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 2wsa_1_A DATA FIRST_RESID 11 DATA SEQUENCE AHAFWSTQPV PQTEDEDEKI VFAGPMDEPK TVADIPEEPY PIASTFEWWT DATA SEQUENCE PNMEAADDIH AIYELLRDNY VEDDDSMFRF NYSEEFLQWA LCPPNYIPDW DATA SEQUENCE HVAVRRKADK KLLAFIAGVP VTLRMGTPKY MKVKAQEKGE GEEAAKYDEP DATA SEQUENCE RHICEINFLC VHKQLREKRL APILIKEATR RVNRTNVWQA VYTAGVLLPT DATA SEQUENCE PYASGQYFHR SLNPEKLVEI RFSGIPAQYQ KFQNPMAMLK RNYQLPSAPK DATA SEQUENCE NSGLREMKPS DVPQVRRILM NYLDSFDVGP VFSDAEISHY LLPRDGVVFT DATA SEQUENCE YVVENDKKVT DFFSFYRIPS TVIGNSNYNL LNAAYVHYYA ATSIPLHQLI DATA SEQUENCE LDLLIVAHSR GFDVCNMVEI LDNRSFVEQL KFGAGDGHLR YYFYNWAYPK DATA SEQUENCE IKPSQVALVM L 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.400 177.584 -0.307 0.000 1.274 11 A CA 0.000 51.959 52.037 -0.131 0.000 0.836 11 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 12 H N 1.484 120.628 119.070 0.125 0.000 2.854 12 H HA 0.476 5.076 4.556 0.073 0.000 0.275 12 H C 1.071 176.491 175.328 0.153 0.000 1.198 12 H CA 0.178 56.334 56.048 0.180 0.000 1.489 12 H CB 1.434 31.347 29.762 0.251 0.000 1.519 12 H HN 0.934 nan 8.280 nan 0.000 0.503 13 A N 2.768 125.712 122.820 0.207 0.000 2.024 13 A HA -0.212 4.152 4.320 0.073 0.000 0.220 13 A C 1.720 179.410 177.584 0.177 0.000 1.164 13 A CA 1.413 53.545 52.037 0.158 0.000 0.643 13 A CB -0.329 18.747 19.000 0.127 0.000 0.806 13 A HN 0.510 nan 8.150 nan 0.000 0.451 14 F N -1.961 118.010 119.950 0.034 0.000 2.298 14 F HA 0.147 4.717 4.527 0.072 0.000 0.282 14 F C 1.855 177.563 175.800 -0.153 0.000 1.045 14 F CA 0.469 58.390 58.000 -0.132 0.000 1.280 14 F CB -0.654 38.161 39.000 -0.308 0.000 1.114 14 F HN 0.285 nan 8.300 nan 0.000 0.546 15 W N 1.309 122.547 121.300 -0.103 0.000 2.392 15 W HA -0.161 4.542 4.660 0.072 0.000 0.279 15 W C 2.839 179.249 176.519 -0.182 0.000 1.225 15 W CA 1.519 58.713 57.345 -0.251 0.000 1.233 15 W CB -0.674 28.708 29.460 -0.130 0.000 1.122 15 W HN 0.219 nan 8.180 nan 0.000 0.561 16 S N -0.805 114.971 115.700 0.128 0.000 2.469 16 S HA -0.177 4.337 4.470 0.073 0.000 0.238 16 S C 1.593 176.190 174.600 -0.006 0.000 0.998 16 S CA 1.497 59.749 58.200 0.086 0.000 0.957 16 S CB -1.068 62.201 63.200 0.116 0.000 0.764 16 S HN 0.323 nan 8.310 nan 0.000 0.514 17 T N -2.092 112.392 114.554 -0.116 0.000 3.107 17 T HA 0.234 4.628 4.350 0.073 0.000 0.249 17 T C 0.517 175.118 174.700 -0.165 0.000 1.096 17 T CA -0.327 61.696 62.100 -0.128 0.000 1.012 17 T CB -0.048 68.742 68.868 -0.131 0.000 0.977 17 T HN 0.205 nan 8.240 nan 0.000 0.527 18 Q N 2.001 121.682 119.800 -0.198 0.000 2.248 18 Q HA 0.393 4.776 4.340 0.073 0.000 0.263 18 Q C -2.718 173.224 176.000 -0.096 0.000 1.007 18 Q CA -2.660 53.041 55.803 -0.169 0.000 0.877 18 Q CB 1.719 30.335 28.738 -0.204 0.000 1.315 18 Q HN 0.112 nan 8.270 nan 0.000 0.454 19 P HA 0.092 nan 4.420 nan 0.000 0.231 19 P C -0.613 176.582 177.300 -0.175 0.000 1.811 19 P CA -0.017 62.972 63.100 -0.186 0.000 1.051 19 P CB -0.119 31.451 31.700 -0.216 0.000 1.951 20 V N -0.732 119.165 119.914 -0.028 0.000 2.962 20 V HA 0.709 4.872 4.120 0.073 0.000 0.313 20 V C -3.022 173.109 176.094 0.061 0.000 1.099 20 V CA -3.415 58.920 62.300 0.059 0.000 0.971 20 V CB 1.838 33.739 31.823 0.130 0.000 1.028 20 V HN -0.095 nan 8.190 nan 0.000 0.430 21 P HA 0.218 nan 4.420 nan 0.000 0.265 21 P C 0.054 177.385 177.300 0.052 0.000 1.193 21 P CA 0.100 63.236 63.100 0.060 0.000 0.765 21 P CB 0.483 32.230 31.700 0.079 0.000 0.823 22 Q N 0.441 120.268 119.800 0.045 0.000 2.339 22 Q HA 0.068 4.451 4.340 0.073 0.000 0.205 22 Q C 0.792 176.823 176.000 0.052 0.000 0.925 22 Q CA 1.145 56.979 55.803 0.051 0.000 0.898 22 Q CB 0.119 28.893 28.738 0.059 0.000 1.013 22 Q HN 0.623 nan 8.270 nan 0.000 0.504 23 T N -3.223 111.358 114.554 0.045 0.000 2.864 23 T HA 0.353 4.746 4.350 0.073 0.000 0.299 23 T C 0.714 175.436 174.700 0.035 0.000 1.166 23 T CA -0.761 61.365 62.100 0.044 0.000 1.007 23 T CB 1.974 70.867 68.868 0.041 0.000 1.219 23 T HN -0.264 nan 8.240 nan 0.000 0.506 24 E N 0.774 120.992 120.200 0.031 0.000 2.077 24 E HA -0.135 4.259 4.350 0.073 0.000 0.193 24 E C 1.463 178.075 176.600 0.019 0.000 0.989 24 E CA 1.421 57.835 56.400 0.024 0.000 0.800 24 E CB -0.301 29.409 29.700 0.016 0.000 0.746 24 E HN 0.667 nan 8.360 nan 0.000 0.452 25 D N 0.724 121.134 120.400 0.017 0.000 2.133 25 D HA -0.187 4.497 4.640 0.073 0.000 0.195 25 D C 1.888 178.192 176.300 0.006 0.000 0.997 25 D CA 1.088 55.094 54.000 0.010 0.000 0.840 25 D CB -0.209 40.598 40.800 0.011 0.000 0.947 25 D HN 0.359 nan 8.370 nan 0.000 0.452 26 E N 0.364 120.571 120.200 0.011 0.000 2.077 26 E HA -0.189 4.204 4.350 0.073 0.000 0.193 26 E C 1.166 177.767 176.600 0.003 0.000 0.989 26 E CA 1.208 57.612 56.400 0.006 0.000 0.800 26 E CB 0.104 29.813 29.700 0.015 0.000 0.746 26 E HN 0.120 nan 8.360 nan 0.000 0.452 27 D N 0.493 120.904 120.400 0.019 0.000 2.178 27 D HA -0.146 4.538 4.640 0.073 0.000 0.201 27 D C 1.524 177.832 176.300 0.013 0.000 0.980 27 D CA 1.012 55.029 54.000 0.030 0.000 0.842 27 D CB -0.060 40.772 40.800 0.054 0.000 0.948 27 D HN 0.316 nan 8.370 nan 0.000 0.472 28 E N -0.198 120.006 120.200 0.006 0.000 2.274 28 E HA -0.099 4.294 4.350 0.073 0.000 0.194 28 E C 1.376 177.957 176.600 -0.033 0.000 0.996 28 E CA 0.676 57.075 56.400 -0.002 0.000 0.840 28 E CB 0.191 29.891 29.700 0.000 0.000 0.772 28 E HN 0.034 nan 8.360 nan 0.000 0.491 29 K N 0.179 120.552 120.400 -0.045 0.000 2.426 29 K HA 0.137 4.500 4.320 0.073 0.000 0.193 29 K C 0.180 176.702 176.600 -0.130 0.000 1.028 29 K CA 0.138 56.378 56.287 -0.078 0.000 1.047 29 K CB 0.292 32.756 32.500 -0.060 0.000 0.821 29 K HN 0.057 nan 8.250 nan 0.000 0.513 30 I N 1.478 121.976 120.570 -0.121 0.000 2.452 30 I HA -0.047 4.167 4.170 0.073 0.000 0.287 30 I C 1.152 177.101 176.117 -0.279 0.000 1.079 30 I CA -0.216 60.976 61.300 -0.180 0.000 1.387 30 I CB 1.090 39.019 38.000 -0.119 0.000 1.404 30 I HN -0.110 nan 8.210 nan 0.000 0.522 31 V N 3.157 122.796 119.914 -0.458 0.000 3.539 31 V HA 0.342 4.505 4.120 0.073 0.000 0.262 31 V C -0.007 175.685 176.094 -0.670 0.000 1.381 31 V CA 0.160 62.075 62.300 -0.641 0.000 1.060 31 V CB -0.068 31.246 31.823 -0.849 0.000 0.842 31 V HN 0.396 nan 8.190 nan 0.000 0.445 32 F N 1.557 121.380 119.950 -0.210 0.000 2.563 32 F HA 0.910 5.480 4.527 0.072 0.000 0.316 32 F C 0.556 176.186 175.800 -0.284 0.000 1.076 32 F CA -1.297 56.574 58.000 -0.214 0.000 0.921 32 F CB 1.369 40.285 39.000 -0.141 0.000 1.209 32 F HN 0.107 nan 8.300 nan 0.000 0.462 33 A N 1.197 123.970 122.820 -0.078 0.000 2.462 33 A HA 0.695 5.059 4.320 0.073 0.000 0.243 33 A C 0.418 177.691 177.584 -0.518 0.000 1.076 33 A CA 0.709 52.572 52.037 -0.290 0.000 0.773 33 A CB -0.308 18.763 19.000 0.118 0.000 1.010 33 A HN 1.373 nan 8.150 nan 0.000 0.493 34 G N 1.346 109.306 108.800 -1.401 0.000 2.328 34 G HA2 0.512 4.516 3.960 0.073 0.000 0.295 34 G HA3 0.512 4.516 3.960 0.073 0.000 0.295 34 G C -3.526 170.517 174.900 -1.429 0.000 1.413 34 G CA -0.595 43.558 45.100 -1.579 0.000 0.817 34 G HN 0.574 nan 8.290 nan 0.000 0.546 35 P HA 0.221 nan 4.420 nan 0.000 0.272 35 P C 0.771 177.963 177.300 -0.181 0.000 1.230 35 P CA -0.205 62.747 63.100 -0.246 0.000 0.788 35 P CB 0.884 32.542 31.700 -0.070 0.000 0.949 36 M N -0.511 119.049 119.600 -0.066 0.000 2.299 36 M HA 0.065 4.589 4.480 0.073 0.000 0.264 36 M C 0.638 176.913 176.300 -0.041 0.000 1.095 36 M CA 1.199 56.464 55.300 -0.058 0.000 1.165 36 M CB -0.792 31.787 32.600 -0.036 0.000 1.349 36 M HN 0.326 nan 8.290 nan 0.000 0.446 37 D N 1.534 121.921 120.400 -0.022 0.000 2.411 37 D HA 0.125 4.809 4.640 0.073 0.000 0.251 37 D C -0.301 175.977 176.300 -0.036 0.000 1.201 37 D CA -0.177 53.814 54.000 -0.015 0.000 0.996 37 D CB 0.612 41.425 40.800 0.021 0.000 1.101 37 D HN 0.194 nan 8.370 nan 0.000 0.504 38 E N 0.071 120.247 120.200 -0.040 0.000 2.414 38 E HA 0.273 4.666 4.350 0.073 0.000 0.263 38 E C -2.249 174.270 176.600 -0.134 0.000 1.000 38 E CA -1.325 55.035 56.400 -0.066 0.000 0.914 38 E CB -0.245 29.425 29.700 -0.049 0.000 0.948 38 E HN 0.063 nan 8.360 nan 0.000 0.444 39 P HA 0.007 nan 4.420 nan 0.000 0.264 39 P C -0.856 176.254 177.300 -0.318 0.000 1.193 39 P CA 0.256 63.195 63.100 -0.268 0.000 0.763 39 P CB 0.538 32.132 31.700 -0.177 0.000 0.810 40 K N 0.867 120.914 120.400 -0.588 0.000 2.444 40 K HA 0.621 4.985 4.320 0.073 0.000 0.252 40 K C -0.306 176.000 176.600 -0.490 0.000 0.993 40 K CA -0.728 55.278 56.287 -0.468 0.000 0.847 40 K CB 2.282 34.560 32.500 -0.370 0.000 1.340 40 K HN 0.272 nan 8.250 nan 0.000 0.446 41 T N -0.323 114.184 114.554 -0.079 0.000 2.952 41 T HA 0.185 4.578 4.350 0.073 0.000 0.286 41 T C 1.302 176.234 174.700 0.387 0.000 1.024 41 T CA -0.656 61.526 62.100 0.137 0.000 1.029 41 T CB 1.381 70.297 68.868 0.081 0.000 1.094 41 T HN 0.228 nan 8.240 nan 0.000 0.515 42 V N 2.886 123.033 119.914 0.389 0.000 2.380 42 V HA -0.158 4.005 4.120 0.073 0.000 0.251 42 V C 2.843 179.037 176.094 0.167 0.000 1.063 42 V CA 2.483 64.939 62.300 0.260 0.000 1.055 42 V CB -1.180 30.737 31.823 0.157 0.000 0.657 42 V HN 0.985 nan 8.190 nan 0.000 0.455 43 A N -0.415 122.485 122.820 0.134 0.000 1.972 43 A HA -0.254 4.110 4.320 0.073 0.000 0.219 43 A C 1.932 179.572 177.584 0.094 0.000 1.169 43 A CA 1.898 53.989 52.037 0.091 0.000 0.635 43 A CB -0.566 18.475 19.000 0.068 0.000 0.810 43 A HN 0.547 nan 8.150 nan 0.000 0.446 44 D N -0.207 120.265 120.400 0.120 0.000 2.309 44 D HA -0.035 4.649 4.640 0.073 0.000 0.212 44 D C 0.414 176.792 176.300 0.130 0.000 0.968 44 D CA 0.580 54.650 54.000 0.116 0.000 0.882 44 D CB -0.090 40.782 40.800 0.120 0.000 0.918 44 D HN 0.274 nan 8.370 nan 0.000 0.503 45 I N 2.125 122.782 120.570 0.145 0.000 2.342 45 I HA 0.179 4.393 4.170 0.073 0.000 0.291 45 I C -2.082 174.078 176.117 0.071 0.000 1.010 45 I CA -2.792 58.579 61.300 0.117 0.000 1.308 45 I CB 0.457 38.517 38.000 0.101 0.000 1.400 45 I HN -0.343 nan 8.210 nan 0.000 0.488 46 P HA -0.006 nan 4.420 nan 0.000 0.261 46 P C 0.708 178.024 177.300 0.028 0.000 1.173 46 P CA 0.316 63.444 63.100 0.047 0.000 0.760 46 P CB 0.774 32.508 31.700 0.056 0.000 0.783 47 E N 1.724 121.938 120.200 0.023 0.000 2.285 47 E HA -0.071 4.323 4.350 0.073 0.000 0.194 47 E C 0.164 176.768 176.600 0.007 0.000 0.997 47 E CA 0.367 56.774 56.400 0.011 0.000 0.845 47 E CB 0.335 30.044 29.700 0.014 0.000 0.782 47 E HN 0.538 nan 8.360 nan 0.000 0.491 48 E N 1.589 121.799 120.200 0.016 0.000 2.331 48 E HA 0.158 4.551 4.350 0.073 0.000 0.272 48 E C -2.338 174.272 176.600 0.017 0.000 1.036 48 E CA -1.952 54.462 56.400 0.023 0.000 0.864 48 E CB 0.826 30.544 29.700 0.029 0.000 1.035 48 E HN 0.056 nan 8.360 nan 0.000 0.408 49 P HA -0.101 nan 4.420 nan 0.000 0.268 49 P C -0.518 176.846 177.300 0.105 0.000 1.208 49 P CA 0.195 63.277 63.100 -0.030 0.000 0.777 49 P CB 0.184 31.877 31.700 -0.012 0.000 0.875 50 Y N 3.532 123.823 120.300 -0.015 0.000 2.712 50 Y HA 0.042 4.636 4.550 0.073 0.000 0.333 50 Y C -1.785 174.331 175.900 0.361 0.000 1.225 50 Y CA -1.072 57.119 58.100 0.151 0.000 1.499 50 Y CB -0.566 37.974 38.460 0.133 0.000 1.288 50 Y HN 0.383 nan 8.280 nan 0.000 0.575 51 P HA 0.201 nan 4.420 nan 0.000 0.268 51 P C -0.902 176.496 177.300 0.163 0.000 1.205 51 P CA 0.359 63.438 63.100 -0.037 0.000 0.771 51 P CB 0.606 32.174 31.700 -0.220 0.000 0.858 52 I N 0.651 121.293 120.570 0.120 0.000 2.913 52 I HA 0.568 4.782 4.170 0.073 0.000 0.302 52 I C -0.691 175.411 176.117 -0.025 0.000 1.246 52 I CA -1.365 59.968 61.300 0.054 0.000 1.010 52 I CB 2.028 39.936 38.000 -0.153 0.000 1.259 52 I HN 0.340 nan 8.210 nan 0.000 0.434 53 A N 3.339 126.116 122.820 -0.072 0.000 2.555 53 A HA 0.131 4.495 4.320 0.073 0.000 0.233 53 A C 1.320 