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 3oit_1_A DATA FIRST_RESID 17 DATA SEQUENCE MRRSQRADGL AAVLAIGTAN PPNCVTQEEI PDFYFRVTNS DHLTALKDKF DATA SEQUENCE KRICQEMGVQ RRYLHHTEEM LSAHPEFVDR DAPSLDARLD IAADAVPELA DATA SEQUENCE AEAAKKAIAE WGRPAADITH LVVTTNSGAH VPGVDFRLVP LLGLRPSVRR DATA SEQUENCE TMLHLNGCFA GCAALRLAKD LAENSRGARV LVVAAELTLM YFTGPDEGCF DATA SEQUENCE RTLLVQGLFG DGAAAVIVGA DADDVERPLF EIVSAAQTII PESDHALNMR DATA SEQUENCE FTERRLDGVL GRQVPGLIGD NVERCLLDMF GPLLXXXXXX GWNDLFWAVH DATA SEQUENCE PGSSTIMDQV DAALGLEPGK LAASRRVLSD YGNMSGATVI FALDELRRQX DATA SEQUENCE XXXXXXXXXP ELGVMMAFGP GMTVDAMLLH ATS 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 17 M HA 0.000 nan 4.480 nan 0.000 0.227 17 M C 0.000 176.304 176.300 0.006 0.000 1.140 17 M CA 0.000 55.303 55.300 0.006 0.000 0.988 17 M CB 0.000 32.604 32.600 0.006 0.000 1.302 18 R N 1.639 122.143 120.500 0.006 0.000 2.490 18 R HA 0.518 4.882 4.340 0.040 0.000 0.278 18 R C -0.242 176.063 176.300 0.008 0.000 1.069 18 R CA -0.631 55.473 56.100 0.007 0.000 1.080 18 R CB 0.501 30.805 30.300 0.006 0.000 1.030 18 R HN 0.669 nan 8.270 nan 0.000 0.491 19 R N 0.849 121.354 120.500 0.008 0.000 2.465 19 R HA -0.108 4.255 4.340 0.040 0.000 0.273 19 R C 0.098 176.405 176.300 0.012 0.000 0.952 19 R CA 0.995 57.101 56.100 0.010 0.000 1.103 19 R CB 0.233 30.538 30.300 0.009 0.000 0.861 19 R HN 0.925 nan 8.270 nan 0.000 0.425 20 S N 2.599 118.308 115.700 0.015 0.000 2.596 20 S HA 0.000 4.494 4.470 0.040 0.000 0.260 20 S C 0.001 174.612 174.600 0.017 0.000 1.336 20 S CA -0.635 57.575 58.200 0.018 0.000 0.993 20 S CB 0.800 64.014 63.200 0.024 0.000 0.923 20 S HN 0.555 nan 8.310 nan 0.000 0.567 21 Q N 1.056 120.867 119.800 0.019 0.000 2.311 21 Q HA 0.283 4.647 4.340 0.040 0.000 0.272 21 Q C 0.431 176.443 176.000 0.020 0.000 1.012 21 Q CA 0.107 55.921 55.803 0.018 0.000 0.891 21 Q CB 0.544 29.293 28.738 0.019 0.000 1.201 21 Q HN 0.716 nan 8.270 nan 0.000 0.391 22 R N 1.062 121.572 120.500 0.016 0.000 2.856 22 R HA 0.825 5.189 4.340 0.040 0.000 0.258 22 R C -0.883 175.424 176.300 0.013 0.000 1.066 22 R CA -0.868 55.240 56.100 0.013 0.000 1.045 22 R CB 0.916 31.220 30.300 0.008 0.000 1.178 22 R HN 0.510 nan 8.270 nan 0.000 0.499 23 A N 0.586 123.412 122.820 0.009 0.000 2.366 23 A HA 0.056 4.400 4.320 0.040 0.000 0.249 23 A C 0.055 177.644 177.584 0.009 0.000 1.084 23 A CA -0.022 52.022 52.037 0.010 0.000 0.794 23 A CB 0.393 19.396 19.000 0.006 0.000 1.034 23 A HN 0.954 nan 8.150 nan 0.000 0.491 24 D N 0.683 121.089 120.400 0.011 0.000 2.214 24 D HA 0.144 4.807 4.640 0.040 0.000 0.217 24 D C 1.222 177.527 176.300 0.008 0.000 0.973 24 D CA 1.535 55.541 54.000 0.009 0.000 0.880 24 D CB -0.397 40.409 40.800 0.011 0.000 1.031 24 D HN 0.659 nan 8.370 nan 0.000 0.468 25 G N -0.048 108.759 108.800 0.012 0.000 2.535 25 G HA2 0.469 4.453 3.960 0.040 0.000 0.282 25 G HA3 0.469 4.453 3.960 0.040 0.000 0.282 25 G C -0.181 174.727 174.900 0.012 0.000 1.350 25 G CA -0.598 44.510 45.100 0.013 0.000 1.039 25 G HN 0.242 nan 8.290 nan 0.000 0.509 26 L N 0.298 121.532 121.223 0.018 0.000 2.436 26 L HA 0.432 4.796 4.340 0.040 0.000 0.265 26 L C 1.228 178.111 176.870 0.020 0.000 1.168 26 L CA -0.666 54.186 54.840 0.019 0.000 0.815 26 L CB 0.820 42.896 42.059 0.029 0.000 1.109 26 L HN 0.575 nan 8.230 nan 0.000 0.462 27 A N 1.947 124.774 122.820 0.011 0.000 2.540 27 A HA 0.520 4.864 4.320 0.040 0.000 0.239 27 A C 0.083 177.682 177.584 0.025 0.000 1.061 27 A CA 0.226 52.265 52.037 0.003 0.000 0.758 27 A CB 0.020 19.011 19.000 -0.014 0.000 0.991 27 A HN 0.798 nan 8.150 nan 0.000 0.502 28 A N 2.083 124.916 122.820 0.021 0.000 2.401 28 A HA 0.622 4.966 4.320 0.040 0.000 0.310 28 A C -0.436 177.166 177.584 0.029 0.000 1.075 28 A CA -0.555 51.510 52.037 0.046 0.000 0.746 28 A CB 1.193 20.221 19.000 0.047 0.000 1.277 28 A HN 1.124 nan 8.150 nan 0.000 0.425 29 V N 3.039 123.000 119.914 0.079 0.000 2.446 29 V HA 0.063 4.207 4.120 0.040 0.000 0.276 29 V C 0.902 177.020 176.094 0.040 0.000 1.030 29 V CA 0.503 62.845 62.300 0.070 0.000 1.033 29 V CB 0.225 32.164 31.823 0.193 0.000 0.993 29 V HN 0.804 nan 8.190 nan 0.000 0.477 30 L N 4.087 125.295 121.223 -0.025 0.000 2.515 30 L HA 0.557 4.921 4.340 0.040 0.000 0.223 30 L C 0.807 177.689 176.870 0.020 0.000 1.079 30 L CA 0.603 55.441 54.840 -0.004 0.000 0.857 30 L CB 0.269 42.309 42.059 -0.032 0.000 1.050 30 L HN 0.749 nan 8.230 nan 0.000 0.476 31 A N 0.354 123.160 122.820 -0.024 0.000 2.605 31 A HA 0.737 5.081 4.320 0.040 0.000 0.294 31 A C -1.482 176.085 177.584 -0.028 0.000 1.062 31 A CA -0.366 51.672 52.037 0.002 0.000 0.682 31 A CB 1.299 20.326 19.000 0.046 0.000 1.278 31 A HN 0.018 nan 8.150 nan 0.000 0.410 32 I N 0.954 121.510 120.570 -0.024 0.000 2.533 32 I HA 0.654 4.848 4.170 0.040 0.000 0.290 32 I C 0.412 176.474 176.117 -0.091 0.000 1.056 32 I CA -0.568 60.692 61.300 -0.067 0.000 1.057 32 I CB 2.589 40.551 38.000 -0.064 0.000 1.240 32 I HN 0.855 nan 8.210 nan 0.000 0.423 33 G N 2.608 111.332 108.800 -0.127 0.000 2.571 33 G HA2 0.789 4.772 3.960 0.040 0.000 0.304 33 G HA3 0.789 4.772 3.960 0.040 0.000 0.304 33 G C -0.919 173.836 174.900 -0.242 0.000 1.314 33 G CA -0.506 44.508 45.100 -0.143 0.000 0.975 33 G HN 0.598 nan 8.290 nan 0.000 0.485 34 T N -2.238 112.144 114.554 -0.287 0.000 2.883 34 T HA 0.882 5.255 4.350 0.040 0.000 0.296 34 T C -0.531 174.051 174.700 -0.197 0.000 1.117 34 T CA -0.360 61.480 62.100 -0.433 0.000 1.006 34 T CB 2.066 70.274 68.868 -1.101 0.000 1.191 34 T HN 1.959 nan 8.240 nan 0.000 0.508 35 A N 1.407 124.179 122.820 -0.080 0.000 2.574 35 A HA 0.840 5.183 4.320 0.040 0.000 0.297 35 A C -1.442 176.187 177.584 0.075 0.000 1.062 35 A CA -1.075 50.962 52.037 0.001 0.000 0.686 35 A CB 1.338 20.337 19.000 -0.003 0.000 1.285 35 A HN 0.935 nan 8.150 nan 0.000 0.403 36 N N 0.757 119.458 118.700 0.002 0.000 2.329 36 N HA 0.713 5.477 4.740 0.040 0.000 0.282 36 N C -3.111 172.412 175.510 0.022 0.000 1.198 36 N CA -1.268 51.774 53.050 -0.014 0.000 0.790 36 N CB 1.925 40.253 38.487 -0.266 0.000 1.579 36 N HN 0.389 nan 8.380 nan 0.000 0.475 37 P HA 0.102 nan 4.420 nan 0.000 0.270 37 P C -1.729 175.672 177.300 0.169 0.000 1.223 37 P CA -0.862 62.344 63.100 0.176 0.000 0.785 37 P CB 0.335 32.184 31.700 0.248 0.000 0.923 38 P HA -0.089 nan 4.420 nan 0.000 0.222 38 P C 0.265 177.662 177.300 0.161 0.000 1.153 38 P CA 1.032 64.213 63.100 0.134 0.000 0.798 38 P CB -0.040 31.709 31.700 0.081 0.000 0.796 39 N N 0.777 119.536 118.700 0.097 0.000 2.410 39 N HA -0.008 4.756 4.740 0.040 0.000 0.281 39 N C -0.954 174.535 175.510 -0.035 0.000 1.241 39 N CA -0.114 52.933 53.050 -0.004 0.000 0.998 39 N CB -1.041 37.383 38.487 -0.105 0.000 1.376 39 N HN -0.011 nan 8.380 nan 0.000 0.490 40 C N 4.327 123.590 119.300 -0.062 0.000 2.369 40 C HA 0.610 5.094 4.460 0.040 0.000 0.358 40 C C -0.371 174.442 174.990 -0.295 0.000 1.274 40 C CA -0.448 58.390 59.018 -0.301 0.000 1.935 40 C CB -0.825 26.762 27.740 -0.255 0.000 2.431 40 C HN 0.471 nan 8.230 nan 0.000 0.545 41 V N 6.679 126.380 119.914 -0.354 0.000 2.443 41 V HA 0.412 4.556 4.120 0.040 0.000 0.293 41 V C 0.550 176.515 176.094 -0.215 0.000 1.021 41 V CA -0.429 61.712 62.300 -0.265 0.000 0.848 41 V CB 1.683 33.319 31.823 -0.311 0.000 0.998 41 V HN 0.976 nan 8.190 nan 0.000 0.424 42 T N 1.314 115.775 114.554 -0.155 0.000 2.860 42 T HA 0.134 4.508 4.350 0.040 0.000 0.299 42 T C 0.987 175.636 174.700 -0.084 0.000 1.045 42 T CA -0.264 61.762 62.100 -0.124 0.000 1.071 42 T CB 1.137 69.949 68.868 -0.093 0.000 0.985 42 T HN 0.502 nan 8.240 nan 0.000 0.537 43 Q N 0.848 120.596 119.800 -0.085 0.000 2.135 43 Q HA -0.143 4.221 4.340 0.040 0.000 0.204 43 Q C 2.183 178.138 176.000 -0.075 0.000 0.981 43 Q CA 1.928 57.681 55.803 -0.083 0.000 0.856 43 Q CB -0.314 28.366 28.738 -0.098 0.000 0.902 43 Q HN 0.881 nan 8.270 nan 0.000 0.425 44 E N 0.168 120.331 120.200 -0.061 0.000 2.150 44 E HA -0.165 4.209 4.350 0.040 0.000 0.193 44 E C 1.600 178.196 176.600 -0.007 0.000 0.985 44 E CA 0.859 57.232 56.400 -0.045 0.000 0.814 44 E CB 0.039 29.715 29.700 -0.040 0.000 0.752 44 E HN 0.482 nan 8.360 nan 0.000 0.466 45 E N 0.232 120.438 120.200 0.009 0.000 2.385 45 E HA -0.023 4.350 4.350 0.040 0.000 0.194 45 E C 1.925 178.620 176.600 0.160 0.000 1.013 45 E CA -0.094 56.344 56.400 0.064 0.000 0.866 45 E CB 0.254 29.972 29.700 0.030 0.000 0.832 45 E HN 0.158 nan 8.360 nan 0.000 0.500 46 I N 1.668 122.325 120.570 0.145 0.000 2.163 46 I HA -0.176 4.017 4.170 0.040 0.000 0.243 46 I C -0.680 175.754 176.117 0.528 0.000 1.085 46 I CA 1.502 62.987 61.300 0.308 0.000 1.347 46 I CB -1.753 36.368 38.000 0.201 0.000 1.044 46 I HN 0.028 nan 8.210 nan 0.000 0.408 47 P HA -0.132 nan 4.420 nan 0.000 0.215 47 P C 1.202 178.813 177.300 0.518 0.000 1.153 47 P CA 1.454 64.910 63.100 0.594 0.000 0.853 47 P CB 0.014 31.843 31.700 0.215 0.000 0.788 48 D N -1.773 118.822 120.400 0.325 0.000 2.117 48 D HA -0.143 4.520 4.640 0.040 0.000 0.198 48 D C 1.681 178.177 176.300 0.327 0.000 0.982 48 D CA 0.897 55.057 54.000 0.266 0.000 0.828 48 D CB -0.853 40.054 40.800 0.178 0.000 0.967 48 D HN 0.111 nan 8.370 nan 0.000 0.464 49 F N 0.387 120.484 119.950 0.245 0.000 2.075 49 F HA -0.243 4.310 4.527 0.042 0.000 0.297 49 F C 2.314 178.297 175.800 0.305 0.000 1.113 49 F CA 1.186 59.327 58.000 0.234 0.000 1.218 49 F CB -0.685 38.443 39.000 0.213 0.000 0.984 49 F HN -0.056 nan 8.300 nan 0.000 0.472 50 Y N -0.142 120.291 120.300 0.221 0.000 2.145 50 Y HA -0.226 4.349 4.550 0.042 0.000 0.286 50 Y C 2.044 177.874 175.900 -0.117 0.000 1.145 50 Y CA 1.963 60.083 58.100 0.033 0.000 1.148 50 Y CB -0.974 37.585 38.460 0.166 0.000 0.981 50 Y HN 0.111 nan 8.280 nan 0.000 0.507 51 F N 0.041 119.939 119.950 -0.087 0.000 2.234 51 F HA -0.072 4.478 4.527 0.038 0.000 0.299 51 F C 2.696 178.388 175.800 -0.180 0.000 1.087 51 F CA 1.701 59.585 58.000 -0.193 0.000 1.340 51 F CB -0.496 38.481 39.000 -0.038 0.000 1.031 51 F HN -0.044 nan 8.300 nan 0.000 0.500 52 R N -0.052 120.464 120.500 0.027 0.000 2.062 52 R HA -0.111 4.253 4.340 0.040 0.000 0.231 52 R C 2.244 178.472 176.300 -0.119 0.000 1.136 52 R CA 1.385 57.474 56.100 -0.019 0.000 0.948 52 R CB -0.796 29.517 30.300 0.022 0.000 0.845 52 R HN 0.182 nan 8.270 nan 0.000 0.430 53 V N 1.005 120.775 119.914 -0.239 0.000 2.759 53 V HA -0.121 4.023 4.120 0.040 0.000 0.256 53 V C 1.571 177.561 176.094 -0.173 0.000 1.080 53 V CA 2.161 64.318 62.300 -0.238 0.000 1.101 53 V CB -0.042 31.514 31.823 -0.444 0.000 0.698 53 V HN 0.757 nan 8.190 nan 0.000 0.477 54 T N -2.842 111.527 114.554 -0.309 0.000 3.163 54 T HA 0.168 4.541 4.350 0.040 0.000 0.252 54 T C 0.548 175.111 174.700 -0.228 0.000 1.056 54 T CA 0.376 62.279 62.100 -0.328 0.000 0.947 54 T CB -0.851 67.593 68.868 -0.707 0.000 1.016 54 T HN 0.654 nan 8.240 nan 0.000 0.554 55 N N 0.465 119.082 118.700 -0.137 0.000 2.740 55 N HA -0.154 4.610 4.740 0.040 0.000 0.248 55 N C 0.193 175.719 175.510 0.027 0.000 1.062 55 N CA 0.745 53.778 53.050 -0.028 0.000 0.704 55 N CB -1.690 36.793 38.487 -0.007 0.000 0.968 55 N HN 0.401 nan 8.380 nan 0.000 0.547 56 S N -1.179 114.481 115.700 -0.066 0.000 2.730 56 S HA 0.100 4.593 4.470 0.040 0.000 0.244 56 S C 0.725 175.320 174.600 -0.008 0.000 1.022 56 S CA -0.542 57.572 58.200 -0.144 0.000 1.014 56 S CB 0.524 63.503 63.200 -0.367 0.000 0.963 56 S HN 0.274 nan 8.310 nan 0.000 0.540 57 D N 2.214 122.676 120.400 0.102 0.000 2.309 57 D HA -0.121 4.543 4.640 0.040 0.000 0.212 57 D C 1.489 177.823 176.300 0.056 0.000 0.968 57 D CA 0.993 55.060 54.000 0.112 0.000 0.882 57 D CB -0.055 40.807 40.800 0.104 0.000 0.918 57 D HN 0.772 nan 8.370 nan 0.000 0.503 58 H N -1.367 117.747 119.070 0.073 0.000 2.548 58 H HA 0.160 4.741 4.556 0.040 0.000 0.268 58 H C 0.865 176.225 175.328 0.053 0.000 0.975 58 H CA 0.064 56.139 56.048 0.045 0.000 1.195 58 H CB -0.404 29.377 29.762 0.031 0.000 1.397 58 H HN -0.007 nan 8.280 nan 0.000 0.572 59 L N 2.361 123.358 121.223 -0.376 0.000 2.423 59 L HA 0.141 4.505 4.340 0.040 0.000 0.249 59 L C 0.675 177.493 176.870 -0.087 0.000 1.276 59 L CA -0.320 54.422 54.840 -0.164 0.000 1.199 59 L CB 0.256 42.245 42.059 -0.117 0.000 1.407 59 L HN 0.371 nan 8.230 nan 0.000 0.410 60 T N 0.459 114.971 114.554 -0.071 0.000 2.652 60 T HA -0.236 4.138 4.350 0.040 0.000 0.267 60 T C 2.073 176.707 174.700 -0.110 0.000 1.039 60 T CA 1.766 63.808 62.100 -0.097 0.000 1.153 60 T CB 0.124 68.964 68.868 -0.047 0.000 0.863 60 T HN 0.680 nan 8.240 nan 0.000 0.428 61 A N 1.061 123.845 122.820 -0.060 0.000 1.908 61 A HA -0.051 4.293 4.320 0.040 0.000 0.218 61 A C 2.267 179.799 177.584 -0.086 0.000 1.181 61 A CA 1.426 53.430 