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 2ej2_1_E DATA FIRST_RESID 2 DATA SEQUENCE QIKAGLIWMN GAFVPQEEAK TSVLSHALHY GTSVFEGIRA YETAKGPAIF DATA SEQUENCE RLKEHVKRFY NSAKVLRMEI PFAPEELEEA IKEVVRRNGY RSCYIRPLAW DATA SEQUENCE MGAKALGVNP LPNNPAEVMV AAWEWXXXXX XXAVRKGARL ITSSWARFPA DATA SEQUENCE NVMPGKAKVG GNYVNSALAK MEAVAAGADE ALLLDEEGYV AEGSGENLFF DATA SEQUENCE VRDGVIYALE HSVNLEGITR DSVIRIAKDL GYEVQVVRAT RDQLYMADEV DATA SEQUENCE FMTGTAAEVT PVSMIDWRPI GKGTAGPVAL RLREVYLEAV TGRRPEYEGW DATA SEQUENCE LTYVN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.908 176.000 -0.153 0.000 1.003 2 Q CA 0.000 55.734 55.803 -0.115 0.000 1.022 2 Q CB 0.000 28.691 28.738 -0.078 0.000 1.108 3 I N 1.917 122.372 120.570 -0.192 0.000 2.325 3 I HA 0.580 4.747 4.170 -0.005 0.000 0.291 3 I C 1.057 177.101 176.117 -0.122 0.000 1.019 3 I CA -0.459 60.677 61.300 -0.273 0.000 1.302 3 I CB 1.531 39.261 38.000 -0.451 0.000 1.401 3 I HN 0.908 nan 8.210 nan 0.000 0.485 4 K N 5.383 125.749 120.400 -0.058 0.000 2.187 4 K HA 0.546 4.863 4.320 -0.005 0.000 0.242 4 K C 0.676 177.411 176.600 0.224 0.000 1.179 4 K CA 0.327 56.660 56.287 0.077 0.000 1.097 4 K CB 0.193 32.749 32.500 0.093 0.000 1.634 4 K HN 0.857 nan 8.250 nan 0.000 0.335 5 A N 0.744 123.696 122.820 0.221 0.000 1.911 5 A HA 0.538 4.855 4.320 -0.005 0.000 0.212 5 A C 1.809 179.603 177.584 0.349 0.000 1.189 5 A CA 1.635 53.895 52.037 0.372 0.000 0.639 5 A CB -0.495 18.694 19.000 0.315 0.000 0.839 5 A HN 2.006 nan 8.150 nan 0.000 0.449 6 G N -0.839 108.090 108.800 0.214 0.000 2.509 6 G HA2 -0.205 3.752 3.960 -0.005 0.000 0.256 6 G HA3 -0.205 3.752 3.960 -0.005 0.000 0.256 6 G C -0.076 174.919 174.900 0.158 0.000 1.152 6 G CA -0.139 45.050 45.100 0.148 0.000 0.951 6 G HN 0.748 nan 8.290 nan 0.000 0.559 7 L N 1.088 122.398 121.223 0.145 0.000 2.410 7 L HA 0.494 4.830 4.340 -0.005 0.000 0.273 7 L C 0.489 177.592 176.870 0.388 0.000 1.144 7 L CA 0.035 55.013 54.840 0.230 0.000 0.863 7 L CB 0.415 42.568 42.059 0.156 0.000 1.140 7 L HN 0.376 nan 8.230 nan 0.000 0.463 8 I N 2.077 122.859 120.570 0.354 0.000 2.433 8 I HA 0.177 4.344 4.170 -0.005 0.000 0.292 8 I C -0.667 175.526 176.117 0.126 0.000 1.001 8 I CA -0.556 60.918 61.300 0.289 0.000 1.119 8 I CB 1.942 40.059 38.000 0.194 0.000 1.289 8 I HN 0.605 nan 8.210 nan 0.000 0.438 9 W N 8.454 129.544 121.300 -0.349 0.000 2.419 9 W HA 0.312 4.969 4.660 -0.005 0.000 0.312 9 W C -0.771 175.557 176.519 -0.319 0.000 1.323 9 W CA -0.303 56.570 57.345 -0.786 0.000 1.293 9 W CB 0.607 29.468 29.460 -0.998 0.000 1.324 9 W HN 0.247 nan 8.180 nan 0.000 0.512 10 M N 7.386 126.607 119.600 -0.632 0.000 2.043 10 M HA 0.098 4.575 4.480 -0.005 0.000 0.322 10 M C 0.186 176.005 176.300 -0.801 0.000 0.962 10 M CA -0.342 54.679 55.300 -0.465 0.000 0.927 10 M CB 0.953 33.445 32.600 -0.179 0.000 1.466 10 M HN 0.519 nan 8.290 nan 0.000 0.412 11 N N 2.864 121.031 118.700 -0.888 0.000 2.702 11 N HA -0.227 4.510 4.740 -0.005 0.000 0.255 11 N C 0.857 175.962 175.510 -0.675 0.000 0.983 11 N CA 1.343 54.009 53.050 -0.639 0.000 0.768 11 N CB -0.590 37.817 38.487 -0.133 0.000 0.918 11 N HN 1.179 nan 8.380 nan 0.000 0.540 12 G N -2.364 105.439 108.800 -1.662 0.000 2.284 12 G HA2 0.078 4.034 3.960 -0.005 0.000 0.201 12 G HA3 0.078 4.034 3.960 -0.005 0.000 0.201 12 G C -0.095 174.497 174.900 -0.513 0.000 0.998 12 G CA 0.261 44.999 45.100 -0.603 0.000 0.651 12 G HN 1.167 nan 8.290 nan 0.000 0.489 13 A N -0.614 121.714 122.820 -0.819 0.000 2.574 13 A HA 0.780 5.097 4.320 -0.005 0.000 0.297 13 A C -0.823 176.539 177.584 -0.371 0.000 1.062 13 A CA -0.700 51.131 52.037 -0.343 0.000 0.686 13 A CB 0.848 19.786 19.000 -0.104 0.000 1.285 13 A HN 0.734 nan 8.150 nan 0.000 0.403 14 F N 0.752 120.696 119.950 -0.010 0.000 2.418 14 F HA 0.494 5.017 4.527 -0.005 0.000 0.341 14 F C 0.824 176.632 175.800 0.013 0.000 1.120 14 F CA 0.454 58.482 58.000 0.048 0.000 1.232 14 F CB 1.650 40.716 39.000 0.109 0.000 1.175 14 F HN 0.580 nan 8.300 nan 0.000 0.569 15 V N 0.417 120.445 119.914 0.191 0.000 3.087 15 V HA 0.628 4.745 4.120 -0.005 0.000 0.306 15 V C -2.999 173.170 176.094 0.126 0.000 1.187 15 V CA -3.026 59.343 62.300 0.116 0.000 0.999 15 V CB 1.833 33.686 31.823 0.050 0.000 1.049 15 V HN 0.412 nan 8.190 nan 0.000 0.431 16 P HA 0.101 nan 4.420 nan 0.000 0.268 16 P C 0.684 178.033 177.300 0.080 0.000 1.208 16 P CA 0.303 63.452 63.100 0.081 0.000 0.777 16 P CB 0.497 32.229 31.700 0.054 0.000 0.875 17 Q N 2.405 122.255 119.800 0.084 0.000 2.112 17 Q HA -0.311 4.026 4.340 -0.005 0.000 0.206 17 Q C 2.187 178.215 176.000 0.047 0.000 0.987 17 Q CA 2.536 58.385 55.803 0.076 0.000 0.858 17 Q CB -0.426 28.356 28.738 0.074 0.000 0.905 17 Q HN 0.579 nan 8.270 nan 0.000 0.420 18 E N 0.916 121.137 120.200 0.036 0.000 2.219 18 E HA -0.238 4.109 4.350 -0.005 0.000 0.198 18 E C 1.331 177.945 176.600 0.023 0.000 0.998 18 E CA 1.662 58.075 56.400 0.022 0.000 0.818 18 E CB -0.586 29.125 29.700 0.018 0.000 0.741 18 E HN 0.739 nan 8.360 nan 0.000 0.477 19 E N -0.794 119.425 120.200 0.033 0.000 2.479 19 E HA 0.345 4.692 4.350 -0.005 0.000 0.193 19 E C 0.788 177.411 176.600 0.038 0.000 1.049 19 E CA 0.211 56.631 56.400 0.032 0.000 0.870 19 E CB 0.701 30.421 29.700 0.033 0.000 0.944 19 E HN 0.447 nan 8.360 nan 0.000 0.492 20 A N 2.314 125.160 122.820 0.043 0.000 2.990 20 A HA 0.168 4.485 4.320 -0.005 0.000 0.282 20 A C -0.170 177.434 177.584 0.033 0.000 1.688 20 A CA 0.031 52.100 52.037 0.053 0.000 1.391 20 A CB -0.267 18.773 19.000 0.066 0.000 1.112 20 A HN -0.023 nan 8.150 nan 0.000 0.588 21 K N -0.046 120.381 120.400 0.045 0.000 2.444 21 K HA 0.757 5.074 4.320 -0.005 0.000 0.252 21 K C -0.762 175.887 176.600 0.082 0.000 0.993 21 K CA -0.684 55.620 56.287 0.027 0.000 0.847 21 K CB 2.325 34.835 32.500 0.016 0.000 1.340 21 K HN 0.345 nan 8.250 nan 0.000 0.446 22 T N -0.587 114.006 114.554 0.065 0.000 2.883 22 T HA 0.222 4.569 4.350 -0.005 0.000 0.301 22 T C -0.975 173.789 174.700 0.107 0.000 1.158 22 T CA -0.493 61.702 62.100 0.158 0.000 1.007 22 T CB 1.625 70.663 68.868 0.284 0.000 1.186 22 T HN 0.532 nan 8.240 nan 0.000 0.499 23 S N 1.197 116.981 115.700 0.139 0.000 2.558 23 S HA 0.046 4.513 4.470 -0.005 0.000 0.288 23 S C 1.721 176.381 174.600 0.100 0.000 1.318 23 S CA 0.092 58.355 58.200 0.105 0.000 1.056 23 S CB 0.192 63.458 63.200 0.110 0.000 0.853 23 S HN 0.919 nan 8.310 nan 0.000 0.505 24 V N 4.353 124.311 119.914 0.073 0.000 3.444 24 V HA 0.138 4.255 4.120 -0.005 0.000 0.271 24 V C 1.192 177.396 176.094 0.183 0.000 1.188 24 V CA 1.120 63.462 62.300 0.070 0.000 1.168 24 V CB -0.969 30.872 31.823 0.030 0.000 0.810 24 V HN 0.803 nan 8.190 nan 0.000 0.500 25 L N 0.378 121.699 121.223 0.163 0.000 2.667 25 L HA 0.303 4.640 4.340 -0.005 0.000 0.232 25 L C 0.973 177.906 176.870 0.106 0.000 1.138 25 L CA -0.127 54.791 54.840 0.131 0.000 0.921 25 L CB 0.012 42.100 42.059 0.049 0.000 1.180 25 L HN 0.209 nan 8.230 nan 0.000 0.487 26 S N -0.435 115.386 115.700 0.203 0.000 2.537 26 S HA -0.045 4.422 4.470 -0.005 0.000 0.286 26 S C 1.305 176.078 174.600 0.288 0.000 1.299 26 S CA -0.242 58.119 58.200 0.268 0.000 1.067 26 S CB 0.527 63.934 63.200 0.346 0.000 0.864 26 S HN 0.290 nan 8.310 nan 0.000 0.494 27 H N 3.230 122.412 119.070 0.187 0.000 2.353 27 H HA -0.196 4.357 4.556 -0.005 0.000 0.298 27 H C 2.107 177.579 175.328 0.241 0.000 1.103 27 H CA 1.986 58.160 56.048 0.210 0.000 1.293 27 H CB -0.201 29.704 29.762 0.238 0.000 1.372 27 H HN 0.743 nan 8.280 nan 0.000 0.501 28 A N 0.588 123.666 122.820 0.429 0.000 2.019 28 A HA -0.111 4.206 4.320 -0.005 0.000 0.219 28 A C 2.459 180.133 177.584 0.150 0.000 1.164 28 A CA 1.100 53.334 52.037 0.328 0.000 0.644 28 A CB -0.574 18.661 19.000 0.391 0.000 0.805 28 A HN 0.387 nan 8.150 nan 0.000 0.449 29 L N -1.308 119.977 121.223 0.103 0.000 2.313 29 L HA -0.011 4.326 4.340 -0.005 0.000 0.214 29 L C 2.037 178.788 176.870 -0.198 0.000 1.119 29 L CA 1.537 56.349 54.840 -0.047 0.000 0.809 29 L CB -0.416 41.608 42.059 -0.059 0.000 0.933 29 L HN 0.527 nan 8.230 nan 0.000 0.449 30 H N -2.776 116.107 119.070 -0.311 0.000 2.557 30 H HA 0.117 4.671 4.556 -0.004 0.000 0.281 30 H C 0.542 175.483 175.328 -0.644 0.000 0.990 30 H CA 1.036 56.711 56.048 -0.622 0.000 1.278 30 H CB 0.415 29.500 29.762 -1.130 0.000 1.451 30 H HN 0.353 nan 8.280 nan 0.000 0.516 31 Y N -0.407 119.916 120.300 0.038 0.000 2.641 31 Y HA 0.292 4.840 4.550 -0.004 0.000 0.248 31 Y C 1.484 177.436 175.900 0.087 0.000 1.170 31 Y CA 0.017 58.126 58.100 0.015 0.000 1.201 31 Y CB 1.229 39.623 38.460 -0.110 0.000 1.232 31 Y HN 0.204 nan 8.280 nan 0.000 0.537 32 G N 1.368 110.287 108.800 0.198 0.000 2.187 32 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.261 32 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.261 32 G C 0.436 175.475 174.900 0.231 0.000 1.000 32 G CA 0.821 46.035 45.100 0.191 0.000 0.718 32 G HN 0.429 nan 8.290 nan 0.000 0.519 33 T N -0.747 113.987 114.554 0.300 0.000 4.313 33 T HA 0.591 4.938 4.350 -0.005 0.000 0.272 33 T C 0.483 175.345 174.700 0.268 0.000 1.298 33 T CA 0.500 62.772 62.100 0.287 0.000 1.124 33 T CB 0.288 69.387 68.868 0.385 0.000 1.352 33 T HN 1.491 nan 8.240 nan 0.000 1.013 34 S N 0.489 116.340 115.700 0.252 0.000 2.651 34 S HA 0.856 5.323 4.470 -0.005 0.000 0.279 34 S C -0.563 174.181 174.600 0.240 0.000 1.148 34 S CA -0.652 57.721 58.200 0.288 0.000 0.837 34 S CB 1.852 65.265 63.200 0.356 0.000 1.138 34 S HN 1.091 nan 8.310 nan 0.000 0.478 35 V N -0.746 119.304 119.914 0.227 0.000 3.007 35 V HA 1.009 5.126 4.120 -0.005 0.000 0.311 35 V C -0.924 175.391 176.094 0.369 0.000 1.120 35 V CA -1.049 61.329 62.300 0.129 0.000 0.980 35 V CB 0.867 32.608 31.823 -0.138 0.000 1.033 35 V HN 1.464 nan 8.190 nan 0.000 0.429 36 F N -0.299 119.818 119.950 0.278 0.000 2.745 36 F HA 0.983 5.507 4.527 -0.004 0.000 0.316 36 F C -0.897 175.095 175.800 0.320 0.000 1.155 36 F CA -0.738 57.482 58.000 0.366 0.000 0.937 36 F CB 1.515 40.631 39.000 0.194 0.000 1.361 36 F HN 0.587 nan 8.300 nan 0.000 0.472 37 E N -0.269 120.206 120.200 0.458 0.000 2.416 37 E HA 0.620 4.967 4.350 -0.005 0.000 0.273 37 E C -1.323 175.381 176.600 0.173 0.000 0.935 37 E CA -0.974 55.563 56.400 0.228 0.000 0.784 37 E CB 2.156 31.890 29.700 0.058 0.000 1.301 37 E HN 1.041 nan 8.360 nan 0.000 0.454 38 G N 1.302 110.107 108.800 0.009 0.000 2.730 38 G HA2 0.644 