178.756 177.584 -0.245 0.000 1.060 53 A CA 0.709 52.611 52.037 -0.223 0.000 0.759 53 A CB 0.127 18.858 19.000 -0.449 0.000 0.995 53 A HN 0.999 nan 8.150 nan 0.000 0.506 54 S N 0.973 116.554 115.700 -0.198 0.000 2.442 54 S HA -0.173 4.340 4.470 0.073 0.000 0.236 54 S C 1.403 175.909 174.600 -0.157 0.000 1.007 54 S CA 1.736 59.855 58.200 -0.136 0.000 0.965 54 S CB -0.965 62.175 63.200 -0.101 0.000 0.773 54 S HN 1.303 nan 8.310 nan 0.000 0.504 55 T N -1.815 112.562 114.554 -0.294 0.000 3.148 55 T HA 0.325 4.719 4.350 0.073 0.000 0.253 55 T C 0.102 174.756 174.700 -0.078 0.000 1.134 55 T CA -0.301 61.651 62.100 -0.246 0.000 1.051 55 T CB -0.490 68.175 68.868 -0.338 0.000 0.959 55 T HN 0.253 nan 8.240 nan 0.000 0.525 56 F N 2.123 122.007 119.950 -0.109 0.000 2.557 56 F HA 0.723 5.294 4.527 0.073 0.000 0.336 56 F C 0.229 175.923 175.800 -0.176 0.000 1.058 56 F CA -2.363 55.544 58.000 -0.155 0.000 0.988 56 F CB 1.558 40.423 39.000 -0.224 0.000 1.275 56 F HN 0.277 nan 8.300 nan 0.000 0.488 57 E N -0.554 119.660 120.200 0.022 0.000 2.372 57 E HA 0.345 4.738 4.350 0.073 0.000 0.279 57 E C -2.142 174.418 176.600 -0.067 0.000 0.946 57 E CA -0.987 55.390 56.400 -0.037 0.000 0.769 57 E CB 1.376 31.119 29.700 0.071 0.000 1.230 57 E HN 0.487 nan 8.360 nan 0.000 0.442 58 W N 1.657 123.066 121.300 0.180 0.000 2.190 58 W HA 0.327 5.031 4.660 0.074 0.000 0.330 58 W C -0.429 176.261 176.519 0.285 0.000 1.299 58 W CA -0.059 57.402 57.345 0.192 0.000 1.215 58 W CB 0.634 30.180 29.460 0.143 0.000 1.147 58 W HN 0.477 nan 8.180 nan 0.000 0.563 59 W N 3.156 124.665 121.300 0.349 0.000 2.998 59 W HA 0.474 5.179 4.660 0.075 0.000 0.335 59 W C -1.084 175.582 176.519 0.245 0.000 1.110 59 W CA -1.387 56.099 57.345 0.234 0.000 1.230 59 W CB 1.639 31.196 29.460 0.161 0.000 1.405 59 W HN 0.023 nan 8.180 nan 0.000 0.493 60 T N 8.211 122.559 114.554 -0.342 0.000 2.853 60 T HA 0.315 4.708 4.350 0.073 0.000 0.317 60 T C -2.383 171.798 174.700 -0.865 0.000 1.059 60 T CA -1.078 60.778 62.100 -0.405 0.000 0.954 60 T CB 0.743 69.531 68.868 -0.133 0.000 0.994 60 T HN 0.150 nan 8.240 nan 0.000 0.479 61 P HA 0.178 nan 4.420 nan 0.000 0.275 61 P C -0.409 176.724 177.300 -0.278 0.000 1.228 61 P CA -0.625 61.865 63.100 -1.017 0.000 0.786 61 P CB 0.702 31.842 31.700 -0.934 0.000 0.927 62 N N 2.370 121.008 118.700 -0.103 0.000 2.415 62 N HA 0.109 4.893 4.740 0.073 0.000 0.246 62 N C 0.623 176.165 175.510 0.054 0.000 1.078 62 N CA -0.199 52.874 53.050 0.039 0.000 0.942 62 N CB 0.066 38.594 38.487 0.069 0.000 1.140 62 N HN 0.205 nan 8.380 nan 0.000 0.501 63 M N 2.221 121.883 119.600 0.103 0.000 2.686 63 M HA 0.083 4.606 4.480 0.073 0.000 0.246 63 M C 0.914 177.206 176.300 -0.014 0.000 1.096 63 M CA 0.743 56.048 55.300 0.008 0.000 1.076 63 M CB 0.133 32.711 32.600 -0.038 0.000 1.504 63 M HN 0.533 nan 8.290 nan 0.000 0.524 64 E N -1.045 119.178 120.200 0.037 0.000 2.460 64 E HA 0.248 4.641 4.350 0.073 0.000 0.200 64 E C 0.205 176.826 176.600 0.034 0.000 1.011 64 E CA -0.013 56.404 56.400 0.028 0.000 0.912 64 E CB 0.397 30.135 29.700 0.063 0.000 0.953 64 E HN 0.351 nan 8.360 nan 0.000 0.494 65 A N 1.291 124.140 122.820 0.048 0.000 2.269 65 A HA 0.517 4.880 4.320 0.073 0.000 0.302 65 A C 1.254 178.872 177.584 0.056 0.000 1.266 65 A CA 0.262 52.333 52.037 0.056 0.000 0.894 65 A CB 0.617 19.665 19.000 0.079 0.000 1.147 65 A HN 0.179 nan 8.150 nan 0.000 0.537 66 A N 2.574 125.419 122.820 0.042 0.000 1.915 66 A HA -0.300 4.064 4.320 0.073 0.000 0.220 66 A C 1.747 179.377 177.584 0.078 0.000 1.198 66 A CA 2.731 54.792 52.037 0.039 0.000 0.647 66 A CB -0.804 18.204 19.000 0.012 0.000 0.825 66 A HN 0.931 nan 8.150 nan 0.000 0.456 67 D N -0.957 119.495 120.400 0.087 0.000 2.117 67 D HA -0.155 4.528 4.640 0.073 0.000 0.197 67 D C 1.310 177.728 176.300 0.197 0.000 0.987 67 D CA 1.668 55.747 54.000 0.132 0.000 0.829 67 D CB -0.220 40.651 40.800 0.119 0.000 0.961 67 D HN 0.394 nan 8.370 nan 0.000 0.460 68 D N -0.333 120.184 120.400 0.195 0.000 2.117 68 D HA -0.071 4.612 4.640 0.073 0.000 0.198 68 D C 2.183 178.563 176.300 0.134 0.000 0.982 68 D CA 0.620 54.778 54.000 0.263 0.000 0.828 68 D CB -0.222 40.702 40.800 0.207 0.000 0.967 68 D HN 0.377 nan 8.370 nan 0.000 0.464 69 I N 0.143 120.756 120.570 0.073 0.000 2.208 69 I HA -0.307 3.906 4.170 0.073 0.000 0.245 69 I C 2.321 178.482 176.117 0.073 0.000 1.097 69 I CA 1.220 62.527 61.300 0.012 0.000 1.363 69 I CB -0.272 37.734 38.000 0.009 0.000 1.051 69 I HN 0.092 nan 8.210 nan 0.000 0.413 70 H N 1.035 120.134 119.070 0.048 0.000 2.353 70 H HA -0.141 4.458 4.556 0.072 0.000 0.300 70 H C 2.172 177.590 175.328 0.150 0.000 1.090 70 H CA 1.724 57.832 56.048 0.101 0.000 1.327 70 H CB -0.014 29.784 29.762 0.059 0.000 1.383 70 H HN 0.302 nan 8.280 nan 0.000 0.508 71 A N 0.995 123.881 122.820 0.110 0.000 1.883 71 A HA -0.160 4.203 4.320 0.073 0.000 0.217 71 A C 2.315 179.872 177.584 -0.044 0.000 1.186 71 A CA 1.809 53.877 52.037 0.052 0.000 0.624 71 A CB -0.620 18.494 19.000 0.191 0.000 0.822 71 A HN 0.464 nan 8.150 nan 0.000 0.444 72 I N -1.510 119.002 120.570 -0.097 0.000 2.252 72 I HA -0.199 4.015 4.170 0.073 0.000 0.245 72 I C 2.378 178.313 176.117 -0.304 0.000 1.102 72 I CA 1.393 62.490 61.300 -0.339 0.000 1.385 72 I CB -1.678 35.908 38.000 -0.690 0.000 1.064 72 I HN 0.589 nan 8.210 nan 0.000 0.414 73 Y N 2.414 122.537 120.300 -0.295 0.000 2.102 73 Y HA -0.298 4.295 4.550 0.072 0.000 0.280 73 Y C 2.506 178.286 175.900 -0.200 0.000 1.178 73 Y CA 2.165 60.127 58.100 -0.230 0.000 1.146 73 Y CB -0.361 37.994 38.460 -0.176 0.000 0.968 73 Y HN 0.277 nan 8.280 nan 0.000 0.504 74 E N -0.182 119.762 120.200 -0.427 0.000 2.077 74 E HA -0.223 4.171 4.350 0.073 0.000 0.193 74 E C 2.108 178.526 176.600 -0.303 0.000 0.989 74 E CA 1.231 57.379 56.400 -0.421 0.000 0.800 74 E CB -0.412 29.142 29.700 -0.242 0.000 0.746 74 E HN 0.478 nan 8.360 nan 0.000 0.452 75 L N 1.169 122.265 121.223 -0.212 0.000 1.990 75 L HA -0.217 4.166 4.340 0.073 0.000 0.213 75 L C 2.098 178.886 176.870 -0.137 0.000 1.072 75 L CA 1.692 56.452 54.840 -0.133 0.000 0.755 75 L CB -0.360 41.653 42.059 -0.078 0.000 0.889 75 L HN 0.110 nan 8.230 nan 0.000 0.432 76 L N -0.839 120.269 121.223 -0.192 0.000 2.056 76 L HA -0.190 4.193 4.340 0.073 0.000 0.207 76 L C 2.799 179.648 176.870 -0.035 0.000 1.078 76 L CA 1.515 56.301 54.840 -0.091 0.000 0.749 76 L CB -0.699 41.232 42.059 -0.214 0.000 0.901 76 L HN 0.338 nan 8.230 nan 0.000 0.433 77 R N 0.361 120.697 120.500 -0.273 0.000 2.103 77 R HA -0.208 4.176 4.340 0.073 0.000 0.242 77 R C 1.314 177.559 176.300 -0.092 0.000 1.142 77 R CA 2.142 58.097 56.100 -0.240 0.000 0.960 77 R CB -0.115 29.848 30.300 -0.561 0.000 0.858 77 R HN 0.360 nan 8.270 nan 0.000 0.439 78 D N -0.998 119.332 120.400 -0.118 0.000 2.367 78 D HA 0.040 4.723 4.640 0.073 0.000 0.207 78 D C 0.455 176.705 176.300 -0.083 0.000 1.034 78 D CA 0.514 54.458 54.000 -0.093 0.000 0.861 78 D CB 0.324 41.050 40.800 -0.125 0.000 0.943 78 D HN 0.321 nan 8.370 nan 0.000 0.515 79 N N -0.952 117.727 118.700 -0.036 0.000 2.036 79 N HA -0.036 4.748 4.740 0.073 0.000 0.228 79 N C -0.049 175.548 175.510 0.145 0.000 1.368 79 N CA -0.241 52.801 53.050 -0.013 0.000 0.846 79 N CB 1.363 39.789 38.487 -0.101 0.000 1.145 79 N HN 0.060 nan 8.380 nan 0.000 0.502 80 Y N 2.138 122.469 120.300 0.051 0.000 2.455 80 Y HA 0.254 4.848 4.550 0.072 0.000 0.398 80 Y C 0.889 176.860 175.900 0.118 0.000 1.386 80 Y CA -0.614 57.572 58.100 0.144 0.000 1.816 80 Y CB 0.196 38.817 38.460 0.268 0.000 1.740 80 Y HN -0.341 nan 8.280 nan 0.000 0.612 81 V N 2.973 122.652 119.914 -0.392 0.000 2.557 81 V HA -0.031 4.133 4.120 0.073 0.000 0.301 81 V C -0.245 175.648 176.094 -0.335 0.000 1.026 81 V CA 0.479 62.535 62.300 -0.406 0.000 1.137 81 V CB -0.456 31.063 31.823 -0.508 0.000 0.917 81 V HN 0.572 nan 8.190 nan 0.000 0.484 82 E N 2.889 122.954 120.200 -0.226 0.000 2.263 82 E HA 0.348 4.742 4.350 0.073 0.000 0.264 82 E C -0.663 175.843 176.600 -0.158 0.000 0.923 82 E CA -0.871 55.422 56.400 -0.177 0.000 0.802 82 E CB 1.517 31.156 29.700 -0.100 0.000 1.228 82 E HN 0.862 nan 8.360 nan 0.000 0.417 83 D N 0.800 121.135 120.400 -0.107 0.000 2.384 83 D HA -0.049 4.634 4.640 0.073 0.000 0.244 83 D C 0.077 176.335 176.300 -0.071 0.000 1.251 83 D CA -0.139 53.821 54.000 -0.066 0.000 0.961 83 D CB 0.745 41.543 40.800 -0.003 0.000 1.116 83 D HN 0.248 nan 8.370 nan 0.000 0.484 84 D N -0.924 119.445 120.400 -0.053 0.000 2.224 84 D HA -0.079 4.605 4.640 0.073 0.000 0.205 84 D C 0.533 176.796 176.300 -0.062 0.000 0.965 84 D CA 0.800 54.773 54.000 -0.046 0.000 0.852 84 D CB -0.024 40.759 40.800 -0.028 0.000 0.947 84 D HN 0.358 nan 8.370 nan 0.000 0.494 85 D N -0.176 120.171 120.400 -0.088 0.000 2.325 85 D HA 0.045 4.728 4.640 0.073 0.000 0.225 85 D C -0.113 176.101 176.300 -0.143 0.000 1.096 85 D CA 0.043 53.978 54.000 -0.108 0.000 0.844 85 D CB 0.178 40.907 40.800 -0.118 0.000 0.925 85 D HN -0.188 nan 8.370 nan 0.000 0.513 86 S N 0.230 115.848 115.700 -0.137 0.000 3.550 86 S HA -0.237 4.276 4.470 0.073 0.000 0.372 86 S C 1.241 175.708 174.600 -0.222 0.000 0.966 86 S CA 0.436 58.550 58.200 -0.143 0.000 1.229 86 S CB -1.233 61.911 63.200 -0.094 0.000 0.917 86 S HN 0.433 nan 8.310 nan 0.000 0.496 87 M N -1.147 118.221 119.600 -0.386 0.000 2.657 87 M HA 0.276 4.800 4.480 0.073 0.000 0.262 87 M C -0.182 175.649 176.300 -0.782 0.000 1.213 87 M CA 1.148 56.018 55.300 -0.718 0.000 1.182 87 M CB 0.376 32.244 32.600 -1.220 0.000 1.303 87 M HN 0.343 nan 8.290 nan 0.000 0.501 88 F N -0.128 119.794 119.950 -0.046 0.000 2.565 88 F HA 0.609 5.180 4.527 0.073 0.000 0.313 88 F C -0.305 175.429 175.800 -0.109 0.000 1.091 88 F CA -1.213 56.754 58.000 -0.055 0.000 0.915 88 F CB 1.392 40.365 39.000 -0.045 0.000 1.208 88 F HN -0.174 nan 8.300 nan 0.000 0.453 89 R N 1.792 122.359 120.500 0.111 0.000 2.574 89 R HA 0.579 4.962 4.340 0.073 0.000 0.288 89 R C -1.525 174.838 176.300 0.104 0.000 1.004 89 R CA -0.692 55.417 56.100 0.015 0.000 0.895 89 R CB 1.091 31.416 30.300 0.041 0.000 1.191 89 R HN 0.408 nan 8.270 nan 0.000 0.444 90 F N 2.227 122.263 119.950 0.144 0.000 2.602 90 F HA 0.042 4.614 4.527 0.075 0.000 0.367 90 F C 1.139 177.040 175.800 0.167 0.000 1.126 90 F CA 0.349 58.435 58.000 0.143 0.000 1.321 90 F CB 0.424 39.603 39.000 0.299 0.000 1.094 90 F HN 0.509 nan 8.300 nan 0.000 0.594 91 N N 3.070 121.950 118.700 0.301 0.000 2.723 91 N HA 0.099 4.883 4.740 0.073 0.000 0.290 91 N C -1.284 174.356 175.510 0.217 0.000 1.882 91 N CA -0.438 52.751 53.050 0.232 0.000 0.851 91 N CB -0.414 38.190 38.487 0.195 0.000 1.234 91 N HN 0.330 nan 8.380 nan 0.000 0.491 92 Y N 0.598 120.975 120.300 0.129 0.000 2.810 92 Y HA -0.079 4.513 4.550 0.071 0.000 0.332 92 Y C 1.686 177.709 175.900 0.205 0.000 1.243 92 Y CA 0.321 58.416 58.100 -0.009 0.000 1.537 92 Y CB 0.365 38.757 38.460 -0.115 0.000 1.265 92 Y HN 0.275 nan 8.280 nan 0.000 0.572 93 S N 1.470 117.376 115.700 0.343 0.000 2.614 93 S HA 0.116 4.629 4.470 0.073 0.000 0.265 93 S C 0.916 175.639 174.600 0.205 0.000 1.303 93 S CA -0.620 57.736 58.200 0.260 0.000 1.000 93 S CB 1.122 64.435 63.200 0.188 0.000 0.935 93 S HN 0.769 nan 8.310 nan 0.000 0.551 94 E N 0.903 121.064 120.200 -0.065 0.000 2.085 94 E HA -0.201 4.193 4.350 0.073 0.000 0.194 94 E C 1.830 178.462 176.600 0.053 0.000 0.994 94 E CA 1.835 58.212 56.400 -0.039 0.000 0.801 94 E CB -0.203 29.407 29.700 -0.150 0.000 0.743 94 E HN 0.777 nan 8.360 nan 0.000 0.453 95 E N 0.160 120.399 120.200 0.065 0.000 2.106 95 E HA -0.138 4.255 4.350 0.073 0.000 0.192 95 E C 1.608 178.305 176.600 0.163 0.000 0.984 95 E CA 0.679 57.119 56.400 0.066 0.000 0.806 95 E CB -0.219 29.488 