52.037 -0.054 0.000 0.627 61 A CB -0.885 18.108 19.000 -0.012 0.000 0.818 61 A HN 0.396 nan 8.150 nan 0.000 0.445 62 L N -0.283 120.902 121.223 -0.063 0.000 2.056 62 L HA -0.115 4.249 4.340 0.040 0.000 0.207 62 L C 2.357 179.141 176.870 -0.144 0.000 1.078 62 L CA 2.450 57.259 54.840 -0.052 0.000 0.749 62 L CB -0.450 41.684 42.059 0.124 0.000 0.901 62 L HN 0.440 nan 8.230 nan 0.000 0.433 63 K N -0.721 119.410 120.400 -0.448 0.000 2.063 63 K HA -0.212 4.131 4.320 0.040 0.000 0.208 63 K C 1.714 178.098 176.600 -0.360 0.000 1.048 63 K CA 1.821 57.555 56.287 -0.922 0.000 0.928 63 K CB -0.129 31.732 32.500 -1.065 0.000 0.713 63 K HN 0.357 nan 8.250 nan 0.000 0.442 64 D N 0.554 120.810 120.400 -0.240 0.000 2.144 64 D HA -0.138 4.526 4.640 0.040 0.000 0.199 64 D C 1.728 177.952 176.300 -0.128 0.000 0.984 64 D CA 1.220 55.129 54.000 -0.153 0.000 0.834 64 D CB 0.036 40.767 40.800 -0.115 0.000 0.955 64 D HN 0.225 nan 8.370 nan 0.000 0.465 65 K N -0.424 119.889 120.400 -0.144 0.000 2.057 65 K HA -0.106 4.238 4.320 0.040 0.000 0.206 65 K C 1.981 178.520 176.600 -0.101 0.000 1.050 65 K CA 0.523 56.708 56.287 -0.170 0.000 0.935 65 K CB -0.234 32.051 32.500 -0.357 0.000 0.715 65 K HN 0.043 nan 8.250 nan 0.000 0.439 66 F N 2.503 122.323 119.950 -0.217 0.000 2.134 66 F HA -0.184 4.368 4.527 0.043 0.000 0.299 66 F C 1.715 177.466 175.800 -0.082 0.000 1.097 66 F CA 1.531 59.470 58.000 -0.102 0.000 1.264 66 F CB -0.056 38.996 39.000 0.085 0.000 1.001 66 F HN -0.122 nan 8.300 nan 0.000 0.479 67 K N -0.122 120.174 120.400 -0.175 0.000 2.032 67 K HA -0.200 4.144 4.320 0.040 0.000 0.209 67 K C 2.242 178.714 176.600 -0.213 0.000 1.048 67 K CA 1.909 58.054 56.287 -0.237 0.000 0.927 67 K CB -0.241 32.169 32.500 -0.150 0.000 0.712 67 K HN 0.256 nan 8.250 nan 0.000 0.441 68 R N 0.576 120.986 120.500 -0.149 0.000 2.075 68 R HA -0.039 4.325 4.340 0.040 0.000 0.232 68 R C 2.394 178.625 176.300 -0.115 0.000 1.126 68 R CA 1.112 57.144 56.100 -0.113 0.000 0.963 68 R CB -0.366 29.886 30.300 -0.080 0.000 0.858 68 R HN 0.181 nan 8.270 nan 0.000 0.435 69 I N 0.330 120.828 120.570 -0.120 0.000 2.118 69 I HA -0.419 3.775 4.170 0.040 0.000 0.241 69 I C 2.315 178.336 176.117 -0.161 0.000 1.070 69 I CA 1.308 62.551 61.300 -0.096 0.000 1.327 69 I CB -0.300 37.689 38.000 -0.019 0.000 1.034 69 I HN 0.309 nan 8.210 nan 0.000 0.405 70 C N 0.088 119.200 119.300 -0.314 0.000 2.422 70 C HA -0.172 4.312 4.460 0.040 0.000 0.279 70 C C 2.709 177.586 174.990 -0.189 0.000 1.305 70 C CA 0.802 59.626 59.018 -0.323 0.000 1.757 70 C CB -1.162 26.267 27.740 -0.518 0.000 1.962 70 C HN 0.528 nan 8.230 nan 0.000 0.499 71 Q N 0.062 119.766 119.800 -0.159 0.000 2.297 71 Q HA -0.072 4.292 4.340 0.040 0.000 0.204 71 Q C 1.515 177.467 176.000 -0.079 0.000 0.962 71 Q CA 0.802 56.539 55.803 -0.109 0.000 0.879 71 Q CB -0.007 28.673 28.738 -0.096 0.000 0.947 71 Q HN 0.695 nan 8.270 nan 0.000 0.462 72 E N -0.337 119.818 120.200 -0.074 0.000 2.465 72 E HA 0.084 4.457 4.350 0.040 0.000 0.195 72 E C 1.136 177.711 176.600 -0.042 0.000 1.028 72 E CA 0.126 56.496 56.400 -0.051 0.000 0.899 72 E CB 0.387 30.062 29.700 -0.040 0.000 1.032 72 E HN 0.478 nan 8.360 nan 0.000 0.468 73 M N -0.876 118.694 119.600 -0.049 0.000 2.492 73 M HA 0.193 4.697 4.480 0.040 0.000 0.255 73 M C 1.197 177.481 176.300 -0.027 0.000 1.139 73 M CA 0.736 56.016 55.300 -0.033 0.000 1.096 73 M CB 0.462 33.042 32.600 -0.034 0.000 1.360 73 M HN 0.165 nan 8.290 nan 0.000 0.480 74 G N 1.609 110.388 108.800 -0.034 0.000 2.136 74 G HA2 -0.183 3.801 3.960 0.040 0.000 0.242 74 G HA3 -0.183 3.801 3.960 0.040 0.000 0.242 74 G C -0.111 174.772 174.900 -0.028 0.000 0.989 74 G CA -0.172 44.910 45.100 -0.029 0.000 0.682 74 G HN 0.330 nan 8.290 nan 0.000 0.522 75 V N 0.299 120.192 119.914 -0.035 0.000 2.459 75 V HA 0.495 4.639 4.120 0.040 0.000 0.295 75 V C 0.941 177.000 176.094 -0.058 0.000 1.029 75 V CA -0.239 62.039 62.300 -0.036 0.000 0.874 75 V CB 1.698 33.509 31.823 -0.019 0.000 0.985 75 V HN 0.352 nan 8.190 nan 0.000 0.438 76 Q N 3.066 122.823 119.800 -0.071 0.000 2.353 76 Q HA 0.288 4.652 4.340 0.040 0.000 0.240 76 Q C 0.395 176.326 176.000 -0.114 0.000 0.868 76 Q CA 0.211 55.962 55.803 -0.085 0.000 0.944 76 Q CB 1.086 29.776 28.738 -0.080 0.000 1.104 76 Q HN 0.828 nan 8.270 nan 0.000 0.531 77 R N -0.080 120.335 120.500 -0.142 0.000 2.690 77 R HA 0.516 4.879 4.340 0.040 0.000 0.269 77 R C -1.388 174.773 176.300 -0.232 0.000 1.037 77 R CA -0.929 55.042 56.100 -0.215 0.000 0.877 77 R CB 1.377 31.503 30.300 -0.289 0.000 1.255 77 R HN -0.103 nan 8.270 nan 0.000 0.467 78 R N 1.220 121.533 120.500 -0.311 0.000 2.764 78 R HA 0.382 4.746 4.340 0.040 0.000 0.270 78 R C -1.764 174.282 176.300 -0.423 0.000 1.014 78 R CA -0.764 55.204 56.100 -0.220 0.000 0.904 78 R CB 1.252 31.547 30.300 -0.009 0.000 1.236 78 R HN 0.655 nan 8.270 nan 0.000 0.466 79 Y N 0.952 121.274 120.300 0.038 0.000 2.364 79 Y HA 0.555 5.124 4.550 0.030 0.000 0.340 79 Y C -0.121 175.792 175.900 0.021 0.000 0.975 79 Y CA -0.759 57.357 58.100 0.026 0.000 1.089 79 Y CB 2.197 40.712 38.460 0.092 0.000 1.192 79 Y HN 0.262 nan 8.280 nan 0.000 0.454 80 L N 2.912 124.164 121.223 0.049 0.000 2.385 80 L HA 0.340 4.703 4.340 0.040 0.000 0.273 80 L C 0.565 177.418 176.870 -0.029 0.000 0.990 80 L CA -0.861 53.933 54.840 -0.076 0.000 0.821 80 L CB 1.853 43.642 42.059 -0.450 0.000 1.279 80 L HN 0.761 nan 8.230 nan 0.000 0.412 81 H N 2.221 121.313 119.070 0.037 0.000 2.395 81 H HA -0.019 4.560 4.556 0.038 0.000 0.299 81 H C 0.758 176.145 175.328 0.100 0.000 1.070 81 H CA 0.763 56.869 56.048 0.096 0.000 1.356 81 H CB 0.235 30.092 29.762 0.158 0.000 1.401 81 H HN 0.562 nan 8.280 nan 0.000 0.524 82 H N -0.188 118.917 119.070 0.058 0.000 2.629 82 H HA 0.367 4.947 4.556 0.040 0.000 0.357 82 H C -0.015 175.328 175.328 0.025 0.000 1.121 82 H CA 0.363 56.417 56.048 0.010 0.000 1.406 82 H CB 0.642 30.423 29.762 0.031 0.000 1.456 82 H HN 0.345 nan 8.280 nan 0.000 0.579 83 T N -0.792 113.819 114.554 0.096 0.000 2.838 83 T HA 0.193 4.567 4.350 0.040 0.000 0.292 83 T C 0.752 175.560 174.700 0.180 0.000 1.113 83 T CA -0.911 61.257 62.100 0.113 0.000 1.008 83 T CB 1.786 70.667 68.868 0.022 0.000 1.259 83 T HN 0.491 nan 8.240 nan 0.000 0.520 84 E N 0.713 121.040 120.200 0.213 0.000 2.097 84 E HA -0.181 4.192 4.350 0.040 0.000 0.196 84 E C 2.129 178.758 176.600 0.048 0.000 1.000 84 E CA 1.988 58.460 56.400 0.119 0.000 0.804 84 E CB -0.083 29.687 29.700 0.117 0.000 0.740 84 E HN 0.754 nan 8.360 nan 0.000 0.454 85 E N 0.425 120.649 120.200 0.040 0.000 2.072 85 E HA -0.211 4.163 4.350 0.040 0.000 0.191 85 E C 2.159 178.758 176.600 -0.003 0.000 0.985 85 E CA 0.946 57.350 56.400 0.007 0.000 0.801 85 E CB -0.537 29.166 29.700 0.005 0.000 0.750 85 E HN 0.354 nan 8.360 nan 0.000 0.452 86 M N 0.847 120.466 119.600 0.033 0.000 2.086 86 M HA -0.121 4.383 4.480 0.040 0.000 0.261 86 M C 2.280 178.616 176.300 0.061 0.000 1.067 86 M CA 1.423 56.770 55.300 0.079 0.000 1.116 86 M CB -0.030 32.645 32.600 0.125 0.000 1.348 86 M HN 0.043 nan 8.290 nan 0.000 0.407 87 L N -0.952 120.289 121.223 0.030 0.000 2.156 87 L HA -0.131 4.233 4.340 0.040 0.000 0.208 87 L C 2.405 179.238 176.870 -0.063 0.000 1.095 87 L CA 0.780 55.610 54.840 -0.017 0.000 0.770 87 L CB -0.623 41.415 42.059 -0.035 0.000 0.914 87 L HN 0.271 nan 8.230 nan 0.000 0.439 88 S N 0.179 115.843 115.700 -0.059 0.000 2.382 88 S HA -0.139 4.354 4.470 0.040 0.000 0.228 88 S C 2.146 176.660 174.600 -0.144 0.000 1.027 88 S CA 1.230 59.383 58.200 -0.079 0.000 0.991 88 S CB -0.226 62.941 63.200 -0.055 0.000 0.823 88 S HN 0.495 nan 8.310 nan 0.000 0.469 89 A N 0.622 123.318 122.820 -0.207 0.000 2.119 89 A HA -0.027 4.317 4.320 0.040 0.000 0.217 89 A C 0.641 177.816 177.584 -0.681 0.000 1.153 89 A CA 0.810 52.610 52.037 -0.395 0.000 0.692 89 A CB -0.178 18.570 19.000 -0.421 0.000 0.799 89 A HN 0.547 nan 8.150 nan 0.000 0.458 90 H N -0.993 117.883 119.070 -0.322 0.000 2.379 90 H HA 0.178 4.758 4.556 0.040 0.000 0.229 90 H C -2.119 172.961 175.328 -0.414 0.000 1.423 90 H CA -1.426 54.285 56.048 -0.562 0.000 1.375 90 H CB 0.496 29.462 29.762 -1.327 0.000 1.592 90 H HN 0.323 nan 8.280 nan 0.000 0.507 91 P HA -0.153 nan 4.420 nan 0.000 0.221 91 P C 0.879 178.203 177.300 0.040 0.000 1.145 91 P CA 0.995 64.075 63.100 -0.033 0.000 0.795 91 P CB 0.518 32.196 31.700 -0.037 0.000 0.775 92 E N -0.571 119.658 120.200 0.049 0.000 2.160 92 E HA -0.172 4.202 4.350 0.040 0.000 0.195 92 E C 1.742 178.526 176.600 0.308 0.000 0.991 92 E CA 0.992 57.481 56.400 0.148 0.000 0.810 92 E CB -1.134 28.664 29.700 0.164 0.000 0.742 92 E HN 0.203 nan 8.360 nan 0.000 0.466 93 F N 0.543 120.554 119.950 0.102 0.000 2.126 93 F HA -0.143 4.407 4.527 0.040 0.000 0.299 93 F C 2.403 178.292 175.800 0.148 0.000 1.096 93 F CA 1.159 59.239 58.000 0.133 0.000 1.255 93 F CB -1.226 37.877 39.000 0.173 0.000 0.997 93 F HN 0.088 nan 8.300 nan 0.000 0.479 94 V N -1.838 118.268 119.914 0.320 0.000 3.041 94 V HA -0.024 4.120 4.120 0.040 0.000 0.260 94 V C 0.625 176.749 176.094 0.050 0.000 1.105 94 V CA 0.932 63.323 62.300 0.152 0.000 1.125 94 V CB -0.657 31.224 31.823 0.097 0.000 0.730 94 V HN 0.111 nan 8.190 nan 0.000 0.479 95 D N 0.985 121.431 120.400 0.077 0.000 2.338 95 D HA 0.155 4.818 4.640 0.040 0.000 0.255 95 D C 1.300 177.622 176.300 0.036 0.000 1.237 95 D CA -0.002 54.023 54.000 0.042 0.000 0.883 95 D CB 1.037 41.866 40.800 0.048 0.000 1.087 95 D HN 0.306 nan 8.370 nan 0.000 0.485 96 R N 2.378 122.882 120.500 0.007 0.000 2.241 96 R HA -0.075 4.289 4.340 0.040 0.000 0.224 96 R C 0.387 176.693 176.300 0.010 0.000 1.101 96 R CA 0.956 57.056 56.100 -0.000 0.000 0.995 96 R CB 0.338 30.628 30.300 -0.017 0.000 0.870 96 R HN 0.482 nan 8.270 nan 0.000 0.463 97 D N -0.369 120.041 120.400 0.016 0.000 2.407 97 D HA 0.100 4.764 4.640 0.040 0.000 0.208 97 D C -0.011 176.304 176.300 0.025 0.000 1.083 97 D CA 0.122 54.132 54.000 0.017 0.000 0.844 97 D CB 0.576 41.383 40.800 0.012 0.000 0.967 97 D HN 0.100 nan 8.370 nan 0.000 0.506 98 A N 2.761 125.604 122.820 0.038 0.000 2.366 98 A HA 0.431 4.775 4.320 0.040 0.000 0.272 98 A C -2.293 175.324 177.584 0.054 0.000 1.135 98 A CA -1.103 50.964 52.037 0.049 0.000 0.804 98 A CB 0.315 19.355 19.000 0.066 0.000 1.064 98 A HN -0.139 nan 8.150 nan 0.000 0.499 99 P HA 0.122 nan 4.420 nan 0.000 0.271 99 P C 0.230 177.570 177.300 0.067 0.000 1.220 99 P CA 0.258 63.381 63.100 0.038 0.000 0.768 99 P CB 1.168 32.883 31.700 0.024 0.000 0.848 100 S N 0.796 116.532 115.700 0.060 0.000 2.822 100 S HA 0.005 4.499 4.470 0.040 0.000 0.251 100 S C 1.106 175.723 174.600 0.028 0.000 0.946 100 S CA -0.327 57.948 58.200 0.124 0.000 1.377 100 S CB -0.875 62.491 63.200 0.277 0.000 1.230 100 S HN 0.189 nan 8.310 nan 0.000 0.671 101 L N 2.976 124.168 121.223 -0.053 0.000 2.081 101 L HA -0.051 4.313 4.340 0.040 0.000 0.212 101 L C 1.641 178.440 176.870 -0.119 0.000 1.080 101 L CA 2.325 57.080 54.840 -0.141 0.000 0.754 101 L CB -0.690 41.261 42.059 -0.180 0.000 0.893 101 L HN 0.229 nan 8.230 nan 0.000 0.433 102 D N -0.177 120.193 120.400 -0.051 0.000 2.092 102 D HA -0.193 4.471 4.640 0.040 0.000 0.193 102 D C 2.220 178.534 176.300 0.022 0.000 0.994 102 D CA 1.701 55.687 54.000 -0.023 0.000 0.828 102 D CB -0.432 40.372 40.800 0.007 0.000 0.963 102 D HN 0.488 nan 8.370 nan 0.000 0.450 103 A N 0.908 123.778 122.820 0.083 0.000 1.933 103 A HA -0.198 4.146 4.320 0.040 0.000 0.218 103 A C 2.181 179.831 177.584 0.110 0.000 1.175 103 A CA 1.444 53.554 52.037 0.120 0.000 0.628 103 A CB -0.442 18.671 19.000 0.187 0.000 0.814 103 A HN 0.131 nan 8.150 nan 0.000 0.444 104 R N -0.529 119.982 120.500 0.019 0.000 2.073 104 R HA -0.027 4.336 4.340 0.040 0.000 0.234 104 R C 2.062 178.318 176.300 -0.073 0.000 1.134 104 R CA 1.522 57.531 56.100 -0.153 0.000 0.952 104 R CB -0.558 29.507 30.300 -0.392 0.000 0.850 104 R HN 0.485 nan 8.270 nan 0.000 0.433 105 L N 0.743 121.921 121.223 -0.076 0.000 2.083 105 L HA -0.201 4.163 4.340 0.040 0.000 0.209 105 L C 1.747 178.682 176.870 0.108 0.000 1.083 105 L CA 1.072 55.917 54.840 0.009 0.000 0.752 105 L CB -0.455 41.557 42.059 -0.077 0.000 0.899 105 L HN 0.172 nan 8.230 nan 0.000 0.433 106 D N 0.307 120.752 120.400 0.074 0.000 2.123 106 D HA -0.168 4.496 4.640 0.040 0.000 0.196 106 D C 2.233 178.557 176.300 0.039 0.000 0.992 106 D CA 1.362 55.398 54.000 0.061 0.000 0.833 106 D CB -0.090 40.750 40.800 0.067 0.000 0.954 106 D HN 0.320 nan 8.370 nan 0.000 0.455 107 I N 0.974 121.577 120.570 0.055 0.000 2.202 107 I HA -0.214 3.980 4.170 0.040 0.000 0.242 107 I C 2.487 178.624 176.117 0.033 0.000 1.091 107 I CA 0.996 62.345 61.300 0.081 0.000 1.368 