4.601 3.960 -0.005 0.000 0.291 38 G HA3 0.644 4.601 3.960 -0.005 0.000 0.291 38 G C -0.692 173.813 174.900 -0.659 0.000 1.456 38 G CA -0.325 44.605 45.100 -0.283 0.000 0.996 38 G HN 0.245 nan 8.290 nan 0.000 0.528 39 I N 1.571 121.561 120.570 -0.968 0.000 2.608 39 I HA 0.560 4.727 4.170 -0.005 0.000 0.295 39 I C -0.167 175.512 176.117 -0.729 0.000 1.049 39 I CA -0.993 59.786 61.300 -0.868 0.000 1.063 39 I CB 2.688 40.273 38.000 -0.693 0.000 1.248 39 I HN 0.180 nan 8.210 nan 0.000 0.424 40 R N 3.245 123.466 120.500 -0.465 0.000 2.711 40 R HA 0.847 5.184 4.340 -0.005 0.000 0.284 40 R C -0.981 175.149 176.300 -0.283 0.000 0.968 40 R CA -0.928 54.907 56.100 -0.442 0.000 0.924 40 R CB 2.463 32.470 30.300 -0.487 0.000 1.162 40 R HN 0.762 nan 8.270 nan 0.000 0.465 41 A N 2.636 125.235 122.820 -0.369 0.000 2.342 41 A HA 0.650 4.967 4.320 -0.005 0.000 0.323 41 A C -1.544 175.856 177.584 -0.307 0.000 1.125 41 A CA -0.495 51.423 52.037 -0.198 0.000 0.785 41 A CB 0.811 19.725 19.000 -0.144 0.000 1.221 41 A HN 0.633 nan 8.150 nan 0.000 0.463 42 Y N 0.104 120.340 120.300 -0.107 0.000 2.509 42 Y HA 0.527 5.075 4.550 -0.005 0.000 0.341 42 Y C 0.382 176.260 175.900 -0.037 0.000 1.038 42 Y CA -0.612 57.436 58.100 -0.087 0.000 1.089 42 Y CB 1.734 40.113 38.460 -0.135 0.000 1.241 42 Y HN 0.786 nan 8.280 nan 0.000 0.468 43 E N 1.361 121.653 120.200 0.152 0.000 2.289 43 E HA 0.362 4.709 4.350 -0.005 0.000 0.278 43 E C -0.416 176.258 176.600 0.124 0.000 1.032 43 E CA -0.171 56.299 56.400 0.118 0.000 0.854 43 E CB 0.665 30.425 29.700 0.100 0.000 1.046 43 E HN 0.663 nan 8.360 nan 0.000 0.409 44 T N 0.570 115.204 114.554 0.133 0.000 2.807 44 T HA 0.659 5.006 4.350 -0.005 0.000 0.277 44 T C 0.929 175.709 174.700 0.133 0.000 1.006 44 T CA -0.274 61.916 62.100 0.148 0.000 1.006 44 T CB 1.152 70.169 68.868 0.250 0.000 1.274 44 T HN 0.324 nan 8.240 nan 0.000 0.569 45 A N 0.090 122.981 122.820 0.118 0.000 2.067 45 A HA 0.121 4.438 4.320 -0.005 0.000 0.219 45 A C 1.574 179.197 177.584 0.065 0.000 1.158 45 A CA 0.838 52.919 52.037 0.074 0.000 0.661 45 A CB -0.667 18.363 19.000 0.050 0.000 0.801 45 A HN 0.788 nan 8.150 nan 0.000 0.452 46 K N -0.161 120.300 120.400 0.102 0.000 2.681 46 K HA 0.433 4.750 4.320 -0.005 0.000 0.211 46 K C 0.530 177.220 176.600 0.150 0.000 1.075 46 K CA 0.258 56.570 56.287 0.041 0.000 1.141 46 K CB 0.101 32.484 32.500 -0.195 0.000 0.896 46 K HN 0.560 nan 8.250 nan 0.000 0.470 47 G N 2.022 110.912 108.800 0.150 0.000 2.760 47 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.246 47 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.246 47 G C -2.877 172.132 174.900 0.181 0.000 1.359 47 G CA -1.329 43.859 45.100 0.147 0.000 0.861 47 G HN 0.000 nan 8.290 nan 0.000 0.541 48 P HA 0.429 nan 4.420 nan 0.000 0.265 48 P C -0.153 177.179 177.300 0.053 0.000 1.193 48 P CA 1.162 64.313 63.100 0.086 0.000 0.765 48 P CB 0.959 32.699 31.700 0.067 0.000 0.823 49 A N 4.257 127.064 122.820 -0.021 0.000 2.353 49 A HA 0.554 4.870 4.320 -0.005 0.000 0.299 49 A C -0.432 177.118 177.584 -0.057 0.000 1.089 49 A CA -0.714 51.219 52.037 -0.172 0.000 0.736 49 A CB 0.554 19.282 19.000 -0.453 0.000 1.195 49 A HN 0.426 nan 8.150 nan 0.000 0.447 50 I N 2.104 122.637 120.570 -0.062 0.000 2.441 50 I HA 0.182 4.348 4.170 -0.005 0.000 0.287 50 I C -0.377 175.775 176.117 0.057 0.000 1.049 50 I CA -0.186 61.101 61.300 -0.022 0.000 1.381 50 I CB 0.816 38.774 38.000 -0.069 0.000 1.409 50 I HN 0.667 nan 8.210 nan 0.000 0.523 51 F N 6.447 126.362 119.950 -0.057 0.000 2.421 51 F HA 0.342 4.865 4.527 -0.005 0.000 0.358 51 F C 0.861 176.663 175.800 0.002 0.000 1.115 51 F CA -0.795 57.188 58.000 -0.028 0.000 1.160 51 F CB 0.027 39.024 39.000 -0.005 0.000 1.123 51 F HN 0.429 nan 8.300 nan 0.000 0.508 52 R N 4.809 124.961 120.500 -0.580 0.000 3.158 52 R HA -0.251 4.086 4.340 -0.005 0.000 0.244 52 R C 0.962 177.200 176.300 -0.104 0.000 0.900 52 R CA 0.541 56.367 56.100 -0.457 0.000 0.618 52 R CB -1.699 28.100 30.300 -0.835 0.000 1.061 52 R HN 0.741 nan 8.270 nan 0.000 0.471 53 L N 2.098 123.282 121.223 -0.064 0.000 2.012 53 L HA -0.245 4.092 4.340 -0.005 0.000 0.210 53 L C 2.558 179.428 176.870 -0.000 0.000 1.073 53 L CA 2.325 57.150 54.840 -0.024 0.000 0.748 53 L CB -0.259 41.768 42.059 -0.052 0.000 0.891 53 L HN 0.345 nan 8.230 nan 0.000 0.431 54 K N -0.581 119.806 120.400 -0.022 0.000 2.044 54 K HA -0.218 4.099 4.320 -0.005 0.000 0.210 54 K C 1.773 178.363 176.600 -0.016 0.000 1.049 54 K CA 1.839 58.117 56.287 -0.013 0.000 0.927 54 K CB -1.184 31.307 32.500 -0.014 0.000 0.713 54 K HN 0.426 nan 8.250 nan 0.000 0.443 55 E N 0.698 120.858 120.200 -0.067 0.000 2.077 55 E HA -0.151 4.196 4.350 -0.005 0.000 0.193 55 E C 2.249 178.779 176.600 -0.117 0.000 0.989 55 E CA 0.939 57.267 56.400 -0.119 0.000 0.800 55 E CB -0.347 29.215 29.700 -0.230 0.000 0.746 55 E HN 0.514 nan 8.360 nan 0.000 0.452 56 H N -0.015 119.019 119.070 -0.061 0.000 2.389 56 H HA -0.039 4.514 4.556 -0.005 0.000 0.299 56 H C 2.294 177.643 175.328 0.034 0.000 1.081 56 H CA 1.044 57.072 56.048 -0.033 0.000 1.345 56 H CB 0.082 29.792 29.762 -0.087 0.000 1.393 56 H HN -0.012 nan 8.280 nan 0.000 0.520 57 V N 1.212 121.217 119.914 0.151 0.000 2.427 57 V HA -0.206 3.911 4.120 -0.005 0.000 0.248 57 V C 2.603 178.890 176.094 0.323 0.000 1.051 57 V CA 1.677 64.106 62.300 0.214 0.000 1.048 57 V CB -0.368 31.537 31.823 0.136 0.000 0.666 57 V HN 0.322 nan 8.190 nan 0.000 0.456 58 K N 0.439 120.937 120.400 0.164 0.000 2.063 58 K HA -0.243 4.074 4.320 -0.005 0.000 0.208 58 K C 2.372 179.069 176.600 0.162 0.000 1.048 58 K CA 1.859 58.224 56.287 0.130 0.000 0.928 58 K CB -0.178 32.343 32.500 0.034 0.000 0.713 58 K HN 0.299 nan 8.250 nan 0.000 0.442 59 R N -0.471 120.101 120.500 0.119 0.000 2.115 59 R HA -0.132 4.205 4.340 -0.005 0.000 0.230 59 R C 2.171 178.566 176.300 0.158 0.000 1.111 59 R CA 1.191 57.345 56.100 0.090 0.000 0.976 59 R CB -0.309 30.006 30.300 0.026 0.000 0.870 59 R HN 0.235 nan 8.270 nan 0.000 0.445 60 F N 0.218 120.208 119.950 0.065 0.000 2.095 60 F HA -0.224 4.300 4.527 -0.005 0.000 0.298 60 F C 1.354 177.138 175.800 -0.028 0.000 1.104 60 F CA 1.597 59.602 58.000 0.009 0.000 1.232 60 F CB -0.490 38.512 39.000 0.003 0.000 0.987 60 F HN 0.002 nan 8.300 nan 0.000 0.475 61 Y N 0.283 120.617 120.300 0.056 0.000 2.314 61 Y HA -0.131 4.416 4.550 -0.005 0.000 0.293 61 Y C 2.337 178.192 175.900 -0.076 0.000 1.129 61 Y CA 1.750 59.816 58.100 -0.056 0.000 1.201 61 Y CB -1.086 37.395 38.460 0.035 0.000 0.999 61 Y HN 0.176 nan 8.280 nan 0.000 0.541 62 N N -0.795 117.967 118.700 0.102 0.000 2.142 62 N HA -0.173 4.564 4.740 -0.005 0.000 0.186 62 N C 1.896 177.387 175.510 -0.032 0.000 1.023 62 N CA 1.257 54.325 53.050 0.030 0.000 0.852 62 N CB -0.152 38.348 38.487 0.022 0.000 0.998 62 N HN 0.139 nan 8.380 nan 0.000 0.424 63 S N 0.599 116.258 115.700 -0.067 0.000 2.368 63 S HA -0.121 4.346 4.470 -0.005 0.000 0.225 63 S C 2.099 176.617 174.600 -0.137 0.000 1.030 63 S CA 1.088 59.226 58.200 -0.104 0.000 0.999 63 S CB -0.253 62.873 63.200 -0.124 0.000 0.844 63 S HN 0.457 nan 8.310 nan 0.000 0.459 64 A N 1.572 124.263 122.820 -0.215 0.000 1.933 64 A HA -0.124 4.193 4.320 -0.005 0.000 0.218 64 A C 2.011 179.530 177.584 -0.108 0.000 1.175 64 A CA 1.709 53.622 52.037 -0.208 0.000 0.628 64 A CB -0.504 18.303 19.000 -0.321 0.000 0.814 64 A HN 0.464 nan 8.150 nan 0.000 0.444 65 K N -0.164 120.195 120.400 -0.069 0.000 2.103 65 K HA -0.113 4.204 4.320 -0.005 0.000 0.207 65 K C 1.740 178.315 176.600 -0.042 0.000 1.048 65 K CA 1.571 57.837 56.287 -0.036 0.000 0.930 65 K CB -0.262 32.231 32.500 -0.011 0.000 0.716 65 K HN 0.256 nan 8.250 nan 0.000 0.444 66 V N 1.436 121.320 119.914 -0.050 0.000 2.407 66 V HA -0.217 3.900 4.120 -0.005 0.000 0.248 66 V C 1.980 178.045 176.094 -0.047 0.000 1.055 66 V CA 1.453 63.724 62.300 -0.048 0.000 1.049 66 V CB -0.239 31.550 31.823 -0.056 0.000 0.662 66 V HN 0.349 nan 8.190 nan 0.000 0.455 67 L N -0.752 120.440 121.223 -0.051 0.000 2.611 67 L HA 0.244 4.581 4.340 -0.005 0.000 0.229 67 L C 1.064 177.906 176.870 -0.047 0.000 1.137 67 L CA 0.077 54.892 54.840 -0.042 0.000 0.901 67 L CB -0.167 41.873 42.059 -0.032 0.000 1.098 67 L HN 0.309 nan 8.230 nan 0.000 0.456 68 R N -0.097 120.375 120.500 -0.047 0.000 3.641 68 R HA -0.197 4.140 4.340 -0.005 0.000 0.286 68 R C 0.305 176.572 176.300 -0.055 0.000 1.153 68 R CA 0.582 56.655 56.100 -0.045 0.000 0.775 68 R CB -1.735 28.540 30.300 -0.042 0.000 1.215 68 R HN 0.371 nan 8.270 nan 0.000 0.474 69 M N 1.389 120.950 119.600 -0.066 0.000 2.216 69 M HA 0.144 4.621 4.480 -0.005 0.000 0.356 69 M C -0.120 176.134 176.300 -0.077 0.000 1.205 69 M CA 0.068 55.320 55.300 -0.080 0.000 1.122 69 M CB 0.889 33.431 32.600 -0.096 0.000 1.571 69 M HN -0.078 nan 8.290 nan 0.000 0.464 70 E N 5.545 125.703 120.200 -0.070 0.000 2.134 70 E HA 0.320 4.667 4.350 -0.005 0.000 0.278 70 E C -0.767 175.805 176.600 -0.048 0.000 0.959 70 E CA -0.439 55.933 56.400 -0.046 0.000 0.783 70 E CB 1.336 31.010 29.700 -0.044 0.000 1.095 70 E HN 0.590 nan 8.360 nan 0.000 0.399 71 I N 5.619 126.183 120.570 -0.011 0.000 2.291 71 I HA 0.124 4.291 4.170 -0.005 0.000 0.290 71 I C -1.525 174.660 176.117 0.113 0.000 1.050 71 I CA -2.498 58.825 61.300 0.039 0.000 1.245 71 I CB 0.595 38.546 38.000 -0.083 0.000 1.405 71 I HN 0.118 nan 8.210 nan 0.000 0.478 72 P HA 0.153 nan 4.420 nan 0.000 0.269 72 P C -0.790 176.153 177.300 -0.595 0.000 1.601 72 P CA 0.416 63.351 63.100 -0.276 0.000 0.831 72 P CB -0.370 31.089 31.700 -0.402 0.000 1.688 73 F N -0.213 119.852 119.950 0.191 0.000 2.619 73 F HA 0.544 5.068 4.527 -0.005 0.000 0.308 73 F C 0.233 176.191 175.800 0.264 0.000 1.097 73 F CA -1.333 56.806 58.000 0.232 0.000 0.953 73 F CB 1.283 40.466 39.000 0.305 0.000 1.287 73 F HN -0.171 nan 8.300 nan 0.000 0.446 74 A N 2.757 125.780 122.820 0.339 0.000 2.371 74 A HA 0.511 4.827 4.320 -0.005 0.000 0.257 74 A C -1.951 175.726 177.584 0.156 0.000 1.089 74 A CA -1.247 50.891 52.037 0.167 0.000 0.794 74 A CB 0.237 19.292 19.000 0.091 0.000 1.029 74 A HN 0.602 nan 8.150 nan 0.000 0.488 75 P HA -0.139 nan 4.420 nan 0.000 0.216 75 P C 1.773 179.076 177.300 0.005 0.000 1.153 75 P CA 2.426 65.460 63.100 -0.110 0.000 0.858 75 P CB 0.144 31.636 31.700 -0.347 0.000 0.789 76 E N 0.487 120.682 120.200 -0.009 0.000 2.160 76 E HA -0.275 4.072 