29.700 0.013 0.000 0.750 95 E HN 0.237 nan 8.360 nan 0.000 0.458 96 F N 0.717 120.742 119.950 0.125 0.000 2.102 96 F HA -0.168 4.404 4.527 0.077 0.000 0.298 96 F C 1.729 177.682 175.800 0.256 0.000 1.105 96 F CA 1.178 59.345 58.000 0.279 0.000 1.239 96 F CB 0.044 39.257 39.000 0.355 0.000 0.991 96 F HN -0.044 nan 8.300 nan 0.000 0.474 97 L N -0.068 121.391 121.223 0.393 0.000 2.046 97 L HA -0.263 4.121 4.340 0.073 0.000 0.208 97 L C 2.541 179.411 176.870 0.000 0.000 1.077 97 L CA 1.772 56.652 54.840 0.068 0.000 0.747 97 L CB -0.919 41.047 42.059 -0.156 0.000 0.896 97 L HN 0.281 nan 8.230 nan 0.000 0.432 98 Q N -0.519 119.299 119.800 0.030 0.000 2.084 98 Q HA -0.266 4.118 4.340 0.073 0.000 0.202 98 Q C 2.168 178.189 176.000 0.034 0.000 0.978 98 Q CA 1.961 57.755 55.803 -0.015 0.000 0.844 98 Q CB -0.268 28.470 28.738 0.000 0.000 0.898 98 Q HN 0.524 nan 8.270 nan 0.000 0.426 99 W N 0.690 121.917 121.300 -0.121 0.000 2.354 99 W HA -0.155 4.547 4.660 0.070 0.000 0.315 99 W C 2.096 178.604 176.519 -0.018 0.000 1.206 99 W CA 2.326 59.576 57.345 -0.158 0.000 1.290 99 W CB -0.666 28.593 29.460 -0.335 0.000 1.152 99 W HN 0.213 nan 8.180 nan 0.000 0.489 100 A N 0.013 122.738 122.820 -0.157 0.000 1.933 100 A HA -0.108 4.256 4.320 0.073 0.000 0.218 100 A C 2.053 179.592 177.584 -0.075 0.000 1.175 100 A CA 1.779 53.682 52.037 -0.224 0.000 0.628 100 A CB -0.835 18.283 19.000 0.197 0.000 0.814 100 A HN 0.409 nan 8.150 nan 0.000 0.444 101 L N -1.597 119.570 121.223 -0.092 0.000 2.554 101 L HA 0.071 4.454 4.340 0.073 0.000 0.225 101 L C 0.182 176.919 176.870 -0.221 0.000 1.104 101 L CA -0.111 54.660 54.840 -0.114 0.000 0.866 101 L CB 0.404 42.264 42.059 -0.332 0.000 1.047 101 L HN 0.345 nan 8.230 nan 0.000 0.468 102 C N 0.967 120.016 119.300 -0.418 0.000 2.808 102 C HA 0.323 4.827 4.460 0.073 0.000 0.261 102 C C -1.752 172.847 174.990 -0.652 0.000 1.574 102 C CA -1.350 57.117 59.018 -0.919 0.000 1.611 102 C CB -0.721 26.481 27.740 -0.897 0.000 2.726 102 C HN 0.152 nan 8.230 nan 0.000 0.528 103 P HA 0.241 nan 4.420 nan 0.000 0.277 103 P C -2.797 174.215 177.300 -0.479 0.000 1.276 103 P CA -1.206 61.237 63.100 -1.095 0.000 0.788 103 P CB -0.364 30.912 31.700 -0.707 0.000 1.114 104 P HA -0.009 nan 4.420 nan 0.000 0.262 104 P C 0.019 177.281 177.300 -0.063 0.000 1.182 104 P CA 0.843 63.851 63.100 -0.153 0.000 0.761 104 P CB -0.408 31.226 31.700 -0.110 0.000 0.795 105 N N -0.166 118.501 118.700 -0.055 0.000 2.741 105 N HA -0.217 4.567 4.740 0.073 0.000 0.250 105 N C -0.071 175.332 175.510 -0.179 0.000 1.115 105 N CA 0.724 53.698 53.050 -0.126 0.000 0.724 105 N CB -2.186 36.236 38.487 -0.107 0.000 1.090 105 N HN 0.614 nan 8.380 nan 0.000 0.558 106 Y N -0.322 119.838 120.300 -0.232 0.000 2.426 106 Y HA 0.492 5.082 4.550 0.068 0.000 0.344 106 Y C 0.605 176.257 175.900 -0.414 0.000 1.256 106 Y CA -0.693 57.242 58.100 -0.276 0.000 1.451 106 Y CB 0.451 38.813 38.460 -0.163 0.000 1.342 106 Y HN 0.037 nan 8.280 nan 0.000 0.600 107 I N 4.696 124.827 120.570 -0.732 0.000 2.354 107 I HA 0.280 4.493 4.170 0.073 0.000 0.286 107 I C -1.868 173.781 176.117 -0.781 0.000 1.007 107 I CA -2.127 58.590 61.300 -0.972 0.000 1.167 107 I CB 1.635 38.695 38.000 -1.567 0.000 1.320 107 I HN 0.530 nan 8.210 nan 0.000 0.458 108 P HA -0.195 nan 4.420 nan 0.000 0.216 108 P C 1.105 178.196 177.300 -0.349 0.000 1.150 108 P CA 1.197 64.034 63.100 -0.439 0.000 0.843 108 P CB 0.267 31.792 31.700 -0.292 0.000 0.787 109 D N -2.334 117.895 120.400 -0.285 0.000 2.309 109 D HA -0.150 4.534 4.640 0.073 0.000 0.212 109 D C 0.833 177.176 176.300 0.072 0.000 0.968 109 D CA 0.668 54.605 54.000 -0.105 0.000 0.882 109 D CB -0.406 40.347 40.800 -0.077 0.000 0.918 109 D HN 0.100 nan 8.370 nan 0.000 0.503 110 W N 0.588 121.727 121.300 -0.268 0.000 3.180 110 W HA 0.145 4.846 4.660 0.069 0.000 0.254 110 W C 0.045 176.525 176.519 -0.064 0.000 1.318 110 W CA -0.081 57.152 57.345 -0.187 0.000 1.608 110 W CB -1.176 28.196 29.460 -0.147 0.000 1.124 110 W HN 0.191 nan 8.180 nan 0.000 0.694 111 H N -0.465 118.676 119.070 0.119 0.000 2.641 111 H HA 0.398 4.997 4.556 0.071 0.000 0.295 111 H C -0.554 174.773 175.328 -0.002 0.000 1.070 111 H CA -0.620 55.455 56.048 0.045 0.000 1.257 111 H CB 1.229 31.086 29.762 0.159 0.000 1.393 111 H HN -0.439 nan 8.280 nan 0.000 0.464 112 V N 2.940 122.839 119.914 -0.025 0.000 2.409 112 V HA 0.605 4.768 4.120 0.073 0.000 0.291 112 V C -0.001 176.210 176.094 0.195 0.000 1.020 112 V CA -0.654 61.670 62.300 0.039 0.000 0.848 112 V CB 1.230 33.012 31.823 -0.069 0.000 0.990 112 V HN 0.863 nan 8.190 nan 0.000 0.430 113 A N 4.472 127.513 122.820 0.367 0.000 2.386 113 A HA 0.964 5.327 4.320 0.073 0.000 0.308 113 A C -0.965 176.893 177.584 0.458 0.000 1.128 113 A CA -0.676 51.647 52.037 0.477 0.000 0.789 113 A CB 2.043 21.376 19.000 0.554 0.000 1.325 113 A HN 0.617 nan 8.150 nan 0.000 0.437 114 V N 1.328 121.398 119.914 0.261 0.000 2.555 114 V HA 0.647 4.810 4.120 0.073 0.000 0.302 114 V C -0.114 175.983 176.094 0.006 0.000 1.038 114 V CA -0.593 61.713 62.300 0.010 0.000 0.887 114 V CB 1.505 33.154 31.823 -0.290 0.000 0.991 114 V HN 1.061 nan 8.190 nan 0.000 0.434 115 R N 3.026 123.518 120.500 -0.013 0.000 2.807 115 R HA 0.690 5.073 4.340 0.073 0.000 0.276 115 R C -0.399 175.866 176.300 -0.059 0.000 0.979 115 R CA -0.991 55.077 56.100 -0.054 0.000 0.928 115 R CB 1.857 32.118 30.300 -0.064 0.000 1.191 115 R HN 0.558 nan 8.270 nan 0.000 0.471 116 R N 1.918 122.393 120.500 -0.042 0.000 2.401 116 R HA 0.044 4.428 4.340 0.073 0.000 0.299 116 R C 0.314 176.643 176.300 0.048 0.000 1.064 116 R CA 0.037 56.192 56.100 0.092 0.000 1.000 116 R CB 0.700 31.035 30.300 0.059 0.000 0.973 116 R HN 0.758 nan 8.270 nan 0.000 0.438 117 K N 2.954 123.400 120.400 0.077 0.000 2.063 117 K HA -0.199 4.165 4.320 0.073 0.000 0.208 117 K C 1.775 178.373 176.600 -0.003 0.000 1.048 117 K CA 1.811 58.112 56.287 0.024 0.000 0.928 117 K CB -0.012 32.501 32.500 0.022 0.000 0.713 117 K HN 0.727 nan 8.250 nan 0.000 0.442 118 A N 1.987 124.807 122.820 -0.000 0.000 1.858 118 A HA -0.179 4.184 4.320 0.073 0.000 0.216 118 A C 1.401 178.972 177.584 -0.022 0.000 1.190 118 A CA 2.223 54.253 52.037 -0.012 0.000 0.617 118 A CB -0.224 18.770 19.000 -0.010 0.000 0.827 118 A HN 0.542 nan 8.150 nan 0.000 0.443 119 D N -3.077 117.306 120.400 -0.027 0.000 2.527 119 D HA 0.125 4.808 4.640 0.073 0.000 0.224 119 D C 0.182 176.445 176.300 -0.061 0.000 1.217 119 D CA 0.048 54.026 54.000 -0.038 0.000 0.819 119 D CB -0.423 40.360 40.800 -0.029 0.000 1.061 119 D HN 0.385 nan 8.370 nan 0.000 0.515 120 K N -0.131 120.226 120.400 -0.073 0.000 3.088 120 K HA -0.263 4.100 4.320 0.073 0.000 0.273 120 K C -0.053 176.474 176.600 -0.122 0.000 1.111 120 K CA 0.725 56.937 56.287 -0.124 0.000 0.803 120 K CB -1.288 31.103 32.500 -0.182 0.000 1.226 120 K HN 0.160 nan 8.250 nan 0.000 0.485 121 K N 1.832 122.185 120.400 -0.079 0.000 2.447 121 K HA 0.096 4.460 4.320 0.073 0.000 0.281 121 K C -0.309 176.249 176.600 -0.071 0.000 1.031 121 K CA -0.179 56.066 56.287 -0.069 0.000 1.019 121 K CB 0.398 32.857 32.500 -0.070 0.000 0.918 121 K HN 0.216 nan 8.250 nan 0.000 0.476 122 L N 6.112 127.314 121.223 -0.036 0.000 2.360 122 L HA 0.209 4.593 4.340 0.073 0.000 0.276 122 L C -0.080 176.812 176.870 0.037 0.000 1.121 122 L CA 0.562 55.410 54.840 0.013 0.000 0.845 122 L CB 0.422 42.514 42.059 0.054 0.000 1.143 122 L HN 0.909 nan 8.230 nan 0.000 0.452 123 L N 4.771 125.993 121.223 -0.003 0.000 2.685 123 L HA 0.609 4.992 4.340 0.073 0.000 0.235 123 L C 0.410 177.297 176.870 0.029 0.000 1.070 123 L CA 0.325 55.138 54.840 -0.044 0.000 0.888 123 L CB 0.094 41.975 42.059 -0.297 0.000 1.203 123 L HN 0.752 nan 8.230 nan 0.000 0.499 124 A N -0.338 122.523 122.820 0.069 0.000 2.608 124 A HA 0.679 5.043 4.320 0.073 0.000 0.292 124 A C -2.160 175.591 177.584 0.278 0.000 1.066 124 A CA -0.293 51.822 52.037 0.130 0.000 0.676 124 A CB 1.956 20.982 19.000 0.042 0.000 1.277 124 A HN -0.066 nan 8.150 nan 0.000 0.413 125 F N 0.137 120.131 119.950 0.073 0.000 2.654 125 F HA 0.837 5.407 4.527 0.072 0.000 0.308 125 F C -1.391 174.456 175.800 0.078 0.000 1.108 125 F CA -0.872 57.172 58.000 0.074 0.000 0.957 125 F CB 1.597 40.611 39.000 0.024 0.000 1.309 125 F HN 0.770 nan 8.300 nan 0.000 0.446 126 I N 3.151 123.304 120.570 -0.695 0.000 2.841 126 I HA 0.795 5.008 4.170 0.073 0.000 0.298 126 I C -1.986 173.610 176.117 -0.867 0.000 1.304 126 I CA -0.570 60.380 61.300 -0.584 0.000 1.019 126 I CB 1.995 39.842 38.000 -0.255 0.000 1.282 126 I HN 0.888 nan 8.210 nan 0.000 0.432 127 A N 4.525 127.046 122.820 -0.499 0.000 2.422 127 A HA 0.856 5.220 4.320 0.073 0.000 0.302 127 A C -0.693 176.904 177.584 0.021 0.000 1.041 127 A CA -0.277 51.624 52.037 -0.227 0.000 0.708 127 A CB 1.592 20.512 19.000 -0.133 0.000 1.257 127 A HN 0.868 nan 8.150 nan 0.000 0.414 128 G N 0.154 109.052 108.800 0.163 0.000 2.400 128 G HA2 0.723 4.726 3.960 0.073 0.000 0.333 128 G HA3 0.723 4.726 3.960 0.073 0.000 0.333 128 G C -0.421 174.795 174.900 0.526 0.000 1.143 128 G CA -0.043 45.183 45.100 0.210 0.000 0.914 128 G HN 1.919 nan 8.290 nan 0.000 0.480 129 V N -1.077 119.116 119.914 0.466 0.000 3.007 129 V HA 0.837 5.000 4.120 0.073 0.000 0.311 129 V C -2.673 173.716 176.094 0.491 0.000 1.120 129 V CA -2.738 59.845 62.300 0.471 0.000 0.980 129 V CB 2.379 34.388 31.823 0.310 0.000 1.033 129 V HN 0.626 nan 8.190 nan 0.000 0.429 130 P HA 0.416 nan 4.420 nan 0.000 0.274 130 P C -0.837 176.616 177.300 0.254 0.000 1.231 130 P CA -0.004 63.296 63.100 0.334 0.000 0.790 130 P CB 1.824 33.615 31.700 0.151 0.000 0.951 131 V N 1.665 121.702 119.914 0.203 0.000 2.932 131 V HA 0.387 4.550 4.120 0.073 0.000 0.307 131 V C -0.999 175.108 176.094 0.021 0.000 1.147 131 V CA -0.407 61.968 62.300 0.125 0.000 0.951 131 V CB 2.548 34.430 31.823 0.099 0.000 1.031 131 V HN 0.515 nan 8.190 nan 0.000 0.426 132 T N 7.285 121.793 114.554 -0.076 0.000 2.753 132 T HA 0.622 5.015 4.350 0.073 0.000 0.297 132 T C -0.718 173.834 174.700 -0.246 0.000 0.981 132 T CA -0.015 61.917 62.100 -0.280 0.000 0.956 132 T CB 0.786 69.453 68.868 -0.336 0.000 0.936 132 T HN 0.534 nan 8.240 nan 0.000 0.463 133 L N 3.792 124.876 121.223 -0.231 0.000 2.362 133 L HA 0.514 4.897 4.340 0.073 0.000 0.275 133 L C -0.152 176.613 176.870 -0.175 0.000 0.998 133 L CA -0.635 54.094 54.840 -0.183 0.000 0.820 133 L CB 1.492 43.472 42.059 -0.132 0.000 1.270 133 L HN 0.485 nan 8.230 nan 0.000 0.415 134 R N 6.269 126.695 120.500 -0.124 0.000 2.316 134 R HA 0.394 4.777 4.340 0.073 0.000 0.314 134 R C 0.178 176.452 176.300 -0.044 0.000 1.069 134 R CA 0.158 56.222 56.100 -0.061 0.000 0.959 134 R CB 0.419 30.707 30.300 -0.020 0.000 0.987 134 R HN 0.777 nan 8.270 nan 0.000 0.446 135 M N -0.408 119.174 119.600 -0.030 0.000 3.340 135 M HA 0.290 4.813 4.480 0.073 0.000 0.471 135 M C 0.030 176.558 176.300 0.380 0.000 1.550 135 M CA -0.515 54.759 55.300 -0.044 0.000 0.754 135 M CB 1.066 33.331 32.600 -0.558 0.000 1.485 135 M HN 0.496 nan 8.290 nan 0.000 0.530 136 G N 1.322 110.331 108.800 0.349 0.000 2.634 136 G HA2 0.396 4.400 3.960 0.073 0.000 0.255 136 G HA3 0.396 4.400 3.960 0.073 0.000 0.255 136 G C -0.330 174.790 174.900 0.367 0.000 1.205 136 G CA -0.271 45.057 45.100 0.381 0.000 0.884 136 G HN 0.333 nan 8.290 nan 0.000 0.549 137 T N 3.120 117.787 114.554 0.188 0.000 2.849 137 T HA 0.159 4.552 4.350 0.073 0.000 0.289 137 T C -1.687 173.007 174.700 -0.011 0.000 1.010 137 T CA -0.118 61.975 62.100 -0.011 0.000 1.161 137 T CB 0.703 69.576 68.868 0.008 0.000 0.989 137 T HN 0.392 nan 8.240 nan 0.000 0.523 138 P HA 0.179 nan 4.420 nan 0.000 0.272 138 P C 0.718 177.996 177.300 -0.037 0.000 1.230 