107 I CB -0.252 37.830 38.000 0.137 0.000 1.058 107 I HN -0.088 nan 8.210 nan 0.000 0.410 108 A N 0.893 123.722 122.820 0.015 0.000 1.933 108 A HA -0.170 4.173 4.320 0.040 0.000 0.218 108 A C 2.560 180.122 177.584 -0.037 0.000 1.175 108 A CA 1.813 53.844 52.037 -0.009 0.000 0.628 108 A CB -0.866 18.145 19.000 0.019 0.000 0.814 108 A HN 0.431 nan 8.150 nan 0.000 0.444 109 A N -0.285 122.480 122.820 -0.092 0.000 1.948 109 A HA -0.222 4.121 4.320 0.040 0.000 0.220 109 A C 1.790 179.294 177.584 -0.134 0.000 1.177 109 A CA 2.064 53.943 52.037 -0.265 0.000 0.636 109 A CB -0.425 18.264 19.000 -0.519 0.000 0.815 109 A HN 0.497 nan 8.150 nan 0.000 0.449 110 D N -0.942 119.415 120.400 -0.072 0.000 2.259 110 D HA 0.179 4.843 4.640 0.040 0.000 0.216 110 D C 2.230 178.506 176.300 -0.039 0.000 0.961 110 D CA 1.249 55.229 54.000 -0.033 0.000 0.878 110 D CB -0.297 40.506 40.800 0.005 0.000 1.009 110 D HN 0.381 nan 8.370 nan 0.000 0.490 111 A N 0.678 123.451 122.820 -0.077 0.000 1.970 111 A HA -0.033 4.311 4.320 0.040 0.000 0.216 111 A C 2.401 179.894 177.584 -0.152 0.000 1.170 111 A CA 0.713 52.641 52.037 -0.183 0.000 0.645 111 A CB -0.462 18.230 19.000 -0.513 0.000 0.816 111 A HN 0.096 nan 8.150 nan 0.000 0.447 112 V N 0.549 120.406 119.914 -0.096 0.000 2.307 112 V HA -0.122 4.022 4.120 0.040 0.000 0.245 112 V C -0.276 175.803 176.094 -0.025 0.000 1.045 112 V CA 2.318 64.590 62.300 -0.047 0.000 1.024 112 V CB -1.385 30.434 31.823 -0.006 0.000 0.651 112 V HN 0.359 nan 8.190 nan 0.000 0.449 113 P HA -0.164 nan 4.420 nan 0.000 0.217 113 P C 1.661 178.954 177.300 -0.013 0.000 1.150 113 P CA 1.435 64.528 63.100 -0.011 0.000 0.832 113 P CB 0.084 31.779 31.700 -0.007 0.000 0.787 114 E N -0.587 119.604 120.200 -0.015 0.000 2.058 114 E HA -0.206 4.167 4.350 0.040 0.000 0.194 114 E C 1.851 178.450 176.600 -0.001 0.000 0.997 114 E CA 0.958 57.355 56.400 -0.004 0.000 0.801 114 E CB -0.542 29.162 29.700 0.006 0.000 0.746 114 E HN 0.007 nan 8.360 nan 0.000 0.450 115 L N 0.656 121.873 121.223 -0.010 0.000 2.056 115 L HA -0.036 4.328 4.340 0.040 0.000 0.207 115 L C 2.274 179.147 176.870 0.004 0.000 1.078 115 L CA 2.043 56.885 54.840 0.004 0.000 0.749 115 L CB -0.663 41.398 42.059 0.002 0.000 0.901 115 L HN 0.191 nan 8.230 nan 0.000 0.433 116 A N -0.476 122.343 122.820 -0.002 0.000 1.908 116 A HA -0.163 4.181 4.320 0.040 0.000 0.218 116 A C 2.447 180.025 177.584 -0.011 0.000 1.181 116 A CA 1.904 53.938 52.037 -0.005 0.000 0.627 116 A CB -1.187 17.810 19.000 -0.005 0.000 0.818 116 A HN 0.552 nan 8.150 nan 0.000 0.445 117 A N -0.483 122.332 122.820 -0.009 0.000 1.902 117 A HA -0.195 4.149 4.320 0.040 0.000 0.217 117 A C 2.046 179.626 177.584 -0.007 0.000 1.181 117 A CA 1.816 53.847 52.037 -0.009 0.000 0.623 117 A CB -0.549 18.445 19.000 -0.009 0.000 0.818 117 A HN 0.689 nan 8.150 nan 0.000 0.443 118 E N -0.097 120.100 120.200 -0.004 0.000 2.051 118 E HA -0.160 4.214 4.350 0.040 0.000 0.192 118 E C 2.151 178.741 176.600 -0.017 0.000 0.991 118 E CA 1.131 57.529 56.400 -0.004 0.000 0.799 118 E CB -0.254 29.448 29.700 0.003 0.000 0.748 118 E HN 0.536 nan 8.360 nan 0.000 0.449 119 A N 1.123 123.928 122.820 -0.026 0.000 1.898 119 A HA -0.060 4.284 4.320 0.040 0.000 0.216 119 A C 2.375 179.930 177.584 -0.048 0.000 1.181 119 A CA 1.745 53.749 52.037 -0.054 0.000 0.620 119 A CB -0.688 18.271 19.000 -0.068 0.000 0.819 119 A HN 0.414 nan 8.150 nan 0.000 0.442 120 A N -0.147 122.654 122.820 -0.032 0.000 1.898 120 A HA -0.145 4.199 4.320 0.040 0.000 0.216 120 A C 2.090 179.676 177.584 0.003 0.000 1.181 120 A CA 1.800 53.824 52.037 -0.022 0.000 0.620 120 A CB -0.434 18.555 19.000 -0.017 0.000 0.819 120 A HN 0.530 nan 8.150 nan 0.000 0.442 121 K N -0.038 120.365 120.400 0.005 0.000 2.063 121 K HA -0.154 4.190 4.320 0.040 0.000 0.208 121 K C 2.031 178.643 176.600 0.021 0.000 1.048 121 K CA 1.706 58.005 56.287 0.018 0.000 0.928 121 K CB -0.141 32.365 32.500 0.010 0.000 0.713 121 K HN 0.432 nan 8.250 nan 0.000 0.442 122 K N 0.171 120.572 120.400 0.002 0.000 2.103 122 K HA -0.051 4.293 4.320 0.040 0.000 0.204 122 K C 2.255 178.861 176.600 0.010 0.000 1.052 122 K CA 1.046 57.332 56.287 -0.002 0.000 0.945 122 K CB -0.089 32.395 32.500 -0.027 0.000 0.722 122 K HN 0.108 nan 8.250 nan 0.000 0.443 123 A N 1.769 124.590 122.820 0.000 0.000 1.902 123 A HA -0.152 4.192 4.320 0.040 0.000 0.217 123 A C 2.157 179.805 177.584 0.107 0.000 1.181 123 A CA 1.319 53.364 52.037 0.014 0.000 0.623 123 A CB -0.587 18.392 19.000 -0.036 0.000 0.818 123 A HN 0.158 nan 8.150 nan 0.000 0.443 124 I N -0.261 120.391 120.570 0.137 0.000 2.252 124 I HA -0.257 3.936 4.170 0.040 0.000 0.245 124 I C 2.952 179.189 176.117 0.200 0.000 1.102 124 I CA 1.006 62.472 61.300 0.276 0.000 1.385 124 I CB -0.292 37.844 38.000 0.228 0.000 1.064 124 I HN 0.347 nan 8.210 nan 0.000 0.414 125 A N 0.082 122.963 122.820 0.102 0.000 1.908 125 A HA -0.273 4.071 4.320 0.040 0.000 0.218 125 A C 2.351 179.973 177.584 0.064 0.000 1.181 125 A CA 1.950 54.020 52.037 0.055 0.000 0.627 125 A CB -0.631 18.386 19.000 0.028 0.000 0.818 125 A HN 0.491 nan 8.150 nan 0.000 0.445 126 E N -1.470 118.780 120.200 0.085 0.000 2.047 126 E HA -0.239 4.135 4.350 0.040 0.000 0.191 126 E C 1.820 178.511 176.600 0.151 0.000 0.987 126 E CA 1.375 57.826 56.400 0.084 0.000 0.799 126 E CB -0.312 29.426 29.700 0.064 0.000 0.752 126 E HN 0.762 nan 8.360 nan 0.000 0.449 127 W N 0.842 122.129 121.300 -0.021 0.000 2.318 127 W HA -0.199 4.484 4.660 0.039 0.000 0.313 127 W C 1.445 177.955 176.519 -0.016 0.000 1.221 127 W CA 2.900 60.235 57.345 -0.017 0.000 1.266 127 W CB -0.650 28.802 29.460 -0.013 0.000 1.150 127 W HN 0.330 nan 8.180 nan 0.000 0.496 128 G N -0.030 108.720 108.800 -0.083 0.000 2.159 128 G HA2 -0.230 3.754 3.960 0.040 0.000 0.227 128 G HA3 -0.230 3.754 3.960 0.040 0.000 0.227 128 G C 0.419 175.049 174.900 -0.450 0.000 0.986 128 G CA 0.014 44.981 45.100 -0.221 0.000 0.651 128 G HN 0.376 nan 8.290 nan 0.000 0.523 129 R N 0.041 120.040 120.500 -0.835 0.000 2.854 129 R HA 0.536 4.900 4.340 0.040 0.000 0.271 129 R C -2.704 173.237 176.300 -0.599 0.000 0.996 129 R CA -1.881 53.642 56.100 -0.962 0.000 0.961 129 R CB 1.671 30.923 30.300 -1.746 0.000 1.182 129 R HN 0.016 nan 8.270 nan 0.000 0.479 130 P HA 0.061 nan 4.420 nan 0.000 0.272 130 P C 0.035 177.341 177.300 0.011 0.000 1.223 130 P CA 0.115 63.138 63.100 -0.129 0.000 0.784 130 P CB 0.700 32.343 31.700 -0.095 0.000 0.923 131 A N 2.963 125.834 122.820 0.084 0.000 1.986 131 A HA -0.210 4.134 4.320 0.040 0.000 0.220 131 A C 2.062 179.719 177.584 0.122 0.000 1.171 131 A CA 2.167 54.291 52.037 0.145 0.000 0.640 131 A CB -1.647 17.399 19.000 0.077 0.000 0.811 131 A HN 0.571 nan 8.150 nan 0.000 0.451 132 A N -0.449 122.410 122.820 0.064 0.000 2.125 132 A HA -0.109 4.234 4.320 0.040 0.000 0.219 132 A C 1.387 179.017 177.584 0.077 0.000 1.156 132 A CA 1.664 53.730 52.037 0.047 0.000 0.671 132 A CB -0.390 18.618 19.000 0.014 0.000 0.794 132 A HN 0.448 nan 8.150 nan 0.000 0.459 133 D N -0.552 119.925 120.400 0.128 0.000 2.349 133 D HA 0.150 4.814 4.640 0.040 0.000 0.215 133 D C 0.328 176.820 176.300 0.320 0.000 1.016 133 D CA 0.125 54.240 54.000 0.192 0.000 0.870 133 D CB -0.047 40.831 40.800 0.130 0.000 0.917 133 D HN 0.459 nan 8.370 nan 0.000 0.524 134 I N 1.175 121.917 120.570 0.287 0.000 2.556 134 I HA -0.018 4.176 4.170 0.040 0.000 0.284 134 I C 1.695 177.865 176.117 0.089 0.000 1.114 134 I CA 0.265 61.661 61.300 0.160 0.000 1.418 134 I CB 1.315 39.370 38.000 0.091 0.000 1.394 134 I HN -0.087 nan 8.210 nan 0.000 0.552 135 T N 0.587 115.193 114.554 0.086 0.000 2.969 135 T HA 0.222 4.596 4.350 0.040 0.000 0.250 135 T C 0.302 174.896 174.700 -0.177 0.000 1.021 135 T CA 0.061 62.164 62.100 0.004 0.000 1.003 135 T CB 0.024 68.948 68.868 0.094 0.000 1.040 135 T HN 0.549 nan 8.240 nan 0.000 0.492 136 H N -0.108 118.955 119.070 -0.013 0.000 2.806 136 H HA 0.745 5.325 4.556 0.040 0.000 0.367 136 H C -1.746 173.561 175.328 -0.035 0.000 1.136 136 H CA -0.886 55.150 56.048 -0.020 0.000 1.178 136 H CB 2.093 31.840 29.762 -0.025 0.000 1.718 136 H HN 0.141 nan 8.280 nan 0.000 0.540 137 L N 3.011 124.281 121.223 0.078 0.000 2.406 137 L HA 0.622 4.986 4.340 0.040 0.000 0.272 137 L C -1.612 175.273 176.870 0.025 0.000 0.980 137 L CA -0.636 54.220 54.840 0.027 0.000 0.831 137 L CB 1.606 43.667 42.059 0.003 0.000 1.253 137 L HN 0.493 nan 8.230 nan 0.000 0.406 138 V N 5.727 125.644 119.914 0.004 0.000 2.444 138 V HA 0.650 4.794 4.120 0.040 0.000 0.294 138 V C -0.513 175.568 176.094 -0.022 0.000 1.022 138 V CA -0.655 61.642 62.300 -0.006 0.000 0.850 138 V CB 1.726 33.544 31.823 -0.008 0.000 0.992 138 V HN 0.516 nan 8.190 nan 0.000 0.426 139 V N 3.528 123.423 119.914 -0.031 0.000 2.540 139 V HA 0.701 4.845 4.120 0.040 0.000 0.302 139 V C -0.058 176.001 176.094 -0.058 0.000 1.035 139 V CA -0.296 61.980 62.300 -0.040 0.000 0.873 139 V CB 2.191 33.990 31.823 -0.039 0.000 0.992 139 V HN 0.902 nan 8.190 nan 0.000 0.428 140 T N 2.695 117.222 114.554 -0.046 0.000 2.921 140 T HA 0.707 5.081 4.350 0.040 0.000 0.297 140 T C -0.929 173.754 174.700 -0.028 0.000 1.013 140 T CA -0.207 61.862 62.100 -0.052 0.000 0.990 140 T CB 1.578 70.417 68.868 -0.050 0.000 1.023 140 T HN 0.948 nan 8.240 nan 0.000 0.447 141 T N 3.182 117.729 114.554 -0.011 0.000 2.957 141 T HA 0.354 4.727 4.350 0.040 0.000 0.336 141 T C 0.171 174.914 174.700 0.071 0.000 1.462 141 T CA -0.666 61.453 62.100 0.032 0.000 1.073 141 T CB 1.167 70.072 68.868 0.062 0.000 1.319 141 T HN 0.524 nan 8.240 nan 0.000 0.485 142 N N 1.310 120.043 118.700 0.055 0.000 2.416 142 N HA 0.047 4.811 4.740 0.040 0.000 0.177 142 N C 0.622 176.236 175.510 0.173 0.000 1.036 142 N CA 0.412 53.504 53.050 0.070 0.000 0.901 142 N CB 0.240 38.743 38.487 0.027 0.000 0.976 142 N HN 0.475 nan 8.380 nan 0.000 0.444 143 S N 0.389 116.167 115.700 0.129 0.000 3.266 143 S HA 0.554 5.048 4.470 0.040 0.000 0.209 143 S C 0.562 175.249 174.600 0.145 0.000 1.409 143 S CA -0.680 57.578 58.200 0.096 0.000 1.179 143 S CB 0.415 63.642 63.200 0.045 0.000 1.218 143 S HN 0.364 nan 8.310 nan 0.000 0.514 144 G N -0.039 108.899 108.800 0.231 0.000 2.579 144 G HA2 0.622 4.605 3.960 0.040 0.000 0.292 144 G HA3 0.622 4.605 3.960 0.040 0.000 0.292 144 G C -1.363 173.585 174.900 0.081 0.000 1.484 144 G CA -0.258 45.008 45.100 0.277 0.000 0.813 144 G HN 0.519 nan 8.290 nan 0.000 0.515 145 A N 1.082 123.771 122.820 -0.217 0.000 3.306 145 A HA 0.640 4.983 4.320 0.040 0.000 0.236 145 A C -0.875 176.255 177.584 -0.758 0.000 1.182 145 A CA -0.347 51.299 52.037 -0.651 0.000 1.024 145 A CB -0.322 18.359 19.000 -0.532 0.000 1.384 145 A HN 0.901 nan 8.150 nan 0.000 0.751 146 H N -1.165 117.809 119.070 -0.160 0.000 2.806 146 H HA 0.692 5.272 4.556 0.039 0.000 0.367 146 H C -0.793 174.591 175.328 0.094 0.000 1.136 146 H CA -0.834 55.211 56.048 -0.005 0.000 1.178 146 H CB 2.358 32.143 29.762 0.039 0.000 1.718 146 H HN 0.217 nan 8.280 nan 0.000 0.540 147 V N 3.001 122.999 119.914 0.141 0.000 2.482 147 V HA 0.348 4.491 4.120 0.040 0.000 0.295 147 V C -1.968 174.126 176.094 -0.000 0.000 1.026 147 V CA -1.456 60.894 62.300 0.083 0.000 0.856 147 V CB 1.144 32.997 31.823 0.050 0.000 1.001 147 V HN 0.746 nan 8.190 nan 0.000 0.424 148 P HA 0.476 nan 4.420 nan 0.000 0.271 148 P C 0.243 177.604 177.300 0.101 0.000 1.218 148 P CA 0.189 63.232 63.100 -0.095 0.000 0.780 148 P CB 1.333 32.707 31.700 -0.544 0.000 0.901 149 G N -0.015 108.891 108.800 0.177 0.000 2.702 149 G HA2 0.316 4.299 3.960 0.040 0.000 0.254 149 G HA3 0.316 4.299 3.960 0.040 0.000 0.254 149 G C 0.910 175.918 174.900 0.180 0.000 1.380 149 G CA -0.601 44.634 45.100 0.226 0.000 1.042 149 G HN 0.245 nan 8.290 nan 0.000 0.557 150 V N 1.577 121.567 119.914 0.125 0.000 2.392 150 V HA -0.180 3.964 4.120 0.040 0.000 0.249 150 V C 2.799 178.929 176.094 0.060 0.000 1.059 150 V CA 2.506 64.851 62.300 0.075 0.000 1.051 150 V CB -0.697 31.152 31.823 0.043 0.000 0.658 150 V HN 0.868 nan 8.190 nan 0.000 0.455 151 D N 0.129 120.561 120.400 0.053 0.000 2.104 151 D HA -0.309 4.355 4.640 0.040 0.000 0.194 151 D C 2.105 178.451 176.300 0.077 0.000 0.994 151 D CA 1.755 55.782 54.000 0.045 0.000 0.830 151 D CB -0.644 40.177 40.800 0.034 0.000 0.959 151 D HN 0.454 nan 8.370 nan 0.000 0.452 152 F N 1.860 121.811 119.950 0.001 0.000 2.146 152 F HA -0.064 4.487 4.527 0.039 0.000 0.298 152 F C 2.347 178.148 175.800 0.002 0.000 1.096 152 F CA 1.076 59.079 58.000 0.005 0.000 1.275 152 F CB 0.013 39.022 39.000 0.015 0.000 1.008 152 F HN -0.243 nan 8.300 nan 0.000 0.480 153 R N 0.714 121.268 120.500 0.090 0.000 2.120 153 R HA -0.094 4.270 4.340 0.040 0.000 