4.350 -0.005 0.000 0.195 76 E C 1.845 178.449 176.600 0.008 0.000 0.991 76 E CA 1.618 58.017 56.400 -0.001 0.000 0.810 76 E CB -1.460 28.243 29.700 0.006 0.000 0.742 76 E HN 0.486 nan 8.360 nan 0.000 0.466 77 E N -0.727 119.505 120.200 0.053 0.000 2.072 77 E HA -0.055 4.292 4.350 -0.005 0.000 0.191 77 E C 2.221 178.736 176.600 -0.142 0.000 0.985 77 E CA 0.991 57.420 56.400 0.048 0.000 0.801 77 E CB -0.104 29.730 29.700 0.223 0.000 0.750 77 E HN 0.402 nan 8.360 nan 0.000 0.452 78 L N 1.706 122.850 121.223 -0.131 0.000 2.056 78 L HA -0.161 4.176 4.340 -0.005 0.000 0.207 78 L C 1.891 178.571 176.870 -0.318 0.000 1.078 78 L CA 1.753 56.384 54.840 -0.348 0.000 0.749 78 L CB -0.166 41.835 42.059 -0.095 0.000 0.901 78 L HN 0.029 nan 8.230 nan 0.000 0.433 79 E N -0.865 119.243 120.200 -0.154 0.000 2.110 79 E HA -0.287 4.060 4.350 -0.005 0.000 0.193 79 E C 1.987 178.505 176.600 -0.137 0.000 0.988 79 E CA 1.249 57.572 56.400 -0.127 0.000 0.804 79 E CB -0.027 29.636 29.700 -0.062 0.000 0.745 79 E HN 0.494 nan 8.360 nan 0.000 0.458 80 E N 1.004 121.127 120.200 -0.129 0.000 2.072 80 E HA -0.121 4.225 4.350 -0.005 0.000 0.191 80 E C 1.854 178.373 176.600 -0.135 0.000 0.985 80 E CA 1.340 57.687 56.400 -0.088 0.000 0.801 80 E CB -0.224 29.456 29.700 -0.034 0.000 0.750 80 E HN 0.204 nan 8.360 nan 0.000 0.452 81 A N 0.673 123.284 122.820 -0.348 0.000 1.940 81 A HA -0.141 4.176 4.320 -0.005 0.000 0.219 81 A C 2.360 179.772 177.584 -0.286 0.000 1.176 81 A CA 1.580 53.276 52.037 -0.568 0.000 0.631 81 A CB -0.738 17.233 19.000 -1.714 0.000 0.814 81 A HN 0.382 nan 8.150 nan 0.000 0.446 82 I N -0.630 119.760 120.570 -0.299 0.000 2.252 82 I HA -0.265 3.902 4.170 -0.005 0.000 0.245 82 I C 2.413 178.479 176.117 -0.085 0.000 1.102 82 I CA 1.567 62.751 61.300 -0.194 0.000 1.385 82 I CB -0.247 37.616 38.000 -0.227 0.000 1.064 82 I HN 0.298 nan 8.210 nan 0.000 0.414 83 K N 0.335 120.694 120.400 -0.069 0.000 2.097 83 K HA -0.141 4.176 4.320 -0.005 0.000 0.205 83 K C 2.013 178.614 176.600 0.001 0.000 1.050 83 K CA 0.975 57.245 56.287 -0.028 0.000 0.938 83 K CB -0.063 32.424 32.500 -0.021 0.000 0.718 83 K HN 0.211 nan 8.250 nan 0.000 0.442 84 E N 0.717 120.940 120.200 0.038 0.000 2.152 84 E HA -0.118 4.229 4.350 -0.005 0.000 0.192 84 E C 2.038 178.627 176.600 -0.018 0.000 0.983 84 E CA 0.604 57.019 56.400 0.024 0.000 0.818 84 E CB -0.214 29.570 29.700 0.140 0.000 0.758 84 E HN 0.067 nan 8.360 nan 0.000 0.467 85 V N 0.617 120.663 119.914 0.221 0.000 2.626 85 V HA -0.167 3.950 4.120 -0.005 0.000 0.252 85 V C 2.085 178.249 176.094 0.117 0.000 1.067 85 V CA 1.028 63.496 62.300 0.280 0.000 1.081 85 V CB -0.015 32.010 31.823 0.338 0.000 0.686 85 V HN 0.014 nan 8.190 nan 0.000 0.468 86 V N 1.788 121.750 119.914 0.079 0.000 2.302 86 V HA -0.148 3.969 4.120 -0.005 0.000 0.243 86 V C 2.674 178.761 176.094 -0.012 0.000 1.036 86 V CA 2.259 64.622 62.300 0.106 0.000 1.020 86 V CB -0.746 31.118 31.823 0.068 0.000 0.657 86 V HN 0.653 nan 8.190 nan 0.000 0.453 87 R N 0.744 121.215 120.500 -0.049 0.000 2.090 87 R HA -0.065 4.272 4.340 -0.005 0.000 0.228 87 R C 2.242 178.449 176.300 -0.156 0.000 1.110 87 R CA 1.152 57.203 56.100 -0.081 0.000 0.973 87 R CB -0.584 29.682 30.300 -0.056 0.000 0.869 87 R HN 0.373 nan 8.270 nan 0.000 0.440 88 R N 0.600 120.962 120.500 -0.231 0.000 2.189 88 R HA 0.044 4.381 4.340 -0.005 0.000 0.223 88 R C 1.300 177.429 176.300 -0.285 0.000 1.092 88 R CA 1.005 56.928 56.100 -0.296 0.000 0.989 88 R CB -0.193 29.792 30.300 -0.524 0.000 0.876 88 R HN 0.360 nan 8.270 nan 0.000 0.457 89 N N -0.275 118.210 118.700 -0.357 0.000 2.299 89 N HA 0.012 4.749 4.740 -0.005 0.000 0.187 89 N C 0.719 175.882 175.510 -0.579 0.000 1.099 89 N CA 0.865 53.580 53.050 -0.558 0.000 0.867 89 N CB 1.198 39.084 38.487 -1.001 0.000 0.974 89 N HN 0.343 nan 8.380 nan 0.000 0.477 90 G N 1.011 109.607 108.800 -0.341 0.000 2.176 90 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.252 90 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.252 90 G C -0.265 174.594 174.900 -0.068 0.000 1.024 90 G CA -0.050 44.948 45.100 -0.170 0.000 0.755 90 G HN 0.423 nan 8.290 nan 0.000 0.507 91 Y N -1.228 119.076 120.300 0.007 0.000 2.326 91 Y HA 0.498 5.045 4.550 -0.005 0.000 0.333 91 Y C 1.627 177.531 175.900 0.006 0.000 1.240 91 Y CA -0.056 58.051 58.100 0.012 0.000 1.365 91 Y CB 0.610 39.072 38.460 0.003 0.000 1.289 91 Y HN 0.324 nan 8.280 nan 0.000 0.548 92 R N 0.623 121.243 120.500 0.199 0.000 2.207 92 R HA 0.273 4.610 4.340 -0.005 0.000 0.184 92 R C 0.231 176.562 176.300 0.052 0.000 1.280 92 R CA 0.572 56.737 56.100 0.108 0.000 1.166 92 R CB -0.411 29.947 30.300 0.097 0.000 1.116 92 R HN 0.485 nan 8.270 nan 0.000 0.494 93 S N 0.363 116.081 115.700 0.030 0.000 2.438 93 S HA 0.579 5.046 4.470 -0.005 0.000 0.316 93 S C -0.390 174.156 174.600 -0.090 0.000 1.084 93 S CA -0.210 57.953 58.200 -0.060 0.000 1.107 93 S CB 0.478 63.678 63.200 0.001 0.000 0.981 93 S HN 0.982 nan 8.310 nan 0.000 0.466 94 C N 2.248 121.418 119.300 -0.217 0.000 3.318 94 C HA 0.756 5.213 4.460 -0.005 0.000 0.322 94 C C -1.441 173.335 174.990 -0.358 0.000 1.398 94 C CA -1.224 57.625 59.018 -0.282 0.000 1.339 94 C CB 0.278 27.727 27.740 -0.485 0.000 1.668 94 C HN 0.782 nan 8.230 nan 0.000 0.462 95 Y N 0.912 120.864 120.300 -0.579 0.000 2.352 95 Y HA 0.813 5.360 4.550 -0.005 0.000 0.339 95 Y C -0.493 174.911 175.900 -0.828 0.000 0.992 95 Y CA -0.954 56.733 58.100 -0.689 0.000 1.100 95 Y CB 0.930 39.029 38.460 -0.601 0.000 1.192 95 Y HN 0.723 nan 8.280 nan 0.000 0.458 96 I N 6.610 126.576 120.570 -1.007 0.000 2.378 96 I HA 0.415 4.582 4.170 -0.005 0.000 0.291 96 I C -0.684 174.967 176.117 -0.778 0.000 0.992 96 I CA -0.894 59.970 61.300 -0.727 0.000 1.154 96 I CB 1.557 39.263 38.000 -0.490 0.000 1.315 96 I HN 0.451 nan 8.210 nan 0.000 0.448 97 R N 8.306 128.539 120.500 -0.444 0.000 2.335 97 R HA 0.513 4.850 4.340 -0.005 0.000 0.302 97 R C -2.896 173.370 176.300 -0.057 0.000 1.147 97 R CA -2.214 53.784 56.100 -0.169 0.000 1.111 97 R CB 0.644 31.012 30.300 0.114 0.000 1.122 97 R HN 0.178 nan 8.270 nan 0.000 0.557 98 P HA 0.287 nan 4.420 nan 0.000 0.282 98 P C -1.413 175.941 177.300 0.091 0.000 1.249 98 P CA -0.603 62.374 63.100 -0.205 0.000 0.806 98 P CB 1.202 32.495 31.700 -0.680 0.000 0.984 99 L N 2.099 123.501 121.223 0.299 0.000 2.455 99 L HA 0.793 5.129 4.340 -0.005 0.000 0.264 99 L C -1.575 175.734 176.870 0.732 0.000 0.968 99 L CA -0.620 54.563 54.840 0.571 0.000 0.827 99 L CB 1.804 44.117 42.059 0.424 0.000 1.317 99 L HN 0.431 nan 8.230 nan 0.000 0.407 100 A N 3.955 127.175 122.820 0.665 0.000 2.343 100 A HA 0.857 5.174 4.320 -0.005 0.000 0.308 100 A C -1.783 176.049 177.584 0.413 0.000 1.092 100 A CA -0.333 51.937 52.037 0.389 0.000 0.751 100 A CB 0.674 19.700 19.000 0.043 0.000 1.203 100 A HN 0.938 nan 8.150 nan 0.000 0.452 101 W N 1.944 123.315 121.300 0.118 0.000 3.107 101 W HA 0.737 5.395 4.660 -0.004 0.000 0.331 101 W C -1.126 175.446 176.519 0.089 0.000 1.204 101 W CA -1.277 56.133 57.345 0.108 0.000 1.184 101 W CB 0.986 30.522 29.460 0.126 0.000 1.421 101 W HN 0.360 nan 8.180 nan 0.000 0.544 102 M N 3.532 123.270 119.600 0.230 0.000 2.200 102 M HA 0.322 4.799 4.480 -0.005 0.000 0.355 102 M C 0.642 177.074 176.300 0.219 0.000 1.283 102 M CA -0.128 55.232 55.300 0.100 0.000 1.124 102 M CB 0.115 32.757 32.600 0.069 0.000 1.625 102 M HN 0.867 nan 8.290 nan 0.000 0.463 103 G N 2.010 110.848 108.800 0.063 0.000 2.494 103 G HA2 0.506 4.463 3.960 -0.005 0.000 0.270 103 G HA3 0.506 4.463 3.960 -0.005 0.000 0.270 103 G C 0.063 175.070 174.900 0.179 0.000 1.423 103 G CA -0.158 45.027 45.100 0.143 0.000 1.055 103 G HN 0.804 nan 8.290 nan 0.000 0.536 104 A N -0.971 121.933 122.820 0.141 0.000 2.640 104 A HA 0.324 4.641 4.320 -0.005 0.000 0.282 104 A C 1.674 179.301 177.584 0.070 0.000 1.357 104 A CA -0.041 52.062 52.037 0.111 0.000 0.946 104 A CB -0.222 18.839 19.000 0.102 0.000 1.065 104 A HN 0.559 nan 8.150 nan 0.000 0.541 105 K N -0.071 120.365 120.400 0.059 0.000 2.155 105 K HA 0.219 4.536 4.320 -0.005 0.000 0.203 105 K C 0.712 177.338 176.600 0.042 0.000 1.052 105 K CA 1.180 57.488 56.287 0.034 0.000 0.948 105 K CB 0.013 32.520 32.500 0.012 0.000 0.728 105 K HN 0.581 nan 8.250 nan 0.000 0.448 106 A N -0.104 122.760 122.820 0.073 0.000 2.586 106 A HA 0.503 4.820 4.320 -0.005 0.000 0.290 106 A C -1.029 176.647 177.584 0.153 0.000 1.086 106 A CA -0.701 51.385 52.037 0.082 0.000 0.665 106 A CB 0.810 19.849 19.000 0.065 0.000 1.279 106 A HN 0.085 nan 8.150 nan 0.000 0.423 107 L N 1.273 122.571 121.223 0.125 0.000 3.202 107 L HA 0.341 4.678 4.340 -0.005 0.000 0.278 107 L C 1.027 178.016 176.870 0.197 0.000 1.268 107 L CA -0.059 54.884 54.840 0.171 0.000 1.034 107 L CB 0.581 42.627 42.059 -0.022 0.000 1.407 107 L HN 0.894 nan 8.230 nan 0.000 0.581 108 G N -0.481 108.409 108.800 0.150 0.000 2.503 108 G HA2 0.236 4.193 3.960 -0.005 0.000 0.257 108 G HA3 0.236 4.193 3.960 -0.005 0.000 0.257 108 G C 0.897 175.794 174.900 -0.005 0.000 1.214 108 G CA -0.312 44.818 45.100 0.050 0.000 0.839 108 G HN -0.069 nan 8.290 nan 0.000 0.559 109 V N 1.671 121.448 119.914 -0.227 0.000 2.568 109 V HA -0.102 4.015 4.120 -0.005 0.000 0.253 109 V C 1.375 177.435 176.094 -0.057 0.000 1.072 109 V CA 1.396 63.426 62.300 -0.451 0.000 1.084 109 V CB -0.562 31.010 31.823 -0.419 0.000 0.676 109 V HN 0.691 nan 8.190 nan 0.000 0.469 110 N N 0.936 119.626 118.700 -0.017 0.000 2.452 110 N HA 0.078 4.815 4.740 -0.005 0.000 0.266 110 N C -1.465 174.011 175.510 -0.056 0.000 1.209 110 N CA -1.477 51.559 53.050 -0.023 0.000 0.929 110 N CB 1.496 39.964 38.487 -0.032 0.000 1.063 110 N HN 0.267 nan 8.380 nan 0.000 0.472 111 P HA 0.018 nan 4.420 nan 0.000 0.245 111 P C 1.537 178.696 177.300 -0.235 0.000 1.203 111 P CA 0.306 63.146 63.100 -0.433 0.000 0.792 111 P CB 0.532 31.987 31.700 -0.407 0.000 0.997 112 L N 0.346 121.490 121.223 -0.132 0.000 2.081 112 L HA -0.127 4.210 4.340 -0.005 0.000 0.212 112 L C -0.330 176.490 176.870 -0.083 0.000 1.080 112 L CA 2.067 56.851 54.840 -0.092 0.000 0.754 112 L CB -2.388 39.633 42.059 -0.063 0.000 0.893 112 L HN 0.073 nan 8.230 nan 0.000 0.433 113 P HA -0.086 nan 4.420 nan 0.000 0.225 113 P C 0.603 177.869 177.300 -0.057 0.000 1.148 113 P CA 1.059 64.128 63.100 -0.052 0.000 0.779 113 P CB -0.040 31.642 31.700 -0.030 0.000 0.780 114 N N -1.835 116.810 118.700 -0.092 0.000 2.412 114 N HA -0.008 4.729 4.740 -0.005 0.000 0.184 114 N C 0.451 175.909 175.510 -0.086 0.000 1.101 114 N CA 0.177 53.178 53.050 -0.083 0.000 0.881 114 N CB -0.506 37.911 38.487 -0.117 0.000 0.969 114 N HN 0.080 nan 8.380 nan 0.000 0.459 115 N N 1.941 120.587 118.700 -0.090 0.000 2.416 115 N HA 0.075 4.812 4.740 -0.005 0.000 0.246 115 N C -2.259 173.203 175.510 -0.079 0.000 1.260 115 N CA -0.439 52.559 53.050 -0.086 0.000 0.897 115 N CB 0.351 38.793 38.487 -0.076 0.000 1.110 115 N HN 0.160 nan 8.380 nan 0.000 0.439 116 P HA 0.217 nan 4.420 nan 0.000 0.278 116 P C -1.005 176.222 177.300 -0.122 0.000 1.258 116 P CA -0.492 62.549 63.100 -0.098 0.000 0.811 116 P CB 0.684 32.322 31.700 -0.104 0.000 1.063 117 A N 1.559 124.303 122.820 -0.126 0.000 2.366 117 A HA 0.185 4.502 4.320 -0.005 0.000 0.249 117 A C 0.327 177.761 177.584 -0.249 0.000 1.084 117 A CA -0.265 51.660 52.037 -0.186 0.000 0.794 117 A CB -0.298 18.616 19.000 -0.144 0.000 1.034 117 A HN 0.572 nan 8.150 nan 0.000 0.491 118 E N -0.414 119.461 120.200 -0.542 0.000 2.277 118 E HA 0.529 4.876 4.350 -0.005 0.000 0.274 118 E C -1.066 175.110 176.600 -0.708 0.000 1.022 118 E CA -0.555 55.424 56.400 -0.702 0.000 0.853 118 E CB 1.641 30.641 29.700 -1.166 0.000 1.086 118 E HN 0.373 nan 8.360 nan 0.000 0.397 119 V N 2.351 122.093 119.914 -0.287 0.000 2.789 119 V HA 0.529 4.646 4.120 -0.005 0.000 0.311 119 V C -0.555 175.672 176.094 0.222 0.000 1.073 119 V CA -0.967 61.381 62.300 0.081 0.000 0.921 119 V CB 1.482 33.488 31.823 0.305 0.000 1.009 119 V HN 0.745 nan 8.190 nan 0.000 0.426 120 M N 3.412 123.297 119.600 0.474 0.000 2.569 120 M HA 0.943 5.420 4.480 -0.005 0.000 0.279 120 M C -1.918 174.591 176.300 0.348 0.000 1.253 120 M CA -0.616 54.950 55.300 0.442 0.000 0.867 120 M CB 2.365 35.242 32.600 0.461 0.000 1.727 120 M HN 0.184 nan 8.290 nan 0.000 0.467 121 V N 1.897 121.984 119.914 0.288 0.000 2.524 121 V HA 0.958 5.075 4.120 -0.005 0.000 0.297 121 V C -0.553 175.630 176.094 0.149 0.000 1.035 121 V CA -0.286 62.073 62.300 0.098 0.000 0.867 121 V CB 1.011 32.771 31.823 -0.106 0.000 1.004 121 V HN 1.190 nan 8.190 nan 0.000 0.426 122 A N 3.790 126.697 122.820 0.145 0.000 2.384 122 A HA 1.079 5.396 4.320 -0.005 0.000 0.312 122 A C -0.333 177.331 177.584 0.133 0.000 1.113 122 A CA -0.197 51.980 52.037 0.233 0.000 0.779 122 A CB 2.057 21.256 19.000 0.332 0.000 1.307 122 A HN 1.670 nan 8.150 nan 0.000 0.436 123 A N -0.209 122.750 122.820 0.233 0.000 2.594 123 A HA 0.843 5.160 4.320 -0.005 0.000 0.295 123 A C -1.463 176.222 177.584 0.170 0.000 1.071 123 A CA -0.293 51.724 52.037 -0.034 0.000 0.685 123 A CB 0.785 19.793 19.000 0.013 0.000 1.285 123 A HN 2.055 nan 8.150 nan 0.000 0.405 124 W N 0.204 121.388 121.300 -0.193 0.000 3.167 124 W HA 0.722 5.381 4.660 -0.003 0.000 0.324 124 W C -0.570 175.658 176.519 -0.485 0.000 1.230 124 W CA -0.709 56.429 57.345 -0.345 0.000 1.184 124 W CB 0.604 30.033 29.460 -0.051 0.000 1.414 124 W HN 0.833 nan 8.180 nan 0.000 0.551 125 E N 2.977 123.025 120.200 -0.254 0.000 2.529 125 E HA -0.111 4.236 4.350 -0.005 0.000 0.259 125 E C 0.278 176.953 176.600 0.125 0.000 0.966 125 E CA -0.126 56.204 56.400 -0.116 0.000 0.937 125 E CB 0.677 30.398 29.700 0.034 0.000 0.923 125 E HN 0.565 nan 8.360 nan 0.000 0.468 135 V N 0.474 120.412 119.914 0.040 0.000 2.626 135 V HA 0.168 4.285 4.120 -0.005 0.000 0.252 135 V C 2.581 178.692 176.094 0.029 0.000 1.067 135 V CA 3.709 66.032 62.300 0.038 0.000 1.081 135 V CB -1.720 30.131 31.823 0.047 0.000 0.686 135 V HN 0.931 nan 8.190 nan 0.000 0.468 136 R N 0.291 120.807 120.500 0.028 0.000 2.055 136 R HA 0.096 4.433 4.340 -0.005 0.000 0.228 136 R C 2.464 178.778 176.300 0.024 0.000 1.143 136 R CA 2.376 58.491 56.100 0.024 0.000 0.945 136 R CB -1.217 29.097 30.300 0.023 0.000 0.841 136 R HN 0.789 nan 8.270 nan 0.000 0.429 137 K N -0.311 120.105 120.400 0.027 0.000 2.367 137 K HA 0.469 4.786 4.320 -0.005 0.000 0.194 137 K C 1.205 177.824 176.600 0.031 0.000 1.027 137 K CA 0.918 57.222 56.287 0.029 0.000 1.075 137 K CB -0.475 32.042 32.500 0.029 0.000 0.845 137 K HN 1.895 nan 8.250 nan 0.000 0.529 138 G N -1.014 107.805 108.800 0.032 0.000 2.788 138 G HA2 0.426 4.383 3.960 -0.005 0.000 0.686 138 G HA3 0.426 4.383 3.960 -0.005 0.000 0.686 138 G C -0.009 174.910 174.900 0.032 0.000 1.147 138 G CA -0.221 44.901 45.100 0.037 0.000 0.755 138 G HN 1.293 nan 8.290 nan 0.000 0.634 139 A N 2.150 124.991 122.820 0.036 0.000 2.351 139 A HA 0.807 5.124 4.320 -0.005 0.000 0.257 139 A C 0.831 178.414 177.584 -0.003 0.000 1.087 139 A CA 0.023 52.073 52.037 0.022 0.000 0.798 139 A CB 0.527 19.547 19.000 0.033 0.000 1.033 139 A HN 0.870 nan 8.150 nan 0.000 0.488 140 R N 0.991 121.471 120.500 -0.035 0.000 2.387 140 R HA 0.575 4.912 4.340 -0.005 0.000 0.314 140 R C -1.120 175.099 176.300 -0.134 0.000 0.958 140 R CA -0.301 55.737 56.100 -0.104 0.000 0.846 140 R CB 1.169 31.384 30.300 -0.141 0.000 1.147 140 R HN 0.654 nan 8.270 nan 0.000 0.447 141 L N 3.688 124.821 121.223 -0.151 0.000 2.319 141 L HA 0.680 5.017 4.340 -0.005 0.000 0.267 141 L C -0.144 176.599 176.870 -0.212 0.000 1.011 141 L CA -1.113 53.648 54.840 -0.132 0.000 0.818 141 L CB 1.674 43.698 42.059 -0.058 0.000 1.316 141 L HN 0.468 nan 8.230 nan 0.000 0.432 142 I N 0.043 120.522 120.570 -0.152 0.000 2.582 142 I HA 0.236 4.403 4.170 -0.005 0.000 0.292 142 I C -0.339 175.751 176.117 -0.045 0.000 1.066 142 I CA -0.433 60.779 61.300 -0.146 0.000 1.053 142 I CB 2.696 40.610 38.000 -0.143 0.000 1.241 142 I HN 0.549 nan 8.210 nan 0.000 0.421 143 T N 3.787 118.332 114.554 -0.015 0.000 2.834 143 T HA 0.072 4.419 4.350 -0.005 0.000 0.298 143 T C 0.263 174.975 174.700 0.020 0.000 0.966 143 T CA 0.134 62.236 62.100 0.004 0.000 1.141 143 T CB 0.864 69.738 68.868 0.011 0.000 0.905 143 T HN 0.574 nan 8.240 nan 0.000 0.535 144 S N 1.698 117.419 115.700 0.034 0.000 2.593 144 S HA 0.172 4.639 4.470 -0.005 0.000 0.269 144 S C 1.437 176.060 174.600 0.039 0.000 1.334 144 S CA -0.458 57.789 58.200 0.078 0.000 1.015 144 S CB 0.409 63.689 63.200 0.133 0.000 0.912 144 S HN 0.793 nan 8.310 nan 0.000 0.541 145 S N 1.783 117.492 115.700 0.015 0.000 2.556 145 S HA 0.206 4.673 4.470 -0.005 0.000 0.216 145 S C -0.450 173.962 174.600 -0.313 0.000 0.970 145 S CA -0.623 57.486 58.200 -0.152 0.000 0.912 145 S CB -0.254 62.817 63.200 -0.216 0.000 0.790 145 S HN 0.647 nan 8.310 nan 0.000 0.504 146 W N 1.955 123.243 121.300 -0.020 0.000 2.376 146 W HA 0.739 5.396 4.660 -0.006 0.000 0.312 146 W C 0.183 176.670 176.519 -0.054 0.000 1.060 146 W CA -0.825 56.503 57.345 -0.027 0.000 1.221 146 W CB 1.094 30.539 29.460 -0.025 0.000 1.281 146 W HN 0.181 nan 8.180 nan 0.000 0.456 147 A N 3.591 126.482 122.820 0.117 0.000 2.340 147 A HA 0.629 4.946 4.320 -0.005 0.000 0.268 147 A C 0.047 177.626 177.584 -0.009 0.000 1.100 147 A CA -0.703 51.356 52.037 0.037 0.000 0.803 147 A CB 0.450 19.460 19.000 0.016 0.000 1.043 147 A HN 0.620 nan 8.150 nan 0.000 0.488 148 R N 1.103 121.538 120.500 -0.108 0.000 2.590 148 R HA 0.311 4.648 4.340 -0.005 0.000 0.274 148 R C -0.553 175.615 176.300 -0.221 0.000 1.061 148 R CA -0.319 55.582 56.100 -0.332 0.000 1.081 148 R CB -0.474 29.648 30.300 -0.296 0.000 0.984 148 R HN 0.554 nan 8.270 nan 0.000 0.448 149 F N 3.449 123.418 119.950 0.031 0.000 2.572 149 F HA 0.341 4.865 4.527 -0.005 0.000 0.370 149 F C -1.918 173.894 175.800 0.020 0.000 1.103 149 F CA -3.059 54.959 58.000 0.029 0.000 1.286 149 F CB -0.780 38.229 39.000 0.015 0.000 1.105 149 F HN 0.432 nan 8.300 nan 0.000 0.583 150 P HA 0.123 nan 4.420 nan 0.000 0.270 150 P C 0.282 177.674 177.300 0.152 0.000 1.223 150 P CA 0.208 63.402 63.100 0.156 0.000 0.785 150 P CB 0.777 32.540 31.700 0.105 0.000 0.923 151 A N 2.374 125.255 122.820 0.102 0.000 2.216 151 A HA -0.130 4.187 4.320 -0.005 0.000 0.214 151 A C 1.115 178.712 177.584 0.022 0.000 1.160 151 A CA 1.191 53.265 52.037 0.062 0.000 0.725 151 A CB -1.081 17.947 19.000 0.046 0.000 0.784 151 A HN 0.685 nan 8.150 nan 0.000 0.472 152 N N -0.993 117.724 118.700 0.028 0.000 2.282 152 N HA 0.156 4.893 4.740 -0.005 0.000 0.240 152 N C 0.364 175.878 175.510 0.006 0.000 1.182 152 N CA 0.514 53.570 53.050 0.009 0.000 0.874 152 N CB 0.296 38.792 38.487 0.014 0.000 1.126 152 N HN 0.128 nan 8.380 nan 0.000 0.516 153 V N -0.608 119.309 119.914 0.006 0.000 2.948 153 V HA 0.395 4.512 4.120 -0.005 0.000 0.234 153 V C 0.294 176.338 176.094 -0.082 0.000 1.205 153 V CA 0.709 63.011 62.300 0.003 0.000 1.234 153 V CB 0.218 32.084 31.823 0.073 0.000 1.020 153 V HN 0.175 nan 8.190 nan 0.000 0.491 154 M N 1.632 121.112 119.600 -0.200 0.000 2.446 154 M HA 0.436 4.913 4.480 -0.005 0.000 0.294 154 M C -3.033 172.990 176.300 -0.461 0.000 1.158 154 M CA -1.943 53.072 55.300 -0.475 0.000 0.899 154 M CB 1.989 33.951 32.600 -1.063 0.000 1.687 154 M HN -0.038 nan 8.290 nan 0.000 0.455 155 P HA 0.154 nan 4.420 nan 0.000 0.260 155 P C 0.826 178.006 177.300 -0.199 0.000 1.651 155 P CA 0.116 63.093 63.100 -0.205 0.000 1.139 155 P CB -0.280 31.337 31.700 -0.137 0.000 1.756 156 G N 3.695 112.438 108.800 -0.096 0.000 2.535 156 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.218 156 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.218 156 G C 1.299 176.242 174.900 0.071 0.000 1.122 156 G CA 0.256 45.437 45.100 0.134 0.000 0.769 156 G HN 0.311 nan 8.290 nan 0.000 0.549 157 K N 0.294 120.695 120.400 0.001 0.000 2.426 157 K HA 0.320 4.637 4.320 -0.005 0.000 0.193 157 K C 0.902 177.484 176.600 -0.031 0.000 1.028 157 K CA 0.279 56.551 56.287 -0.025 0.000 1.047 157 K CB 0.527 32.997 32.500 -0.051 0.000 0.821 157 K HN 0.298 nan 8.250 nan 0.000 0.513 158 A N 1.197 123.996 122.820 -0.035 0.000 2.330 158 A HA 0.461 4.778 4.320 -0.005 0.000 0.329 158 A C -0.568 176.999 177.584 -0.029 0.000 1.135 158 A CA -0.660 51.351 52.037 -0.044 0.000 0.817 158 A CB 0.951 19.914 19.000 -0.062 0.000 1.269 158 A HN 0.024 nan 8.150 nan 0.000 0.469 159 K N 1.618 121.974 120.400 -0.074 0.000 2.363 159 K HA 0.365 4.682 4.320 -0.005 0.000 0.240 159 K C -1.041 175.478 176.600 -0.135 0.000 1.169 159 K CA -0.122 56.078 56.287 -0.145 0.000 1.131 159 K CB 0.593 32.777 32.500 -0.526 0.000 1.771 159 K HN 0.374 nan 8.250 nan 0.000 0.380 160 V N 1.469 121.422 119.914 0.065 0.000 2.465 160 V HA 0.077 4.194 4.120 -0.005 0.000 0.279 160 V C 