138 P CA -0.477 62.632 63.100 0.015 0.000 0.788 138 P CB 1.008 32.740 31.700 0.054 0.000 0.949 139 K N 0.787 121.225 120.400 0.064 0.000 2.020 139 K HA -0.217 4.147 4.320 0.073 0.000 0.212 139 K C 2.233 178.858 176.600 0.040 0.000 1.050 139 K CA 2.311 58.629 56.287 0.052 0.000 0.929 139 K CB -0.866 31.680 32.500 0.076 0.000 0.714 139 K HN 0.602 nan 8.250 nan 0.000 0.443 140 Y N -0.280 120.019 120.300 -0.002 0.000 2.256 140 Y HA -0.146 4.447 4.550 0.071 0.000 0.288 140 Y C 1.907 177.795 175.900 -0.020 0.000 1.155 140 Y CA 0.945 59.038 58.100 -0.011 0.000 1.203 140 Y CB -0.258 38.194 38.460 -0.013 0.000 0.980 140 Y HN -0.071 nan 8.280 nan 0.000 0.530 141 M N 0.866 120.036 119.600 -0.717 0.000 2.334 141 M HA -0.034 4.489 4.480 0.073 0.000 0.266 141 M C 1.884 178.053 176.300 -0.219 0.000 1.082 141 M CA 1.141 56.094 55.300 -0.579 0.000 1.141 141 M CB -0.663 31.495 32.600 -0.737 0.000 1.380 141 M HN 0.355 nan 8.290 nan 0.000 0.440 142 K N 0.024 120.343 120.400 -0.135 0.000 2.103 142 K HA -0.099 4.265 4.320 0.073 0.000 0.207 142 K C 2.001 178.588 176.600 -0.022 0.000 1.048 142 K CA 1.065 57.328 56.287 -0.040 0.000 0.930 142 K CB -0.154 32.333 32.500 -0.020 0.000 0.716 142 K HN 0.136 nan 8.250 nan 0.000 0.444 143 V N 1.741 121.642 119.914 -0.022 0.000 2.295 143 V HA -0.264 3.899 4.120 0.073 0.000 0.246 143 V C 2.033 178.126 176.094 -0.001 0.000 1.049 143 V CA 1.727 64.028 62.300 0.002 0.000 1.024 143 V CB -0.364 31.474 31.823 0.025 0.000 0.648 143 V HN 0.302 nan 8.190 nan 0.000 0.447 144 K N 0.328 120.716 120.400 -0.020 0.000 2.063 144 K HA -0.174 4.189 4.320 0.073 0.000 0.208 144 K C 2.310 178.911 176.600 0.001 0.000 1.048 144 K CA 1.561 57.836 56.287 -0.019 0.000 0.928 144 K CB -0.476 31.991 32.500 -0.055 0.000 0.713 144 K HN 0.481 nan 8.250 nan 0.000 0.442 145 A N 1.395 124.229 122.820 0.024 0.000 1.902 145 A HA -0.216 4.147 4.320 0.073 0.000 0.217 145 A C 2.132 179.742 177.584 0.044 0.000 1.181 145 A CA 1.342 53.433 52.037 0.092 0.000 0.623 145 A CB -0.382 18.710 19.000 0.153 0.000 0.818 145 A HN 0.206 nan 8.150 nan 0.000 0.443 146 Q N -0.226 119.585 119.800 0.018 0.000 2.096 146 Q HA -0.201 4.182 4.340 0.073 0.000 0.204 146 Q C 1.823 177.827 176.000 0.008 0.000 0.982 146 Q CA 1.835 57.642 55.803 0.007 0.000 0.850 146 Q CB -0.423 28.316 28.738 0.002 0.000 0.901 146 Q HN 0.825 nan 8.270 nan 0.000 0.422 147 E N 0.274 120.480 120.200 0.009 0.000 2.265 147 E HA -0.139 4.254 4.350 0.073 0.000 0.196 147 E C 1.157 177.763 176.600 0.009 0.000 0.996 147 E CA 0.817 57.222 56.400 0.007 0.000 0.832 147 E CB 0.128 29.832 29.700 0.007 0.000 0.756 147 E HN 0.219 nan 8.360 nan 0.000 0.491 148 K N -1.074 119.336 120.400 0.016 0.000 2.358 148 K HA 0.167 4.530 4.320 0.073 0.000 0.200 148 K C 0.591 177.203 176.600 0.020 0.000 1.030 148 K CA 0.389 56.688 56.287 0.019 0.000 1.097 148 K CB 1.409 33.925 32.500 0.027 0.000 0.862 148 K HN 0.143 nan 8.250 nan 0.000 0.534 149 G N 2.281 111.088 108.800 0.012 0.000 2.176 149 G HA2 -0.279 3.724 3.960 0.073 0.000 0.252 149 G HA3 -0.279 3.724 3.960 0.073 0.000 0.252 149 G C 0.022 174.919 174.900 -0.004 0.000 1.024 149 G CA 0.198 45.298 45.100 0.001 0.000 0.755 149 G HN 0.457 nan 8.290 nan 0.000 0.507 150 E N -0.544 119.663 120.200 0.013 0.000 2.651 150 E HA 0.348 4.742 4.350 0.073 0.000 0.208 150 E C 2.188 178.746 176.600 -0.070 0.000 0.997 150 E CA 0.149 56.549 56.400 -0.001 0.000 1.020 150 E CB 0.139 29.938 29.700 0.164 0.000 1.052 150 E HN 0.397 nan 8.360 nan 0.000 0.465 151 G N 1.508 110.273 108.800 -0.058 0.000 2.469 151 G HA2 -0.348 3.655 3.960 0.073 0.000 0.219 151 G HA3 -0.348 3.655 3.960 0.073 0.000 0.219 151 G C 1.390 176.208 174.900 -0.137 0.000 1.150 151 G CA 0.859 45.915 45.100 -0.074 0.000 0.763 151 G HN 0.296 nan 8.290 nan 0.000 0.561 152 E N 0.065 120.171 120.200 -0.158 0.000 2.051 152 E HA -0.120 4.273 4.350 0.073 0.000 0.192 152 E C 2.389 178.810 176.600 -0.298 0.000 0.991 152 E CA 1.002 57.288 56.400 -0.189 0.000 0.799 152 E CB -0.110 29.495 29.700 -0.158 0.000 0.748 152 E HN 0.510 nan 8.360 nan 0.000 0.449 153 E N -0.315 119.622 120.200 -0.440 0.000 2.110 153 E HA -0.177 4.216 4.350 0.073 0.000 0.193 153 E C 1.923 178.045 176.600 -0.796 0.000 0.988 153 E CA 0.811 56.785 56.400 -0.711 0.000 0.804 153 E CB -0.048 29.001 29.700 -1.086 0.000 0.745 153 E HN 0.314 nan 8.360 nan 0.000 0.458 154 A N 0.889 123.322 122.820 -0.645 0.000 2.067 154 A HA 0.025 4.388 4.320 0.073 0.000 0.219 154 A C 2.143 179.654 177.584 -0.121 0.000 1.158 154 A CA 1.362 53.255 52.037 -0.239 0.000 0.661 154 A CB -0.086 18.920 19.000 0.011 0.000 0.801 154 A HN 0.235 nan 8.150 nan 0.000 0.452 155 A N -0.845 121.879 122.820 -0.160 0.000 2.308 155 A HA 0.207 4.570 4.320 0.073 0.000 0.217 155 A C 1.782 179.282 177.584 -0.140 0.000 1.216 155 A CA 0.929 52.905 52.037 -0.101 0.000 0.864 155 A CB -0.268 18.679 19.000 -0.088 0.000 0.902 155 A HN 0.477 nan 8.150 nan 0.000 0.499 156 K N -0.882 119.362 120.400 -0.260 0.000 2.074 156 K HA -0.174 4.189 4.320 0.073 0.000 0.209 156 K C 0.028 176.286 176.600 -0.569 0.000 1.048 156 K CA 1.754 57.749 56.287 -0.486 0.000 0.926 156 K CB -0.232 31.840 32.500 -0.713 0.000 0.713 156 K HN 0.555 nan 8.250 nan 0.000 0.444 157 Y N 0.355 120.688 120.300 0.055 0.000 2.734 157 Y HA 0.153 4.745 4.550 0.069 0.000 0.278 157 Y C 0.377 176.369 175.900 0.152 0.000 1.108 157 Y CA -0.677 57.522 58.100 0.165 0.000 1.211 157 Y CB 0.535 39.219 38.460 0.373 0.000 1.182 157 Y HN 0.053 nan 8.280 nan 0.000 0.547 158 D N 0.172 120.661 120.400 0.149 0.000 2.178 158 D HA -0.103 4.581 4.640 0.073 0.000 0.201 158 D C 0.617 176.971 176.300 0.090 0.000 0.980 158 D CA 1.133 55.200 54.000 0.112 0.000 0.842 158 D CB 0.228 41.058 40.800 0.050 0.000 0.948 158 D HN 0.286 nan 8.370 nan 0.000 0.472 159 E N 1.299 121.547 120.200 0.081 0.000 2.373 159 E HA 0.151 4.545 4.350 0.073 0.000 0.267 159 E C -2.164 174.455 176.600 0.032 0.000 1.032 159 E CA -1.811 54.619 56.400 0.051 0.000 0.889 159 E CB 0.133 29.864 29.700 0.052 0.000 0.984 159 E HN 0.083 nan 8.360 nan 0.000 0.425 160 P HA 0.067 nan 4.420 nan 0.000 0.266 160 P C -0.452 176.771 177.300 -0.128 0.000 1.195 160 P CA 0.351 63.395 63.100 -0.092 0.000 0.768 160 P CB 0.542 32.166 31.700 -0.126 0.000 0.838 161 R N 1.650 122.034 120.500 -0.194 0.000 2.589 161 R HA 0.377 4.761 4.340 0.073 0.000 0.293 161 R C -0.401 175.751 176.300 -0.248 0.000 0.963 161 R CA -0.776 55.221 56.100 -0.171 0.000 0.905 161 R CB 0.876 31.036 30.300 -0.234 0.000 1.144 161 R HN 0.573 nan 8.270 nan 0.000 0.459 162 H N 3.005 122.061 119.070 -0.022 0.000 3.004 162 H HA 0.179 4.774 4.556 0.066 0.000 0.267 162 H C 0.371 175.711 175.328 0.020 0.000 1.165 162 H CA -0.047 56.008 56.048 0.011 0.000 1.450 162 H CB 0.049 29.830 29.762 0.032 0.000 1.488 162 H HN 0.459 nan 8.280 nan 0.000 0.478 163 I N -1.074 119.542 120.570 0.078 0.000 3.595 163 I HA 0.583 4.796 4.170 0.073 0.000 0.289 163 I C -0.738 175.456 176.117 0.128 0.000 1.145 163 I CA -1.276 60.055 61.300 0.051 0.000 1.071 163 I CB 1.755 39.714 38.000 -0.069 0.000 1.364 163 I HN 0.457 nan 8.210 nan 0.000 0.486 164 C N 0.880 120.201 119.300 0.035 0.000 2.382 164 C HA 0.549 5.053 4.460 0.073 0.000 0.327 164 C C -0.317 174.710 174.990 0.063 0.000 1.250 164 C CA -0.063 58.949 59.018 -0.010 0.000 1.707 164 C CB 0.757 28.256 27.740 -0.402 0.000 2.272 164 C HN 0.846 nan 8.230 nan 0.000 0.506 165 E N 4.173 124.446 120.200 0.120 0.000 2.151 165 E HA 0.538 4.932 4.350 0.073 0.000 0.275 165 E C -0.820 175.832 176.600 0.086 0.000 0.936 165 E CA -0.462 56.013 56.400 0.124 0.000 0.777 165 E CB 1.023 30.806 29.700 0.138 0.000 1.108 165 E HN 0.584 nan 8.360 nan 0.000 0.401 166 I N 3.351 123.966 120.570 0.075 0.000 2.412 166 I HA 0.434 4.647 4.170 0.073 0.000 0.296 166 I C -0.023 176.096 176.117 0.003 0.000 0.987 166 I CA -0.561 60.742 61.300 0.005 0.000 1.180 166 I CB 1.402 39.358 38.000 -0.073 0.000 1.340 166 I HN 0.540 nan 8.210 nan 0.000 0.455 167 N N 3.589 122.262 118.700 -0.044 0.000 2.927 167 N HA 0.399 5.182 4.740 0.073 0.000 0.248 167 N C -0.543 174.919 175.510 -0.080 0.000 1.443 167 N CA -0.390 52.551 53.050 -0.182 0.000 0.870 167 N CB 1.283 39.512 38.487 -0.430 0.000 1.444 167 N HN 0.398 nan 8.380 nan 0.000 0.519 168 F N -1.522 118.455 119.950 0.044 0.000 3.057 168 F HA -0.224 4.345 4.527 0.070 0.000 0.287 168 F C 0.305 176.122 175.800 0.029 0.000 0.834 168 F CA -0.116 57.810 58.000 -0.123 0.000 1.147 168 F CB -1.702 37.210 39.000 -0.148 0.000 1.245 168 F HN 0.375 nan 8.300 nan 0.000 0.509 169 L N 1.295 122.657 121.223 0.233 0.000 2.513 169 L HA 0.384 4.767 4.340 0.073 0.000 0.272 169 L C 0.119 177.193 176.870 0.341 0.000 1.187 169 L CA -0.090 54.863 54.840 0.189 0.000 0.895 169 L CB 0.757 42.883 42.059 0.111 0.000 1.147 169 L HN 0.411 nan 8.230 nan 0.000 0.483 170 C N 5.483 124.945 119.300 0.270 0.000 2.752 170 C HA 0.687 5.191 4.460 0.073 0.000 0.360 170 C C -0.938 174.168 174.990 0.193 0.000 1.081 170 C CA -0.621 58.578 59.018 0.300 0.000 1.272 170 C CB 0.892 28.838 27.740 0.342 0.000 1.754 170 C HN 0.701 nan 8.230 nan 0.000 0.483 171 V N 6.179 126.183 119.914 0.150 0.000 2.555 171 V HA 0.436 4.599 4.120 0.073 0.000 0.302 171 V C 0.273 176.439 176.094 0.119 0.000 1.038 171 V CA -0.437 61.929 62.300 0.110 0.000 0.887 171 V CB 1.470 33.336 31.823 0.073 0.000 0.991 171 V HN 0.931 nan 8.190 nan 0.000 0.434 172 H N 3.683 122.767 119.070 0.023 0.000 3.064 172 H HA 0.029 4.628 4.556 0.072 0.000 0.329 172 H C 1.185 176.525 175.328 0.020 0.000 1.020 172 H CA 0.951 57.009 56.048 0.016 0.000 1.402 172 H CB 0.791 30.544 29.762 -0.015 0.000 1.379 172 H HN 0.657 nan 8.280 nan 0.000 0.594 173 K N 3.034 123.416 120.400 -0.029 0.000 2.127 173 K HA -0.232 4.132 4.320 0.073 0.000 0.208 173 K C 2.029 178.746 176.600 0.195 0.000 1.047 173 K CA 1.908 58.236 56.287 0.069 0.000 0.927 173 K CB 0.063 32.550 32.500 -0.020 0.000 0.716 173 K HN 0.690 nan 8.250 nan 0.000 0.450 174 Q N -0.033 120.020 119.800 0.422 0.000 2.437 174 Q HA -0.043 4.341 4.340 0.073 0.000 0.210 174 Q C 1.296 177.359 176.000 0.105 0.000 0.972 174 Q CA 0.654 56.574 55.803 0.195 0.000 0.903 174 Q CB 0.188 28.974 28.738 0.081 0.000 0.967 174 Q HN 0.316 nan 8.270 nan 0.000 0.486 175 L N 0.263 121.560 121.223 0.124 0.000 2.857 175 L HA 0.174 4.557 4.340 0.073 0.000 0.249 175 L C 0.059 176.970 176.870 0.068 0.000 1.172 175 L CA -0.362 54.520 54.840 0.070 0.000 0.980 175 L CB 0.432 42.505 42.059 0.023 0.000 1.299 175 L HN -0.001 nan 8.230 nan 0.000 0.535 176 R N 1.345 121.891 120.500 0.076 0.000 2.679 176 R HA 0.020 4.404 4.340 0.073 0.000 0.268 176 R C 0.318 176.648 176.300 0.051 0.000 1.044 176 R CA 0.128 56.264 56.100 0.060 0.000 1.105 176 R CB 0.103 30.438 30.300 0.058 0.000 0.989 176 R HN 0.234 nan 8.270 nan 0.000 0.447 177 E N 0.585 120.813 120.200 0.046 0.000 2.637 177 E HA -0.244 4.150 4.350 0.073 0.000 0.265 177 E C -0.296 176.329 176.600 0.042 0.000 1.073 177 E CA 0.903 57.329 56.400 0.044 0.000 0.778 177 E CB -0.729 28.996 29.700 0.043 0.000 1.362 177 E HN 0.531 nan 8.360 nan 0.000 0.413 178 K N 0.172 120.597 120.400 0.042 0.000 2.438 178 K HA 0.166 4.530 4.320 0.073 0.000 0.205 178 K C 0.125 176.749 176.600 0.040 0.000 1.033 178 K CA -0.544 55.772 56.287 0.048 0.000 1.089 178 K CB 0.679 33.219 32.500 0.066 0.000 0.857 178 K HN 0.034 nan 8.250 nan 0.000 0.522 179 R N -0.049 120.462 120.500 0.018 0.000 3.656 179 R HA -0.179 4.205 4.340 0.073 0.000 0.297 179 R C 0.772 177.052 176.300 -0.033 0.000 1.166 179 R CA 0.337 56.428 56.100 -0.015 0.000 0.799 179 R CB -2.596 27.706 30.300 0.005 0.000 1.285 179 R HN 0.264 nan 8.270 nan 0.000 0.477 180 L N -0.009 121.203 121.223 -0.017 0.000 2.131 180 L HA 0.156 4.540 4.340 