0.234 153 R C 2.245 178.483 176.300 -0.103 0.000 1.123 153 R CA 1.168 57.264 56.100 -0.005 0.000 0.975 153 R CB -1.352 28.989 30.300 0.068 0.000 0.866 153 R HN 0.405 nan 8.270 nan 0.000 0.446 154 L N 0.245 121.419 121.223 -0.082 0.000 2.291 154 L HA -0.088 4.276 4.340 0.040 0.000 0.214 154 L C 2.249 179.049 176.870 -0.117 0.000 1.120 154 L CA 0.323 55.117 54.840 -0.077 0.000 0.799 154 L CB -0.328 41.705 42.059 -0.044 0.000 0.925 154 L HN -0.098 nan 8.230 nan 0.000 0.446 155 V N 0.970 120.762 119.914 -0.203 0.000 2.220 155 V HA -0.199 3.945 4.120 0.040 0.000 0.246 155 V C -0.077 175.910 176.094 -0.179 0.000 1.049 155 V CA 2.345 64.515 62.300 -0.218 0.000 1.003 155 V CB -1.720 29.895 31.823 -0.347 0.000 0.634 155 V HN 0.392 nan 8.190 nan 0.000 0.444 156 P HA -0.084 nan 4.420 nan 0.000 0.220 156 P C 1.959 179.210 177.300 -0.082 0.000 1.152 156 P CA 1.293 64.314 63.100 -0.132 0.000 0.812 156 P CB -0.011 31.608 31.700 -0.135 0.000 0.792 157 L N -1.064 120.112 121.223 -0.079 0.000 2.083 157 L HA -0.108 4.256 4.340 0.040 0.000 0.209 157 L C 2.450 179.300 176.870 -0.033 0.000 1.083 157 L CA 1.373 56.186 54.840 -0.045 0.000 0.752 157 L CB -0.582 41.454 42.059 -0.038 0.000 0.899 157 L HN -0.071 nan 8.230 nan 0.000 0.433 158 L N -1.460 119.740 121.223 -0.038 0.000 2.638 158 L HA 0.275 4.639 4.340 0.040 0.000 0.232 158 L C 1.226 178.087 176.870 -0.014 0.000 1.099 158 L CA 0.359 55.188 54.840 -0.018 0.000 0.883 158 L CB 0.031 42.085 42.059 -0.009 0.000 1.136 158 L HN 0.358 nan 8.230 nan 0.000 0.492 159 G N 1.689 110.470 108.800 -0.032 0.000 2.225 159 G HA2 -0.255 3.729 3.960 0.040 0.000 0.264 159 G HA3 -0.255 3.729 3.960 0.040 0.000 0.264 159 G C 0.131 175.020 174.900 -0.019 0.000 1.060 159 G CA -0.150 44.934 45.100 -0.027 0.000 0.833 159 G HN 0.199 nan 8.290 nan 0.000 0.498 160 L N -0.184 121.021 121.223 -0.030 0.000 2.467 160 L HA 0.332 4.696 4.340 0.040 0.000 0.270 160 L C 1.731 178.584 176.870 -0.028 0.000 1.205 160 L CA -0.707 54.121 54.840 -0.020 0.000 0.828 160 L CB 0.381 42.420 42.059 -0.033 0.000 1.101 160 L HN 0.548 nan 8.230 nan 0.000 0.479 161 R N 1.507 121.999 120.500 -0.015 0.000 2.623 161 R HA 0.108 4.472 4.340 0.040 0.000 0.271 161 R C -2.092 174.191 176.300 -0.029 0.000 1.043 161 R CA -1.158 54.931 56.100 -0.018 0.000 1.083 161 R CB -0.243 30.052 30.300 -0.009 0.000 0.974 161 R HN 0.313 nan 8.270 nan 0.000 0.436 162 P HA -0.125 nan 4.420 nan 0.000 0.222 162 P C 0.591 177.886 177.300 -0.008 0.000 1.147 162 P CA 1.213 64.302 63.100 -0.018 0.000 0.790 162 P CB 0.168 31.866 31.700 -0.003 0.000 0.780 163 S N -1.576 114.115 115.700 -0.016 0.000 2.679 163 S HA 0.124 4.618 4.470 0.040 0.000 0.233 163 S C 0.528 175.096 174.600 -0.053 0.000 0.951 163 S CA -0.582 57.603 58.200 -0.024 0.000 0.973 163 S CB -1.188 61.998 63.200 -0.022 0.000 0.778 163 S HN -0.044 nan 8.310 nan 0.000 0.477 164 V N 2.339 122.222 119.914 -0.052 0.000 2.673 164 V HA 0.257 4.401 4.120 0.040 0.000 0.303 164 V C 0.188 176.226 176.094 -0.093 0.000 1.046 164 V CA -0.254 61.998 62.300 -0.081 0.000 1.126 164 V CB 0.225 32.018 31.823 -0.049 0.000 0.934 164 V HN 0.552 nan 8.190 nan 0.000 0.487 165 R N 6.360 126.750 120.500 -0.183 0.000 2.220 165 R HA 0.406 4.769 4.340 0.040 0.000 0.340 165 R C -0.217 176.064 176.300 -0.031 0.000 1.076 165 R CA -0.130 55.886 56.100 -0.141 0.000 0.920 165 R CB 0.525 30.654 30.300 -0.285 0.000 1.062 165 R HN 0.682 nan 8.270 nan 0.000 0.469 166 R N 1.287 121.790 120.500 0.006 0.000 2.486 166 R HA 0.369 4.733 4.340 0.040 0.000 0.286 166 R C -0.446 175.874 176.300 0.034 0.000 0.999 166 R CA -0.452 55.665 56.100 0.027 0.000 0.993 166 R CB 1.889 32.212 30.300 0.039 0.000 1.084 166 R HN 0.348 nan 8.270 nan 0.000 0.487 167 T N 2.690 117.259 114.554 0.026 0.000 2.890 167 T HA 0.273 4.647 4.350 0.040 0.000 0.295 167 T C -0.979 173.711 174.700 -0.017 0.000 0.993 167 T CA -0.631 61.477 62.100 0.013 0.000 0.979 167 T CB 1.229 70.109 68.868 0.019 0.000 0.967 167 T HN 0.286 nan 8.240 nan 0.000 0.441 168 M N 4.703 124.280 119.600 -0.039 0.000 2.061 168 M HA 0.505 5.009 4.480 0.040 0.000 0.346 168 M C -1.565 174.642 176.300 -0.155 0.000 1.112 168 M CA -0.858 54.368 55.300 -0.124 0.000 1.021 168 M CB 0.023 32.528 32.600 -0.159 0.000 1.530 168 M HN 0.484 nan 8.290 nan 0.000 0.437 169 L N 6.341 127.472 121.223 -0.153 0.000 2.360 169 L HA 0.373 4.736 4.340 0.040 0.000 0.265 169 L C -0.582 176.224 176.870 -0.106 0.000 1.066 169 L CA -0.453 54.331 54.840 -0.094 0.000 0.929 169 L CB -0.233 41.799 42.059 -0.046 0.000 1.306 169 L HN 0.679 nan 8.230 nan 0.000 0.434 170 H N 3.269 122.347 119.070 0.014 0.000 2.764 170 H HA 0.222 4.801 4.556 0.039 0.000 0.341 170 H C 0.125 175.424 175.328 -0.049 0.000 1.072 170 H CA -0.373 55.684 56.048 0.015 0.000 1.444 170 H CB 0.831 30.627 29.762 0.057 0.000 1.458 170 H HN 0.391 nan 8.280 nan 0.000 0.572 171 L N 3.057 124.311 121.223 0.052 0.000 3.671 171 L HA -0.290 4.073 4.340 0.040 0.000 0.609 171 L C -0.607 176.174 176.870 -0.149 0.000 1.251 171 L CA 0.660 55.434 54.840 -0.110 0.000 0.934 171 L CB -0.931 40.957 42.059 -0.286 0.000 1.496 171 L HN 0.894 nan 8.230 nan 0.000 0.854 172 N N 0.580 119.161 118.700 -0.198 0.000 2.184 172 N HA 0.388 5.152 4.740 0.040 0.000 0.206 172 N C 1.150 176.237 175.510 -0.705 0.000 1.151 172 N CA 0.146 52.980 53.050 -0.359 0.000 0.878 172 N CB 0.575 38.897 38.487 -0.276 0.000 1.014 172 N HN 0.865 nan 8.380 nan 0.000 0.512 173 G N 1.151 109.688 108.800 -0.440 0.000 2.569 173 G HA2 -0.346 3.638 3.960 0.040 0.000 0.259 173 G HA3 -0.346 3.638 3.960 0.040 0.000 0.259 173 G C 0.823 175.429 174.900 -0.489 0.000 1.263 173 G CA -0.013 44.838 45.100 -0.414 0.000 0.928 173 G HN 0.306 nan 8.290 nan 0.000 0.572 174 C N 0.385 119.429 119.300 -0.426 0.000 2.432 174 C HA 0.142 4.626 4.460 0.040 0.000 0.280 174 C C 2.502 177.254 174.990 -0.397 0.000 1.353 174 C CA 1.735 60.487 59.018 -0.444 0.000 1.766 174 C CB -1.955 25.501 27.740 -0.474 0.000 1.924 174 C HN 0.604 nan 8.230 nan 0.000 0.509 175 F N 0.935 120.770 119.950 -0.192 0.000 2.811 175 F HA 0.437 4.987 4.527 0.038 0.000 0.301 175 F C 1.908 177.647 175.800 -0.102 0.000 1.151 175 F CA 0.236 58.147 58.000 -0.150 0.000 1.412 175 F CB -1.106 37.817 39.000 -0.128 0.000 1.113 175 F HN 0.029 nan 8.300 nan 0.000 0.579 176 A N 1.674 124.317 122.820 -0.295 0.000 1.940 176 A HA -0.004 4.339 4.320 0.040 0.000 0.219 176 A C 2.511 180.074 177.584 -0.034 0.000 1.176 176 A CA 1.792 53.724 52.037 -0.175 0.000 0.631 176 A CB -1.584 17.279 19.000 -0.227 0.000 0.814 176 A HN 0.513 nan 8.150 nan 0.000 0.446 177 G N -0.981 107.803 108.800 -0.027 0.000 2.433 177 G HA2 -0.259 3.724 3.960 0.040 0.000 0.216 177 G HA3 -0.259 3.724 3.960 0.040 0.000 0.216 177 G C 1.603 176.517 174.900 0.023 0.000 1.186 177 G CA 1.294 46.398 45.100 0.006 0.000 0.779 177 G HN 0.522 nan 8.290 nan 0.000 0.543 178 C N 0.940 120.266 119.300 0.044 0.000 2.425 178 C HA 0.198 4.681 4.460 0.040 0.000 0.277 178 C C 3.536 178.556 174.990 0.050 0.000 1.280 178 C CA 0.728 59.773 59.018 0.045 0.000 1.744 178 C CB -0.933 26.836 27.740 0.049 0.000 1.989 178 C HN 0.569 nan 8.230 nan 0.000 0.491 179 A N 0.569 123.447 122.820 0.097 0.000 1.902 179 A HA 0.036 4.379 4.320 0.040 0.000 0.217 179 A C 2.358 179.970 177.584 0.046 0.000 1.181 179 A CA 2.101 54.198 52.037 0.099 0.000 0.623 179 A CB -0.844 18.286 19.000 0.217 0.000 0.818 179 A HN 0.572 nan 8.150 nan 0.000 0.443 180 A N -0.540 122.298 122.820 0.029 0.000 1.930 180 A HA 0.050 4.394 4.320 0.040 0.000 0.217 180 A C 2.125 179.705 177.584 -0.006 0.000 1.175 180 A CA 1.365 53.405 52.037 0.005 0.000 0.627 180 A CB -0.500 18.495 19.000 -0.007 0.000 0.815 180 A HN 0.459 nan 8.150 nan 0.000 0.443 181 L N -1.055 120.166 121.223 -0.004 0.000 2.156 181 L HA -0.092 4.272 4.340 0.040 0.000 0.208 181 L C 2.680 179.544 176.870 -0.011 0.000 1.095 181 L CA 1.330 56.161 54.840 -0.014 0.000 0.770 181 L CB -0.364 41.688 42.059 -0.013 0.000 0.914 181 L HN 0.490 nan 8.230 nan 0.000 0.439 182 R N 0.219 120.719 120.500 -0.000 0.000 2.081 182 R HA -0.197 4.167 4.340 0.040 0.000 0.235 182 R C 2.233 178.526 176.300 -0.012 0.000 1.131 182 R CA 1.427 57.526 56.100 -0.001 0.000 0.960 182 R CB -0.166 30.134 30.300 0.001 0.000 0.856 182 R HN 0.144 nan 8.270 nan 0.000 0.436 183 L N 0.828 122.043 121.223 -0.013 0.000 2.046 183 L HA -0.053 4.310 4.340 0.040 0.000 0.208 183 L C 2.514 179.358 176.870 -0.044 0.000 1.077 183 L CA 2.099 56.926 54.840 -0.021 0.000 0.747 183 L CB -0.993 41.059 42.059 -0.011 0.000 0.896 183 L HN 0.357 nan 8.230 nan 0.000 0.432 184 A N -0.903 121.889 122.820 -0.047 0.000 1.972 184 A HA -0.258 4.086 4.320 0.040 0.000 0.219 184 A C 2.413 179.948 177.584 -0.081 0.000 1.169 184 A CA 1.822 53.814 52.037 -0.075 0.000 0.635 184 A CB -0.518 18.442 19.000 -0.067 0.000 0.810 184 A HN 0.429 nan 8.150 nan 0.000 0.446 185 K N -0.314 120.056 120.400 -0.051 0.000 2.020 185 K HA -0.249 4.095 4.320 0.040 0.000 0.212 185 K C 1.298 177.866 176.600 -0.053 0.000 1.050 185 K CA 2.008 58.271 56.287 -0.040 0.000 0.929 185 K CB -0.293 32.197 32.500 -0.016 0.000 0.714 185 K HN 0.361 nan 8.250 nan 0.000 0.443 186 D N 0.841 121.210 120.400 -0.052 0.000 2.117 186 D HA -0.115 4.548 4.640 0.040 0.000 0.198 186 D C 2.076 178.320 176.300 -0.093 0.000 0.982 186 D CA 0.995 54.963 54.000 -0.054 0.000 0.828 186 D CB -0.177 40.600 40.800 -0.037 0.000 0.967 186 D HN 0.259 nan 8.370 nan 0.000 0.464 187 L N 0.642 121.778 121.223 -0.145 0.000 2.042 187 L HA -0.157 4.207 4.340 0.040 0.000 0.210 187 L C 2.526 179.198 176.870 -0.330 0.000 1.076 187 L CA 1.289 55.951 54.840 -0.297 0.000 0.749 187 L CB -0.589 41.208 42.059 -0.437 0.000 0.893 187 L HN -0.019 nan 8.230 nan 0.000 0.432 188 A N -0.130 122.558 122.820 -0.219 0.000 1.930 188 A HA -0.177 4.167 4.320 0.040 0.000 0.217 188 A C 2.167 179.702 177.584 -0.081 0.000 1.175 188 A CA 1.462 53.412 52.037 -0.145 0.000 0.627 188 A CB -0.326 18.614 19.000 -0.100 0.000 0.815 188 A HN 0.450 nan 8.150 nan 0.000 0.443 189 E N -0.934 119.226 120.200 -0.066 0.000 2.299 189 E HA -0.079 4.295 4.350 0.040 0.000 0.193 189 E C 1.269 177.853 176.600 -0.027 0.000 0.998 189 E CA 0.572 56.952 56.400 -0.034 0.000 0.851 189 E CB -0.049 29.636 29.700 -0.025 0.000 0.795 189 E HN 0.571 nan 8.360 nan 0.000 0.492 190 N N -0.119 118.557 118.700 -0.040 0.000 2.412 190 N HA 0.009 4.773 4.740 0.040 0.000 0.184 190 N C -0.986 174.525 175.510 0.001 0.000 1.101 190 N CA 0.158 53.197 53.050 -0.019 0.000 0.881 190 N CB 0.630 39.105 38.487 -0.020 0.000 0.969 190 N HN -0.164 nan 8.380 nan 0.000 0.459 191 S N -0.306 115.396 115.700 0.002 0.000 2.614 191 S HA 0.289 4.783 4.470 0.040 0.000 0.288 191 S C -0.668 173.954 174.600 0.036 0.000 1.137 191 S CA -0.839 57.384 58.200 0.037 0.000 0.992 191 S CB 2.365 65.620 63.200 0.091 0.000 1.026 191 S HN 0.203 nan 8.310 nan 0.000 0.486 192 R N 1.296 121.818 120.500 0.037 0.000 2.522 192 R HA 0.365 4.729 4.340 0.040 0.000 0.284 192 R C 1.305 177.636 176.300 0.051 0.000 1.032 192 R CA 1.626 57.748 56.100 0.037 0.000 1.049 192 R CB -0.261 30.058 30.300 0.031 0.000 0.956 192 R HN 1.104 nan 8.270 nan 0.000 0.422 193 G N 2.175 111.008 108.800 0.055 0.000 2.184 193 G HA2 -0.352 3.631 3.960 0.040 0.000 0.264 193 G HA3 -0.352 3.631 3.960 0.040 0.000 0.264 193 G C 0.200 175.158 174.900 0.097 0.000 0.975 193 G CA 0.175 45.320 45.100 0.076 0.000 0.642 193 G HN 0.965 nan 8.290 nan 0.000 0.536 194 A N 0.216 123.087 122.820 0.084 0.000 2.540 194 A HA 0.563 4.906 4.320 0.040 0.000 0.239 194 A C 0.709 178.336 177.584 0.071 0.000 1.061 194 A CA 0.558 52.660 52.037 0.108 0.000 0.758 194 A CB 0.229 19.250 19.000 0.036 0.000 0.991 194 A HN 0.406 nan 8.150 nan 0.000 0.502 195 R N 2.122 122.681 120.500 0.099 0.000 2.473 195 R HA 0.414 4.778 4.340 0.040 0.000 0.303 195 R C -1.535 174.733 176.300 -0.053 0.000 1.002 195 R CA -0.518 55.571 56.100 -0.018 0.000 0.884 195 R CB 1.387 31.712 30.300 0.041 0.000 1.173 195 R HN 0.451 nan 8.270 nan 0.000 0.464 196 V N 4.434 124.272 119.914 -0.126 0.000 2.394 196 V HA 0.318 4.462 4.120 0.040 0.000 0.282 196 V C 0.036 176.033 176.094 -0.160 0.000 1.031 196 V CA -0.968 61.281 62.300 -0.085 0.000 0.881 196 V CB 1.636 33.400 31.823 -0.099 0.000 0.982 196 V HN 0.461 nan 8.190 nan 0.000 0.451 197 L N 7.196 128.349 121.223 -0.116 0.000 2.265 197 L HA 0.566 4.930 4.340 0.040 0.000 0.288 197 L C -0.298 176.526 176.870 -0.077 0.000 1.058 197 L CA 0.345 55.109 54.840 -0.125 0.000 0.809 197 L CB 1.315 43.318 42.059 -0.093 0.000 1.179 197 L HN 0.456 nan 8.230 nan 0.000 0.429 198 V N 6.165 126.028 119.914 -0.084 0.000 2.417 198 V HA 0.571 4.715 4.120 0.040 0.000 0.291 198 V C -0.397 175.665 176.094 -0.053 