1.727 178.021 176.094 0.334 0.000 1.045 160 V CA -0.019 62.354 62.300 0.122 0.000 0.938 160 V CB 1.312 33.154 31.823 0.032 0.000 0.986 160 V HN 0.868 nan 8.190 nan 0.000 0.467 161 G N 4.320 113.350 108.800 0.384 0.000 2.599 161 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.219 161 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.219 161 G C 1.591 176.721 174.900 0.383 0.000 1.193 161 G CA 1.182 46.557 45.100 0.457 0.000 0.778 161 G HN 0.992 nan 8.290 nan 0.000 0.589 162 G N 0.977 109.919 108.800 0.237 0.000 2.507 162 G HA2 -0.310 3.646 3.960 -0.005 0.000 0.221 162 G HA3 -0.310 3.646 3.960 -0.005 0.000 0.221 162 G C 1.730 176.715 174.900 0.142 0.000 1.119 162 G CA 1.347 46.545 45.100 0.163 0.000 0.751 162 G HN 0.455 nan 8.290 nan 0.000 0.574 163 N N 0.171 118.935 118.700 0.107 0.000 2.149 163 N HA -0.109 4.628 4.740 -0.005 0.000 0.188 163 N C 1.501 177.068 175.510 0.094 0.000 1.019 163 N CA 0.855 53.918 53.050 0.022 0.000 0.857 163 N CB -0.507 37.887 38.487 -0.156 0.000 0.997 163 N HN 0.494 nan 8.380 nan 0.000 0.426 164 Y N 0.051 120.501 120.300 0.249 0.000 2.632 164 Y HA 0.055 4.602 4.550 -0.005 0.000 0.301 164 Y C 1.970 177.932 175.900 0.102 0.000 1.172 164 Y CA -0.045 58.178 58.100 0.206 0.000 1.328 164 Y CB -0.126 38.482 38.460 0.246 0.000 1.016 164 Y HN -0.133 nan 8.280 nan 0.000 0.529 165 V N 0.226 120.227 119.914 0.145 0.000 2.453 165 V HA -0.267 3.850 4.120 -0.005 0.000 0.247 165 V C 2.372 178.419 176.094 -0.079 0.000 1.048 165 V CA 1.863 64.178 62.300 0.026 0.000 1.049 165 V CB -0.401 31.431 31.823 0.015 0.000 0.672 165 V HN 0.578 nan 8.190 nan 0.000 0.457 166 N N -0.011 118.679 118.700 -0.017 0.000 2.142 166 N HA -0.154 4.583 4.740 -0.005 0.000 0.186 166 N C 1.938 177.363 175.510 -0.143 0.000 1.023 166 N CA 1.808 54.800 53.050 -0.097 0.000 0.852 166 N CB 0.087 38.585 38.487 0.019 0.000 0.998 166 N HN 0.417 nan 8.380 nan 0.000 0.424 167 S N 0.646 116.304 115.700 -0.071 0.000 2.368 167 S HA -0.029 4.438 4.470 -0.005 0.000 0.224 167 S C 2.136 176.735 174.600 -0.002 0.000 1.029 167 S CA 1.059 59.248 58.200 -0.018 0.000 0.988 167 S CB -0.336 62.928 63.200 0.107 0.000 0.838 167 S HN 0.562 nan 8.310 nan 0.000 0.462 168 A N 1.605 124.429 122.820 0.006 0.000 1.883 168 A HA -0.055 4.262 4.320 -0.005 0.000 0.217 168 A C 2.133 179.644 177.584 -0.121 0.000 1.186 168 A CA 1.291 53.312 52.037 -0.027 0.000 0.624 168 A CB -0.861 18.128 19.000 -0.019 0.000 0.822 168 A HN 0.444 nan 8.150 nan 0.000 0.444 169 L N -0.839 120.219 121.223 -0.276 0.000 2.042 169 L HA -0.238 4.099 4.340 -0.005 0.000 0.210 169 L C 3.113 179.810 176.870 -0.289 0.000 1.076 169 L CA 1.202 55.753 54.840 -0.481 0.000 0.749 169 L CB -0.536 40.793 42.059 -1.217 0.000 0.893 169 L HN 0.463 nan 8.230 nan 0.000 0.432 170 A N -0.121 122.590 122.820 -0.182 0.000 1.873 170 A HA -0.238 4.079 4.320 -0.005 0.000 0.215 170 A C 2.296 179.901 177.584 0.035 0.000 1.186 170 A CA 1.900 53.951 52.037 0.024 0.000 0.616 170 A CB -0.393 18.628 19.000 0.036 0.000 0.823 170 A HN 0.214 nan 8.150 nan 0.000 0.442 171 K N -0.167 120.238 120.400 0.008 0.000 2.057 171 K HA -0.021 4.296 4.320 -0.005 0.000 0.207 171 K C 1.957 178.570 176.600 0.022 0.000 1.049 171 K CA 1.884 58.185 56.287 0.023 0.000 0.931 171 K CB -0.463 32.053 32.500 0.028 0.000 0.714 171 K HN 0.492 nan 8.250 nan 0.000 0.440 172 M N 0.261 119.865 119.600 0.007 0.000 2.117 172 M HA -0.179 4.298 4.480 -0.005 0.000 0.262 172 M C 2.230 178.559 176.300 0.049 0.000 1.065 172 M CA 1.952 57.262 55.300 0.016 0.000 1.114 172 M CB -0.378 32.221 32.600 -0.002 0.000 1.361 172 M HN 0.336 nan 8.290 nan 0.000 0.408 173 E N 0.490 120.736 120.200 0.077 0.000 2.051 173 E HA -0.205 4.142 4.350 -0.005 0.000 0.192 173 E C 1.925 178.581 176.600 0.093 0.000 0.991 173 E CA 1.444 57.916 56.400 0.119 0.000 0.799 173 E CB 0.008 29.828 29.700 0.199 0.000 0.748 173 E HN 0.464 nan 8.360 nan 0.000 0.449 174 A N 0.630 123.494 122.820 0.073 0.000 1.877 174 A HA -0.144 4.173 4.320 -0.005 0.000 0.216 174 A C 2.438 180.050 177.584 0.048 0.000 1.186 174 A CA 1.600 53.665 52.037 0.048 0.000 0.620 174 A CB -0.761 18.254 19.000 0.025 0.000 0.822 174 A HN 0.241 nan 8.150 nan 0.000 0.443 175 V N -0.161 119.779 119.914 0.044 0.000 2.343 175 V HA -0.236 3.881 4.120 -0.005 0.000 0.247 175 V C 3.028 179.157 176.094 0.058 0.000 1.051 175 V CA 1.899 64.224 62.300 0.042 0.000 1.036 175 V CB -1.184 30.656 31.823 0.027 0.000 0.654 175 V HN 0.615 nan 8.190 nan 0.000 0.451 176 A N -0.154 122.703 122.820 0.062 0.000 2.019 176 A HA -0.024 4.293 4.320 -0.005 0.000 0.219 176 A C 2.232 179.871 177.584 0.092 0.000 1.164 176 A CA 1.759 53.837 52.037 0.068 0.000 0.644 176 A CB -0.508 18.531 19.000 0.066 0.000 0.805 176 A HN 0.588 nan 8.150 nan 0.000 0.449 177 A N -2.016 120.874 122.820 0.117 0.000 2.208 177 A HA 0.417 4.734 4.320 -0.005 0.000 0.209 177 A C 1.717 179.457 177.584 0.260 0.000 1.161 177 A CA 1.200 53.346 52.037 0.181 0.000 0.782 177 A CB -0.707 18.408 19.000 0.192 0.000 0.816 177 A HN 1.831 nan 8.150 nan 0.000 0.477 178 G N -2.415 106.495 108.800 0.183 0.000 2.144 178 G HA2 0.160 4.117 3.960 -0.005 0.000 0.218 178 G HA3 0.160 4.117 3.960 -0.005 0.000 0.218 178 G C 0.336 175.331 174.900 0.158 0.000 0.988 178 G CA 0.276 45.503 45.100 0.211 0.000 0.659 178 G HN 1.475 nan 8.290 nan 0.000 0.522 179 A N -0.529 122.323 122.820 0.054 0.000 2.261 179 A HA 0.754 5.071 4.320 -0.005 0.000 0.323 179 A C 0.984 178.559 177.584 -0.014 0.000 1.107 179 A CA 0.417 52.422 52.037 -0.053 0.000 0.883 179 A CB 0.734 19.646 19.000 -0.147 0.000 1.251 179 A HN 0.023 nan 8.150 nan 0.000 0.502 180 D N -0.854 119.529 120.400 -0.029 0.000 2.216 180 D HA 0.124 4.761 4.640 -0.005 0.000 0.208 180 D C 0.211 176.514 176.300 0.005 0.000 0.960 180 D CA 1.200 55.198 54.000 -0.003 0.000 0.861 180 D CB 0.506 41.307 40.800 0.002 0.000 0.985 180 D HN 0.567 nan 8.370 nan 0.000 0.493 181 E N -0.646 119.550 120.200 -0.006 0.000 2.449 181 E HA 0.580 4.927 4.350 -0.005 0.000 0.278 181 E C -1.802 174.797 176.600 -0.002 0.000 0.992 181 E CA -0.916 55.491 56.400 0.010 0.000 0.807 181 E CB 1.859 31.575 29.700 0.027 0.000 1.350 181 E HN -0.065 nan 8.360 nan 0.000 0.462 182 A N 1.915 124.744 122.820 0.015 0.000 2.325 182 A HA 0.720 5.037 4.320 -0.005 0.000 0.333 182 A C -1.201 176.389 177.584 0.010 0.000 1.155 182 A CA -0.691 51.354 52.037 0.014 0.000 0.814 182 A CB 0.589 19.610 19.000 0.034 0.000 1.206 182 A HN 0.572 nan 8.150 nan 0.000 0.482 183 L N 2.787 124.010 121.223 0.000 0.000 2.298 183 L HA 0.635 4.972 4.340 -0.005 0.000 0.284 183 L C -1.687 175.177 176.870 -0.009 0.000 1.013 183 L CA -0.714 54.121 54.840 -0.008 0.000 0.824 183 L CB 0.906 42.953 42.059 -0.020 0.000 1.221 183 L HN 0.620 nan 8.230 nan 0.000 0.418 184 L N 5.488 126.701 121.223 -0.017 0.000 2.325 184 L HA 0.515 4.852 4.340 -0.005 0.000 0.279 184 L C -0.180 176.669 176.870 -0.035 0.000 1.054 184 L CA -0.068 54.758 54.840 -0.022 0.000 0.804 184 L CB 1.580 43.609 42.059 -0.050 0.000 1.200 184 L HN 0.532 nan 8.230 nan 0.000 0.436 185 L N 1.053 122.258 121.223 -0.030 0.000 2.352 185 L HA 0.497 4.834 4.340 -0.005 0.000 0.269 185 L C -0.294 176.564 176.870 -0.019 0.000 1.034 185 L CA -1.115 53.708 54.840 -0.028 0.000 0.806 185 L CB 1.480 43.513 42.059 -0.043 0.000 1.244 185 L HN 0.649 nan 8.230 nan 0.000 0.447 186 D N -0.758 119.649 120.400 0.011 0.000 2.411 186 D HA 0.017 4.654 4.640 -0.005 0.000 0.251 186 D C 0.604 176.920 176.300 0.027 0.000 1.201 186 D CA -0.509 53.504 54.000 0.022 0.000 0.996 186 D CB 0.681 41.516 40.800 0.057 0.000 1.101 186 D HN 0.466 nan 8.370 nan 0.000 0.504 187 E N -0.901 119.321 120.200 0.037 0.000 2.265 187 E HA -0.175 4.172 4.350 -0.005 0.000 0.196 187 E C 1.132 177.749 176.600 0.027 0.000 0.996 187 E CA 1.133 57.551 56.400 0.029 0.000 0.832 187 E CB -0.054 29.672 29.700 0.042 0.000 0.756 187 E HN 0.476 nan 8.360 nan 0.000 0.491 188 E N -1.611 118.628 120.200 0.065 0.000 2.435 188 E HA 0.181 4.528 4.350 -0.005 0.000 0.195 188 E C 1.181 177.768 176.600 -0.022 0.000 1.029 188 E CA 0.753 57.200 56.400 0.079 0.000 0.865 188 E CB 0.334 30.163 29.700 0.215 0.000 0.833 188 E HN 0.317 nan 8.360 nan 0.000 0.510 189 G N -0.929 107.842 108.800 -0.048 0.000 2.184 189 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.206 189 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.206 189 G C -0.190 174.559 174.900 -0.252 0.000 0.995 189 G CA -0.271 44.725 45.100 -0.174 0.000 0.651 189 G HN 0.210 nan 8.290 nan 0.000 0.511 190 Y N 0.109 120.371 120.300 -0.063 0.000 2.316 190 Y HA 0.534 5.081 4.550 -0.005 0.000 0.324 190 Y C 1.290 177.140 175.900 -0.083 0.000 1.267 190 Y CA -0.683 57.371 58.100 -0.078 0.000 1.311 190 Y CB 1.126 39.549 38.460 -0.062 0.000 1.267 190 Y HN 0.042 nan 8.280 nan 0.000 0.516 191 V N 2.340 122.295 119.914 0.069 0.000 2.655 191 V HA 0.159 4.276 4.120 -0.005 0.000 0.300 191 V C 0.510 176.611 176.094 0.013 0.000 1.044 191 V CA 0.776 63.072 62.300 -0.006 0.000 1.095 191 V CB 0.472 32.264 31.823 -0.052 0.000 0.952 191 V HN 1.043 nan 8.190 nan 0.000 0.485 192 A N 4.305 127.117 122.820 -0.013 0.000 2.213 192 A HA 0.555 4.872 4.320 -0.005 0.000 0.220 192 A C 0.493 178.060 177.584 -0.028 0.000 2.232 192 A CA 0.614 52.639 52.037 -0.020 0.000 1.017 192 A CB 0.303 19.278 19.000 -0.042 0.000 1.372 192 A HN 0.900 nan 8.150 nan 0.000 0.614 193 E N -2.311 117.869 120.200 -0.034 0.000 2.442 193 E HA 0.503 4.850 4.350 -0.005 0.000 0.278 193 E C 0.012 176.607 176.600 -0.010 0.000 1.082 193 E CA -0.611 55.780 56.400 -0.015 0.000 0.861 193 E CB 0.389 30.087 29.700 -0.003 0.000 1.462 193 E HN 0.538 nan 8.360 nan 0.000 0.458 194 G N -0.180 108.632 108.800 0.020 0.000 2.588 194 G HA2 0.261 4.218 3.960 -0.005 0.000 0.281 194 G HA3 0.261 4.218 3.960 -0.005 0.000 0.281 194 G C 0.837 175.756 174.900 0.032 0.000 1.236 194 G CA 0.015 45.133 45.100 0.030 0.000 0.969 194 G HN 0.598 nan 8.290 nan 0.000 0.504 195 S N -1.720 114.008 115.700 0.046 0.000 2.447 195 S HA 0.111 4.578 4.470 -0.005 0.000 0.233 195 S C 1.515 176.198 174.600 0.137 0.000 1.006 195 S CA 1.205 59.440 58.200 0.058 0.000 0.957 195 S CB 0.107 63.346 63.200 0.066 0.000 0.773 195 S HN 1.355 nan 8.310 nan 0.000 0.507 196 G N 1.096 109.989 108.800 0.155 0.000 4.908 196 G HA2 0.441 4.398 3.960 -0.005 0.000 0.267 196 G HA3 0.441 4.398 3.960 -0.005 0.000 0.267 196 G C -0.440 174.574 174.900 0.190 