0.073 0.000 0.206 180 L C 2.322 179.145 176.870 -0.080 0.000 1.087 180 L CA 2.248 57.073 54.840 -0.024 0.000 0.767 180 L CB -0.403 41.645 42.059 -0.018 0.000 0.917 180 L HN 0.320 nan 8.230 nan 0.000 0.441 181 A N 0.412 123.169 122.820 -0.104 0.000 1.883 181 A HA -0.120 4.244 4.320 0.073 0.000 0.217 181 A C 0.049 177.419 177.584 -0.358 0.000 1.186 181 A CA 1.951 53.895 52.037 -0.155 0.000 0.624 181 A CB -2.047 16.893 19.000 -0.100 0.000 0.822 181 A HN 0.420 nan 8.150 nan 0.000 0.444 182 P HA -0.150 nan 4.420 nan 0.000 0.216 182 P C 1.306 178.221 177.300 -0.641 0.000 1.150 182 P CA 1.035 63.478 63.100 -1.095 0.000 0.843 182 P CB -0.126 30.919 31.700 -1.091 0.000 0.787 183 I N -1.708 118.679 120.570 -0.304 0.000 2.252 183 I HA -0.206 4.008 4.170 0.073 0.000 0.245 183 I C 2.279 178.396 176.117 -0.001 0.000 1.102 183 I CA 1.157 62.385 61.300 -0.121 0.000 1.385 183 I CB -0.555 37.512 38.000 0.112 0.000 1.064 183 I HN -0.096 nan 8.210 nan 0.000 0.414 184 L N 0.367 121.602 121.223 0.019 0.000 2.046 184 L HA -0.231 4.152 4.340 0.073 0.000 0.208 184 L C 2.478 179.265 176.870 -0.138 0.000 1.077 184 L CA 1.575 56.457 54.840 0.069 0.000 0.747 184 L CB -0.320 41.756 42.059 0.028 0.000 0.896 184 L HN 0.201 nan 8.230 nan 0.000 0.432 185 I N -0.635 119.783 120.570 -0.253 0.000 2.252 185 I HA -0.293 3.921 4.170 0.073 0.000 0.245 185 I C 2.462 178.401 176.117 -0.296 0.000 1.102 185 I CA 1.279 62.405 61.300 -0.291 0.000 1.385 185 I CB -0.258 37.548 38.000 -0.323 0.000 1.064 185 I HN 0.177 nan 8.210 nan 0.000 0.414 186 K N 0.271 120.472 120.400 -0.332 0.000 2.097 186 K HA -0.235 4.129 4.320 0.073 0.000 0.206 186 K C 2.080 178.467 176.600 -0.355 0.000 1.049 186 K CA 1.473 57.537 56.287 -0.373 0.000 0.933 186 K CB -0.110 31.958 32.500 -0.719 0.000 0.717 186 K HN 0.132 nan 8.250 nan 0.000 0.442 187 E N 1.153 121.137 120.200 -0.360 0.000 2.072 187 E HA -0.091 4.303 4.350 0.073 0.000 0.190 187 E C 1.759 178.111 176.600 -0.414 0.000 0.982 187 E CA 1.384 57.520 56.400 -0.440 0.000 0.803 187 E CB -0.156 29.012 29.700 -0.886 0.000 0.755 187 E HN 0.239 nan 8.360 nan 0.000 0.453 188 A N -0.166 122.429 122.820 -0.375 0.000 1.883 188 A HA -0.201 4.162 4.320 0.073 0.000 0.217 188 A C 2.460 179.776 177.584 -0.446 0.000 1.186 188 A CA 2.314 54.117 52.037 -0.390 0.000 0.624 188 A CB -1.262 17.523 19.000 -0.359 0.000 0.822 188 A HN 0.389 nan 8.150 nan 0.000 0.444 189 T N -0.675 113.629 114.554 -0.418 0.000 2.720 189 T HA -0.202 4.192 4.350 0.073 0.000 0.268 189 T C 2.058 176.562 174.700 -0.328 0.000 1.037 189 T CA 1.610 63.462 62.100 -0.414 0.000 1.144 189 T CB -0.275 68.380 68.868 -0.356 0.000 0.864 189 T HN 0.563 nan 8.240 nan 0.000 0.444 190 R N 0.903 121.249 120.500 -0.256 0.000 2.073 190 R HA -0.048 4.335 4.340 0.073 0.000 0.234 190 R C 2.585 178.755 176.300 -0.217 0.000 1.134 190 R CA 1.323 57.312 56.100 -0.185 0.000 0.952 190 R CB -0.087 30.141 30.300 -0.120 0.000 0.850 190 R HN 0.344 nan 8.270 nan 0.000 0.433 191 R N -0.223 120.125 120.500 -0.253 0.000 2.120 191 R HA -0.067 4.316 4.340 0.073 0.000 0.234 191 R C 2.272 178.477 176.300 -0.157 0.000 1.123 191 R CA 1.348 57.347 56.100 -0.167 0.000 0.975 191 R CB -0.171 30.054 30.300 -0.126 0.000 0.866 191 R HN 0.126 nan 8.270 nan 0.000 0.446 192 V N 1.712 121.349 119.914 -0.463 0.000 2.323 192 V HA -0.210 3.953 4.120 0.073 0.000 0.244 192 V C 1.663 177.502 176.094 -0.425 0.000 1.041 192 V CA 1.679 63.618 62.300 -0.601 0.000 1.025 192 V CB -0.510 30.722 31.823 -0.984 0.000 0.656 192 V HN 0.302 nan 8.190 nan 0.000 0.451 193 N N 0.404 118.783 118.700 -0.534 0.000 2.205 193 N HA -0.146 4.638 4.740 0.073 0.000 0.186 193 N C 1.839 177.022 175.510 -0.545 0.000 1.015 193 N CA 0.969 53.512 53.050 -0.845 0.000 0.862 193 N CB -0.416 37.650 38.487 -0.702 0.000 0.986 193 N HN 0.314 nan 8.380 nan 0.000 0.429 194 R N -0.028 120.324 120.500 -0.246 0.000 2.241 194 R HA 0.024 4.408 4.340 0.073 0.000 0.224 194 R C 1.093 177.356 176.300 -0.061 0.000 1.101 194 R CA 0.625 56.665 56.100 -0.100 0.000 0.995 194 R CB -0.687 29.582 30.300 -0.053 0.000 0.870 194 R HN 0.168 nan 8.270 nan 0.000 0.463 195 T N 0.150 114.665 114.554 -0.066 0.000 3.069 195 T HA 0.035 4.428 4.350 0.073 0.000 0.252 195 T C 0.159 174.838 174.700 -0.036 0.000 1.053 195 T CA -0.068 62.036 62.100 0.006 0.000 0.964 195 T CB -0.149 68.843 68.868 0.206 0.000 1.005 195 T HN 0.269 nan 8.240 nan 0.000 0.532 196 N N 0.475 119.080 118.700 -0.157 0.000 2.818 196 N HA -0.146 4.638 4.740 0.073 0.000 0.250 196 N C -0.918 174.466 175.510 -0.210 0.000 1.108 196 N CA 0.371 53.382 53.050 -0.065 0.000 0.745 196 N CB -1.662 36.929 38.487 0.173 0.000 1.104 196 N HN 0.218 nan 8.380 nan 0.000 0.557 197 V N 0.262 119.854 119.914 -0.535 0.000 2.459 197 V HA 0.497 4.660 4.120 0.073 0.000 0.295 197 V C 0.430 176.094 176.094 -0.717 0.000 1.029 197 V CA -0.288 61.795 62.300 -0.363 0.000 0.874 197 V CB 1.453 33.219 31.823 -0.094 0.000 0.985 197 V HN 0.369 nan 8.190 nan 0.000 0.438 198 W N 1.903 123.226 121.300 0.039 0.000 2.534 198 W HA 0.440 5.142 4.660 0.070 0.000 0.339 198 W C 0.429 177.023 176.519 0.125 0.000 0.961 198 W CA -0.268 57.124 57.345 0.079 0.000 1.545 198 W CB 0.732 30.245 29.460 0.089 0.000 1.104 198 W HN 0.407 nan 8.180 nan 0.000 0.538 199 Q N 0.693 120.605 119.800 0.187 0.000 2.399 199 Q HA 0.817 5.201 4.340 0.073 0.000 0.276 199 Q C -0.500 175.565 176.000 0.108 0.000 1.098 199 Q CA -0.546 55.354 55.803 0.161 0.000 0.827 199 Q CB 2.433 31.105 28.738 -0.111 0.000 1.386 199 Q HN -0.016 nan 8.270 nan 0.000 0.443 200 A N 0.427 123.400 122.820 0.255 0.000 2.527 200 A HA 0.861 5.225 4.320 0.073 0.000 0.293 200 A C -1.575 176.283 177.584 0.456 0.000 1.117 200 A CA -0.697 51.484 52.037 0.240 0.000 0.723 200 A CB 1.783 20.870 19.000 0.145 0.000 1.313 200 A HN 0.493 nan 8.150 nan 0.000 0.411 201 V N 1.514 121.660 119.914 0.386 0.000 2.680 201 V HA 0.888 5.052 4.120 0.073 0.000 0.309 201 V C -1.554 174.744 176.094 0.341 0.000 1.052 201 V CA -0.532 61.990 62.300 0.370 0.000 0.908 201 V CB 1.508 33.514 31.823 0.305 0.000 1.001 201 V HN 1.263 nan 8.190 nan 0.000 0.431 202 Y N 2.116 122.485 120.300 0.115 0.000 2.581 202 Y HA 0.855 5.448 4.550 0.071 0.000 0.337 202 Y C -0.430 175.472 175.900 0.003 0.000 1.108 202 Y CA -0.596 57.532 58.100 0.046 0.000 1.033 202 Y CB 1.633 40.128 38.460 0.059 0.000 1.318 202 Y HN 0.694 nan 8.280 nan 0.000 0.459 203 T N -0.263 114.304 114.554 0.020 0.000 2.924 203 T HA 0.972 5.366 4.350 0.073 0.000 0.291 203 T C -0.653 174.121 174.700 0.124 0.000 1.045 203 T CA -0.409 61.624 62.100 -0.112 0.000 1.015 203 T CB 1.817 70.411 68.868 -0.456 0.000 1.103 203 T HN 1.518 nan 8.240 nan 0.000 0.496 204 A N 0.280 123.216 122.820 0.193 0.000 2.587 204 A HA 0.838 5.201 4.320 0.073 0.000 0.293 204 A C 0.972 178.671 177.584 0.192 0.000 1.087 204 A CA -0.463 51.693 52.037 0.198 0.000 0.692 204 A CB 1.031 20.147 19.000 0.193 0.000 1.291 204 A HN 1.207 nan 8.150 nan 0.000 0.407 205 G N -0.381 108.528 108.800 0.182 0.000 2.511 205 G HA2 0.332 4.336 3.960 0.073 0.000 0.217 205 G HA3 0.332 4.336 3.960 0.073 0.000 0.217 205 G C 0.701 175.701 174.900 0.166 0.000 1.133 205 G CA 1.271 46.490 45.100 0.199 0.000 0.792 205 G HN 1.664 nan 8.290 nan 0.000 0.539 206 V N -1.537 118.463 119.914 0.144 0.000 2.863 206 V HA 0.684 4.847 4.120 0.073 0.000 0.307 206 V C -0.088 176.093 176.094 0.145 0.000 1.061 206 V CA -1.595 60.777 62.300 0.120 0.000 1.024 206 V CB 1.873 33.754 31.823 0.096 0.000 1.049 206 V HN -0.006 nan 8.190 nan 0.000 0.471 207 L N 3.762 125.053 121.223 0.114 0.000 2.260 207 L HA 0.626 5.009 4.340 0.073 0.000 0.289 207 L C -0.448 176.468 176.870 0.077 0.000 1.057 207 L CA 0.335 55.248 54.840 0.120 0.000 0.811 207 L CB -0.037 42.062 42.059 0.066 0.000 1.184 207 L HN 0.734 nan 8.230 nan 0.000 0.429 208 L N 5.670 126.916 121.223 0.038 0.000 2.279 208 L HA 0.679 5.063 4.340 0.073 0.000 0.262 208 L C -2.232 174.514 176.870 -0.206 0.000 1.019 208 L CA -2.100 52.583 54.840 -0.262 0.000 0.823 208 L CB 1.829 43.470 42.059 -0.696 0.000 1.358 208 L HN 0.434 nan 8.230 nan 0.000 0.432 209 P HA 0.256 nan 4.420 nan 0.000 0.282 209 P C -1.206 175.996 177.300 -0.163 0.000 1.274 209 P CA -0.141 62.835 63.100 -0.207 0.000 0.770 209 P CB 0.911 32.487 31.700 -0.207 0.000 0.867 210 T N 4.968 119.573 114.554 0.085 0.000 3.071 210 T HA 0.420 4.814 4.350 0.073 0.000 0.311 210 T C -2.848 171.921 174.700 0.115 0.000 1.042 210 T CA -1.455 60.711 62.100 0.110 0.000 1.028 210 T CB 1.561 70.466 68.868 0.061 0.000 1.068 210 T HN 0.111 nan 8.240 nan 0.000 0.451 211 P HA 0.189 nan 4.420 nan 0.000 0.272 211 P C 0.029 177.216 177.300 -0.188 0.000 1.223 211 P CA -0.428 62.352 63.100 -0.533 0.000 0.784 211 P CB 0.347 31.616 31.700 -0.718 0.000 0.923 212 Y N 0.627 120.800 120.300 -0.211 0.000 2.500 212 Y HA 0.654 5.247 4.550 0.071 0.000 0.270 212 Y C 0.292 176.164 175.900 -0.046 0.000 1.134 212 Y CA -0.384 57.701 58.100 -0.025 0.000 1.293 212 Y CB -0.034 38.496 38.460 0.116 0.000 1.063 212 Y HN 0.407 nan 8.280 nan 0.000 0.534 213 A N -0.186 122.328 122.820 -0.510 0.000 2.612 213 A HA 0.695 5.059 4.320 0.073 0.000 0.293 213 A C -1.249 176.140 177.584 -0.325 0.000 1.075 213 A CA -0.298 51.538 52.037 -0.335 0.000 0.680 213 A CB 1.261 20.032 19.000 -0.382 0.000 1.279 213 A HN 0.127 nan 8.150 nan 0.000 0.411 214 S N -0.780 114.816 115.700 -0.172 0.000 2.536 214 S HA 0.791 5.304 4.470 0.073 0.000 0.271 214 S C -0.420 174.172 174.600 -0.013 0.000 1.134 214 S CA 0.216 58.365 58.200 -0.084 0.000 0.897 214 S CB 1.629 64.782 63.200 -0.079 0.000 1.094 214 S HN 2.142 nan 8.310 nan 0.000 0.473 215 G N 1.953 110.776 108.800 0.038 0.000 2.620 215 G HA2 0.536 4.540 3.960 0.073 0.000 0.301 215 G HA3 0.536 4.540 3.960 0.073 0.000 0.301 215 G C -1.366 173.554 174.900 0.033 0.000 1.347 215 G CA -0.562 44.561 45.100 0.039 0.000 0.971 215 G HN 0.720 nan 8.290 nan 0.000 0.488 216 Q N -0.065 119.749 119.800 0.022 0.000 2.373 216 Q HA 0.303 4.687 4.340 0.073 0.000 0.255 216 Q C -0.855 175.046 176.000 -0.165 0.000 0.980 216 Q CA -0.262 55.414 55.803 -0.211 0.000 0.882 216 Q CB 0.597 29.189 28.738 -0.243 0.000 1.249 216 Q HN 0.552 nan 8.270 nan 0.000 0.438 217 Y N 1.878 122.047 120.300 -0.219 0.000 2.336 217 Y HA 0.229 4.823 4.550 0.073 0.000 0.331 217 Y C -0.530 175.066 175.900 -0.507 0.000 1.211 217 Y CA 0.492 58.489 58.100 -0.171 0.000 1.346 217 Y CB 0.633 39.036 38.460 -0.095 0.000 1.271 217 Y HN 0.477 nan 8.280 nan 0.000 0.538 218 F N 1.656 121.481 119.950 -0.208 0.000 2.563 218 F HA 0.466 5.036 4.527 0.073 0.000 0.316 218 F C -0.374 175.252 175.800 -0.290 0.000 1.076 218 F CA -0.894 56.996 58.000 -0.184 0.000 0.921 218 F CB 1.586 40.571 39.000 -0.025 0.000 1.209 218 F HN 0.391 nan 8.300 nan 0.000 0.462 219 H N 1.816 121.180 119.070 0.491 0.000 2.679 219 H HA 0.414 5.014 4.556 0.073 0.000 0.360 219 H C -1.010 174.331 175.328 0.021 0.000 1.105 219 H CA -0.923 55.284 56.048 0.265 0.000 1.196 219 H CB 2.506 32.410 29.762 0.238 0.000 1.636 219 H HN 0.303 nan 8.280 nan 0.000 0.531 220 R N 2.041 122.364 120.500 -0.296 0.000 2.337 220 R HA 0.244 4.628 4.340 0.073 0.000 0.319 220 R C -0.778 175.220 176.300 -0.503 0.000 0.954 220 R CA -0.499 55.195 56.100 -0.677 0.000 0.840 220 R CB 0.952 30.331 30.300 -1.534 0.000 1.164 220 R HN 0.599 nan 8.270 nan 0.000 0.472 221 S N 4.953 120.275 115.700 -0.630 0.000 2.516 221 S HA 0.141 4.654 4.470 0.073 0.000 0.282 221 S C 1.529 175.791 174.600 -0.562 0.000 1.286 221 S CA -0.148 57.616 58.200 -0.727 0.000 1.066 221 S CB 0.656 63.079 63.200 -1.295 0.000 0.884 221 S HN 0.544 nan 8.310 nan 0.000 0.491 222 L N 2.114 123.126 121.223 -0.352 0.000 2.467 222 L HA 0.296 4.679 4.340 0.073 0.000 0.213 222 L C 0.952 