0.000 1.024 198 V CA -0.626 61.639 62.300 -0.058 0.000 0.861 198 V CB 1.679 33.468 31.823 -0.057 0.000 0.985 198 V HN 0.539 nan 8.190 nan 0.000 0.436 199 V N 3.602 123.493 119.914 -0.039 0.000 2.588 199 V HA 0.869 5.013 4.120 0.040 0.000 0.304 199 V C 0.118 176.201 176.094 -0.019 0.000 1.042 199 V CA -0.603 61.678 62.300 -0.031 0.000 0.877 199 V CB 1.761 33.568 31.823 -0.027 0.000 0.996 199 V HN 0.975 nan 8.190 nan 0.000 0.425 200 A N 3.465 126.282 122.820 -0.005 0.000 2.342 200 A HA 1.017 5.361 4.320 0.040 0.000 0.323 200 A C -0.220 177.385 177.584 0.034 0.000 1.125 200 A CA -0.191 51.852 52.037 0.009 0.000 0.785 200 A CB 1.630 20.639 19.000 0.015 0.000 1.221 200 A HN 1.563 nan 8.150 nan 0.000 0.463 201 A N 1.502 124.342 122.820 0.033 0.000 2.498 201 A HA 0.866 5.210 4.320 0.040 0.000 0.298 201 A C -0.907 176.709 177.584 0.053 0.000 1.075 201 A CA -0.458 51.609 52.037 0.050 0.000 0.714 201 A CB 1.704 20.726 19.000 0.036 0.000 1.299 201 A HN 1.068 nan 8.150 nan 0.000 0.407 202 E N 0.596 120.838 120.200 0.070 0.000 2.291 202 E HA 0.593 4.967 4.350 0.040 0.000 0.276 202 E C -2.326 174.346 176.600 0.122 0.000 0.896 202 E CA -0.380 56.073 56.400 0.089 0.000 0.774 202 E CB 1.443 31.193 29.700 0.082 0.000 1.227 202 E HN 0.392 nan 8.360 nan 0.000 0.413 203 L N 4.397 125.697 121.223 0.128 0.000 2.343 203 L HA 0.385 4.749 4.340 0.040 0.000 0.278 203 L C 1.120 178.124 176.870 0.224 0.000 0.996 203 L CA -0.216 54.726 54.840 0.169 0.000 0.831 203 L CB 1.539 43.656 42.059 0.096 0.000 1.232 203 L HN 0.907 nan 8.230 nan 0.000 0.413 204 T N -0.311 114.474 114.554 0.385 0.000 3.072 204 T HA -0.086 4.287 4.350 0.040 0.000 0.266 204 T C 1.677 176.594 174.700 0.361 0.000 1.127 204 T CA 0.823 63.262 62.100 0.564 0.000 1.107 204 T CB -0.419 68.838 68.868 0.648 0.000 0.910 204 T HN 0.467 nan 8.240 nan 0.000 0.513 205 L N -1.192 120.137 121.223 0.177 0.000 2.261 205 L HA 0.106 4.470 4.340 0.040 0.000 0.216 205 L C 2.243 179.015 176.870 -0.163 0.000 1.114 205 L CA 1.304 56.084 54.840 -0.099 0.000 0.777 205 L CB -1.283 40.767 42.059 -0.015 0.000 0.910 205 L HN 0.032 nan 8.230 nan 0.000 0.440 206 M N -0.637 118.850 119.600 -0.188 0.000 2.202 206 M HA -0.149 4.355 4.480 0.040 0.000 0.262 206 M C 2.095 178.198 176.300 -0.329 0.000 1.063 206 M CA 1.835 56.931 55.300 -0.339 0.000 1.097 206 M CB -1.183 31.157 32.600 -0.433 0.000 1.382 206 M HN 0.459 nan 8.290 nan 0.000 0.413 207 Y N -2.294 118.031 120.300 0.043 0.000 2.509 207 Y HA 0.173 4.747 4.550 0.041 0.000 0.270 207 Y C 0.840 176.743 175.900 0.005 0.000 1.103 207 Y CA -1.048 57.075 58.100 0.038 0.000 1.278 207 Y CB -0.494 38.017 38.460 0.084 0.000 1.087 207 Y HN -0.055 nan 8.280 nan 0.000 0.542 208 F N 2.199 122.169 119.950 0.032 0.000 2.593 208 F HA 0.202 4.751 4.527 0.038 0.000 0.393 208 F C 0.558 176.365 175.800 0.012 0.000 1.037 208 F CA 0.841 58.844 58.000 0.006 0.000 1.195 208 F CB 0.331 39.242 39.000 -0.149 0.000 1.034 208 F HN -0.075 nan 8.300 nan 0.000 0.552 209 T N 3.561 117.831 114.554 -0.473 0.000 2.711 209 T HA 0.550 4.924 4.350 0.040 0.000 0.302 209 T C -0.073 174.400 174.700 -0.378 0.000 1.373 209 T CA -0.179 61.755 62.100 -0.276 0.000 1.000 209 T CB 0.651 69.465 68.868 -0.090 0.000 1.483 209 T HN 0.853 nan 8.240 nan 0.000 0.499 210 G N 1.634 110.299 108.800 -0.225 0.000 2.664 210 G HA2 0.482 4.466 3.960 0.040 0.000 0.242 210 G HA3 0.482 4.466 3.960 0.040 0.000 0.242 210 G C -2.585 172.209 174.900 -0.176 0.000 1.225 210 G CA -0.760 44.184 45.100 -0.260 0.000 0.849 210 G HN 0.549 nan 8.290 nan 0.000 0.581 211 P HA 0.112 nan 4.420 nan 0.000 0.268 211 P C -0.519 176.751 177.300 -0.050 0.000 1.205 211 P CA -0.123 62.904 63.100 -0.122 0.000 0.771 211 P CB 0.675 32.242 31.700 -0.222 0.000 0.858 212 D N 1.495 121.894 120.400 -0.002 0.000 2.354 212 D HA 0.123 4.787 4.640 0.040 0.000 0.247 212 D C 0.414 176.757 176.300 0.070 0.000 1.138 212 D CA -0.262 53.747 54.000 0.016 0.000 0.958 212 D CB 0.528 41.323 40.800 -0.008 0.000 1.144 212 D HN 0.238 nan 8.370 nan 0.000 0.458 213 E N -0.511 119.705 120.200 0.027 0.000 2.585 213 E HA 0.273 4.647 4.350 0.040 0.000 0.206 213 E C 0.327 176.902 176.600 -0.043 0.000 1.007 213 E CA -0.343 56.079 56.400 0.037 0.000 1.028 213 E CB 0.802 30.521 29.700 0.032 0.000 1.087 213 E HN 0.610 nan 8.360 nan 0.000 0.455 214 G N -0.254 108.470 108.800 -0.128 0.000 3.135 214 G HA2 0.180 4.164 3.960 0.040 0.000 0.159 214 G HA3 0.180 4.164 3.960 0.040 0.000 0.159 214 G C -0.263 174.301 174.900 -0.560 0.000 1.244 214 G CA -0.395 44.562 45.100 -0.237 0.000 0.965 214 G HN 0.219 nan 8.290 nan 0.000 0.599 215 C N 0.759 119.758 119.300 -0.501 0.000 2.634 215 C HA 0.254 4.738 4.460 0.040 0.000 0.418 215 C C -0.070 174.626 174.990 -0.490 0.000 1.373 215 C CA -0.296 58.331 59.018 -0.652 0.000 1.756 215 C CB -1.783 25.777 27.740 -0.300 0.000 2.589 215 C HN 0.333 nan 8.230 nan 0.000 0.602 216 F N 3.807 123.750 119.950 -0.012 0.000 2.619 216 F HA 0.222 4.772 4.527 0.039 0.000 0.350 216 F C 1.507 177.272 175.800 -0.058 0.000 1.259 216 F CA -0.362 57.622 58.000 -0.026 0.000 1.204 216 F CB -0.332 38.676 39.000 0.012 0.000 1.556 216 F HN 0.652 nan 8.300 nan 0.000 0.650 217 R N -1.016 119.488 120.500 0.007 0.000 2.156 217 R HA -0.002 4.362 4.340 0.040 0.000 0.207 217 R C 1.365 177.592 176.300 -0.121 0.000 1.040 217 R CA 1.019 57.085 56.100 -0.056 0.000 1.013 217 R CB -0.596 29.663 30.300 -0.069 0.000 0.931 217 R HN 0.311 nan 8.270 nan 0.000 0.465 218 T N 1.652 116.137 114.554 -0.115 0.000 2.777 218 T HA 0.017 4.391 4.350 0.040 0.000 0.266 218 T C 1.712 176.232 174.700 -0.299 0.000 1.040 218 T CA 1.345 63.327 62.100 -0.196 0.000 1.141 218 T CB -0.126 68.646 68.868 -0.161 0.000 0.868 218 T HN 0.129 nan 8.240 nan 0.000 0.444 219 L N 0.241 121.329 121.223 -0.225 0.000 2.131 219 L HA -0.061 4.302 4.340 0.040 0.000 0.210 219 L C 2.381 179.238 176.870 -0.021 0.000 1.092 219 L CA 0.623 55.307 54.840 -0.261 0.000 0.759 219 L CB -0.474 41.537 42.059 -0.081 0.000 0.903 219 L HN 0.223 nan 8.230 nan 0.000 0.435 220 L N -0.675 120.516 121.223 -0.053 0.000 2.017 220 L HA -0.171 4.193 4.340 0.040 0.000 0.208 220 L C 2.406 179.096 176.870 -0.300 0.000 1.073 220 L CA 1.486 56.267 54.840 -0.098 0.000 0.745 220 L CB -0.397 41.600 42.059 -0.102 0.000 0.894 220 L HN -0.076 nan 8.230 nan 0.000 0.432 221 V N -0.710 118.910 119.914 -0.489 0.000 2.343 221 V HA -0.298 3.845 4.120 0.040 0.000 0.247 221 V C 2.581 178.405 176.094 -0.450 0.000 1.051 221 V CA 1.513 63.297 62.300 -0.860 0.000 1.036 221 V CB -0.589 30.792 31.823 -0.736 0.000 0.654 221 V HN 0.509 nan 8.190 nan 0.000 0.451 222 Q N 0.185 119.814 119.800 -0.284 0.000 2.170 222 Q HA -0.102 4.261 4.340 0.040 0.000 0.203 222 Q C 2.323 178.397 176.000 0.122 0.000 0.976 222 Q CA 1.783 57.510 55.803 -0.126 0.000 0.858 222 Q CB -0.764 27.624 28.738 -0.585 0.000 0.907 222 Q HN 0.682 nan 8.270 nan 0.000 0.433 223 G N -0.459 108.421 108.800 0.132 0.000 2.551 223 G HA2 0.002 3.986 3.960 0.040 0.000 0.216 223 G HA3 0.002 3.986 3.960 0.040 0.000 0.216 223 G C 1.281 176.198 174.900 0.028 0.000 1.137 223 G CA 0.143 45.283 45.100 0.066 0.000 0.798 223 G HN 0.259 nan 8.290 nan 0.000 0.536 224 L N -1.087 120.154 121.223 0.029 0.000 2.547 224 L HA 0.539 4.903 4.340 0.040 0.000 0.218 224 L C -0.267 176.828 176.870 0.374 0.000 1.048 224 L CA 0.053 54.978 54.840 0.143 0.000 0.859 224 L CB 0.327 42.462 42.059 0.125 0.000 1.128 224 L HN -0.071 nan 8.230 nan 0.000 0.483 225 F N -0.214 119.744 119.950 0.013 0.000 2.399 225 F HA 0.683 5.232 4.527 0.037 0.000 0.334 225 F C 0.926 176.782 175.800 0.093 0.000 1.097 225 F CA -1.348 56.670 58.000 0.030 0.000 1.076 225 F CB 0.687 39.673 39.000 -0.024 0.000 1.162 225 F HN -0.035 nan 8.300 nan 0.000 0.495 226 G N 1.055 110.009 108.800 0.257 0.000 2.949 226 G HA2 0.542 4.526 3.960 0.040 0.000 0.285 226 G HA3 0.542 4.526 3.960 0.040 0.000 0.285 226 G C -1.777 173.243 174.900 0.200 0.000 1.395 226 G CA -0.750 44.482 45.100 0.220 0.000 0.901 226 G HN 0.358 nan 8.290 nan 0.000 0.519 227 D N -0.874 119.654 120.400 0.212 0.000 2.198 227 D HA 0.711 5.375 4.640 0.040 0.000 0.247 227 D C 0.407 176.783 176.300 0.128 0.000 1.010 227 D CA 0.263 54.375 54.000 0.187 0.000 0.880 227 D CB 1.795 42.733 40.800 0.230 0.000 1.209 227 D HN 0.795 nan 8.370 nan 0.000 0.451 228 G N -1.022 107.835 108.800 0.094 0.000 2.451 228 G HA2 0.653 4.637 3.960 0.040 0.000 0.292 228 G HA3 0.653 4.637 3.960 0.040 0.000 0.292 228 G C -1.951 173.044 174.900 0.159 0.000 1.427 228 G CA -0.477 44.692 45.100 0.114 0.000 0.792 228 G HN 0.576 nan 8.290 nan 0.000 0.498 229 A N -1.059 121.890 122.820 0.215 0.000 2.449 229 A HA 1.035 5.379 4.320 0.040 0.000 0.302 229 A C -0.289 177.352 177.584 0.095 0.000 1.048 229 A CA 0.103 52.223 52.037 0.137 0.000 0.708 229 A CB 1.676 20.709 19.000 0.055 0.000 1.274 229 A HN 2.416 nan 8.150 nan 0.000 0.410 230 A N 0.689 123.528 122.820 0.032 0.000 2.371 230 A HA 0.895 5.239 4.320 0.040 0.000 0.311 230 A C -0.224 177.305 177.584 -0.092 0.000 1.068 230 A CA 0.059 52.014 52.037 -0.136 0.000 0.744 230 A CB 1.349 20.255 19.000 -0.158 0.000 1.239 230 A HN 2.397 nan 8.150 nan 0.000 0.435 231 A N 1.467 124.214 122.820 -0.123 0.000 2.355 231 A HA 0.765 5.108 4.320 0.040 0.000 0.317 231 A C -0.930 176.591 177.584 -0.104 0.000 1.094 231 A CA -0.503 51.479 52.037 -0.093 0.000 0.764 231 A CB 1.303 20.257 19.000 -0.078 0.000 1.230 231 A HN 1.350 nan 8.150 nan 0.000 0.448 232 V N 3.435 123.289 119.914 -0.100 0.000 2.709 232 V HA 0.411 4.555 4.120 0.040 0.000 0.308 232 V C -0.702 175.296 176.094 -0.160 0.000 1.062 232 V CA -0.584 61.651 62.300 -0.109 0.000 0.901 232 V CB 1.776 33.549 31.823 -0.084 0.000 1.003 232 V HN 0.744 nan 8.190 nan 0.000 0.425 233 I N 4.589 125.025 120.570 -0.224 0.000 2.315 233 I HA 0.464 4.657 4.170 0.040 0.000 0.291 233 I C -0.227 175.708 176.117 -0.303 0.000 1.006 233 I CA -0.331 60.733 61.300 -0.394 0.000 1.265 233 I CB 1.578 39.137 38.000 -0.736 0.000 1.387 233 I HN 0.290 nan 8.210 nan 0.000 0.475 234 V N 5.361 125.117 119.914 -0.262 0.000 2.495 234 V HA 0.907 5.051 4.120 0.040 0.000 0.298 234 V C 0.318 176.321 176.094 -0.152 0.000 1.031 234 V CA -0.441 61.764 62.300 -0.159 0.000 0.871 234 V CB 1.825 33.583 31.823 -0.108 0.000 0.988 234 V HN 0.967 nan 8.190 nan 0.000 0.432 235 G N 2.570 111.316 108.800 -0.090 0.000 2.732 235 G HA2 0.723 4.707 3.960 0.040 0.000 0.296 235 G HA3 0.723 4.707 3.960 0.040 0.000 0.296 235 G C -0.970 173.928 174.900 -0.003 0.000 1.448 235 G CA -0.038 45.036 45.100 -0.043 0.000 0.911 235 G HN 1.023 nan 8.290 nan 0.000 0.528 236 A N 1.055 123.879 122.820 0.006 0.000 2.264 236 A HA 0.725 5.069 4.320 0.040 0.000 0.304 236 A C 0.167 177.771 177.584 0.035 0.000 1.100 236 A CA -0.008 52.040 52.037 0.018 0.000 0.839 236 A CB 0.274 19.279 19.000 0.010 0.000 1.121 236 A HN 1.162 nan 8.150 nan 0.000 0.496 237 D N -0.882 119.539 120.400 0.034 0.000 2.828 237 D HA -0.128 4.535 4.640 0.040 0.000 0.241 237 D C 0.315 176.645 176.300 0.050 0.000 1.142 237 D CA 1.271 55.293 54.000 0.037 0.000 0.755 237 D CB -1.746 39.074 40.800 0.032 0.000 1.014 237 D HN 1.093 nan 8.370 nan 0.000 0.420 238 A N 1.525 124.377 122.820 0.053 0.000 2.540 238 A HA 0.311 4.655 4.320 0.040 0.000 0.239 238 A C 0.917 178.533 177.584 0.054 0.000 1.061 238 A CA 0.389 52.467 52.037 0.069 0.000 0.758 238 A CB 0.492 19.529 19.000 0.061 0.000 0.991 238 A HN 0.430 nan 8.150 nan 0.000 0.502 239 D N 1.108 121.543 120.400 0.060 0.000 2.469 239 D HA 0.146 4.809 4.640 0.040 0.000 0.278 239 D C 0.405 176.716 176.300 0.017 0.000 1.231 239 D CA -0.182 53.837 54.000 0.032 0.000 1.075 239 D CB 0.198 41.012 40.800 0.024 0.000 1.121 239 D HN 0.401 nan 8.370 nan 0.000 0.571 240 D N -0.911 119.489 120.400 0.000 0.000 2.123 240 D HA -0.118 4.545 4.640 0.040 0.000 0.196 240 D C 2.022 178.313 176.300 -0.016 0.000 0.992 240 D CA 0.994 54.989 54.000 -0.009 0.000 0.833 240 D CB -0.120 40.671 40.800 -0.015 0.000 0.954 240 D HN 0.137 nan 8.370 nan 0.000 0.455 241 V N 0.990 120.886 119.914 -0.030 0.000 2.719 241 V HA -0.102 4.041 4.120 0.040 0.000 0.252 241 V C 0.915 176.995 176.094 -0.022 0.000 1.065 241 V CA 0.902 63.174 62.300 -0.047 0.000 1.086 241 V CB -0.172 31.593 31.823 -0.097 0.000 0.700 241 V HN 0.125 nan 8.190 nan 0.000 0.467 242 E N 0.539 120.749 120.200 0.016 0.000 2.373 242 E HA 0.326 4.700 4.350 0.040 0.000 0.263 242 E C -0.133 176.505 176.600 0.063 0.000 1.073 242 E CA -0.350 56.104 56.400 0.090 0.000 0.894 242 E CB 0.547 30.349 29.700 0.171 0.000 1.008 242 E HN 0.092 nan 8.360 nan 0.000 0.420 243 R N 2.667 123.213 120.500 0.075 0.000 2.576 243 R HA 0.290 4.654 4.340 0.040 0.000 0.283 243 R C -2.664 173.639 176.300 