0.000 0.958 196 G CA -0.316 44.922 45.100 0.230 0.000 0.743 196 G HN 0.520 nan 8.290 nan 0.000 0.410 197 E N -0.256 120.030 120.200 0.142 0.000 2.423 197 E HA 0.247 4.594 4.350 -0.005 0.000 0.280 197 E C -1.541 175.123 176.600 0.108 0.000 1.030 197 E CA -0.894 55.586 56.400 0.132 0.000 0.812 197 E CB 0.612 30.388 29.700 0.127 0.000 1.313 197 E HN 0.038 nan 8.360 nan 0.000 0.456 198 N N -0.105 118.670 118.700 0.124 0.000 2.489 198 N HA 0.487 5.224 4.740 -0.005 0.000 0.284 198 N C -0.642 174.937 175.510 0.115 0.000 1.158 198 N CA -0.686 52.421 53.050 0.096 0.000 0.965 198 N CB 0.946 39.495 38.487 0.103 0.000 1.195 198 N HN 0.238 nan 8.380 nan 0.000 0.506 199 L N 1.628 122.861 121.223 0.018 0.000 2.334 199 L HA 0.593 4.930 4.340 -0.005 0.000 0.273 199 L C -0.967 175.836 176.870 -0.112 0.000 1.013 199 L CA -0.315 54.533 54.840 0.013 0.000 0.816 199 L CB 0.867 42.921 42.059 -0.009 0.000 1.278 199 L HN 0.555 nan 8.230 nan 0.000 0.431 200 F N 1.748 121.449 119.950 -0.415 0.000 2.626 200 F HA 0.628 5.151 4.527 -0.005 0.000 0.311 200 F C -0.140 175.448 175.800 -0.353 0.000 1.088 200 F CA -0.811 56.849 58.000 -0.566 0.000 0.949 200 F CB 2.030 40.202 39.000 -1.380 0.000 1.322 200 F HN 0.329 nan 8.300 nan 0.000 0.461 201 F N -0.734 119.182 119.950 -0.057 0.000 2.643 201 F HA 0.932 5.455 4.527 -0.005 0.000 0.314 201 F C -2.013 173.906 175.800 0.199 0.000 1.096 201 F CA -1.424 56.593 58.000 0.029 0.000 0.953 201 F CB 1.262 40.259 39.000 -0.005 0.000 1.345 201 F HN 0.196 nan 8.300 nan 0.000 0.468 202 V N 2.003 122.138 119.914 0.368 0.000 2.588 202 V HA 0.761 4.878 4.120 -0.005 0.000 0.304 202 V C -1.050 175.257 176.094 0.354 0.000 1.042 202 V CA -0.622 61.850 62.300 0.287 0.000 0.877 202 V CB 1.702 33.657 31.823 0.221 0.000 0.996 202 V HN 0.854 nan 8.190 nan 0.000 0.425 203 R N 2.800 123.524 120.500 0.373 0.000 2.515 203 R HA 0.494 4.831 4.340 -0.005 0.000 0.291 203 R C -0.680 175.781 176.300 0.267 0.000 1.046 203 R CA -0.277 56.015 56.100 0.320 0.000 0.914 203 R CB 0.775 31.269 30.300 0.324 0.000 1.191 203 R HN 0.759 nan 8.270 nan 0.000 0.435 204 D N 3.861 124.372 120.400 0.186 0.000 2.689 204 D HA -0.198 4.439 4.640 -0.005 0.000 0.237 204 D C 0.666 177.051 176.300 0.142 0.000 1.148 204 D CA 2.017 56.105 54.000 0.147 0.000 0.656 204 D CB -0.998 39.885 40.800 0.138 0.000 1.050 204 D HN 1.059 nan 8.370 nan 0.000 0.426 205 G N -2.231 106.657 108.800 0.148 0.000 2.245 205 G HA2 -0.351 3.606 3.960 -0.005 0.000 0.264 205 G HA3 -0.351 3.606 3.960 -0.005 0.000 0.264 205 G C 0.441 175.424 174.900 0.140 0.000 0.985 205 G CA 0.357 45.549 45.100 0.153 0.000 0.625 205 G HN 0.609 nan 8.290 nan 0.000 0.536 206 V N 2.062 122.036 119.914 0.101 0.000 2.465 206 V HA 0.537 4.654 4.120 -0.005 0.000 0.279 206 V C 0.878 176.869 176.094 -0.171 0.000 1.045 206 V CA -0.562 61.701 62.300 -0.061 0.000 0.938 206 V CB 1.644 33.376 31.823 -0.153 0.000 0.986 206 V HN 0.306 nan 8.190 nan 0.000 0.467 207 I N 5.135 125.551 120.570 -0.257 0.000 2.342 207 I HA 0.322 4.489 4.170 -0.005 0.000 0.291 207 I C -0.991 174.851 176.117 -0.459 0.000 1.010 207 I CA -0.276 60.904 61.300 -0.201 0.000 1.308 207 I CB 0.746 38.704 38.000 -0.071 0.000 1.400 207 I HN 0.524 nan 8.210 nan 0.000 0.488 208 Y N 5.244 125.310 120.300 -0.389 0.000 2.356 208 Y HA 0.576 5.123 4.550 -0.005 0.000 0.334 208 Y C 0.452 176.062 175.900 -0.484 0.000 0.958 208 Y CA -0.710 57.034 58.100 -0.593 0.000 1.196 208 Y CB 1.510 39.143 38.460 -1.379 0.000 1.137 208 Y HN 0.578 nan 8.280 nan 0.000 0.485 209 A N 3.638 126.274 122.820 -0.306 0.000 2.304 209 A HA 0.679 4.996 4.320 -0.005 0.000 0.301 209 A C -0.840 176.478 177.584 -0.443 0.000 1.132 209 A CA -0.552 51.066 52.037 -0.699 0.000 0.819 209 A CB 0.499 19.093 19.000 -0.678 0.000 1.094 209 A HN 0.658 nan 8.150 nan 0.000 0.492 210 L N 1.615 122.558 121.223 -0.466 0.000 2.395 210 L HA 0.249 4.585 4.340 -0.005 0.000 0.269 210 L C 0.921 177.626 176.870 -0.274 0.000 1.133 210 L CA 0.350 55.047 54.840 -0.239 0.000 0.812 210 L CB 0.509 42.472 42.059 -0.159 0.000 1.125 210 L HN 0.802 nan 8.230 nan 0.000 0.452 211 E N 1.641 121.720 120.200 -0.203 0.000 2.425 211 E HA -0.036 4.311 4.350 -0.005 0.000 0.258 211 E C 0.553 177.038 176.600 -0.192 0.000 1.151 211 E CA -0.290 55.967 56.400 -0.239 0.000 0.958 211 E CB 0.380 29.990 29.700 -0.150 0.000 0.968 211 E HN 0.457 nan 8.360 nan 0.000 0.451 212 H N 0.994 120.023 119.070 -0.068 0.000 2.423 212 H HA -0.143 4.410 4.556 -0.005 0.000 0.297 212 H C 1.827 177.134 175.328 -0.035 0.000 1.075 212 H CA 1.137 57.155 56.048 -0.049 0.000 1.342 212 H CB -0.327 29.416 29.762 -0.033 0.000 1.395 212 H HN 0.719 nan 8.280 nan 0.000 0.530 213 S N 0.426 116.169 115.700 0.072 0.000 4.135 213 S HA -0.329 4.138 4.470 -0.005 0.000 0.538 213 S C 1.742 176.378 174.600 0.059 0.000 1.522 213 S CA 2.969 61.188 58.200 0.032 0.000 3.869 213 S CB -1.463 61.732 63.200 -0.009 0.000 1.628 213 S HN 0.413 nan 8.310 nan 0.000 0.492 214 V N -0.019 119.929 119.914 0.056 0.000 3.514 214 V HA 0.443 4.559 4.120 -0.005 0.000 0.301 214 V C 0.555 176.712 176.094 0.105 0.000 1.346 214 V CA -0.030 62.326 62.300 0.093 0.000 1.156 214 V CB -1.213 30.673 31.823 0.105 0.000 1.029 214 V HN 0.596 nan 8.190 nan 0.000 0.428 215 N N 0.849 119.594 118.700 0.075 0.000 2.413 215 N HA 0.474 5.211 4.740 -0.005 0.000 0.266 215 N C -0.630 174.925 175.510 0.074 0.000 1.238 215 N CA -0.548 52.543 53.050 0.069 0.000 0.972 215 N CB 1.668 40.187 38.487 0.054 0.000 1.210 215 N HN 0.279 nan 8.380 nan 0.000 0.547 216 L N 0.631 121.897 121.223 0.071 0.000 2.371 216 L HA 0.131 4.468 4.340 -0.005 0.000 0.272 216 L C 0.221 177.106 176.870 0.024 0.000 1.124 216 L CA 0.055 54.923 54.840 0.046 0.000 0.816 216 L CB 0.333 42.441 42.059 0.082 0.000 1.129 216 L HN 0.410 nan 8.230 nan 0.000 0.448 217 E N 4.071 124.225 120.200 -0.077 0.000 1.814 217 E HA 0.207 4.554 4.350 -0.005 0.000 0.264 217 E C 0.154 176.743 176.600 -0.019 0.000 1.179 217 E CA -0.240 56.076 56.400 -0.140 0.000 0.972 217 E CB 0.148 29.603 29.700 -0.408 0.000 1.077 217 E HN 0.838 nan 8.360 nan 0.000 0.417 218 G N 2.294 111.131 108.800 0.062 0.000 2.353 218 G HA2 -0.035 3.922 3.960 -0.005 0.000 0.239 218 G HA3 -0.035 3.922 3.960 -0.005 0.000 0.239 218 G C 0.811 175.729 174.900 0.031 0.000 1.295 218 G CA -0.315 44.824 45.100 0.064 0.000 0.884 218 G HN 0.566 nan 8.290 nan 0.000 0.537 219 I N 1.465 122.017 120.570 -0.029 0.000 2.617 219 I HA -0.115 4.052 4.170 -0.005 0.000 0.256 219 I C 2.709 178.813 176.117 -0.022 0.000 1.167 219 I CA 0.986 62.223 61.300 -0.106 0.000 1.469 219 I CB -0.039 37.779 38.000 -0.305 0.000 1.098 219 I HN 0.495 nan 8.210 nan 0.000 0.436 220 T N 0.344 114.931 114.554 0.055 0.000 2.812 220 T HA -0.159 4.188 4.350 -0.005 0.000 0.264 220 T C 1.984 176.706 174.700 0.037 0.000 1.042 220 T CA 1.002 63.117 62.100 0.025 0.000 1.140 220 T CB -0.243 68.606 68.868 -0.032 0.000 0.870 220 T HN 0.313 nan 8.240 nan 0.000 0.445 221 R N 1.275 121.864 120.500 0.148 0.000 2.083 221 R HA -0.188 4.149 4.340 -0.005 0.000 0.237 221 R C 2.167 178.629 176.300 0.269 0.000 1.137 221 R CA 2.288 58.589 56.100 0.336 0.000 0.951 221 R CB -0.521 29.935 30.300 0.260 0.000 0.851 221 R HN 0.410 nan 8.270 nan 0.000 0.434 222 D N -0.424 120.062 120.400 0.144 0.000 2.104 222 D HA -0.136 4.501 4.640 -0.005 0.000 0.194 222 D C 1.690 178.065 176.300 0.125 0.000 0.994 222 D CA 2.056 56.128 54.000 0.119 0.000 0.830 222 D CB 0.050 40.878 40.800 0.046 0.000 0.959 222 D HN 0.219 nan 8.370 nan 0.000 0.452 223 S N -0.777 114.932 115.700 0.016 0.000 2.368 223 S HA -0.136 4.331 4.470 -0.005 0.000 0.225 223 S C 2.193 176.888 174.600 0.157 0.000 1.030 223 S CA 0.947 59.136 58.200 -0.017 0.000 0.999 223 S CB -0.310 62.792 63.200 -0.162 0.000 0.844 223 S HN 0.182 nan 8.310 nan 0.000 0.459 224 V N 2.213 122.171 119.914 0.072 0.000 2.343 224 V HA -0.175 3.942 4.120 -0.005 0.000 0.247 224 V C 2.079 178.240 176.094 0.111 0.000 1.051 224 V CA 1.525 63.828 62.300 0.006 0.000 1.036 224 V CB -0.726 30.992 31.823 -0.175 0.000 0.654 224 V HN 0.448 nan 8.190 nan 0.000 0.451 225 I N -0.330 120.375 120.570 0.225 0.000 2.179 225 I HA -0.252 3.914 4.170 -0.005 0.000 0.242 225 I C 2.770 179.014 176.117 0.211 0.000 1.088 225 I CA 1.811 63.255 61.300 0.239 0.000 1.357 225 I CB -0.441 37.699 38.000 0.232 0.000 1.051 225 I HN 0.229 nan 8.210 nan 0.000 0.409 226 R N 1.429 122.082 120.500 0.255 0.000 2.073 226 R HA -0.169 4.168 4.340 -0.005 0.000 0.234 226 R C 2.344 178.815 176.300 0.286 0.000 1.134 226 R CA 1.614 57.889 56.100 0.291 0.000 0.952 226 R CB -0.233 30.326 30.300 0.432 0.000 0.850 226 R HN 0.285 nan 8.270 nan 0.000 0.433 227 I N 0.809 121.539 120.570 0.267 0.000 2.179 227 I HA -0.270 3.897 4.170 -0.005 0.000 0.242 227 I C 2.624 178.875 176.117 0.223 0.000 1.088 227 I CA 1.373 62.809 61.300 0.227 0.000 1.357 227 I CB -0.447 37.618 38.000 0.107 0.000 1.051 227 I HN 0.319 nan 8.210 nan 0.000 0.409 228 A N 0.788 123.720 122.820 0.187 0.000 1.883 228 A HA -0.265 4.052 4.320 -0.005 0.000 0.217 228 A C 2.318 180.076 177.584 0.291 0.000 1.186 228 A CA 1.911 54.098 52.037 0.250 0.000 0.624 228 A CB -0.529 18.543 19.000 0.119 0.000 0.822 228 A HN 0.345 nan 8.150 nan 0.000 0.444 229 K N -0.579 119.943 120.400 0.203 0.000 2.057 229 K HA -0.136 4.181 4.320 -0.005 0.000 0.207 229 K C 1.522 178.197 176.600 0.125 0.000 1.049 229 K CA 1.393 57.771 56.287 0.152 0.000 0.931 229 K CB -0.260 32.315 32.500 0.126 0.000 0.714 229 K HN 0.397 nan 8.250 nan 0.000 0.440 230 D N 0.985 121.477 120.400 0.152 0.000 2.178 230 D HA -0.130 4.507 4.640 -0.005 0.000 0.201 230 D C 1.629 177.976 176.300 0.079 0.000 0.980 230 D CA 0.984 55.054 54.000 0.116 0.000 0.842 230 D CB -0.021 40.887 40.800 0.179 0.000 0.948 230 D HN 0.171 nan 8.370 nan 0.000 0.472 231 L N -0.690 120.596 121.223 0.105 0.000 2.599 231 L HA 0.135 4.472 4.340 -0.005 0.000 0.230 231 L C 1.533 178.318 176.870 -0.142 0.000 1.141 231 L CA 0.481 55.329 54.840 0.013 0.000 0.877 231 L CB -0.028 42.087 42.059 0.094 0.000 1.009 231 L HN 0.141 nan 8.230 nan 0.000 0.447 232 G N -1.630 107.126 108.800 -0.073 0.000 2.176 232 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.232 232 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.232 232 G C -0.044 174.781 174.900 -0.125 0.000 0.986 232 G CA -0.553 44.476 45.100 -0.118 0.000 0.643 232 G HN 0.184 nan 8.290 nan 0.000 0.522 