177.791 176.870 -0.050 0.000 1.053 222 L CA 0.207 54.947 54.840 -0.166 0.000 0.847 222 L CB -0.029 41.985 42.059 -0.074 0.000 1.075 222 L HN 0.446 nan 8.230 nan 0.000 0.479 223 N N 0.456 119.079 118.700 -0.128 0.000 2.841 223 N HA 0.183 4.967 4.740 0.073 0.000 0.257 223 N C -2.063 173.359 175.510 -0.148 0.000 1.396 223 N CA -2.010 50.983 53.050 -0.096 0.000 0.823 223 N CB 1.035 39.448 38.487 -0.123 0.000 1.162 223 N HN -0.126 nan 8.380 nan 0.000 0.503 224 P HA -0.106 nan 4.420 nan 0.000 0.219 224 P C 1.037 178.290 177.300 -0.077 0.000 1.150 224 P CA 0.892 63.916 63.100 -0.128 0.000 0.814 224 P CB 0.695 32.369 31.700 -0.043 0.000 0.787 225 E N 0.617 120.788 120.200 -0.050 0.000 2.077 225 E HA -0.214 4.179 4.350 0.073 0.000 0.193 225 E C 2.204 178.778 176.600 -0.042 0.000 0.989 225 E CA 1.225 57.610 56.400 -0.024 0.000 0.800 225 E CB -0.180 29.523 29.700 0.006 0.000 0.746 225 E HN 0.088 nan 8.360 nan 0.000 0.452 226 K N 0.273 120.601 120.400 -0.121 0.000 2.062 226 K HA -0.108 4.255 4.320 0.073 0.000 0.205 226 K C 2.181 178.643 176.600 -0.231 0.000 1.051 226 K CA 0.913 57.030 56.287 -0.282 0.000 0.941 226 K CB -0.046 32.144 32.500 -0.517 0.000 0.719 226 K HN 0.159 nan 8.250 nan 0.000 0.440 227 L N 0.704 121.819 121.223 -0.180 0.000 2.083 227 L HA -0.174 4.210 4.340 0.073 0.000 0.209 227 L C 2.370 179.252 176.870 0.020 0.000 1.083 227 L CA 0.845 55.630 54.840 -0.092 0.000 0.752 227 L CB -0.397 41.612 42.059 -0.084 0.000 0.899 227 L HN 0.043 nan 8.230 nan 0.000 0.433 228 V N -0.009 119.902 119.914 -0.004 0.000 2.358 228 V HA -0.281 3.882 4.120 0.073 0.000 0.246 228 V C 2.482 178.604 176.094 0.047 0.000 1.047 228 V CA 1.957 64.269 62.300 0.020 0.000 1.035 228 V CB -0.429 31.392 31.823 -0.002 0.000 0.658 228 V HN 0.498 nan 8.190 nan 0.000 0.452 229 E N 0.855 121.084 120.200 0.048 0.000 2.070 229 E HA -0.246 4.147 4.350 0.073 0.000 0.197 229 E C 1.948 178.625 176.600 0.129 0.000 1.004 229 E CA 2.214 58.676 56.400 0.104 0.000 0.805 229 E CB -0.244 29.566 29.700 0.184 0.000 0.744 229 E HN 0.786 nan 8.360 nan 0.000 0.451 230 I N -2.605 118.039 120.570 0.123 0.000 3.684 230 I HA 0.211 4.425 4.170 0.073 0.000 0.304 230 I C 0.135 176.411 176.117 0.265 0.000 1.278 230 I CA 0.085 61.508 61.300 0.205 0.000 1.272 230 I CB -0.047 38.091 38.000 0.229 0.000 1.029 230 I HN 0.039 nan 8.210 nan 0.000 0.458 231 R N -0.847 119.766 120.500 0.189 0.000 3.878 231 R HA -0.258 4.125 4.340 0.073 0.000 0.330 231 R C 0.835 177.296 176.300 0.270 0.000 1.186 231 R CA 1.053 57.246 56.100 0.155 0.000 0.885 231 R CB -2.929 27.409 30.300 0.064 0.000 1.377 231 R HN 0.587 nan 8.270 nan 0.000 0.523 232 F N 0.504 120.577 119.950 0.205 0.000 2.186 232 F HA 0.031 4.601 4.527 0.072 0.000 0.299 232 F C 0.801 176.564 175.800 -0.063 0.000 1.090 232 F CA 1.236 59.262 58.000 0.044 0.000 1.307 232 F CB 0.432 39.253 39.000 -0.298 0.000 1.019 232 F HN -0.031 nan 8.300 nan 0.000 0.489 233 S N -1.017 114.713 115.700 0.049 0.000 2.638 233 S HA 0.730 5.243 4.470 0.073 0.000 0.302 233 S C -0.098 174.487 174.600 -0.024 0.000 1.096 233 S CA -0.359 57.813 58.200 -0.047 0.000 0.953 233 S CB 1.441 64.654 63.200 0.023 0.000 1.107 233 S HN 0.377 nan 8.310 nan 0.000 0.503 234 G N -0.029 108.749 108.800 -0.036 0.000 2.685 234 G HA2 0.679 4.683 3.960 0.073 0.000 0.298 234 G HA3 0.679 4.683 3.960 0.073 0.000 0.298 234 G C -1.038 173.845 174.900 -0.028 0.000 1.277 234 G CA -0.899 44.189 45.100 -0.020 0.000 0.986 234 G HN 0.661 nan 8.290 nan 0.000 0.487 235 I N 1.927 122.480 120.570 -0.028 0.000 2.436 235 I HA 0.164 4.378 4.170 0.073 0.000 0.289 235 I C -1.828 174.294 176.117 0.008 0.000 1.083 235 I CA -1.240 60.023 61.300 -0.062 0.000 1.372 235 I CB 1.241 39.219 38.000 -0.037 0.000 1.408 235 I HN 0.147 nan 8.210 nan 0.000 0.516 236 P HA 0.115 nan 4.420 nan 0.000 0.271 236 P C 0.583 178.006 177.300 0.206 0.000 1.216 236 P CA -0.274 62.920 63.100 0.155 0.000 0.776 236 P CB 1.023 32.873 31.700 0.250 0.000 0.881 237 A N 2.642 125.532 122.820 0.117 0.000 1.940 237 A HA -0.326 4.038 4.320 0.073 0.000 0.221 237 A C 1.944 179.566 177.584 0.063 0.000 1.190 237 A CA 1.966 54.047 52.037 0.073 0.000 0.647 237 A CB -1.170 17.851 19.000 0.034 0.000 0.821 237 A HN 0.572 nan 8.150 nan 0.000 0.457 238 Q N -1.420 118.420 119.800 0.067 0.000 2.181 238 Q HA -0.163 4.221 4.340 0.073 0.000 0.205 238 Q C 1.588 177.500 176.000 -0.146 0.000 0.980 238 Q CA 1.772 57.540 55.803 -0.058 0.000 0.862 238 Q CB -0.633 28.064 28.738 -0.070 0.000 0.905 238 Q HN 0.853 nan 8.270 nan 0.000 0.429 239 Y N 0.313 120.606 120.300 -0.011 0.000 2.561 239 Y HA -0.065 4.528 4.550 0.072 0.000 0.291 239 Y C 1.853 177.771 175.900 0.030 0.000 1.141 239 Y CA 0.583 58.750 58.100 0.110 0.000 1.303 239 Y CB 0.257 38.855 38.460 0.229 0.000 1.015 239 Y HN 0.104 nan 8.280 nan 0.000 0.547 240 Q N -0.195 119.656 119.800 0.085 0.000 2.436 240 Q HA -0.094 4.290 4.340 0.073 0.000 0.209 240 Q C 1.865 177.826 176.000 -0.065 0.000 0.965 240 Q CA 0.591 56.416 55.803 0.037 0.000 0.910 240 Q CB -0.137 28.616 28.738 0.024 0.000 0.980 240 Q HN 0.259 nan 8.270 nan 0.000 0.491 241 K N -0.265 119.986 120.400 -0.248 0.000 2.525 241 K HA 0.068 4.432 4.320 0.073 0.000 0.192 241 K C 0.307 176.705 176.600 -0.338 0.000 1.029 241 K CA 0.113 56.203 56.287 -0.329 0.000 1.029 241 K CB -0.271 31.962 32.500 -0.446 0.000 0.814 241 K HN 0.111 nan 8.250 nan 0.000 0.503 242 F N 0.988 120.949 119.950 0.018 0.000 2.399 242 F HA 0.306 4.876 4.527 0.072 0.000 0.328 242 F C 1.876 177.694 175.800 0.031 0.000 1.084 242 F CA -1.216 56.797 58.000 0.022 0.000 1.053 242 F CB 0.905 39.931 39.000 0.044 0.000 1.209 242 F HN -0.140 nan 8.300 nan 0.000 0.502 243 Q N 0.196 120.143 119.800 0.245 0.000 2.167 243 Q HA -0.123 4.261 4.340 0.073 0.000 0.202 243 Q C 0.189 176.262 176.000 0.123 0.000 0.970 243 Q CA 1.062 56.947 55.803 0.136 0.000 0.855 243 Q CB -0.011 28.783 28.738 0.094 0.000 0.911 243 Q HN 0.374 nan 8.270 nan 0.000 0.438 244 N N -0.289 118.497 118.700 0.142 0.000 2.664 244 N HA 0.160 4.943 4.740 0.073 0.000 0.257 244 N C -2.432 173.162 175.510 0.141 0.000 1.108 244 N CA -1.853 51.259 53.050 0.103 0.000 0.822 244 N CB 1.524 40.041 38.487 0.050 0.000 1.199 244 N HN -0.214 nan 8.380 nan 0.000 0.529 245 P HA -0.091 nan 4.420 nan 0.000 0.216 245 P C 1.522 178.900 177.300 0.129 0.000 1.153 245 P CA 0.920 64.178 63.100 0.262 0.000 0.848 245 P CB 0.330 32.157 31.700 0.212 0.000 0.787 246 M N -0.114 119.519 119.600 0.056 0.000 2.132 246 M HA -0.013 4.510 4.480 0.073 0.000 0.263 246 M C 1.907 178.208 176.300 0.002 0.000 1.065 246 M CA 1.684 56.986 55.300 0.004 0.000 1.122 246 M CB -1.407 31.199 32.600 0.010 0.000 1.365 246 M HN -0.160 nan 8.290 nan 0.000 0.411 247 A N 0.151 122.978 122.820 0.011 0.000 1.908 247 A HA -0.175 4.189 4.320 0.073 0.000 0.218 247 A C 2.126 179.689 177.584 -0.035 0.000 1.181 247 A CA 2.040 54.070 52.037 -0.012 0.000 0.627 247 A CB -0.674 18.316 19.000 -0.017 0.000 0.818 247 A HN 0.570 nan 8.150 nan 0.000 0.445 248 M N -1.335 118.241 119.600 -0.040 0.000 2.175 248 M HA -0.050 4.473 4.480 0.073 0.000 0.264 248 M C 2.158 178.509 176.300 0.085 0.000 1.063 248 M CA 1.075 56.326 55.300 -0.082 0.000 1.119 248 M CB -1.243 31.174 32.600 -0.306 0.000 1.377 248 M HN 0.455 nan 8.290 nan 0.000 0.415 249 L N 0.762 122.004 121.223 0.032 0.000 2.017 249 L HA -0.159 4.225 4.340 0.073 0.000 0.208 249 L C 2.262 179.142 176.870 0.016 0.000 1.073 249 L CA 1.927 56.691 54.840 -0.126 0.000 0.745 249 L CB -0.543 41.320 42.059 -0.326 0.000 0.894 249 L HN 0.174 nan 8.230 nan 0.000 0.432 250 K N -0.970 119.438 120.400 0.013 0.000 2.057 250 K HA -0.209 4.154 4.320 0.073 0.000 0.207 250 K C 2.311 178.916 176.600 0.009 0.000 1.049 250 K CA 1.654 57.960 56.287 0.031 0.000 0.931 250 K CB -0.247 32.258 32.500 0.009 0.000 0.714 250 K HN 0.203 nan 8.250 nan 0.000 0.440 251 R N 1.195 121.679 120.500 -0.027 0.000 2.083 251 R HA -0.151 4.232 4.340 0.073 0.000 0.237 251 R C 2.204 178.456 176.300 -0.079 0.000 1.137 251 R CA 1.675 57.740 56.100 -0.058 0.000 0.951 251 R CB -0.260 29.989 30.300 -0.085 0.000 0.851 251 R HN 0.295 nan 8.270 nan 0.000 0.434 252 N N -0.547 118.091 118.700 -0.104 0.000 2.149 252 N HA -0.218 4.565 4.740 0.073 0.000 0.188 252 N C 0.636 175.969 175.510 -0.295 0.000 1.019 252 N CA 1.290 54.204 53.050 -0.226 0.000 0.857 252 N CB 0.044 38.355 38.487 -0.295 0.000 0.997 252 N HN 0.285 nan 8.380 nan 0.000 0.426 253 Y N 1.131 121.395 120.300 -0.060 0.000 2.458 253 Y HA 0.153 4.747 4.550 0.072 0.000 0.256 253 Y C 0.498 176.300 175.900 -0.163 0.000 1.159 253 Y CA -0.344 57.691 58.100 -0.107 0.000 1.261 253 Y CB -0.050 38.343 38.460 -0.112 0.000 1.119 253 Y HN 0.194 nan 8.280 nan 0.000 0.524 254 Q N 0.798 120.577 119.800 -0.034 0.000 2.349 254 Q HA 0.300 4.683 4.340 0.073 0.000 0.287 254 Q C -0.977 174.933 176.000 -0.150 0.000 1.044 254 Q CA 0.406 56.139 55.803 -0.116 0.000 0.918 254 Q CB 0.940 29.627 28.738 -0.086 0.000 1.242 254 Q HN 0.332 nan 8.270 nan 0.000 0.405 255 L N 2.256 123.336 121.223 -0.239 0.000 2.354 255 L HA 0.550 4.934 4.340 0.073 0.000 0.264 255 L C -2.138 174.644 176.870 -0.148 0.000 1.008 255 L CA -2.668 52.046 54.840 -0.209 0.000 0.819 255 L CB 1.959 43.840 42.059 -0.297 0.000 1.339 255 L HN 0.655 nan 8.230 nan 0.000 0.420 256 P HA 0.007 nan 4.420 nan 0.000 0.267 256 P C 0.143 177.429 177.300 -0.024 0.000 1.201 256 P CA -0.045 63.025 63.100 -0.050 0.000 0.775 256 P CB 0.499 32.175 31.700 -0.041 0.000 0.854 257 S N -0.280 115.425 115.700 0.007 0.000 2.575 257 S HA 0.469 4.983 4.470 0.073 0.000 0.215 257 S C 0.520 175.143 174.600 0.039 0.000 0.966 257 S CA 0.042 58.268 58.200 0.045 0.000 0.911 257 S CB -0.049 63.177 63.200 0.043 0.000 0.780 257 S HN 0.659 nan 8.310 nan 0.000 0.514 258 A N 1.398 124.230 122.820 0.021 0.000 2.574 258 A HA 0.755 5.119 4.320 0.073 0.000 0.297 258 A C -3.254 174.336 177.584 0.010 0.000 1.062 258 A CA -1.728 50.323 52.037 0.023 0.000 0.686 258 A CB 0.613 19.630 19.000 0.028 0.000 1.285 258 A HN 0.123 nan 8.150 nan 0.000 0.403 259 P HA 0.214 nan 4.420 nan 0.000 0.269 259 P C 0.136 177.444 177.300 0.012 0.000 1.215 259 P CA -0.079 63.025 63.100 0.006 0.000 0.780 259 P CB 0.666 32.383 31.700 0.028 0.000 0.898 260 K N 0.525 120.927 120.400 0.003 0.000 2.334 260 K HA 0.099 4.462 4.320 0.073 0.000 0.195 260 K C 0.090 176.699 176.600 0.014 0.000 1.045 260 K CA 0.423 56.712 56.287 0.004 0.000 1.004 260 K CB -0.335 32.160 32.500 -0.009 0.000 0.837 260 K HN 0.485 nan 8.250 nan 0.000 0.510 261 N N 1.387 120.103 118.700 0.026 0.000 2.470 261 N HA -0.002 4.781 4.740 0.073 0.000 0.268 261 N C -0.484 175.052 175.510 0.044 0.000 1.136 261 N CA 0.033 53.104 53.050 0.034 0.000 0.961 261 N CB 0.936 39.454 38.487 0.051 0.000 1.067 261 N HN -0.108 nan 8.380 nan 0.000 0.468 262 S N 2.116 117.837 115.700 0.035 0.000 2.544 262 S HA 0.235 4.749 4.470 0.073 0.000 0.290 262 S C 1.380 176.008 174.600 0.046 0.000 1.276 262 S CA 0.740 58.962 58.200 0.037 0.000 1.075 262 S CB -0.365 62.852 63.200 0.028 0.000 0.849 262 S HN 0.857 nan 8.310 nan 0.000 0.494 263 G N 3.186 112.017 108.800 0.051 0.000 2.159 263 G HA2 -0.240 3.763 3.960 0.073 0.000 0.256 263 G HA3 -0.240 3.763 3.960 0.073 0.000 0.256 263 G C -0.007 174.937 174.900 0.072 0.000 0.977 263 G CA 0.197 45.330 45.100 0.054 0.000 0.652 263 G HN 0.903 nan 8.290 nan 0.000 0.531 264 L N 1.294 122.571 121.223 0.091 0.000 2.455 264 L HA 0.651 5.034 4.340 0.073 0.000 0.272 264 L C 0.868 177.835 176.870 0.162 0.000 1.174 264 L CA 0.604 55.523 54.840 0.131 0.000 0.869 264 L CB 0.290 42.438 42.059 0.149 0.000 1.130 264 L HN 0.594 nan 8.230 nan 0.000 0.474 265 R N 2.512 123.116 120.500 0.172 0.000 2.734 265 R HA 0.516 4.899 4.340 0.073 