0.006 0.000 1.493 243 R CA -2.109 54.004 56.100 0.022 0.000 1.170 243 R CB 0.918 31.221 30.300 0.004 0.000 1.189 243 R HN 0.362 nan 8.270 nan 0.000 0.542 244 P HA 0.129 nan 4.420 nan 0.000 0.268 244 P C 0.600 177.831 177.300 -0.115 0.000 1.204 244 P CA -0.092 62.991 63.100 -0.028 0.000 0.768 244 P CB 0.908 32.598 31.700 -0.016 0.000 0.842 245 L N 1.577 122.714 121.223 -0.143 0.000 2.388 245 L HA 0.277 4.641 4.340 0.040 0.000 0.209 245 L C 0.187 176.581 176.870 -0.792 0.000 1.061 245 L CA 0.734 55.319 54.840 -0.425 0.000 0.834 245 L CB -0.020 41.867 42.059 -0.286 0.000 1.029 245 L HN 0.286 nan 8.230 nan 0.000 0.473 246 F N -0.904 119.023 119.950 -0.039 0.000 2.615 246 F HA 0.323 4.871 4.527 0.035 0.000 0.312 246 F C -0.382 175.431 175.800 0.021 0.000 1.119 246 F CA -0.933 57.062 58.000 -0.009 0.000 0.979 246 F CB 1.432 40.447 39.000 0.026 0.000 1.266 246 F HN -0.222 nan 8.300 nan 0.000 0.444 247 E N 3.180 123.516 120.200 0.226 0.000 2.266 247 E HA 0.493 4.867 4.350 0.040 0.000 0.277 247 E C -0.758 175.938 176.600 0.161 0.000 1.018 247 E CA -0.646 55.858 56.400 0.173 0.000 0.840 247 E CB 1.932 31.740 29.700 0.180 0.000 1.082 247 E HN 0.444 nan 8.360 nan 0.000 0.395 248 I N 3.541 124.168 120.570 0.094 0.000 2.281 248 I HA 0.018 4.212 4.170 0.040 0.000 0.293 248 I C 1.024 177.161 176.117 0.033 0.000 1.085 248 I CA -0.254 61.078 61.300 0.053 0.000 1.257 248 I CB 0.716 38.735 38.000 0.031 0.000 1.430 248 I HN 0.424 nan 8.210 nan 0.000 0.489 249 V N 3.484 123.405 119.914 0.013 0.000 2.346 249 V HA -0.068 4.076 4.120 0.040 0.000 0.244 249 V C 0.962 177.059 176.094 0.004 0.000 1.037 249 V CA 1.139 63.432 62.300 -0.010 0.000 1.029 249 V CB 0.009 31.800 31.823 -0.054 0.000 0.663 249 V HN 0.783 nan 8.190 nan 0.000 0.454 250 S N -1.225 114.486 115.700 0.018 0.000 2.533 250 S HA 0.759 5.253 4.470 0.040 0.000 0.271 250 S C -1.179 173.542 174.600 0.202 0.000 1.143 250 S CA 0.016 58.288 58.200 0.120 0.000 0.891 250 S CB 1.770 65.104 63.200 0.224 0.000 1.105 250 S HN 0.571 nan 8.310 nan 0.000 0.468 251 A N 2.347 125.268 122.820 0.169 0.000 2.343 251 A HA 0.968 5.311 4.320 0.040 0.000 0.308 251 A C -0.205 177.414 177.584 0.058 0.000 1.092 251 A CA -0.152 51.967 52.037 0.138 0.000 0.751 251 A CB 1.130 20.163 19.000 0.055 0.000 1.203 251 A HN 1.525 nan 8.150 nan 0.000 0.452 252 A N 1.639 124.449 122.820 -0.017 0.000 2.530 252 A HA 0.932 5.276 4.320 0.040 0.000 0.288 252 A C -0.776 176.679 177.584 -0.214 0.000 1.172 252 A CA -0.583 51.336 52.037 -0.198 0.000 0.733 252 A CB 1.702 20.413 19.000 -0.481 0.000 1.320 252 A HN 0.970 nan 8.150 nan 0.000 0.419 253 Q N -0.532 119.124 119.800 -0.241 0.000 2.386 253 Q HA 0.612 4.976 4.340 0.040 0.000 0.274 253 Q C -1.417 174.438 176.000 -0.241 0.000 1.011 253 Q CA -0.313 55.339 55.803 -0.252 0.000 0.867 253 Q CB 2.405 31.003 28.738 -0.233 0.000 1.409 253 Q HN 1.015 nan 8.270 nan 0.000 0.395 254 T N 1.764 116.167 114.554 -0.251 0.000 2.731 254 T HA 0.667 5.040 4.350 0.040 0.000 0.300 254 T C -1.676 172.919 174.700 -0.175 0.000 1.283 254 T CA -0.393 61.593 62.100 -0.190 0.000 1.005 254 T CB 1.194 69.966 68.868 -0.160 0.000 1.420 254 T HN 0.496 nan 8.240 nan 0.000 0.503 255 I N 2.024 122.526 120.570 -0.113 0.000 2.509 255 I HA 0.498 4.692 4.170 0.040 0.000 0.293 255 I C -0.344 175.757 176.117 -0.027 0.000 1.020 255 I CA -0.986 60.268 61.300 -0.078 0.000 1.088 255 I CB 1.924 39.883 38.000 -0.067 0.000 1.267 255 I HN 0.532 nan 8.210 nan 0.000 0.430 256 I N 7.741 128.316 120.570 0.009 0.000 2.379 256 I HA 0.214 4.408 4.170 0.040 0.000 0.290 256 I C -2.058 174.073 176.117 0.022 0.000 1.063 256 I CA -1.656 59.664 61.300 0.033 0.000 1.351 256 I CB 0.381 38.422 38.000 0.067 0.000 1.410 256 I HN 0.205 nan 8.210 nan 0.000 0.505 257 P HA 0.001 nan 4.420 nan 0.000 0.268 257 P C -0.317 177.009 177.300 0.043 0.000 1.208 257 P CA -0.045 63.069 63.100 0.023 0.000 0.777 257 P CB 0.287 31.997 31.700 0.018 0.000 0.875 258 E N -0.281 119.953 120.200 0.056 0.000 2.360 258 E HA -0.197 4.177 4.350 0.040 0.000 0.238 258 E C -0.168 176.535 176.600 0.173 0.000 1.186 258 E CA 0.862 57.322 56.400 0.100 0.000 0.719 258 E CB -2.029 27.716 29.700 0.076 0.000 1.236 258 E HN 0.580 nan 8.360 nan 0.000 0.386 259 S N -1.758 114.008 115.700 0.109 0.000 3.009 259 S HA 0.033 4.527 4.470 0.040 0.000 0.254 259 S C 0.884 175.443 174.600 -0.068 0.000 1.004 259 S CA -0.031 58.158 58.200 -0.017 0.000 1.119 259 S CB 0.421 63.604 63.200 -0.029 0.000 1.075 259 S HN 0.286 nan 8.310 nan 0.000 0.618 260 D N 2.347 122.784 120.400 0.061 0.000 2.269 260 D HA -0.221 4.443 4.640 0.040 0.000 0.208 260 D C 1.715 178.043 176.300 0.047 0.000 0.963 260 D CA 1.238 55.269 54.000 0.050 0.000 0.864 260 D CB -0.936 39.907 40.800 0.072 0.000 0.936 260 D HN 0.791 nan 8.370 nan 0.000 0.505 261 H N 0.497 119.578 119.070 0.017 0.000 2.495 261 H HA 0.300 4.881 4.556 0.041 0.000 0.287 261 H C 1.648 176.986 175.328 0.015 0.000 1.033 261 H CA 1.022 57.078 56.048 0.013 0.000 1.307 261 H CB -0.286 29.480 29.762 0.007 0.000 1.401 261 H HN 0.210 nan 8.280 nan 0.000 0.555 262 A N 0.935 123.430 122.820 -0.543 0.000 2.067 262 A HA 0.271 4.615 4.320 0.040 0.000 0.217 262 A C 0.795 178.304 177.584 -0.124 0.000 1.156 262 A CA 0.474 52.299 52.037 -0.353 0.000 0.683 262 A CB 0.003 18.771 19.000 -0.388 0.000 0.808 262 A HN 0.356 nan 8.150 nan 0.000 0.455 263 L N 0.194 121.375 121.223 -0.070 0.000 2.641 263 L HA 0.511 4.875 4.340 0.040 0.000 0.261 263 L C -1.720 175.164 176.870 0.024 0.000 0.926 263 L CA -0.322 54.518 54.840 -0.001 0.000 0.917 263 L CB 1.767 43.839 42.059 0.022 0.000 1.361 263 L HN 0.471 nan 8.230 nan 0.000 0.417 264 N N 3.684 122.406 118.700 0.036 0.000 3.127 264 N HA 0.819 5.583 4.740 0.040 0.000 0.239 264 N C -1.430 174.105 175.510 0.042 0.000 1.407 264 N CA -0.718 52.355 53.050 0.038 0.000 0.891 264 N CB 1.256 39.763 38.487 0.034 0.000 1.447 264 N HN 0.634 nan 8.380 nan 0.000 0.507 265 M N -1.553 118.062 119.600 0.025 0.000 2.520 265 M HA 0.696 5.200 4.480 0.040 0.000 0.280 265 M C -1.767 174.513 176.300 -0.034 0.000 1.232 265 M CA -0.757 54.560 55.300 0.028 0.000 0.892 265 M CB 3.240 35.877 32.600 0.061 0.000 1.728 265 M HN 0.856 nan 8.290 nan 0.000 0.475 266 R N 1.048 121.529 120.500 -0.033 0.000 2.692 266 R HA 0.606 4.969 4.340 0.040 0.000 0.269 266 R C -2.091 174.198 176.300 -0.018 0.000 1.030 266 R CA -0.835 55.210 56.100 -0.091 0.000 0.882 266 R CB 1.386 31.671 30.300 -0.025 0.000 1.250 266 R HN 0.744 nan 8.270 nan 0.000 0.465 267 F N 1.488 121.424 119.950 -0.024 0.000 2.471 267 F HA 0.239 4.789 4.527 0.039 0.000 0.353 267 F C 1.178 176.958 175.800 -0.033 0.000 1.113 267 F CA 0.378 58.351 58.000 -0.046 0.000 1.262 267 F CB 1.594 40.553 39.000 -0.069 0.000 1.146 267 F HN 0.691 nan 8.300 nan 0.000 0.578 268 T N -1.196 113.466 114.554 0.179 0.000 2.907 268 T HA 0.272 4.646 4.350 0.040 0.000 0.290 268 T C 0.625 175.338 174.700 0.021 0.000 1.066 268 T CA -0.850 61.298 62.100 0.079 0.000 1.012 268 T CB 1.674 70.574 68.868 0.054 0.000 1.184 268 T HN 0.623 nan 8.240 nan 0.000 0.522 269 E N 0.107 120.311 120.200 0.007 0.000 2.171 269 E HA -0.178 4.196 4.350 0.040 0.000 0.197 269 E C 2.129 178.719 176.600 -0.017 0.000 0.997 269 E CA 1.385 57.778 56.400 -0.012 0.000 0.810 269 E CB -0.097 29.603 29.700 -0.001 0.000 0.738 269 E HN 0.522 nan 8.360 nan 0.000 0.467 270 R N -0.085 120.412 120.500 -0.005 0.000 2.189 270 R HA 0.143 4.506 4.340 0.040 0.000 0.203 270 R C 0.626 176.905 176.300 -0.035 0.000 1.012 270 R CA 0.504 56.602 56.100 -0.004 0.000 1.015 270 R CB 0.180 30.485 30.300 0.010 0.000 0.938 270 R HN 0.096 nan 8.270 nan 0.000 0.472 271 R N -1.506 118.970 120.500 -0.040 0.000 3.452 271 R HA 0.025 4.389 4.340 0.040 0.000 0.279 271 R C -1.907 174.404 176.300 0.017 0.000 0.955 271 R CA -0.956 55.106 56.100 -0.062 0.000 0.835 271 R CB -0.122 30.154 30.300 -0.039 0.000 1.357 271 R HN -0.072 nan 8.270 nan 0.000 0.536 272 L N 2.122 123.353 121.223 0.014 0.000 2.418 272 L HA 0.402 4.765 4.340 0.040 0.000 0.274 272 L C -0.678 176.297 176.870 0.175 0.000 1.135 272 L CA 0.886 55.799 54.840 0.121 0.000 0.870 272 L CB 0.550 42.596 42.059 -0.022 0.000 1.154 272 L HN 0.643 nan 8.230 nan 0.000 0.462 273 D N 2.667 123.163 120.400 0.159 0.000 2.493 273 D HA 0.872 5.535 4.640 0.040 0.000 0.239 273 D C -0.284 176.089 176.300 0.120 0.000 1.049 273 D CA 0.377 54.459 54.000 0.137 0.000 1.008 273 D CB 2.326 43.174 40.800 0.080 0.000 1.398 273 D HN 0.731 nan 8.370 nan 0.000 0.513 274 G N -0.883 107.970 108.800 0.088 0.000 2.348 274 G HA2 0.401 4.385 3.960 0.040 0.000 0.296 274 G HA3 0.401 4.385 3.960 0.040 0.000 0.296 274 G C -1.876 173.048 174.900 0.039 0.000 1.258 274 G CA -0.340 44.799 45.100 0.065 0.000 0.868 274 G HN 0.407 nan 8.290 nan 0.000 0.488 275 V N 0.676 120.611 119.914 0.034 0.000 2.487 275 V HA 0.563 4.707 4.120 0.040 0.000 0.298 275 V C -0.333 175.771 176.094 0.017 0.000 1.028 275 V CA -0.445 61.865 62.300 0.017 0.000 0.860 275 V CB 1.442 33.276 31.823 0.018 0.000 0.991 275 V HN 0.578 nan 8.190 nan 0.000 0.427 276 L N 5.048 126.272 121.223 0.001 0.000 2.426 276 L HA 0.534 4.898 4.340 0.040 0.000 0.255 276 L C 1.023 177.889 176.870 -0.008 0.000 1.080 276 L CA -0.259 54.585 54.840 0.006 0.000 0.960 276 L CB 1.014 43.068 42.059 -0.008 0.000 1.326 276 L HN 0.788 nan 8.230 nan 0.000 0.441 277 G N 0.988 109.779 108.800 -0.015 0.000 2.491 277 G HA2 0.117 4.100 3.960 0.040 0.000 0.242 277 G HA3 0.117 4.100 3.960 0.040 0.000 0.242 277 G C 1.044 175.930 174.900 -0.023 0.000 1.266 277 G CA -0.470 44.615 45.100 -0.024 0.000 0.844 277 G HN 0.837 nan 8.290 nan 0.000 0.571 278 R N 0.476 120.965 120.500 -0.018 0.000 2.241 278 R HA -0.115 4.248 4.340 0.040 0.000 0.224 278 R C 1.684 177.971 176.300 -0.023 0.000 1.101 278 R CA 1.459 57.549 56.100 -0.016 0.000 0.995 278 R CB -0.187 30.107 30.300 -0.010 0.000 0.870 278 R HN 0.528 nan 8.270 nan 0.000 0.463 279 Q N 0.903 120.685 119.800 -0.031 0.000 2.291 279 Q HA -0.031 4.333 4.340 0.040 0.000 0.205 279 Q C 2.092 178.056 176.000 -0.060 0.000 0.970 279 Q CA 1.376 57.154 55.803 -0.041 0.000 0.876 279 Q CB -0.033 28.674 28.738 -0.052 0.000 0.935 279 Q HN 0.142 nan 8.270 nan 0.000 0.455 280 V N 1.475 121.352 119.914 -0.061 0.000 2.231 280 V HA -0.261 3.883 4.120 0.040 0.000 0.248 280 V C -0.770 175.263 176.094 -0.102 0.000 1.054 280 V CA 2.326 64.583 62.300 -0.071 0.000 1.015 280 V CB -1.568 30.233 31.823 -0.036 0.000 0.638 280 V HN 0.289 nan 8.190 nan 0.000 0.444 281 P HA -0.146 nan 4.420 nan 0.000 0.215 281 P C 1.723 178.949 177.300 -0.123 0.000 1.157 281 P CA 2.017 65.053 63.100 -0.108 0.000 0.874 281 P CB -0.408 31.250 31.700 -0.071 0.000 0.790 282 G N -0.218 108.528 108.800 -0.090 0.000 2.446 282 G HA2 -0.248 3.736 3.960 0.040 0.000 0.217 282 G HA3 -0.248 3.736 3.960 0.040 0.000 0.217 282 G C 1.534 176.376 174.900 -0.097 0.000 1.168 282 G CA 0.670 45.721 45.100 -0.081 0.000 0.771 282 G HN 0.219 nan 8.290 nan 0.000 0.551 283 L N 0.093 121.255 121.223 -0.101 0.000 2.042 283 L HA -0.068 4.295 4.340 0.040 0.000 0.210 283 L C 2.881 179.647 176.870 -0.172 0.000 1.076 283 L CA 0.778 55.557 54.840 -0.102 0.000 0.749 283 L CB -0.328 41.680 42.059 -0.086 0.000 0.893 283 L HN 0.231 nan 8.230 nan 0.000 0.432 284 I N -0.520 119.873 120.570 -0.295 0.000 2.163 284 I HA -0.200 3.994 4.170 0.040 0.000 0.240 284 I C 2.679 178.590 176.117 -0.343 0.000 1.081 284 I CA 1.430 62.400 61.300 -0.551 0.000 1.353 284 I CB -1.006 36.533 38.000 -0.768 0.000 1.054 284 I HN 0.275 nan 8.210 nan 0.000 0.407 285 G N 0.729 109.389 108.800 -0.233 0.000 2.469 285 G HA2 -0.269 3.715 3.960 0.040 0.000 0.219 285 G HA3 -0.269 3.715 3.960 0.040 0.000 0.219 285 G C 1.189 176.020 174.900 -0.114 0.000 1.150 285 G CA 1.200 46.204 45.100 -0.160 0.000 0.763 285 G HN 0.312 nan 8.290 nan 0.000 0.561 286 D N 0.078 120.422 120.400 -0.092 0.000 2.269 286 D HA -0.009 4.654 4.640 0.040 0.000 0.208 286 D C 1.925 178.205 176.300 -0.033 0.000 0.963 286 D CA 0.612 54.581 54.000 -0.051 0.000 0.864 286 D CB 0.027 40.805 40.800 -0.037 0.000 0.936 286 D HN 0.322 nan 8.370 nan 0.000 0.505 287 N N -0.502 118.174 118.700 -0.039 0.000 2.239 287 N HA -0.016 4.747 4.740 0.040 0.000 0.208 287 N C 1.730 177.272 175.510 0.052 0.000 1.200 287 N CA 0.006 53.065 53.050 0.015 0.000 0.895 287 N CB 1.106 39.619 38.487 0.042 0.000 1.085 287 N HN -0.033 nan 8.380 nan 0.000 0.500 288 V N 2.406 122.337 119.914 0.027 0.000 2.282 288 V HA -0.272 3.872 4.120 0.040 0.000 0.249 288 V C 2.351 178.445 176.094 -0.001 0.000 1.057 288 V CA 2.272 64.642 62.300 0.117 0.000 1.032 288 V CB -0.206 31.638 31.823 0.035 0.000 0.645 288 V HN 0.309 nan 8.190 nan 0.000 0.447 289 E N -0.417 119.730 