.700 -0.523 0.000 0.742 328 E HN 0.648 nan 8.360 nan 0.000 0.466 329 S N 0.152 115.823 115.700 -0.049 0.000 2.597 329 S HA 0.200 4.679 4.470 0.015 0.000 0.224 329 S C 0.738 175.379 174.600 0.067 0.000 0.955 329 S CA -0.489 57.715 58.200 0.007 0.000 0.933 329 S CB 0.248 63.426 63.200 -0.037 0.000 0.788 329 S HN -0.095 nan 8.310 nan 0.000 0.488 330 R N 2.531 123.121 120.500 0.150 0.000 2.308 330 R HA 0.350 4.699 4.340 0.015 0.000 0.305 330 R C -1.022 175.355 176.300 0.128 0.000 1.053 330 R CA -0.263 55.893 56.100 0.093 0.000 0.957 330 R CB 0.426 30.752 30.300 0.044 0.000 1.022 330 R HN 0.148 nan 8.270 nan 0.000 0.461 331 D N 4.550 124.970 120.400 0.033 0.000 2.441 331 D HA 0.230 4.879 4.640 0.015 0.000 0.221 331 D C -0.904 175.357 176.300 -0.064 0.000 1.156 331 D CA -0.080 53.950 54.000 0.049 0.000 0.896 331 D CB 0.125 40.943 40.800 0.029 0.000 1.028 331 D HN 0.362 nan 8.370 nan 0.000 0.509 332 L N 2.566 123.729 121.223 -0.099 0.000 2.301 332 L HA 0.525 4.874 4.340 0.015 0.000 0.264 332 L C 0.096 176.878 176.870 -0.146 0.000 1.016 332 L CA -1.288 53.316 54.840 -0.392 0.000 0.821 332 L CB 1.650 42.963 42.059 -1.243 0.000 1.346 332 L HN 0.179 nan 8.230 nan 0.000 0.429 333 L N 0.884 122.016 121.223 -0.152 0.000 2.454 333 L HA 0.332 4.681 4.340 0.015 0.000 0.256 333 L C 1.269 178.195 176.870 0.094 0.000 1.136 333 L CA -0.430 54.414 54.840 0.006 0.000 0.804 333 L CB 1.096 43.138 42.059 -0.027 0.000 1.181 333 L HN 0.574 nan 8.230 nan 0.000 0.469 334 I N 0.381 121.052 120.570 0.168 0.000 2.151 334 I HA -0.294 3.885 4.170 0.015 0.000 0.243 334 I C 1.591 177.787 176.117 0.132 0.000 1.080 334 I CA 1.419 62.860 61.300 0.235 0.000 1.339 334 I CB -0.130 37.972 38.000 0.171 0.000 1.039 334 I HN 0.733 nan 8.210 nan 0.000 0.409 335 D N 0.327 120.738 120.400 0.018 0.000 2.269 335 D HA -0.125 4.524 4.640 0.015 0.000 0.208 335 D C 2.079 178.333 176.300 -0.075 0.000 0.963 335 D CA 0.869 54.837 54.000 -0.054 0.000 0.864 335 D CB -0.006 40.756 40.800 -0.063 0.000 0.936 335 D HN 0.444 nan 8.370 nan 0.000 0.505 336 E N -0.822 119.313 120.200 -0.107 0.000 2.076 336 E HA -0.099 4.260 4.350 0.015 0.000 0.190 336 E C 1.953 178.422 176.600 -0.217 0.000 0.979 336 E CA 0.403 56.677 56.400 -0.210 0.000 0.807 336 E CB -0.096 29.402 29.700 -0.337 0.000 0.761 336 E HN 0.384 nan 8.360 nan 0.000 0.454 337 W N 1.872 123.131 121.300 -0.069 0.000 2.363 337 W HA -0.136 4.532 4.660 0.014 0.000 0.296 337 W C 2.478 178.998 176.519 0.002 0.000 1.212 337 W CA 0.803 58.106 57.345 -0.068 0.000 1.260 337 W CB 0.090 29.584 29.460 0.058 0.000 1.131 337 W HN -0.003 nan 8.180 nan 0.000 0.530 338 K N 0.051 120.538 120.400 0.146 0.000 2.057 338 K HA -0.193 4.136 4.320 0.015 0.000 0.206 338 K C 2.295 178.923 176.600 0.045 0.000 1.050 338 K CA 1.730 57.889 56.287 -0.213 0.000 0.935 338 K CB -0.470 31.600 32.500 -0.717 0.000 0.715 338 K HN -0.035 nan 8.250 nan 0.000 0.439 339 S N 0.492 116.203 115.700 0.019 0.000 2.383 339 S HA -0.034 4.445 4.470 0.015 0.000 0.227 339 S C 1.904 176.580 174.600 0.127 0.000 1.026 339 S CA 0.780 59.019 58.200 0.066 0.000 0.981 339 S CB -0.206 62.984 63.200 -0.015 0.000 0.818 339 S HN 0.360 nan 8.310 nan 0.000 0.472 340 L N 0.737 121.994 121.223 0.057 0.000 2.083 340 L HA -0.104 4.245 