233 Y N 1.128 121.434 120.300 0.010 0.000 2.346 233 Y HA 0.481 5.028 4.550 -0.005 0.000 0.330 233 Y C 0.930 176.821 175.900 -0.015 0.000 1.178 233 Y CA -0.279 57.821 58.100 -0.001 0.000 1.331 233 Y CB 0.767 39.230 38.460 0.006 0.000 1.253 233 Y HN 0.279 nan 8.280 nan 0.000 0.529 234 E N 2.169 122.454 120.200 0.141 0.000 2.289 234 E HA 0.452 4.799 4.350 -0.005 0.000 0.278 234 E C -1.611 174.968 176.600 -0.035 0.000 1.032 234 E CA -0.386 56.029 56.400 0.026 0.000 0.854 234 E CB 0.723 30.412 29.700 -0.017 0.000 1.046 234 E HN 0.432 nan 8.360 nan 0.000 0.409 235 V N 5.080 124.961 119.914 -0.056 0.000 2.487 235 V HA 0.276 4.393 4.120 -0.005 0.000 0.298 235 V C -0.411 175.583 176.094 -0.167 0.000 1.028 235 V CA -0.737 61.498 62.300 -0.108 0.000 0.860 235 V CB 1.648 33.474 31.823 0.004 0.000 0.991 235 V HN 0.748 nan 8.190 nan 0.000 0.427 236 Q N 2.607 122.223 119.800 -0.306 0.000 2.377 236 Q HA 0.734 5.071 4.340 -0.005 0.000 0.271 236 Q C -1.442 174.461 176.000 -0.163 0.000 1.077 236 Q CA -0.858 54.806 55.803 -0.230 0.000 0.820 236 Q CB 3.174 31.738 28.738 -0.289 0.000 1.347 236 Q HN 0.543 nan 8.270 nan 0.000 0.444 237 V N 2.470 122.326 119.914 -0.097 0.000 2.384 237 V HA 0.580 4.697 4.120 -0.005 0.000 0.287 237 V C -0.115 175.948 176.094 -0.052 0.000 1.020 237 V CA -0.511 61.719 62.300 -0.115 0.000 0.850 237 V CB 1.282 33.016 31.823 -0.149 0.000 0.987 237 V HN 0.640 nan 8.190 nan 0.000 0.436 238 V N 2.579 122.476 119.914 -0.029 0.000 3.182 238 V HA 0.716 4.833 4.120 -0.005 0.000 0.308 238 V C -0.626 175.460 176.094 -0.013 0.000 1.240 238 V CA -1.305 61.004 62.300 0.015 0.000 1.063 238 V CB 2.173 34.069 31.823 0.121 0.000 1.076 238 V HN 0.827 nan 8.190 nan 0.000 0.446 239 R N 0.939 121.420 120.500 -0.032 0.000 2.368 239 R HA 0.851 5.188 4.340 -0.005 0.000 0.302 239 R C -0.434 175.877 176.300 0.019 0.000 1.002 239 R CA 0.296 56.345 56.100 -0.086 0.000 0.929 239 R CB 1.392 31.539 30.300 -0.256 0.000 1.073 239 R HN 1.415 nan 8.270 nan 0.000 0.464 240 A N 2.157 125.014 122.820 0.062 0.000 2.454 240 A HA 0.549 4.866 4.320 -0.005 0.000 0.302 240 A C -0.662 176.958 177.584 0.060 0.000 1.079 240 A CA -0.723 51.338 52.037 0.040 0.000 0.731 240 A CB 1.762 20.755 19.000 -0.013 0.000 1.299 240 A HN 0.829 nan 8.150 nan 0.000 0.413 241 T N -1.739 112.766 114.554 -0.082 0.000 2.948 241 T HA 0.457 4.804 4.350 -0.005 0.000 0.285 241 T C 1.237 175.741 174.700 -0.326 0.000 1.019 241 T CA -0.197 61.799 62.100 -0.174 0.000 1.013 241 T CB 1.230 69.970 68.868 -0.213 0.000 1.117 241 T HN 0.878 nan 8.240 nan 0.000 0.533 242 R N 1.019 121.287 120.500 -0.386 0.000 2.091 242 R HA -0.132 4.205 4.340 -0.005 0.000 0.238 242 R C 1.132 176.832 176.300 -1.000 0.000 1.136 242 R CA 2.067 57.795 56.100 -0.621 0.000 0.959 242 R CB -1.059 28.903 30.300 -0.564 0.000 0.856 242 R HN 0.758 nan 8.270 nan 0.000 0.437 243 D N 0.636 120.608 120.400 -0.713 0.000 2.312 243 D HA -0.154 4.483 4.640 -0.005 0.000 0.211 243 D C 1.685 177.779 176.300 -0.343 0.000 0.964 243 D CA 0.806 54.499 54.000 -0.511 0.000 0.877 243 D CB -0.324 40.385 40.800 -0.152 0.000 0.924 243 D HN 0.468 nan 8.370 nan 0.000 0.515 244 Q N -0.079 119.474 119.800 -0.412 0.000 2.123 244 Q HA 0.047 4.384 4.340 -0.005 0.000 0.199 244 Q C 2.400 178.041 176.000 -0.598 0.000 0.966 244 Q CA 0.613 56.134 55.803 -0.470 0.000 0.845 244 Q CB 0.060 28.459 28.738 -0.565 0.000 0.907 244 Q HN 0.355 nan 8.270 nan 0.000 0.439 245 L N -0.744 120.123 121.223 -0.594 0.000 2.072 245 L HA -0.161 4.176 4.340 -0.005 0.000 0.205 245 L C 2.106 178.900 176.870 -0.127 0.000 1.079 245 L CA 1.236 55.821 54.840 -0.424 0.000 0.752 245 L CB -0.677 41.185 42.059 -0.328 0.000 0.906 245 L HN 0.333 nan 8.230 nan 0.000 0.436 246 Y N -0.244 119.963 120.300 -0.154 0.000 2.193 246 Y HA -0.261 4.286 4.550 -0.005 0.000 0.285 246 Y C 2.512 178.371 175.900 -0.070 0.000 1.166 246 Y CA 0.680 58.726 58.100 -0.090 0.000 1.181 246 Y CB -0.218 38.196 38.460 -0.076 0.000 0.976 246 Y HN 0.204 nan 8.280 nan 0.000 0.520 247 M N -0.305 119.333 119.600 0.064 0.000 2.495 247 M HA 0.160 4.637 4.480 -0.005 0.000 0.237 247 M C 0.907 177.220 176.300 0.021 0.000 1.131 247 M CA -0.253 55.064 55.300 0.029 0.000 1.032 247 M CB 0.172 32.770 32.600 -0.004 0.000 1.513 247 M HN 0.068 nan 8.290 nan 0.000 0.488 248 A N 0.679 123.503 122.820 0.007 0.000 2.346 248 A HA 0.079 4.396 4.320 -0.005 0.000 0.252 248 A C 0.603 178.263 177.584 0.126 0.000 1.089 248 A CA -0.265 51.828 52.037 0.094 0.000 0.797 248 A CB 0.326 19.408 19.000 0.136 0.000 1.047 248 A HN 0.247 nan 8.150 nan 0.000 0.494 249 D N -0.140 120.360 120.400 0.166 0.000 2.213 249 D HA 0.072 4.709 4.640 -0.005 0.000 0.205 249 D C 0.230 176.616 176.300 0.144 0.000 0.961 249 D CA 1.256 55.339 54.000 0.139 0.000 0.853 249 D CB 0.306 41.191 40.800 0.141 0.000 0.967 249 D HN 0.701 nan 8.370 nan 0.000 0.496 250 E N -0.648 119.667 120.200 0.192 0.000 2.413 250 E HA 0.526 4.873 4.350 -0.005 0.000 0.277 250 E C -1.361 175.394 176.600 0.259 0.000 0.958 250 E CA -0.682 55.840 56.400 0.204 0.000 0.779 250 E CB 3.383 33.208 29.700 0.208 0.000 1.278 250 E HN -0.292 nan 8.360 nan 0.000 0.456 251 V N 2.062 122.122 119.914 0.245 0.000 2.888 251 V HA 0.633 4.750 4.120 -0.005 0.000 0.309 251 V C -1.288 174.970 176.094 0.275 0.000 1.114 251 V CA -0.858 61.569 62.300 0.211 0.000 0.940 251 V CB 1.396 33.297 31.823 0.130 0.000 1.021 251 V HN 0.664 nan 8.190 nan 0.000 0.426 252 F N 1.700 121.718 119.950 0.113 0.000 2.668 252 F HA 0.880 5.404 4.527 -0.005 0.000 0.309 252 F C -1.017 174.840 175.800 0.095 0.000 1.117 252 F CA -1.254 56.776 58.000 0.049 0.000 0.951 252 F CB 1.775 40.746 39.000 -0.048 0.000 1.323 252 F HN 0.350 nan 8.300 nan 0.000 0.451 253 M N 1.798 121.554 119.600 0.260 0.000 2.644 253 M HA 0.692 5.169 4.480 -0.005 0.000 0.316 253 M C -0.712 175.716 176.300 0.213 0.000 1.200 253 M CA -0.724 54.689 55.300 0.188 0.000 0.944 253 M CB 2.629 35.308 32.600 0.133 0.000 1.691 253 M HN 0.850 nan 8.290 nan 0.000 0.471 254 T N -1.196 113.470 114.554 0.186 0.000 2.900 254 T HA 0.939 5.286 4.350 -0.005 0.000 0.295 254 T C -0.482 174.278 174.700 0.100 0.000 1.044 254 T CA -0.758 61.403 62.100 0.101 0.000 0.995 254 T CB 2.139 71.082 68.868 0.124 0.000 1.072 254 T HN 1.033 nan 8.240 nan 0.000 0.473 255 G N 0.319 109.148 108.800 0.049 0.000 2.411 255 G HA2 0.444 4.401 3.960 -0.005 0.000 0.295 255 G HA3 0.444 4.401 3.960 -0.005 0.000 0.295 255 G C 0.260 175.218 174.900 0.097 0.000 1.542 255 G CA -0.160 45.003 45.100 0.104 0.000 0.814 255 G HN 0.635 nan 8.290 nan 0.000 0.557 256 T N 0.962 115.609 114.554 0.155 0.000 2.684 256 T HA -0.079 4.268 4.350 -0.005 0.000 0.267 256 T C 2.725 177.456 174.700 0.051 0.000 1.036 256 T CA 2.890 65.076 62.100 0.144 0.000 1.148 256 T CB -0.275 68.689 68.868 0.159 0.000 0.863 256 T HN 0.947 nan 8.240 nan 0.000 0.436 257 A N 1.049 123.925 122.820 0.094 0.000 1.898 257 A HA 0.395 4.712 4.320 -0.005 0.000 0.214 257 A C 2.523 180.210 177.584 0.170 0.000 1.183 257 A CA 1.401 53.462 52.037 0.041 0.000 0.622 257 A CB -0.874 18.250 19.000 0.207 0.000 0.824 257 A HN 0.483 nan 8.150 nan 0.000 0.444 258 A N -1.280 121.635 122.820 0.159 0.000 2.119 258 A HA 0.197 4.514 4.320 -0.005 0.000 0.217 258 A C 0.938 178.577 177.584 0.091 0.000 1.153 258 A CA 1.295 53.420 52.037 0.147 0.000 0.692 258 A CB -0.357 18.716 19.000 0.123 0.000 0.799 258 A HN 0.623 nan 8.150 nan 0.000 0.458 259 E N -2.435 117.790 120.200 0.041 0.000 3.213 259 E HA -0.247 4.100 4.350 -0.005 0.000 0.374 259 E C -0.473 175.995 176.600 -0.220 0.000 1.500 259 E CA 1.505 57.859 56.400 -0.077 0.000 1.497 259 E CB -1.170 28.594 29.700 0.107 0.000 1.692 259 E HN 0.280 nan 8.360 nan 0.000 0.494 260 V N 1.336 121.131 119.914 -0.199 0.000 2.350 260 V HA 0.373 4.490 4.120 -0.005 0.000 0.285 260 V C -0.459 175.595 176.094 -0.065 0.000 1.014 260 V CA -0.253 61.934 62.300 -0.189 0.000 0.831 260 V CB 1.631 33.250 31.823 -0.339 0.000 1.000 260 V HN 0.434 nan 8.190 nan 0.000 0.433 261 T N 7.861 122.433 114.554 0.030 0.000 2.791 261 T HA 0.428 4.775 4.350 -0.005 0.000 0.288 261 T C -2.680 172.084 174.700 0.107 0.000 0.999 261 T CA -1.306 60.831 62.100 0.061 0.000 0.952 261 T CB 1.870 70.788 68.868 0.083 0.000 0.938 261 T HN 0.337 nan 8.240 nan 0.000 0.444 262 P HA 0.250 nan 4.420 nan 0.000 0.271 262 P C -0.906 176.459 177.300 0.108 0.000 1.218 262 P CA -0.430 62.732 63.100 0.103 0.000 0.780 262 P CB 0.597 32.321 31.700 0.040 0.000 0.901 263 V N 2.507 122.499 119.914 0.130 0.000 2.378 263 V HA 0.136 4.253 4.120 -0.005 0.000 0.288 263 V C 1.143 177.281 176.094 0.074 0.000 1.016 263 V CA 0.111 62.464 62.300 0.088 0.000 0.840 263 V CB 1.122 32.997 31.823 0.087 0.000 0.994 263 V HN 0.667 nan 8.190 nan 0.000 0.431 264 S N 3.701 119.429 115.700 0.047 0.000 2.524 264 S HA 0.351 4.818 4.470 -0.005 0.000 0.216 264 S C 0.299 174.916 174.600 0.027 0.000 0.987 264 S CA -0.011 58.215 58.200 0.043 0.000 0.909 264 S CB 0.276 63.498 63.200 0.038 0.000 0.781 264 S HN 0.657 nan 8.310 nan 0.000 0.521 265 M N 0.718 120.319 119.600 0.001 0.000 2.414 265 M HA 0.547 5.024 4.480 -0.005 0.000 0.287 265 M C -2.550 173.702 176.300 -0.081 0.000 1.181 265 M CA -0.660 54.620 55.300 -0.035 0.000 0.933 265 M CB 1.868 34.438 32.600 -0.049 0.000 1.732 265 M HN 0.124 nan 8.290 nan 0.000 0.486 266 I N 3.951 124.474 120.570 -0.079 0.000 2.512 266 I HA 0.317 4.484 4.170 -0.005 0.000 0.287 266 I C -0.803 175.226 176.117 -0.147 0.000 1.069 266 I CA -0.499 60.759 61.300 -0.070 0.000 1.056 266 I CB 2.040 40.108 38.000 0.115 0.000 1.229 266 I HN 0.794 nan 8.210 nan 0.000 0.429 267 D N 5.345 125.568 120.400 -0.296 0.000 2.708 267 D HA -0.238 4.399 4.640 -0.005 0.000 0.236 267 D C -0.131 176.021 176.300 -0.246 0.000 1.146 267 D CA 1.205 55.016 54.000 -0.315 0.000 0.662 267 D CB -0.873 39.897 40.800 -0.051 0.000 1.059 267 D HN 0.819 nan 8.370 nan 0.000 0.428 268 W N -1.985 119.282 121.300 -0.054 0.000 3.520 268 W HA -0.314 4.342 4.660 -0.006 0.000 0.305 268 W C 0.714 177.172 176.519 -0.101 0.000 1.150 268 W CA 0.240 57.547 57.345 -0.063 0.000 0.656 268 W CB -2.098 27.328 29.460 -0.056 0.000 2.198 268 W HN 0.143 nan 8.180 nan 0.000 1.417 269 R N 1.553 122.019 120.500 -0.057 0.000 2.310 269 R HA 0.301 4.638 4.340 -0.005 0.000 0.324 269 R C -1.985 174.282 176.300 -0.056 0.000 0.955 269 R CA -1.884 54.147 56.100 -0.115 0.000 0.830 269 R CB 0.951 31.027 