120.200 -0.088 0.000 2.051 289 E HA -0.308 4.065 4.350 0.040 0.000 0.192 289 E C 2.380 179.020 176.600 0.066 0.000 0.991 289 E CA 1.516 57.852 56.400 -0.107 0.000 0.799 289 E CB -0.268 29.415 29.700 -0.028 0.000 0.748 289 E HN 0.452 nan 8.360 nan 0.000 0.449 290 R N 0.649 121.192 120.500 0.071 0.000 2.081 290 R HA -0.090 4.274 4.340 0.040 0.000 0.235 290 R C 2.216 178.555 176.300 0.065 0.000 1.131 290 R CA 1.727 57.877 56.100 0.083 0.000 0.960 290 R CB -1.233 29.102 30.300 0.058 0.000 0.856 290 R HN 0.344 nan 8.270 nan 0.000 0.436 291 C N 0.015 119.347 119.300 0.053 0.000 2.413 291 C HA -0.061 4.423 4.460 0.040 0.000 0.276 291 C C 2.665 177.651 174.990 -0.006 0.000 1.236 291 C CA 0.847 59.872 59.018 0.013 0.000 1.735 291 C CB -1.137 26.622 27.740 0.032 0.000 2.031 291 C HN 0.476 nan 8.230 nan 0.000 0.474 292 L N 0.101 121.362 121.223 0.064 0.000 2.046 292 L HA -0.155 4.208 4.340 0.040 0.000 0.208 292 L C 2.514 179.539 176.870 0.259 0.000 1.077 292 L CA 1.347 56.294 54.840 0.180 0.000 0.747 292 L CB -0.551 41.634 42.059 0.209 0.000 0.896 292 L HN 0.396 nan 8.230 nan 0.000 0.432 293 L N -0.743 120.639 121.223 0.265 0.000 2.093 293 L HA -0.188 4.175 4.340 0.040 0.000 0.208 293 L C 2.184 179.116 176.870 0.102 0.000 1.085 293 L CA 0.898 55.881 54.840 0.238 0.000 0.755 293 L CB -0.571 41.633 42.059 0.240 0.000 0.904 293 L HN 0.245 nan 8.230 nan 0.000 0.435 294 D N -0.157 120.266 120.400 0.038 0.000 2.117 294 D HA -0.167 4.496 4.640 0.040 0.000 0.197 294 D C 2.331 178.566 176.300 -0.108 0.000 0.987 294 D CA 1.376 55.359 54.000 -0.027 0.000 0.829 294 D CB -0.044 40.731 40.800 -0.041 0.000 0.961 294 D HN 0.279 nan 8.370 nan 0.000 0.460 295 M N -1.086 118.382 119.600 -0.221 0.000 2.123 295 M HA -0.074 4.430 4.480 0.040 0.000 0.263 295 M C 1.292 177.259 176.300 -0.555 0.000 1.069 295 M CA 1.290 56.274 55.300 -0.527 0.000 1.133 295 M CB 0.050 32.101 32.600 -0.916 0.000 1.356 295 M HN -0.017 nan 8.290 nan 0.000 0.415 296 F N -1.495 118.473 119.950 0.031 0.000 2.667 296 F HA 0.367 4.917 4.527 0.039 0.000 0.288 296 F C 2.026 177.841 175.800 0.025 0.000 1.086 296 F CA 0.320 58.334 58.000 0.023 0.000 1.297 296 F CB -1.173 37.846 39.000 0.030 0.000 1.059 296 F HN 0.233 nan 8.300 nan 0.000 0.624 297 G N 2.416 111.339 108.800 0.205 0.000 2.812 297 G HA2 -0.400 3.584 3.960 0.040 0.000 0.366 297 G HA3 -0.400 3.584 3.960 0.040 0.000 0.366 297 G C -0.759 174.191 174.900 0.083 0.000 1.183 297 G CA 1.322 46.494 45.100 0.120 0.000 1.076 297 G HN 0.252 nan 8.290 nan 0.000 0.750 298 P HA 0.025 nan 4.420 nan 0.000 0.219 298 P C 2.023 179.337 177.300 0.023 0.000 1.146 298 P CA 1.187 64.305 63.100 0.031 0.000 0.808 298 P CB -0.222 31.494 31.700 0.025 0.000 0.779 299 L N -2.455 118.798 121.223 0.050 0.000 2.478 299 L HA 0.020 4.384 4.340 0.040 0.000 0.223 299 L C 0.789 177.643 176.870 -0.027 0.000 1.140 299 L CA 0.312 55.161 54.840 0.015 0.000 0.842 299 L CB -0.602 41.481 42.059 0.039 0.000 0.953 299 L HN 0.029 nan 8.230 nan 0.000 0.452 308 W N 1.208 122.601 121.300 0.155 0.000 2.421 308 W HA -0.036 4.647 4.660 0.039 0.000 0.270 308 W C 1.901 178.631 176.519 0.352 0.000 1.233 308 W CA 0.391 57.911 57.345 0.292 0.000 1.226 308 W CB 0.207 29.822 29.460 0.258 0.000 1.121 308 W HN 0.457 nan 8.180 nan 0.000 0.579 309 N N 0.398 119.322 118.700 0.373 0.000 2.515 309 N HA -0.101 4.663 4.740 0.040 0.000 0.185 309 N C 0.503 176.156 175.510 0.238 0.000 1.109 309 N CA 0.970 54.200 53.050 0.301 0.000 0.903 309 N CB -0.272 38.327 38.487 0.186 0.000 0.969 309 N HN 0.249 nan 8.380 nan 0.000 0.450 310 D N 0.436 120.943 120.400 0.178 0.000 2.363 310 D HA 0.076 4.740 4.640 0.040 0.000 0.220 310 D C 0.703 177.054 176.300 0.085 0.000 0.994 310 D CA 0.364 54.424 54.000 0.101 0.000 0.890 310 D CB 0.579 41.396 40.800 0.028 0.000 0.906 310 D HN 0.253 nan 8.370 nan 0.000 0.530 311 L N 0.282 121.578 121.223 0.121 0.000 2.334 311 L HA 0.392 4.755 4.340 0.040 0.000 0.270 311 L C 0.179 177.006 176.870 -0.071 0.000 1.018 311 L CA -1.373 53.382 54.840 -0.143 0.000 0.811 311 L CB 1.002 42.788 42.059 -0.455 0.000 1.271 311 L HN -0.158 nan 8.230 nan 0.000 0.443 312 F N -1.130 118.700 119.950 -0.201 0.000 2.380 312 F HA 0.693 5.241 4.527 0.036 0.000 0.319 312 F C -1.184 174.354 175.800 -0.437 0.000 1.113 312 F CA -1.327 56.616 58.000 -0.094 0.000 1.056 312 F CB 0.552 39.563 39.000 0.018 0.000 1.289 312 F HN 0.192 nan 8.300 nan 0.000 0.515 313 W N 0.661 122.165 121.300 0.340 0.000 3.042 313 W HA 0.692 5.371 4.660 0.031 0.000 0.337 313 W C -1.238 175.394 176.519 0.188 0.000 1.086 313 W CA -1.135 56.317 57.345 0.179 0.000 1.236 313 W CB 2.121 31.648 29.460 0.111 0.000 1.381 313 W HN 0.784 nan 8.180 nan 0.000 0.472 314 A N 3.095 126.106 122.820 0.318 0.000 2.483 314 A HA 0.782 5.125 4.320 0.040 0.000 0.308 314 A C -1.450 176.264 177.584 0.216 0.000 1.291 314 A CA -0.584 51.580 52.037 0.211 0.000 0.774 314 A CB 0.491 19.545 19.000 0.090 0.000 1.134 314 A HN 0.390 nan 8.150 nan 0.000 0.471 315 V N 2.178 122.231 119.914 0.231 0.000 2.555 315 V HA 0.257 4.401 4.120 0.040 0.000 0.302 315 V C 0.159 176.371 176.094 0.197 0.000 1.038 315 V CA -0.719 61.723 62.300 0.237 0.000 0.887 315 V CB 1.564 33.531 31.823 0.240 0.000 0.991 315 V HN 0.958 nan 8.190 nan 0.000 0.434 316 H N 8.022 127.174 119.070 0.138 0.000 3.184 316 H HA 0.107 4.693 4.556 0.049 0.000 0.274 316 H C -1.443 173.945 175.328 0.099 0.000 0.962 316 H CA -0.852 55.260 56.048 0.107 0.000 1.441 316 H CB 1.061 30.888 29.762 0.110 0.000 1.518 316 H HN 0.392 nan 8.280 nan 0.000 0.539 317 P HA -0.114 nan 4.420 nan 0.000 0.215 317 P C 1.286 178.499 177.300 -0.146 0.000 1.157 317 P CA 1.982 64.986 63.100 -0.160 0.000 0.863 317 P CB 0.116 31.733 31.700 -0.138 0.000 0.787 318 G N 0.176 108.804 108.800 -0.286 0.000 4.754 318 G HA2 -0.280 3.704 3.960 0.040 0.000 0.222 318 G HA3 -0.280 3.704 3.960 0.040 0.000 0.222 318 G C 0.325 175.228 174.900 0.005 0.000 1.377 318 G CA 1.128 46.207 45.100 -0.036 0.000 0.942 318 G HN 0.903 nan 8.290 nan 0.000 0.671 319 S N -2.225 113.470 115.700 -0.008 0.000 2.636 319 S HA 0.708 5.202 4.470 0.040 0.000 0.268 319 S C 0.564 175.152 174.600 -0.020 0.000 1.159 319 S CA 0.848 59.048 58.200 -0.001 0.000 0.815 319 S CB 1.078 64.287 63.200 0.014 0.000 1.130 319 S HN 1.309 nan 8.310 nan 0.000 0.471 320 S N 0.154 115.842 115.700 -0.019 0.000 2.382 320 S HA -0.069 4.425 4.470 0.040 0.000 0.228 320 S C 1.674 176.255 174.600 -0.032 0.000 1.027 320 S CA 2.310 60.495 58.200 -0.025 0.000 0.991 320 S CB -1.017 62.169 63.200 -0.024 0.000 0.823 320 S HN 0.787 nan 8.310 nan 0.000 0.469 321 T N 2.149 116.684 114.554 -0.030 0.000 2.777 321 T HA 0.055 4.428 4.350 0.040 0.000 0.266 321 T C 1.715 176.383 174.700 -0.053 0.000 1.040 321 T CA 1.323 63.400 62.100 -0.038 0.000 1.141 321 T CB -0.312 68.537 68.868 -0.030 0.000 0.868 321 T HN 0.368 nan 8.240 nan 0.000 0.444 322 I N 0.947 121.486 120.570 -0.052 0.000 2.226 322 I HA -0.188 4.005 4.170 0.040 0.000 0.245 322 I C 2.564 178.632 176.117 -0.083 0.000 1.100 322 I CA 1.049 62.304 61.300 -0.075 0.000 1.374 322 I CB -0.351 37.617 38.000 -0.053 0.000 1.057 322 I HN 0.211 nan 8.210 nan 0.000 0.413 323 M N -0.074 119.490 119.600 -0.060 0.000 2.108 323 M HA -0.231 4.273 4.480 0.040 0.000 0.261 323 M C 1.844 178.095 176.300 -0.082 0.000 1.066 323 M CA 1.791 57.052 55.300 -0.064 0.000 1.107 323 M CB -1.230 31.344 32.600 -0.043 0.000 1.356 323 M HN 0.214 nan 8.290 nan 0.000 0.406 324 D N 0.045 120.403 120.400 -0.070 0.000 2.117 324 D HA -0.142 4.522 4.640 0.040 0.000 0.197 324 D C 2.225 178.472 176.300 -0.087 0.000 0.987 324 D CA 0.938 54.896 54.000 -0.070 0.000 0.829 324 D CB -0.238 40.530 40.800 -0.053 0.000 0.961 324 D HN 0.340 nan 8.370 nan 0.000 0.460 325 Q N 0.306 120.048 119.800 -0.097 0.000 2.084 325 Q HA -0.087 4.277 4.340 0.040 0.000 0.202 325 Q C 2.467 178.379 176.000 -0.147 0.000 0.978 325 Q CA 0.667 56.400 55.803 -0.117 0.000 0.844 325 Q CB -0.398 28.262 28.738 -0.131 0.000 0.898 325 Q HN 0.242 nan 8.270 nan 0.000 0.426 326 V N 1.520 121.334 119.914 -0.165 0.000 2.307 326 V HA -0.217 3.927 4.120 0.040 0.000 0.245 326 V C 1.841 177.788 176.094 -0.245 0.000 1.045 326 V CA 1.797 63.969 62.300 -0.214 0.000 1.024 326 V CB -0.530 31.173 31.823 -0.199 0.000 0.651 326 V HN 0.220 nan 8.190 nan 0.000 0.449 327 D N 0.507 120.788 120.400 -0.197 0.000 2.116 327 D HA -0.188 4.476 4.640 0.040 0.000 0.193 327 D C 2.212 178.432 176.300 -0.135 0.000 0.998 327 D CA 1.917 55.813 54.000 -0.173 0.000 0.836 327 D CB -0.312 40.419 40.800 -0.115 0.000 0.951 327 D HN 0.432 nan 8.370 nan 0.000 0.449 328 A N 0.777 123.532 122.820 -0.109 0.000 1.873 328 A HA -0.012 4.332 4.320 0.040 0.000 0.215 328 A C 2.314 179.850 177.584 -0.079 0.000 1.186 328 A CA 2.325 54.316 52.037 -0.077 0.000 0.616 328 A CB -0.785 18.176 19.000 -0.064 0.000 0.823 328 A HN 0.242 nan 8.150 nan 0.000 0.442 329 A N -0.619 122.132 122.820 -0.115 0.000 1.933 329 A HA 0.031 4.375 4.320 0.040 0.000 0.218 329 A C 1.932 179.437 177.584 -0.132 0.000 1.175 329 A CA 1.506 53.473 52.037 -0.116 0.000 0.628 329 A CB -0.423 18.486 19.000 -0.151 0.000 0.814 329 A HN 0.467 nan 8.150 nan 0.000 0.444 330 L N -1.483 119.614 121.223 -0.209 0.000 2.640 330 L HA 0.259 4.623 4.340 0.040 0.000 0.230 330 L C 1.418 178.301 176.870 0.021 0.000 1.123 330 L CA 0.334 55.024 54.840 -0.250 0.000 0.900 330 L CB -0.063 41.636 42.059 -0.601 0.000 1.146 330 L HN 0.524 nan 8.230 nan 0.000 0.484 331 G N 1.484 110.280 108.800 -0.005 0.000 2.273 331 G HA2 -0.271 3.712 3.960 0.040 0.000 0.280 331 G HA3 -0.271 3.712 3.960 0.040 0.000 0.280 331 G C -0.103 174.814 174.900 0.030 0.000 1.047 331 G CA -0.159 44.963 45.100 0.036 0.000 0.869 331 G HN 0.097 nan 8.290 nan 0.000 0.502 332 L N 0.343 121.538 121.223 -0.047 0.000 2.426 332 L HA 0.383 4.747 4.340 0.040 0.000 0.271 332 L C 1.062 177.919 176.870 -0.022 0.000 1.169 332 L CA -0.196 54.606 54.840 -0.064 0.000 0.836 332 L CB 0.586 42.512 42.059 -0.222 0.000 1.112 332 L HN 0.420 nan 8.230 nan 0.000 0.465 333 E N 4.825 125.036 120.200 0.019 0.000 2.390 333 E HA 0.053 4.427 4.350 0.040 0.000 0.261 333 E C -1.469 175.141 176.600 0.015 0.000 1.076 333 E CA -1.178 55.239 56.400 0.029 0.000 0.905 333 E CB 0.252 29.988 29.700 0.059 0.000 0.984 333 E HN 0.443 nan 8.360 nan 0.000 0.427 334 P HA -0.199 nan 4.420 nan 0.000 0.216 334 P C 1.156 178.473 177.300 0.028 0.000 1.154 334 P CA 1.464 64.572 63.100 0.013 0.000 0.865 334 P CB 0.056 31.765 31.700 0.016 0.000 0.789 335 G N -0.685 108.144 108.800 0.048 0.000 2.534 335 G HA2 -0.158 3.825 3.960 0.040 0.000 0.217 335 G HA3 -0.158 3.825 3.960 0.040 0.000 0.217 335 G C 1.498 176.457 174.900 0.099 0.000 1.128 335 G CA 0.300 45.441 45.100 0.069 0.000 0.784 335 G HN 0.182 nan 8.290 nan 0.000 0.542 336 K N 0.371 120.830 120.400 0.099 0.000 2.025 336 K HA 0.104 4.448 4.320 0.040 0.000 0.207 336 K C 2.003 178.691 176.600 0.147 0.000 1.049 336 K CA 0.588 56.971 56.287 0.158 0.000 0.933 336 K CB -0.411 32.144 32.500 0.091 0.000 0.714 336 K HN 0.344 nan 8.250 nan 0.000 0.438 337 L N 0.701 121.952 121.223 0.048 0.000 2.629 337 L HA 0.160 4.524 4.340 0.040 0.000 0.230 337 L C 1.977 178.887 176.870 0.068 0.000 1.151 337 L CA -0.200 54.672 54.840 0.053 0.000 0.924 337 L CB -0.218 41.827 42.059 -0.024 0.000 1.137 337 L HN 0.005 nan 8.230 nan 0.000 0.457 338 A N 0.865 123.731 122.820 0.078 0.000 1.908 338 A HA -0.209 4.135 4.320 0.040 0.000 0.218 338 A C 2.589 180.223 177.584 0.083 0.000 1.181 338 A CA 1.900 53.978 52.037 0.069 0.000 0.627 338 A CB -0.384 18.657 19.000 0.067 0.000 0.818 338 A HN 0.414 nan 8.150 nan 0.000 0.445 339 A N -0.497 122.388 122.820 0.109 0.000 1.877 339 A HA -0.085 4.258 4.320 0.040 0.000 0.216 339 A C 2.453 180.108 177.584 0.119 0.000 1.186 339 A CA 2.161 54.269 52.037 0.117 0.000 0.620 339 A CB -0.931 18.147 19.000 0.129 0.000 0.822 339 A HN 0.481 nan 8.150 nan 0.000 0.443 340 S N -0.402 115.367 115.700 0.116 0.000 2.368 340 S HA -0.164 4.330 4.470 0.040 0.000 0.225 340 S C 2.066 176.703 174.600 0.061 0.000 1.030 340 S CA 1.408 59.665 58.200 0.095 0.000 0.999 340 S CB -0.329 62.930 63.200 0.098 0.000 0.844 340 S HN 0.596 nan 8.310 nan 0.000 0.459 341 R N 0.753 121.284 120.500 0.051 0.000 2.081 341 R HA -0.021 4.343 4.340 0.040 0.000 0.235 341 R C 2.573 178.898 176.300 0.042 0.000 1.131 341 R CA 1.332 57.450 56.100 0.030 0.000 0.960 341 R CB -0.257 30.056 30.300 0.020 0.000 0.856 341 R HN 0.183 nan 8.270 nan 0.000 0.436 342 R N 1.015 121.553 120.500 0.064 0.000 2.083 342 R HA -0.125 4.239 4.340 0.040 0.000 0.237 342 R C 1.983 178.348 176.300 0.108 0.000 1.137 342 R CA 1.676 57.820 56.100 0.074 0.000 0.951 342 R CB -0.867 29.487 30.300 