4.340 0.015 0.000 0.209 340 L C 2.708 179.766 176.870 0.314 0.000 1.083 340 L CA 1.575 56.451 54.840 0.059 0.000 0.752 340 L CB -0.915 40.967 42.059 -0.296 0.000 0.899 340 L HN 0.354 nan 8.230 nan 0.000 0.433 341 T N -1.561 113.259 114.554 0.443 0.000 2.777 341 T HA -0.232 4.126 4.350 0.015 0.000 0.266 341 T C 1.669 176.624 174.700 0.424 0.000 1.040 341 T CA 1.159 63.629 62.100 0.616 0.000 1.141 341 T CB -0.337 69.019 68.868 0.813 0.000 0.868 341 T HN 0.275 nan 8.240 nan 0.000 0.444 342 Y N 2.445 122.845 120.300 0.167 0.000 2.165 342 Y HA -0.202 4.357 4.550 0.015 0.000 0.286 342 Y C 2.035 177.852 175.900 -0.138 0.000 1.155 342 Y CA 1.473 59.382 58.100 -0.318 0.000 1.164 342 Y CB -0.457 37.728 38.460 -0.459 0.000 0.978 342 Y HN 0.147 nan 8.280 nan 0.000 0.513 343 D N -0.140 120.268 120.400 0.013 0.000 2.144 343 D HA -0.155 4.494 4.640 0.015 0.000 0.199 343 D C 2.016 178.301 176.300 -0.027 0.000 0.984 343 D CA 1.369 55.341 54.000 -0.047 0.000 0.834 343 D CB -0.141 40.694 40.800 0.058 0.000 0.955 343 D HN 0.475 nan 8.370 nan 0.000 0.465 344 E N 0.334 120.579 120.200 0.076 0.000 2.150 344 E HA -0.070 4.289 4.350 0.015 0.000 0.193 344 E C 2.400 179.039 176.600 0.066 0.000 0.985 344 E CA 0.227 56.686 56.400 0.098 0.000 0.814 344 E CB -0.025 29.758 29.700 0.138 0.000 0.752 344 E HN 0.177 nan 8.360 nan 0.000 0.466 345 V N 2.430 122.343 119.914 -0.003 0.000 2.270 345 V HA -0.238 3.890 4.120 0.015 0.000 0.245 345 V C 2.584 178.644 176.094 -0.057 0.000 1.043 345 V CA 1.899 64.181 62.300 -0.029 0.000 1.014 345 V CB -0.702 31.066 31.823 -0.092 0.000 0.645 345 V HN 0.329 nan 8.190 nan 0.000 0.447 346 I N 0.355 120.774 120.570 -0.252 0.000 2.493 346 I HA -0.101 4.078 4.170 0.015 0.000 0.254 346 I C 2.291 178.375 176.117 -0.055 0.000 1.160 346 I CA 1.822 62.995 61.300 -0.212 0.000 1.445 346 I CB -0.582 37.162 38.000 -0.427 0.000 1.086 346 I HN 0.371 nan 8.210 nan 0.000 0.433 347 S N 0.481 116.171 115.700 -0.017 0.000 2.603 347 S HA 0.027 4.506 4.470 0.015 0.000 0.220 347 S C 0.699 175.343 174.600 0.073 0.000 0.967 347 S CA -0.512 57.703 58.200 0.025 0.000 0.920 347 S CB -0.983 62.232 63.200 0.024 0.000 0.773 347 S HN 0.457 nan 8.310 nan 0.000 0.529 348 F N 2.858 122.802 119.950 -0.010 0.000 2.608 348 F HA 0.398 4.935 4.527 0.016 0.000 0.380 348 F C -0.340 175.469 175.800 0.015 0.000 1.083 348 F CA -0.316 57.692 58.000 0.012 0.000 1.266 348 F CB 0.602 39.618 39.000 0.027 0.000 1.076 348 F HN -0.066 nan 8.300 nan 0.000 0.574 349 V N 8.323 127.663 119.914 -0.957 0.000 2.487 349 V HA 0.357 4.485 4.120 0.015 0.000 0.298 349 V C -1.976 173.414 176.094 -1.173 0.000 1.028 349 V CA -1.677 60.181 62.300 -0.737 0.000 0.860 349 V CB 1.574 33.182 31.823 -0.359 0.000 0.991 349 V HN 0.691 nan 8.190 nan 0.000 0.427 350 P HA 0.281 nan 4.420 nan 0.000 0.272 350 P C -2.633 174.557 177.300 -0.185 0.000 1.223 350 P CA -1.147 61.767 63.100 -0.311 0.000 0.784 350 P CB -0.029 31.706 31.700 0.059 0.000 0.923 351 P HA 0.245 nan 4.420 nan 0.000 0.272 351 P C -2.075 175.213 177.300 -0.020 0.000 1.223 351 P CA -1.087 61.995 63.100 -0.029 0.000 0.784 351 P CB -0.874 30.846 31.700 0.034 0.000 0.923 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 352 P CB 0.000 31.688 31.700 -0.020 0.000 0.726