30.300 -0.374 0.000 1.154 269 R HN -0.264 nan 8.270 nan 0.000 0.458 270 P HA 0.010 nan 4.420 nan 0.000 0.268 270 P C -0.367 176.947 177.300 0.024 0.000 1.204 270 P CA -0.004 63.106 63.100 0.016 0.000 0.768 270 P CB 0.827 32.544 31.700 0.027 0.000 0.842 271 I N 2.711 123.305 120.570 0.041 0.000 2.312 271 I HA 0.233 4.400 4.170 -0.005 0.000 0.291 271 I C 1.717 177.873 176.117 0.065 0.000 1.031 271 I CA 0.625 61.963 61.300 0.063 0.000 1.293 271 I CB -0.408 37.639 38.000 0.078 0.000 1.403 271 I HN 0.764 nan 8.210 nan 0.000 0.484 272 G N 5.534 114.373 108.800 0.066 0.000 2.622 272 G HA2 -0.450 3.507 3.960 -0.005 0.000 0.307 272 G HA3 -0.450 3.507 3.960 -0.005 0.000 0.307 272 G C 1.078 176.009 174.900 0.052 0.000 1.226 272 G CA 0.960 46.099 45.100 0.064 0.000 0.997 272 G HN 0.728 nan 8.290 nan 0.000 0.551 273 K N 0.577 121.008 120.400 0.052 0.000 2.504 273 K HA 0.467 4.784 4.320 -0.005 0.000 0.195 273 K C 2.983 179.607 176.600 0.041 0.000 1.036 273 K CA 1.792 58.104 56.287 0.043 0.000 0.984 273 K CB -0.757 31.768 32.500 0.042 0.000 0.788 273 K HN 2.755 nan 8.250 nan 0.000 0.488 274 G N -0.408 108.419 108.800 0.044 0.000 2.143 274 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.249 274 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.249 274 G C 0.435 175.359 174.900 0.041 0.000 0.981 274 G CA 1.375 46.500 45.100 0.041 0.000 0.665 274 G HN 1.519 nan 8.290 nan 0.000 0.528 275 T N -3.139 111.440 114.554 0.043 0.000 2.812 275 T HA 0.855 5.202 4.350 -0.005 0.000 0.294 275 T C 0.320 175.046 174.700 0.043 0.000 1.159 275 T CA 0.326 62.450 62.100 0.039 0.000 1.008 275 T CB 1.540 70.428 68.868 0.034 0.000 1.289 275 T HN 1.842 nan 8.240 nan 0.000 0.514 276 A N 0.332 123.174 122.820 0.037 0.000 2.546 276 A HA 0.555 4.872 4.320 -0.005 0.000 0.243 276 A C 0.938 178.541 177.584 0.031 0.000 1.063 276 A CA 0.248 52.305 52.037 0.034 0.000 0.757 276 A CB -0.893 18.119 19.000 0.021 0.000 0.991 276 A HN 1.314 nan 8.150 nan 0.000 0.503 277 G N 1.858 110.679 108.800 0.036 0.000 2.502 277 G HA2 0.521 4.478 3.960 -0.005 0.000 0.305 277 G HA3 0.521 4.478 3.960 -0.005 0.000 0.305 277 G C -1.110 173.795 174.900 0.008 0.000 1.190 277 G CA -0.851 44.270 45.100 0.035 0.000 0.933 277 G HN 0.494 nan 8.290 nan 0.000 0.503 278 P HA -0.093 nan 4.420 nan 0.000 0.217 278 P C 1.920 179.213 177.300 -0.013 0.000 1.151 278 P CA 0.706 63.814 63.100 0.014 0.000 0.828 278 P CB 0.189 31.914 31.700 0.043 0.000 0.788 279 V N 1.119 121.015 119.914 -0.031 0.000 2.307 279 V HA -0.209 3.908 4.120 -0.005 0.000 0.245 279 V C 2.945 178.855 176.094 -0.307 0.000 1.045 279 V CA 2.292 64.507 62.300 -0.142 0.000 1.024 279 V CB -1.724 29.988 31.823 -0.185 0.000 0.651 279 V HN 0.103 nan 8.190 nan 0.000 0.449 280 A N -0.221 122.409 122.820 -0.317 0.000 1.902 280 A HA -0.150 4.167 4.320 -0.005 0.000 0.217 280 A C 2.213 179.584 177.584 -0.355 0.000 1.181 280 A CA 1.780 53.490 52.037 -0.546 0.000 0.623 280 A CB -0.574 18.243 19.000 -0.304 0.000 0.818 280 A HN 0.499 nan 8.150 nan 0.000 0.443 281 L N -1.228 119.888 121.223 -0.177 0.000 2.083 281 L HA -0.162 4.175 4.340 -0.005 0.000 0.209 281 L C 2.804 179.616 176.870 -0.097 0.000 1.083 281 L CA 1.671 56.447 54.840 -0.107 0.000 0.752 281 L CB -0.428 41.603 42.059 -0.047 0.000 0.899 281 L HN 0.455 nan 8.230 nan 0.000 0.433 282 R N 0.496 120.941 120.500 -0.091 0.000 2.073 282 R HA -0.109 4.228 4.340 -0.005 0.000 0.229 282 R C 2.345 178.605 176.300 -0.068 0.000 1.120 282 R CA 1.087 57.164 56.100 -0.037 0.000 0.967 282 R CB -0.105 30.219 30.300 0.041 0.000 0.862 282 R HN 0.292 nan 8.270 nan 0.000 0.436 283 L N 0.334 121.446 121.223 -0.185 0.000 2.083 283 L HA -0.165 4.172 4.340 -0.005 0.000 0.209 283 L C 2.887 179.653 176.870 -0.173 0.000 1.083 283 L CA 1.410 56.115 54.840 -0.225 0.000 0.752 283 L CB -0.517 41.246 42.059 -0.493 0.000 0.899 283 L HN 0.286 nan 8.230 nan 0.000 0.433 284 R N 0.502 120.880 120.500 -0.204 0.000 2.070 284 R HA -0.248 4.089 4.340 -0.005 0.000 0.233 284 R C 2.258 178.552 176.300 -0.011 0.000 1.137 284 R CA 2.017 58.051 56.100 -0.109 0.000 0.945 284 R CB -0.121 30.115 30.300 -0.107 0.000 0.845 284 R HN 0.205 nan 8.270 nan 0.000 0.430 285 E N 0.204 120.389 120.200 -0.026 0.000 2.051 285 E HA -0.135 4.212 4.350 -0.005 0.000 0.192 285 E C 1.861 178.459 176.600 -0.004 0.000 0.991 285 E CA 1.801 58.196 56.400 -0.008 0.000 0.799 285 E CB -0.252 29.445 29.700 -0.005 0.000 0.748 285 E HN 0.228 nan 8.360 nan 0.000 0.449 286 V N 0.410 120.331 119.914 0.012 0.000 2.407 286 V HA -0.235 3.882 4.120 -0.005 0.000 0.248 286 V C 2.177 178.275 176.094 0.006 0.000 1.055 286 V CA 2.011 64.331 62.300 0.033 0.000 1.049 286 V CB -0.805 31.061 31.823 0.071 0.000 0.662 286 V HN 0.414 nan 8.190 nan 0.000 0.455 287 Y N 0.417 120.632 120.300 -0.141 0.000 2.181 287 Y HA -0.210 4.337 4.550 -0.005 0.000 0.288 287 Y C 2.232 177.956 175.900 -0.293 0.000 1.146 287 Y CA 1.631 59.597 58.100 -0.223 0.000 1.164 287 Y CB -0.093 38.221 38.460 -0.243 0.000 0.982 287 Y HN 0.142 nan 8.280 nan 0.000 0.515 288 L N -0.012 121.072 121.223 -0.232 0.000 2.093 288 L HA -0.191 4.146 4.340 -0.005 0.000 0.208 288 L C 2.243 178.918 176.870 -0.325 0.000 1.085 288 L CA 1.589 56.215 54.840 -0.356 0.000 0.755 288 L CB -0.500 41.478 42.059 -0.134 0.000 0.904 288 L HN 0.299 nan 8.230 nan 0.000 0.435 289 E N 0.128 120.223 120.200 -0.174 0.000 2.150 289 E HA -0.176 4.171 4.350 -0.005 0.000 0.193 289 E C 2.297 178.840 176.600 -0.093 0.000 0.985 289 E CA 1.029 57.373 56.400 -0.093 0.000 0.814 289 E CB -0.091 29.600 29.700 -0.015 0.000 0.752 289 E HN 0.492 nan 8.360 nan 0.000 0.466 290 A N 1.166 123.903 122.820 -0.139 0.000 1.873 290 A HA -0.141 4.176 4.320 -0.005 0.000 0.215 290 A C 2.532 180.019 177.584 -0.162 0.000 1.186 290 A CA 1.560 53.572 52.037 -0.042 0.000 0.616 290 A CB -0.871 18.075 19.000 -0.091 0.000 0.823 290 A HN 0.235 nan 8.150 nan 0.000 0.442 291 V N -1.673 117.884 119.914 -0.596 0.000 2.759 291 V HA -0.105 4.011 4.120 -0.005 0.000 0.256 291 V C 1.960 177.795 176.094 -0.431 0.000 1.080 291 V CA 2.226 64.078 62.300 -0.747 0.000 1.101 291 V CB -1.765 29.043 31.823 -1.692 0.000 0.698 291 V HN 0.661 nan 8.190 nan 0.000 0.477 292 T N -2.734 111.630 114.554 -0.317 0.000 3.188 292 T HA 0.456 4.803 4.350 -0.005 0.000 0.250 292 T C 1.505 176.206 174.700 0.001 0.000 1.077 292 T CA 0.500 62.530 62.100 -0.116 0.000 0.967 292 T CB -0.071 68.745 68.868 -0.086 0.000 1.006 292 T HN 1.601 nan 8.240 nan 0.000 0.552 293 G N 2.224 111.035 108.800 0.019 0.000 2.176 293 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.252 293 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.252 293 G C 0.935 175.892 174.900 0.096 0.000 1.024 293 G CA 0.032 45.204 45.100 0.120 0.000 0.755 293 G HN 0.459 nan 8.290 nan 0.000 0.507 294 R N -0.557 119.975 120.500 0.053 0.000 2.290 294 R HA 0.142 4.479 4.340 -0.005 0.000 0.197 294 R C 0.844 177.170 176.300 0.044 0.000 0.913 294 R CA 0.295 56.419 56.100 0.041 0.000 1.040 294 R CB 0.172 30.485 30.300 0.021 0.000 0.992 294 R HN 0.406 nan 8.270 nan 0.000 0.500 295 R N 1.060 121.603 120.500 0.072 0.000 2.272 295 R HA 0.283 4.620 4.340 -0.005 0.000 0.323 295 R C -2.135 174.160 176.300 -0.008 0.000 1.002 295 R CA -2.082 54.051 56.100 0.054 0.000 0.900 295 R CB 1.128 31.542 30.300 0.191 0.000 1.151 295 R HN -0.156 nan 8.270 nan 0.000 0.507 296 P HA -0.242 nan 4.420 nan 0.000 0.216 296 P C 1.214 178.410 177.300 -0.174 0.000 1.150 296 P CA 1.241 64.296 63.100 -0.076 0.000 0.843 296 P CB 0.318 31.974 31.700 -0.073 0.000 0.787 297 E N -0.693 119.312 120.200 -0.326 0.000 2.267 297 E HA -0.209 4.138 4.350 -0.005 0.000 0.197 297 E C 0.660 176.827 176.600 -0.722 0.000 0.998 297 E CA 1.438 57.505 56.400 -0.556 0.000 0.830 297 E CB -1.029 28.212 29.700 -0.766 0.000 0.751 297 E HN 0.448 nan 8.360 nan 0.000 0.491 298 Y N -0.059 120.101 120.300 -0.233 0.000 2.636 298 Y HA 0.245 4.792 4.550 -0.005 0.000 0.260 298 Y C 1.716 177.515 175.900 -0.168 0.000 1.177 298 Y CA -0.401 57.464 58.100 -0.392 0.000 1.209 298 Y CB 0.682 38.970 38.460 -0.288 0.000 1.166 298 Y HN -0.043 nan 8.280 nan 0.000 0.531 299 E N 1.076 121.277 120.200 0.001 0.000 2.160 299 E HA -0.135 4.212 4.350 -0.005 0.000 0.195 299 E C 2.390 179.044 176.600 0.089 0.000 0.991 299 E CA 1.398 57.851 56.400 0.089 0.000 0.810 299 E CB -0.387 29.357 29.700 0.074 0.000 0.742 299 E HN 0.526 nan 8.360 nan 0.000 0.466 300 G N -0.656 108.141 108.800 -0.005 0.000 2.498 300 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.219 300 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.219 300 G C 0.825 175.807 174.900 0.137 0.000 1.119 300 G CA 0.572 45.685 45.100 0.022 0.000 0.766 300 G HN 0.254 nan 8.290 nan 0.000 0.552 301 W N -0.191 121.116 121.300 0.012 0.000 2.905 301 W HA 0.412 5.069 4.660 -0.005 0.000 0.251 301 W C 0.037 176.470 176.519 -0.143 0.000 1.305 301 W CA -0.502 56.767 57.345 -0.126 0.000 1.465 301 W CB -0.323 29.049 29.460 -0.146 0.000 1.122 301 W HN -0.036 nan 8.180 nan 0.000 0.659 302 L N 0.035 121.355 121.223 0.162 0.000 2.322 302 L HA 0.371 4.708 4.340 -0.005 0.000 0.279 302 L C 0.432 177.259 176.870 -0.072 0.000 1.036 302 L CA 0.042 54.877 54.840 -0.007 0.000 0.807 302 L CB 1.479 43.436 42.059 -0.170 0.000 1.226 302 L HN -0.424 nan 8.230 nan 0.000 0.433 303 T N 2.048 116.525 114.554 -0.129 0.000 2.977 303 T HA 0.382 4.729 4.350 -0.005 0.000 0.346 303 T C -0.658 173.986 174.700 -0.093 0.000 1.140 303 T CA -0.345 61.724 62.100 -0.051 0.000 1.040 303 T CB -0.198 68.657 68.868 -0.022 0.000 1.046 303 T HN 0.110 nan 8.240 nan 0.000 0.494 304 Y N 1.885 122.210 120.300 0.043 0.000 2.569 304 Y HA 0.063 4.611 4.550 -0.005 0.000 0.332 304 Y C 1.720 177.633 175.900 0.023 0.000 1.120 304 Y CA -0.352 57.771 58.100 0.037 0.000 1.416 304 Y CB 0.373 38.852 38.460 0.033 0.000 1.210 304 Y HN 0.378 nan 8.280 nan 0.000 0.528 305 V N 2.964 122.956 119.914 0.131 0.000 2.515 305 V HA -0.216 3.901 4.120 -0.005 0.000 0.250 305 V C 0.751 176.893 176.094 0.080 0.000 1.058 305 V CA 1.322 63.668 62.300 0.077 0.000 1.064 305 V CB -0.704 31.148 31.823 0.047 0.000 0.675 305 V HN 0.767 nan 8.190 nan 0.000 0.461 306 N N 0.000 118.765 118.700 0.109 0.000 1.763 306 N HA 0.000 4.737 4.740 -0.005 0.000 0.220 306 N CA 0.000 53.092 53.050 0.070 0.000 0.885 306 N CB 0.000 38.525 38.487 0.062 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667