0.090 0.000 0.851 342 R HN 0.021 nan 8.270 nan 0.000 0.434 343 V N 0.914 120.927 119.914 0.165 0.000 2.287 343 V HA -0.232 3.912 4.120 0.040 0.000 0.248 343 V C 2.307 178.507 176.094 0.177 0.000 1.053 343 V CA 1.871 64.333 62.300 0.270 0.000 1.027 343 V CB -0.676 31.282 31.823 0.226 0.000 0.646 343 V HN 0.384 nan 8.190 nan 0.000 0.447 344 L N 0.040 121.304 121.223 0.068 0.000 2.012 344 L HA -0.168 4.196 4.340 0.040 0.000 0.210 344 L C 2.646 179.524 176.870 0.014 0.000 1.073 344 L CA 2.498 57.349 54.840 0.018 0.000 0.748 344 L CB -0.773 41.278 42.059 -0.014 0.000 0.891 344 L HN 0.337 nan 8.230 nan 0.000 0.431 345 S N -1.028 114.676 115.700 0.006 0.000 2.368 345 S HA -0.190 4.303 4.470 0.040 0.000 0.225 345 S C 1.646 176.201 174.600 -0.074 0.000 1.030 345 S CA 1.698 59.881 58.200 -0.027 0.000 0.999 345 S CB -0.385 62.802 63.200 -0.022 0.000 0.844 345 S HN 0.609 nan 8.310 nan 0.000 0.459 346 D N -1.182 119.154 120.400 -0.106 0.000 2.333 346 D HA 0.120 4.784 4.640 0.040 0.000 0.208 346 D C 0.448 176.430 176.300 -0.530 0.000 0.984 346 D CA 0.778 54.569 54.000 -0.350 0.000 0.873 346 D CB 0.163 40.666 40.800 -0.495 0.000 0.935 346 D HN 0.570 nan 8.370 nan 0.000 0.521 347 Y N -1.022 119.292 120.300 0.023 0.000 2.515 347 Y HA 0.335 4.904 4.550 0.031 0.000 0.267 347 Y C 1.363 177.242 175.900 -0.035 0.000 1.058 347 Y CA 0.070 58.177 58.100 0.012 0.000 1.231 347 Y CB 0.658 39.013 38.460 -0.176 0.000 1.350 347 Y HN -0.064 nan 8.280 nan 0.000 0.554 348 G N 1.600 110.451 108.800 0.085 0.000 2.752 348 G HA2 -0.321 3.663 3.960 0.040 0.000 0.234 348 G HA3 -0.321 3.663 3.960 0.040 0.000 0.234 348 G C -0.606 174.301 174.900 0.012 0.000 1.367 348 G CA -0.404 44.733 45.100 0.061 0.000 0.879 348 G HN 0.258 nan 8.290 nan 0.000 0.563 349 N N 0.093 118.800 118.700 0.010 0.000 2.442 349 N HA 0.531 5.295 4.740 0.040 0.000 0.265 349 N C 0.874 176.292 175.510 -0.154 0.000 1.138 349 N CA 0.189 53.166 53.050 -0.122 0.000 0.956 349 N CB 0.469 38.856 38.487 -0.167 0.000 1.067 349 N HN 0.456 nan 8.380 nan 0.000 0.474 350 M N 1.909 121.428 119.600 -0.136 0.000 2.869 350 M HA 0.178 4.681 4.480 0.040 0.000 0.353 350 M C 0.753 177.020 176.300 -0.055 0.000 1.224 350 M CA -0.232 55.007 55.300 -0.102 0.000 0.917 350 M CB -0.130 32.366 32.600 -0.174 0.000 1.322 350 M HN 0.633 nan 8.290 nan 0.000 0.516 351 S N 1.085 116.727 115.700 -0.096 0.000 3.927 351 S HA -0.282 4.212 4.470 0.040 0.000 0.618 351 S C 1.534 176.121 174.600 -0.021 0.000 2.201 351 S CA 1.837 59.987 58.200 -0.083 0.000 4.160 351 S CB -1.294 61.852 63.200 -0.089 0.000 0.266 351 S HN 0.767 nan 8.310 nan 0.000 0.760 352 G N 0.775 109.532 108.800 -0.072 0.000 2.450 352 G HA2 0.052 4.036 3.960 0.040 0.000 0.220 352 G HA3 0.052 4.036 3.960 0.040 0.000 0.220 352 G C 1.715 176.637 174.900 0.038 0.000 1.130 352 G CA 1.494 46.561 45.100 -0.055 0.000 0.760 352 G HN 1.388 nan 8.290 nan 0.000 0.557 353 A N 0.363 123.228 122.820 0.075 0.000 2.014 353 A HA 0.063 4.407 4.320 0.040 0.000 0.218 353 A C 2.512 180.252 177.584 0.258 0.000 1.163 353 A CA 2.170 54.307 52.037 0.167 0.000 0.652 353 A CB -0.710 18.428 19.000 0.229 0.000 0.808 353 A HN 0.305 nan 8.150 nan 0.000 0.449 354 T N -0.529 114.125 114.554 0.165 0.000 2.665 354 T HA -0.186 4.188 4.350 0.040 0.000 0.268 354 T C 1.779 176.598 174.700 0.199 0.000 1.035 354 T CA 1.579 63.749 62.100 0.116 0.000 1.151 354 T CB -0.695 68.203 68.868 0.051 0.000 0.862 354 T HN 0.207 nan 8.240 nan 0.000 0.438 355 V N 0.986 121.036 119.914 0.227 0.000 2.626 355 V HA -0.064 4.080 4.120 0.040 0.000 0.252 355 V C 2.102 178.269 176.094 0.121 0.000 1.067 355 V CA 1.282 63.688 62.300 0.177 0.000 1.081 355 V CB -0.528 31.398 31.823 0.170 0.000 0.686 355 V HN 0.520 nan 8.190 nan 0.000 0.468 356 I N -1.363 119.279 120.570 0.121 0.000 2.333 356 I HA -0.132 4.062 4.170 0.040 0.000 0.246 356 I C 2.193 178.326 176.117 0.026 0.000 1.106 356 I CA 1.394 62.718 61.300 0.041 0.000 1.411 356 I CB -0.463 37.534 38.000 -0.005 0.000 1.082 356 I HN 0.228 nan 8.210 nan 0.000 0.420 357 F N 1.350 121.262 119.950 -0.063 0.000 2.120 357 F HA -0.315 4.230 4.527 0.029 0.000 0.300 357 F C 2.653 178.442 175.800 -0.018 0.000 1.095 357 F CA 1.651 59.596 58.000 -0.092 0.000 1.249 357 F CB -0.526 38.362 39.000 -0.188 0.000 0.995 357 F HN 0.031 nan 8.300 nan 0.000 0.480 358 A N -0.425 122.518 122.820 0.205 0.000 1.933 358 A HA -0.175 4.168 4.320 0.040 0.000 0.218 358 A C 2.046 179.682 177.584 0.087 0.000 1.175 358 A CA 1.509 53.633 52.037 0.146 0.000 0.628 358 A CB -0.980 18.100 19.000 0.134 0.000 0.814 358 A HN 0.354 nan 8.150 nan 0.000 0.444 359 L N 0.016 121.255 121.223 0.027 0.000 2.093 359 L HA -0.130 4.233 4.340 0.040 0.000 0.208 359 L C 1.952 178.826 176.870 0.006 0.000 1.085 359 L CA 2.529 57.325 54.840 -0.073 0.000 0.755 359 L CB -0.516 41.429 42.059 -0.189 0.000 0.904 359 L HN 0.445 nan 8.230 nan 0.000 0.435 360 D N -0.865 119.543 120.400 0.014 0.000 2.117 360 D HA -0.244 4.420 4.640 0.040 0.000 0.197 360 D C 2.090 178.426 176.300 0.061 0.000 0.987 360 D CA 1.157 55.170 54.000 0.021 0.000 0.829 360 D CB 0.097 40.849 40.800 -0.081 0.000 0.961 360 D HN 0.393 nan 8.370 nan 0.000 0.460 361 E N -0.267 119.986 120.200 0.089 0.000 2.077 361 E HA -0.137 4.237 4.350 0.040 0.000 0.193 361 E C 2.001 178.657 176.600 0.094 0.000 0.989 361 E CA 0.627 57.095 56.400 0.112 0.000 0.800 361 E CB -0.605 29.189 29.700 0.156 0.000 0.746 361 E HN 0.302 nan 8.360 nan 0.000 0.452 362 L N 1.183 122.462 121.223 0.093 0.000 2.046 362 L HA -0.108 4.256 4.340 0.040 0.000 0.208 362 L C 2.434 179.351 176.870 0.078 0.000 1.077 362 L CA 1.953 56.843 54.840 0.083 0.000 0.747 362 L CB -0.615 41.484 42.059 0.067 0.000 0.896 362 L HN 0.148 nan 8.230 nan 0.000 0.432 363 R N -0.235 120.343 120.500 0.130 0.000 2.148 363 R HA -0.090 4.273 4.340 0.040 0.000 0.223 363 R C 2.188 178.499 176.300 0.018 0.000 1.088 363 R CA 1.108 57.260 56.100 0.087 0.000 0.985 363 R CB -0.271 30.125 30.300 0.160 0.000 0.880 363 R HN 0.403 nan 8.270 nan 0.000 0.451 364 R N 0.276 120.799 120.500 0.037 0.000 2.119 364 R HA 0.031 4.395 4.340 0.040 0.000 0.222 364 R C 0.944 177.257 176.300 0.022 0.000 1.088 364 R CA 0.601 56.717 56.100 0.026 0.000 0.984 364 R CB 0.037 30.362 30.300 0.042 0.000 0.884 364 R HN 0.391 nan 8.270 nan 0.000 0.447 377 E N -0.029 120.285 120.200 0.189 0.000 2.276 377 E HA 0.115 4.488 4.350 0.040 0.000 0.193 377 E C 0.143 176.919 176.600 0.293 0.000 0.983 377 E CA 0.145 56.663 56.400 0.196 0.000 0.861 377 E CB 0.410 30.216 29.700 0.177 0.000 0.817 377 E HN 0.114 nan 8.360 nan 0.000 0.485 378 L N 0.063 121.361 121.223 0.124 0.000 2.331 378 L HA 0.620 4.984 4.340 0.040 0.000 0.275 378 L C 0.027 176.468 176.870 -0.714 0.000 1.022 378 L CA -0.255 54.509 54.840 -0.127 0.000 0.812 378 L CB 1.772 43.751 42.059 -0.133 0.000 1.257 378 L HN -0.000 nan 8.230 nan 0.000 0.435 379 G N 1.688 109.765 108.800 -1.205 0.000 2.623 379 G HA2 0.590 4.573 3.960 0.040 0.000 0.290 379 G HA3 0.590 4.573 3.960 0.040 0.000 0.290 379 G C -2.202 171.983 174.900 -1.192 0.000 1.437 379 G CA -0.462 43.465 45.100 -1.955 0.000 0.798 379 G HN 0.388 nan 8.290 nan 0.000 0.488 380 V N 1.005 120.254 119.914 -1.109 0.000 2.487 380 V HA 0.657 4.801 4.120 0.040 0.000 0.298 380 V C -0.158 175.760 176.094 -0.292 0.000 1.028 380 V CA -0.548 61.342 62.300 -0.684 0.000 0.860 380 V CB 1.647 33.002 31.823 -0.779 0.000 0.991 380 V HN 0.829 nan 8.190 nan 0.000 0.427 381 M N 8.091 127.607 119.600 -0.139 0.000 2.114 381 M HA 0.765 5.269 4.480 0.040 0.000 0.332 381 M C -0.876 175.456 176.300 0.054 0.000 1.014 381 M CA -0.339 54.957 55.300 -0.008 0.000 0.956 381 M CB 0.972 33.542 32.600 -0.050 0.000 1.551 381 M HN 0.857 nan 8.290 nan 0.000 0.427 382 M N 4.115 123.787 119.600 0.120 0.000 2.575 382 M HA 0.979 5.483 4.480 0.040 0.000 0.284 382 M C -2.115 174.263 176.300 0.129 0.000 1.253 382 M CA -0.715 54.644 55.300 0.098 0.000 0.861 382 M CB 2.411 35.075 32.600 0.106 0.000 1.733 382 M HN 0.628 nan 8.290 nan 0.000 0.462 383 A N 1.860 124.702 122.820 0.037 0.000 2.488 383 A HA 0.829 5.172 4.320 0.040 0.000 0.298 383 A C -2.014 175.548 177.584 -0.036 0.000 1.044 383 A CA -0.514 51.581 52.037 0.097 0.000 0.693 383 A CB 1.224 20.253 19.000 0.048 0.000 1.272 383 A HN 0.776 nan 8.150 nan 0.000 0.402 384 F N 1.210 121.205 119.950 0.076 0.000 2.397 384 F HA 0.708 5.257 4.527 0.036 0.000 0.331 384 F C 1.103 176.957 175.800 0.089 0.000 1.090 384 F CA 0.753 58.794 58.000 0.070 0.000 1.065 384 F CB 2.451 41.486 39.000 0.059 0.000 1.184 384 F HN 0.850 nan 8.300 nan 0.000 0.499 385 G N 1.669 110.682 108.800 0.356 0.000 2.749 385 G HA2 0.564 4.548 3.960 0.040 0.000 0.300 385 G HA3 0.564 4.548 3.960 0.040 0.000 0.300 385 G C -3.260 171.831 174.900 0.317 0.000 1.352 385 G CA -1.613 43.697 45.100 0.351 0.000 0.789 385 G HN 0.225 nan 8.290 nan 0.000 0.509 386 P HA 0.350 nan 4.420 nan 0.000 0.266 386 P C 0.759 178.173 177.300 0.189 0.000 1.195 386 P CA 1.578 64.789 63.100 0.186 0.000 0.768 386 P CB 1.306 33.087 31.700 0.136 0.000 0.838 387 G N 1.532 110.387 108.800 0.092 0.000 4.241 387 G HA2 -0.111 3.873 3.960 0.040 0.000 0.193 387 G HA3 -0.111 3.873 3.960 0.040 0.000 0.193 387 G C -0.128 174.788 174.900 0.026 0.000 1.789 387 G CA -0.440 44.684 45.100 0.041 0.000 1.025 387 G HN 0.418 nan 8.290 nan 0.000 0.346 388 M N 2.598 122.216 119.600 0.030 0.000 2.228 388 M HA 0.463 4.967 4.480 0.040 0.000 0.351 388 M C 0.592 176.907 176.300 0.025 0.000 1.233 388 M CA 0.589 55.930 55.300 0.067 0.000 1.129 388 M CB 1.104 33.766 32.600 0.104 0.000 1.604 388 M HN 0.526 nan 8.290 nan 0.000 0.457 389 T N 1.146 115.688 114.554 -0.020 0.000 2.887 389 T HA 0.697 5.071 4.350 0.040 0.000 0.288 389 T C -0.742 173.778 174.700 -0.300 0.000 1.021 389 T CA -0.865 61.092 62.100 -0.239 0.000 1.000 389 T CB 1.316 69.834 68.868 -0.584 0.000 1.034 389 T HN 0.420 nan 8.240 nan 0.000 0.467 390 V N 3.170 122.819 119.914 -0.442 0.000 2.417 390 V HA 0.521 4.665 4.120 0.040 0.000 0.291 390 V C -0.242 175.573 176.094 -0.464 0.000 1.024 390 V CA -0.867 61.025 62.300 -0.679 0.000 0.861 390 V CB 1.529 32.852 31.823 -0.835 0.000 0.985 390 V HN 0.964 nan 8.190 nan 0.000 0.436 391 D N 3.044 123.231 120.400 -0.355 0.000 2.308 391 D HA 0.744 5.408 4.640 0.040 0.000 0.242 391 D C -0.489 175.740 176.300 -0.118 0.000 1.059 391 D CA 0.090 53.966 54.000 -0.208 0.000 0.830 391 D CB 2.430 43.173 40.800 -0.095 0.000 1.161 391 D HN 0.819 nan 8.370 nan 0.000 0.494 392 A N 3.069 125.861 122.820 -0.047 0.000 2.539 392 A HA 0.731 5.074 4.320 0.040 0.000 0.296 392 A C -0.994 176.757 177.584 0.278 0.000 1.073 392 A CA -0.634 51.474 52.037 0.119 0.000 0.700 392 A CB 1.681 20.813 19.000 0.220 0.000 1.296 392 A HN 0.554 nan 8.150 nan 0.000 0.405 393 M N 1.325 121.045 119.600 0.200 0.000 2.465 393 M HA 0.445 4.949 4.480 0.040 0.000 0.316 393 M C -1.173 175.006 176.300 -0.201 0.000 1.121 393 M CA -0.780 54.584 55.300 0.106 0.000 0.934 393 M CB 2.090 34.700 32.600 0.016 0.000 1.692 393 M HN 0.612 nan 8.290 nan 0.000 0.444 394 L N 4.149 125.123 121.223 -0.416 0.000 2.265 394 L HA 0.560 4.924 4.340 0.040 0.000 0.288 394 L C -1.429 175.281 176.870 -0.268 0.000 1.058 394 L CA 0.093 54.573 54.840 -0.600 0.000 0.809 394 L CB 0.423 42.004 42.059 -0.797 0.000 1.179 394 L HN 0.593 nan 8.230 nan 0.000 0.429 395 L N 4.561 125.637 121.223 -0.245 0.000 2.334 395 L HA 0.459 4.823 4.340 0.040 0.000 0.273 395 L C -1.044 175.920 176.870 0.156 0.000 1.013 395 L CA -0.974 53.876 54.840 0.017 0.000 0.816 395 L CB 1.710 43.847 42.059 0.129 0.000 1.278 395 L HN 0.630 nan 8.230 nan 0.000 0.431 396 H N 1.767 120.946 119.070 0.182 0.000 2.547 396 H HA 0.638 5.218 4.556 0.041 0.000 0.342 396 H C -0.823 174.660 175.328 0.259 0.000 1.048 396 H CA -0.486 55.672 56.048 0.183 0.000 1.204 396 H CB 1.686 31.489 29.762 0.067 0.000 1.493 396 H HN 0.666 nan 8.280 nan 0.000 0.511 397 A N 4.247 126.989 122.820 -0.130 0.000 2.290 397 A HA 0.381 4.725 4.320 0.040 0.000 0.310 397 A C 0.066 177.378 177.584 -0.453 0.000 1.202 397 A CA -0.594 51.297 52.037 -0.244 0.000 0.837 397 A CB 0.073 18.954 19.000 -0.198 0.000 1.139 397 A HN 0.837 nan 8.150 nan 0.000 0.509 398 T N 3.102 117.416 114.554 -0.399 0.000 2.822 398 T HA 0.265 4.639 4.350 0.040 0.000 0.288 398 T C 1.111 175.670 174.700 -0.236 0.000 0.991 398 T CA 0.869 62.798 62.100 -0.285 0.000 1.176 398 T CB -0.235 68.489 68.868 -0.241 0.000 0.951 398 T HN 0.921 nan 8.240 nan 0.000 0.526 399 S N 0.000 115.602 115.700 -0.164 0.000 2.498 399 S HA 0.000 4.494 4.470 0.040 0.000 0.327 399 S CA 0.000 58.134 58.200 -0.110 0.000 1.107 399 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 399 S HN 0.000 nan 8.310 nan 0.000 0.517