0.000 0.271 265 R C -1.078 175.231 176.300 0.016 0.000 1.021 265 R CA -0.998 55.185 56.100 0.140 0.000 0.893 265 R CB 0.814 31.146 30.300 0.054 0.000 1.244 265 R HN 0.455 nan 8.270 nan 0.000 0.464 266 E N 1.323 121.412 120.200 -0.186 0.000 2.415 266 E HA -0.014 4.379 4.350 0.073 0.000 0.262 266 E C -0.316 176.130 176.600 -0.257 0.000 1.038 266 E CA -0.016 56.096 56.400 -0.482 0.000 0.921 266 E CB 0.720 30.150 29.700 -0.449 0.000 0.950 266 E HN 0.361 nan 8.360 nan 0.000 0.438 267 M N 2.614 122.054 119.600 -0.267 0.000 2.238 267 M HA 0.069 4.592 4.480 0.073 0.000 0.347 267 M C -0.553 175.658 176.300 -0.149 0.000 1.173 267 M CA 0.680 55.881 55.300 -0.165 0.000 1.147 267 M CB 0.337 32.846 32.600 -0.152 0.000 1.547 267 M HN 0.295 nan 8.290 nan 0.000 0.455 268 K N 4.258 124.591 120.400 -0.111 0.000 2.295 268 K HA 0.426 4.789 4.320 0.073 0.000 0.239 268 K C -2.210 174.340 176.600 -0.085 0.000 0.991 268 K CA -1.855 54.376 56.287 -0.093 0.000 0.845 268 K CB 1.314 33.772 32.500 -0.070 0.000 1.197 268 K HN 0.320 nan 8.250 nan 0.000 0.441 269 P HA -0.227 nan 4.420 nan 0.000 0.216 269 P C 1.109 178.376 177.300 -0.056 0.000 1.150 269 P CA 1.482 64.544 63.100 -0.064 0.000 0.843 269 P CB 0.131 31.799 31.700 -0.054 0.000 0.787 270 S N -1.300 114.371 115.700 -0.049 0.000 2.442 270 S HA -0.165 4.348 4.470 0.073 0.000 0.236 270 S C 1.492 176.065 174.600 -0.044 0.000 1.007 270 S CA 1.314 59.490 58.200 -0.040 0.000 0.965 270 S CB -1.107 62.074 63.200 -0.031 0.000 0.773 270 S HN 0.123 nan 8.310 nan 0.000 0.504 271 D N 1.147 121.511 120.400 -0.059 0.000 2.347 271 D HA 0.106 4.790 4.640 0.073 0.000 0.215 271 D C 1.890 178.137 176.300 -0.089 0.000 0.976 271 D CA 0.273 54.232 54.000 -0.069 0.000 0.884 271 D CB -0.127 40.621 40.800 -0.086 0.000 0.915 271 D HN 0.316 nan 8.370 nan 0.000 0.526 272 V N 1.859 121.723 119.914 -0.084 0.000 2.287 272 V HA -0.209 3.955 4.120 0.073 0.000 0.248 272 V C -0.555 175.494 176.094 -0.074 0.000 1.053 272 V CA 1.876 64.121 62.300 -0.092 0.000 1.027 272 V CB -1.292 30.489 31.823 -0.070 0.000 0.646 272 V HN 0.166 nan 8.190 nan 0.000 0.447 273 P HA -0.159 nan 4.420 nan 0.000 0.216 273 P C 1.758 179.044 177.300 -0.023 0.000 1.153 273 P CA 1.394 64.479 63.100 -0.025 0.000 0.848 273 P CB -0.017 31.674 31.700 -0.014 0.000 0.787 274 Q N -0.918 118.864 119.800 -0.030 0.000 2.083 274 Q HA -0.080 4.303 4.340 0.073 0.000 0.198 274 Q C 2.121 178.102 176.000 -0.032 0.000 0.969 274 Q CA 1.163 56.958 55.803 -0.014 0.000 0.838 274 Q CB -0.716 28.017 28.738 -0.007 0.000 0.900 274 Q HN 0.058 nan 8.270 nan 0.000 0.436 275 V N 0.868 120.714 119.914 -0.112 0.000 2.358 275 V HA -0.272 3.892 4.120 0.073 0.000 0.246 275 V C 2.320 178.307 176.094 -0.179 0.000 1.047 275 V CA 1.907 64.052 62.300 -0.259 0.000 1.035 275 V CB -0.544 30.981 31.823 -0.497 0.000 0.658 275 V HN 0.321 nan 8.190 nan 0.000 0.452 276 R N 0.162 120.600 120.500 -0.104 0.000 2.083 276 R HA -0.224 4.159 4.340 0.073 0.000 0.237 276 R C 2.534 178.860 176.300 0.043 0.000 1.137 276 R CA 2.115 58.205 56.100 -0.017 0.000 0.951 276 R CB -0.347 29.955 30.300 0.003 0.000 0.851 276 R HN 0.407 nan 8.270 nan 0.000 0.434 277 R N 0.899 121.422 120.500 0.038 0.000 2.080 277 R HA -0.164 4.220 4.340 0.073 0.000 0.236 277 R C 2.458 178.823 176.300 0.109 0.000 1.137 277 R CA 2.346 58.485 56.100 0.065 0.000 0.943 277 R CB -0.496 29.834 30.300 0.050 0.000 0.846 277 R HN 0.530 nan 8.270 nan 0.000 0.431 278 I N -1.309 119.338 120.570 0.128 0.000 2.439 278 I HA -0.122 4.092 4.170 0.073 0.000 0.251 278 I C 2.170 178.465 176.117 0.296 0.000 1.139 278 I CA 0.827 62.246 61.300 0.198 0.000 1.438 278 I CB -0.362 37.764 38.000 0.209 0.000 1.085 278 I HN 0.136 nan 8.210 nan 0.000 0.427 279 L N 0.955 122.364 121.223 0.309 0.000 2.027 279 L HA -0.103 4.280 4.340 0.073 0.000 0.206 279 L C 2.482 179.528 176.870 0.295 0.000 1.074 279 L CA 1.940 57.022 54.840 0.403 0.000 0.745 279 L CB -0.552 41.726 42.059 0.364 0.000 0.898 279 L HN 0.183 nan 8.230 nan 0.000 0.433 280 M N -0.555 119.159 119.600 0.190 0.000 2.175 280 M HA -0.153 4.370 4.480 0.073 0.000 0.264 280 M C 2.039 178.425 176.300 0.143 0.000 1.063 280 M CA 1.175 56.552 55.300 0.129 0.000 1.119 280 M CB -1.587 31.064 32.600 0.085 0.000 1.377 280 M HN 0.334 nan 8.290 nan 0.000 0.415 281 N N 0.008 118.809 118.700 0.169 0.000 2.104 281 N HA -0.207 4.577 4.740 0.073 0.000 0.190 281 N C 1.638 177.290 175.510 0.237 0.000 1.024 281 N CA 1.272 54.425 53.050 0.171 0.000 0.853 281 N CB -0.630 37.954 38.487 0.162 0.000 1.008 281 N HN 0.383 nan 8.380 nan 0.000 0.424 282 Y N 1.445 121.842 120.300 0.161 0.000 2.184 282 Y HA 0.053 4.643 4.550 0.066 0.000 0.290 282 Y C 2.038 178.114 175.900 0.295 0.000 1.129 282 Y CA 1.141 59.368 58.100 0.211 0.000 1.144 282 Y CB -0.567 38.039 38.460 0.243 0.000 0.995 282 Y HN -0.031 nan 8.280 nan 0.000 0.513 283 L N -0.075 121.237 121.223 0.148 0.000 2.275 283 L HA -0.179 4.205 4.340 0.073 0.000 0.215 283 L C 1.901 178.870 176.870 0.166 0.000 1.119 283 L CA 1.227 56.124 54.840 0.095 0.000 0.790 283 L CB -0.686 41.378 42.059 0.007 0.000 0.919 283 L HN 0.145 nan 8.230 nan 0.000 0.443 284 D N 0.349 120.809 120.400 0.099 0.000 2.203 284 D HA -0.176 4.508 4.640 0.073 0.000 0.199 284 D C 2.288 178.595 176.300 0.012 0.000 0.997 284 D CA 1.734 55.769 54.000 0.059 0.000 0.863 284 D CB 0.058 40.890 40.800 0.053 0.000 0.928 284 D HN 0.389 nan 8.370 nan 0.000 0.458 285 S N -1.005 114.649 115.700 -0.076 0.000 2.555 285 S HA -0.050 4.464 4.470 0.073 0.000 0.230 285 S C 0.619 174.947 174.600 -0.453 0.000 0.978 285 S CA -0.042 57.985 58.200 -0.288 0.000 0.934 285 S CB -0.319 62.640 63.200 -0.402 0.000 0.766 285 S HN 0.008 nan 8.310 nan 0.000 0.533 286 F N 1.787 121.689 119.950 -0.080 0.000 2.432 286 F HA 0.459 5.026 4.527 0.066 0.000 0.329 286 F C 1.241 177.042 175.800 0.000 0.000 1.076 286 F CA -1.239 56.725 58.000 -0.059 0.000 1.018 286 F CB 0.916 39.844 39.000 -0.119 0.000 1.201 286 F HN -0.135 nan 8.300 nan 0.000 0.489 287 D N 0.608 121.145 120.400 0.228 0.000 2.117 287 D HA -0.036 4.647 4.640 0.073 0.000 0.198 287 D C 0.157 176.582 176.300 0.208 0.000 0.982 287 D CA 1.468 55.602 54.000 0.224 0.000 0.828 287 D CB 0.229 41.206 40.800 0.295 0.000 0.967 287 D HN 0.028 nan 8.370 nan 0.000 0.464 288 V N -0.080 119.931 119.914 0.162 0.000 2.444 288 V HA 0.714 4.878 4.120 0.073 0.000 0.294 288 V C 0.359 176.468 176.094 0.025 0.000 1.022 288 V CA -0.516 61.826 62.300 0.070 0.000 0.850 288 V CB 1.739 33.577 31.823 0.025 0.000 0.992 288 V HN 0.183 nan 8.190 nan 0.000 0.426 289 G N 5.578 114.370 108.800 -0.012 0.000 2.667 289 G HA2 0.669 4.673 3.960 0.073 0.000 0.294 289 G HA3 0.669 4.673 3.960 0.073 0.000 0.294 289 G C -3.465 171.339 174.900 -0.159 0.000 1.467 289 G CA -0.995 44.061 45.100 -0.073 0.000 0.852 289 G HN 0.449 nan 8.290 nan 0.000 0.521 290 P HA 0.430 nan 4.420 nan 0.000 0.277 290 P C -0.422 176.497 177.300 -0.634 0.000 1.240 290 P CA -0.324 62.448 63.100 -0.547 0.000 0.798 290 P CB 1.945 33.071 31.700 -0.956 0.000 0.979 291 V N 3.424 123.025 119.914 -0.523 0.000 2.398 291 V HA 0.363 4.527 4.120 0.073 0.000 0.286 291 V C -0.197 175.700 176.094 -0.329 0.000 1.026 291 V CA -0.219 61.864 62.300 -0.360 0.000 0.868 291 V CB 0.427 32.137 31.823 -0.188 0.000 0.982 291 V HN 0.348 nan 8.190 nan 0.000 0.443 292 F N 2.551 122.476 119.950 -0.043 0.000 2.493 292 F HA 0.544 5.074 4.527 0.005 0.000 0.329 292 F C 0.771 176.571 175.800 -0.000 0.000 1.126 292 F CA -0.792 57.197 58.000 -0.018 0.000 0.937 292 F CB 2.077 41.045 39.000 -0.053 0.000 1.146 292 F HN 0.573 nan 8.300 nan 0.000 0.442 293 S N 1.161 117.000 115.700 0.230 0.000 2.608 293 S HA 0.104 4.617 4.470 0.073 0.000 0.261 293 S C 0.873 175.531 174.600 0.095 0.000 1.314 293 S CA -0.550 57.727 58.200 0.130 0.000 0.992 293 S CB 0.752 64.014 63.200 0.104 0.000 0.935 293 S HN 0.581 nan 8.310 nan 0.000 0.564 294 D N 1.324 121.755 120.400 0.051 0.000 2.133 294 D HA -0.106 4.577 4.640 0.073 0.000 0.195 294 D C 2.232 178.538 176.300 0.010 0.000 0.997 294 D CA 1.935 55.946 54.000 0.019 0.000 0.840 294 D CB -0.938 39.867 40.800 0.007 0.000 0.947 294 D HN 0.718 nan 8.370 nan 0.000 0.452 295 A N 0.858 123.689 122.820 0.018 0.000 1.933 295 A HA -0.212 4.151 4.320 0.073 0.000 0.218 295 A C 2.071 179.659 177.584 0.006 0.000 1.175 295 A CA 1.569 53.610 52.037 0.007 0.000 0.628 295 A CB -0.478 18.523 19.000 0.002 0.000 0.814 295 A HN 0.242 nan 8.150 nan 0.000 0.444 296 E N -0.451 119.770 120.200 0.035 0.000 2.152 296 E HA -0.080 4.313 4.350 0.073 0.000 0.192 296 E C 1.820 178.385 176.600 -0.059 0.000 0.983 296 E CA 0.681 57.104 56.400 0.039 0.000 0.818 296 E CB -0.135 29.710 29.700 0.242 0.000 0.758 296 E HN 0.514 nan 8.360 nan 0.000 0.467 297 I N 0.878 121.395 120.570 -0.087 0.000 2.179 297 I HA -0.252 3.961 4.170 0.073 0.000 0.242 297 I C 2.548 178.612 176.117 -0.088 0.000 1.088 297 I CA 1.132 62.335 61.300 -0.162 0.000 1.357 297 I CB -1.098 36.833 38.000 -0.115 0.000 1.051 297 I HN 0.088 nan 8.210 nan 0.000 0.409 298 S N -0.316 115.354 115.700 -0.050 0.000 2.359 298 S HA -0.287 4.227 4.470 0.073 0.000 0.224 298 S C 2.168 176.759 174.600 -0.015 0.000 1.035 298 S CA 1.932 60.108 58.200 -0.039 0.000 1.018 298 S CB -0.395 62.790 63.200 -0.026 0.000 0.876 298 S HN 0.573 nan 8.310 nan 0.000 0.448 299 H N -0.976 118.029 119.070 -0.110 0.000 2.321 299 H HA -0.061 4.535 4.556 0.068 0.000 0.300 299 H C 1.554 176.899 175.328 0.028 0.000 1.087 299 H CA 2.359 58.319 56.048 -0.147 0.000 1.319 299 H CB -0.311 29.212 29.762 -0.399 0.000 1.379 299 H HN 0.512 nan 8.280 nan 0.000 0.501 300 Y N -0.867 119.522 120.300 0.147 0.000 2.517 300 Y HA 0.121 4.704 4.550 0.055 0.000 0.281 300 Y C 1.792 177.934 175.900 0.404 0.000 1.125 300 Y CA 0.511 58.793 58.100 0.302 0.000 1.283 300 Y CB 0.455 38.907 38.460 -0.012 0.000 1.042 300 Y HN 0.211 nan 8.280 nan 0.000 0.547 301 L N -1.509 119.866 121.223 0.253 0.000 2.685 301 L HA 0.192 4.576 4.340 0.073 0.000 0.235 301 L C 0.142 177.020 176.870 0.013 0.000 1.070 301 L CA 0.003 54.944 54.840 0.168 0.000 0.888 301 L CB 0.260 42.334 42.059 0.026 0.000 1.203 301 L HN -0.104 nan 8.230 nan 0.000 0.499 302 L N 2.314 123.504 121.223 -0.054 0.000 2.490 302 L HA 0.113 4.496 4.340 0.073 0.000 0.274 302 L C -1.945 174.799 176.870 -0.211 0.000 1.201 302 L CA -1.686 53.076 54.840 -0.130 0.000 0.869 302 L CB -0.091 41.892 42.059 -0.127 0.000 1.123 302 L HN -0.234 nan 8.230 nan 0.000 0.484 303 P HA 0.025 nan 4.420 nan 0.000 0.261 303 P C -0.966 176.095 177.300 -0.398 0.000 1.173 303 P CA 0.516 63.404 63.100 -0.354 0.000 0.760 303 P CB 0.367 31.877 31.700 -0.315 0.000 0.783 304 R N 2.370 122.534 120.500 -0.559 0.000 2.502 304 R HA 0.243 4.627 4.340 0.073 0.000 0.300 304 R C -0.756 175.201 176.300 -0.572 0.000 0.984 304 R CA -0.930 54.862 56.100 -0.514 0.000 0.882 304 R CB 1.380 31.323 30.300 -0.596 0.000 1.180 304 R HN 0.392 nan 8.270 nan 0.000 0.444 305 D N 1.377 121.550 120.400 -0.379 0.000 2.586 305 D HA 0.003 4.686 4.640 0.073 0.000 0.234 305 D C 1.440 177.594 176.300 -0.243 0.000 1.132 305 D CA 1.873 55.703 54.000 -0.284 0.000 0.860 305 D CB 0.698 41.417 40.800 -0.134 0.000 1.159 305 D HN 0.860 nan 8.370 nan 0.000 0.490 306 G N 0.935 109.652 108.800 -0.139 0.000 2.189 306 G HA2 -0.304 3.700 3.960 0.073 0.000 0.267 306 G HA3 -0.304 3.700 3.960 0.073 0.000 0.267 306 G C 0.838 175.821 174.900 0.138 0.000 0.975 306 G CA 0.531 45.707 45.100 0.128 0.000 0.644 306 G HN 0.463 nan 8.290 nan 0.000 0.537 307 V N -1.555 118.214 119.914 -0.242 0.000 3.278 307 V HA 0.589 4.752 4.120 0.073 0.000 0.215 307 V C 0.798 176.620 176.094 -0.453 0.000 1.287 307 V CA 1.053 63.203 62.300 -0.250 0.000 1.302 307 V CB 1.110 32.605 31.823 -0.547 0.000 1.228 307 V HN 0.752 nan 8.190 nan 0.000 0.523 308 V N 0.593 119.955 119.914 -0.919 0.000 2.760 308 V HA 0.680 4.844 4.120 0.073 0.000 0.309 308 V C -2.168 173.423 176.094 -0.838 0.000 1.077 308 V CA -0.572 61.311 62.300 -0.695 0.000 0.910 308 V CB 2.062 33.372 31.823 -0.856 0.000 1.008 308 V HN 0.306 nan 8.190 nan 0.000 0.424 309 F N 3.475 123.166 119.950 -0.432 0.000 2.518 309 F HA 0.764 5.335 4.527 0.072 0.000 0.323 309 F C 0.191 175.870 175.800 -0.203 0.000 1.129 309 F CA -0.489 57.248 58.000 -0.437 0.000 0.920 309 F CB 2.667 41.116 39.000 -0.918 0.000 1.160 309 F HN 0.372 nan 8.300 nan 0.000 0.440 310 T N 2.320 116.843 114.554 -0.051 0.000 2.971 310 T HA 0.508 4.901 4.350 0.073 0.000 0.304 310 T C -1.496 173.043 174.700 -0.270 0.000 1.038 310 T CA -0.862 61.255 62.100 0.028 0.000 1.007 310 T CB 1.066 69.980 68.868 0.076 0.000 1.055 310 T HN 0.336 nan 8.240 nan 0.000 0.451 311 Y N 1.062 121.165 120.300 -0.328 0.000 2.462 311 Y HA 0.642 5.236 4.550 0.072 0.000 0.346 311 Y C 0.109 175.836 175.900 -0.289 0.000 0.976 311 Y CA -1.208 56.651 58.100 -0.402 0.000 1.044 311 Y CB 1.923 39.968 38.460 -0.692 0.000 1.230 311 Y HN 0.564 nan 8.280 nan 0.000 0.455 312 V N 0.014 119.934 119.914 0.010 0.000 2.815 312 V HA 0.722 4.886 4.120 0.073 0.000 0.314 312 V C -0.850 175.293 176.094 0.080 0.000 1.064 312 V CA -1.040 61.307 62.300 0.079 0.000 0.952 312 V CB 1.583 33.441 31.823 0.059 0.000 1.020 312 V HN 0.482 nan 8.190 nan 0.000 0.439 313 V N 3.545 123.520 119.914 0.101 0.000 2.368 313 V HA 0.426 4.589 4.120 0.073 0.000 0.266 313 V C 0.225 176.361 176.094 0.070 0.000 1.045 313 V CA 0.032 62.384 62.300 0.087 0.000 0.899 313 V CB 0.618 32.493 31.823 0.086 0.000 1.006 313 V HN 1.060 nan 8.190 nan 0.000 0.470 314 E N 4.968 125.202 120.200 0.057 0.000 2.186 314 E HA 0.392 4.785 4.350 0.073 0.000 0.255 314 E C -0.927 175.696 176.600 0.038 0.000 0.881 314 E CA -0.531 55.895 56.400 0.043 0.000 0.752 314 E CB 1.003 30.723 29.700 0.032 0.000 1.176 314 E HN 0.779 nan 8.360 nan 0.000 0.421 315 N N 3.638 122.359 118.700 0.035 0.000 2.372 315 N HA 0.192 4.975 4.740 0.073 0.000 0.291 315 N C -1.221 174.304 175.510 0.025 0.000 1.024 315 N CA -0.579 52.489 53.050 0.030 0.000 0.873 315 N CB 1.223 39.727 38.487 0.029 0.000 1.206 315 N HN 0.424 nan 8.380 nan 0.000 0.486 316 D N 1.900 122.313 120.400 0.021 0.000 2.870 316 D HA -0.197 4.486 4.640 0.073 0.000 0.228 316 D C -0.459 175.851 176.300 0.017 0.000 1.147 316 D CA 0.965 54.976 54.000 0.018 0.000 0.757 316 D CB -0.633 40.178 40.800 0.018 0.000 1.091 316 D HN 0.830 nan 8.370 nan 0.000 0.429 317 K N -2.742 117.668 120.400 0.017 0.000 3.423 317 K HA -0.189 4.174 4.320 0.073 0.000 0.306 317 K C 0.091 176.700 176.600 0.016 0.000 1.331 317 K CA 0.925 57.221 56.287 0.014 0.000 0.905 317 K CB -0.376 32.130 32.500 0.011 0.000 1.332 317 K HN 0.120 nan 8.250 nan 0.000 0.473 318 K N 1.175 121.588 120.400 0.021 0.000 2.378 318 K HA 0.385 4.748 4.320 0.073 0.000 0.252 318 K C -0.656 175.964 176.600 0.032 0.000 0.931 318 K CA -0.635 55.666 56.287 0.024 0.000 0.794 318 K CB 2.283 34.798 32.500 0.025 0.000 1.181 318 K HN -0.084 nan 8.250 nan 0.000 0.425 319 V N 3.496 123.430 119.914 0.034 0.000 2.432 319 V HA 0.130 4.294 4.120 0.073 0.000 0.271 319 V C 1.308 177.443 176.094 0.069 0.000 1.046 319 V CA 0.119 62.449 62.300 0.050 0.000 0.945 319 V CB 1.038 32.885 31.823 0.039 0.000 0.992 319 V HN 0.982 nan 8.190 nan 0.000 0.471 320 T N 0.138 114.742 114.554 0.083 0.000 2.955 320 T HA 0.308 4.702 4.350 0.073 0.000 0.251 320 T C 0.075 174.844 174.700 0.114 0.000 1.002 320 T CA -0.073 62.078 62.100 0.084 0.000 0.970 320 T CB 0.338 69.242 68.868 0.060 0.000 1.091 320 T HN 0.622 nan 8.240 nan 0.000 0.495 321 D N 0.195 120.684 120.400 0.148 0.000 2.609 321 D HA 0.644 5.327 4.640 0.073 0.000 0.239 321 D C -1.453 175.017 176.300 0.283 0.000 1.229 321 D CA -0.828 53.277 54.000 0.175 0.000 0.808 321 D CB 1.992 42.852 40.800 0.099 0.000 1.448 321 D HN 0.364 nan 8.370 nan 0.000 0.433 322 F N -0.252 119.770 119.950 0.119 0.000 2.693 322 F HA 0.783 5.359 4.527 0.080 0.000 0.309 322 F C -2.251 173.698 175.800 0.248 0.000 1.129 322 F CA -1.302 56.754 58.000 0.093 0.000 0.948 322 F CB 1.152 40.190 39.000 0.062 0.000 1.315 322 F HN 0.313 nan 8.300 nan 0.000 0.447 323 F N 0.499 120.480 119.950 0.051 0.000 2.626 323 F HA 0.884 5.454 4.527 0.073 0.000 0.311 323 F C -1.124 174.904 175.800 0.379 0.000 1.088 323 F CA -1.302 56.703 58.000 0.010 0.000 0.949 323 F CB 1.488 40.506 39.000 0.030 0.000 1.322 323 F HN 0.761 nan 8.300 nan 0.000 0.461 324 S N 1.735 117.887 115.700 0.753 0.000 2.549 324 S HA 0.875 5.388 4.470 0.073 0.000 0.280 324 S C -1.515 173.585 174.600 0.834 0.000 1.109 324 S CA -0.600 58.051 58.200 0.753 0.000 0.905 324 S CB 1.126 64.773 63.200 0.745 0.000 1.081 324 S HN 1.038 nan 8.310 nan 0.000 0.477 325 F N 1.825 122.132 119.950 0.595 0.000 2.613 325 F HA 0.855 5.426 4.527 0.074 0.000 0.310 325 F C -1.253 174.798 175.800 0.417 0.000 1.085 325 F CA -1.318 56.900 58.000 0.363 0.000 0.945 325 F CB 0.694 39.737 39.000 0.072 0.000 1.298 325 F HN 0.639 nan 8.300 nan 0.000 0.455 326 Y N -0.096 120.488 120.300 0.472 0.000 2.562 326 Y HA 0.749 5.342 4.550 0.072 0.000 0.343 326 Y C -0.820 175.455 175.900 0.625 0.000 1.025 326 Y CA -1.822 56.523 58.100 0.408 0.000 1.082 326 Y CB 1.307 39.927 38.460 0.267 0.000 1.264 326 Y HN 0.952 nan 8.280 nan 0.000 0.478 327 R N 2.735 123.752 120.500 0.860 0.000 2.295 327 R HA 0.682 5.066 4.340 0.073 0.000 0.324 327 R C -1.891 174.765 176.300 0.593 0.000 0.968 327 R CA -0.485 56.099 56.100 0.806 0.000 0.837 327 R CB 0.557 31.412 30.300 0.925 0.000 1.133 327 R HN 0.931 nan 8.270 nan 0.000 0.450 328 I N 7.251 128.059 120.570 0.397 0.000 2.439 328 I HA 0.357 4.570 4.170 0.073 0.000 0.283 328 I C -2.194 173.995 176.117 0.121 0.000 1.023 328 I CA -2.489 58.790 61.300 -0.035 0.000 1.100 328 I CB 2.069 39.690 38.000 -0.631 0.000 1.238 328 I HN 0.510 nan 8.210 nan 0.000 0.445 329 P HA 0.242 nan 4.420 nan 0.000 0.277 329 P C -0.671 176.703 177.300 0.124 0.000 1.240 329 P CA -0.361 62.797 63.100 0.096 0.000 0.798 329 P CB 1.241 32.992 31.700 0.085 0.000 0.979 330 S N 0.548 116.318 115.700 0.116 0.000 2.454 330 S HA 0.356 4.870 4.470 0.073 0.000 0.306 330 S C -0.219 174.468 174.600 0.145 0.000 1.100 330 S CA -0.379 57.920 58.200 0.165 0.000 1.087 330 S CB 0.520 63.799 63.200 0.131 0.000 1.019 330 S HN 0.354 nan 8.310 nan 0.000 0.480 331 T N 2.715 117.366 114.554 0.163 0.000 2.867 331 T HA 0.127 4.521 4.350 0.073 0.000 0.297 331 T C 0.117 174.938 174.700 0.203 0.000 0.989 331 T CA -0.079 62.111 62.100 0.149 0.000 1.159 331 T CB 0.131 69.068 68.868 0.114 0.000 0.928 331 T HN 0.344 nan 8.240 nan 0.000 0.538 332 V N 6.289 126.323 119.914 0.201 0.000 2.372 332 V HA 0.162 4.326 4.120 0.073 0.000 0.261 332 V C 1.388 177.547 176.094 0.108 0.000 1.055 332 V CA -0.100 62.344 62.300 0.241 0.000 0.930 332 V CB 0.223 32.201 31.823 0.260 0.000 1.031 332 V HN 0.867 nan 8.190 nan 0.000 0.479 333 I N 3.337 123.922 120.570 0.025 0.000 2.286 333 I HA -0.019 4.195 4.170 0.073 0.000 0.245 333 I C 2.231 178.335 176.117 -0.023 0.000 1.104 333 I CA 1.789 63.081 61.300 -0.014 0.000 1.397 333 I CB -0.090 37.871 38.000 -0.064 0.000 1.072 333 I HN 0.742 nan 8.210 nan 0.000 0.417 334 G N -0.584 108.186 108.800 -0.049 0.000 2.784 334 G HA2 -0.016 3.988 3.960 0.073 0.000 0.208 334 G HA3 -0.016 3.988 3.960 0.073 0.000 0.208 334 G C 0.418 175.314 174.900 -0.008 0.000 1.120 334 G CA -0.223 44.851 45.100 -0.043 0.000 0.774 334 G HN 0.226 nan 8.290 nan 0.000 0.528 335 N N 0.277 118.992 118.700 0.025 0.000 2.520 335 N HA 0.474 5.257 4.740 0.073 0.000 0.273 335 N C 1.581 177.122 175.510 0.051 0.000 1.155 335 N CA 0.640 53.727 53.050 0.062 0.000 0.967 335 N CB 1.257 39.829 38.487 0.143 0.000 1.092 335 N HN 0.066 nan 8.380 nan 0.000 0.457 336 S N 2.432 118.146 115.700 0.025 0.000 2.406 336 S HA -0.033 4.481 4.470 0.073 0.000 0.224 336 S C 1.566 176.143 174.600 -0.038 0.000 1.030 336 S CA 0.799 58.997 58.200 -0.003 0.000 0.958 336 S CB -0.303 62.889 63.200 -0.013 0.000 0.811 336 S HN 0.709 nan 8.310 nan 0.000 0.489 337 N N -0.313 118.341 118.700 -0.077 0.000 2.396 337 N HA 0.141 4.924 4.740 0.073 0.000 0.180 337 N C -0.762 174.459 175.510 -0.481 0.000 1.028 337 N CA 0.674 53.559 53.050 -0.275 0.000 0.893 337 N CB 0.048 38.317 38.487 -0.364 0.000 0.967 337 N HN 0.565 nan 8.380 nan 0.000 0.440 338 Y N -1.204 119.107 120.300 0.018 0.000 2.477 338 Y HA 0.372 4.966 4.550 0.073 0.000 0.347 338 Y C 0.482 176.400 175.900 0.030 0.000 0.981 338 Y CA -1.060 57.051 58.100 0.018 0.000 1.033 338 Y CB 1.613 40.085 38.460 0.020 0.000 1.245 338 Y HN -0.133 nan 8.280 nan 0.000 0.455 339 N N 1.104 119.915 118.700 0.185 0.000 2.415 339 N HA 0.253 5.037 4.740 0.073 0.000 0.174 339 N C -0.886 174.703 175.510 0.131 0.000 1.048 339 N CA 0.343 53.469 53.050 0.128 0.000 0.895 339 N CB 0.715 39.255 38.487 0.088 0.000 1.036 339 N HN 0.320 nan 8.380 nan 0.000 0.449 340 L N 0.905 122.203 121.223 0.124 0.000 2.388 340 L HA 0.485 4.869 4.340 0.073 0.000 0.264 340 L C -1.268 175.600 176.870 -0.003 0.000 0.998 340 L CA -0.731 54.152 54.840 0.071 0.000 0.817 340 L CB 2.868 44.956 42.059 0.048 0.000 1.338 340 L HN -0.003 nan 8.230 nan 0.000 0.414 341 L N 2.582 123.772 121.223 -0.056 0.000 2.276 341 L HA 0.445 4.829 4.340 0.073 0.000 0.286 341 L C -0.587 176.191 176.870 -0.153 0.000 1.024 341 L CA -0.386 54.332 54.840 -0.203 0.000 0.826 341 L CB 1.025 42.854 42.059 -0.383 0.000 1.211 341 L HN 0.558 nan 8.230 nan 0.000 0.422 342 N N 4.480 123.082 118.700 -0.164 0.000 2.521 342 N HA 0.414 5.197 4.740 0.073 0.000 0.236 342 N C -0.722 174.800 175.510 0.021 0.000 1.067 342 N CA -0.146 52.843 53.050 -0.101 0.000 0.939 342 N CB 1.171 39.506 38.487 -0.253 0.000 1.201 342 N HN 0.639 nan 8.380 nan 0.000 0.511 343 A N 2.218 125.105 122.820 0.112 0.000 2.305 343 A HA 0.802 5.165 4.320 0.073 0.000 0.322 343 A C -0.290 177.416 177.584 0.204 0.000 1.187 343 A CA -0.750 51.311 52.037 0.040 0.000 0.825 343 A CB 0.778 19.683 19.000 -0.159 0.000 1.164 343 A HN 0.662 nan 8.150 nan 0.000 0.498 344 A N 1.838 124.568 122.820 -0.149 0.000 2.292 344 A HA 0.689 5.053 4.320 0.073 0.000 0.319 344 A C -1.156 176.188 177.584 -0.400 0.000 1.206 344 A CA -0.305 51.503 52.037 -0.381 0.000 0.835 344 A CB 0.255 18.626 19.000 -1.048 0.000 1.164 344 A HN 0.744 nan 8.150 nan 0.000 0.505 345 Y N 1.457 121.581 120.300 -0.293 0.000 2.352 345 Y HA 0.391 4.984 4.550 0.072 0.000 0.339 345 Y C 0.319 176.077 175.900 -0.237 0.000 0.992 345 Y CA -0.748 57.124 58.100 -0.379 0.000 1.100 345 Y CB 1.934 39.844 38.460 -0.917 0.000 1.192 345 Y HN 0.419 nan 8.280 nan 0.000 0.458 346 V N 4.579 124.568 119.914 0.125 0.000 2.529 346 V HA -0.055 4.108 4.120 0.073 0.000 0.292 346 V C 0.305 176.638 176.094 0.398 0.000 1.028 346 V CA 0.361 62.818 62.300 0.261 0.000 1.074 346 V CB -0.098 31.880 31.823 0.259 0.000 0.958 346 V HN 0.794 nan 8.190 nan 0.000 0.481 347 H N 4.433 123.733 119.070 0.384 0.000 3.542 347 H HA 0.461 5.064 4.556 0.079 0.000 0.159 347 H C -0.590 174.828 175.328 0.149 0.000 1.583 347 H CA -0.845 55.432 56.048 0.382 0.000 1.628 347 H CB 0.309 30.456 29.762 0.640 0.000 0.792 347 H HN 0.445 nan 8.280 nan 0.000 0.810 348 Y N 0.034 120.409 120.300 0.125 0.000 2.301 348 Y HA 0.308 4.922 4.550 0.107 0.000 0.328 348 Y C -0.393 175.537 175.900 0.050 0.000 1.242 348 Y CA 0.276 58.404 58.100 0.047 0.000 1.323 348 Y CB 0.433 38.958 38.460 0.108 0.000 1.266 348 Y HN 0.450 nan 8.280 nan 0.000 0.527 349 Y N -1.446 118.851 120.300 -0.005 0.000 2.689 349 Y HA 0.885 5.483 4.550 0.080 0.000 0.333 349 Y C -1.574 174.064 175.900 -0.437 0.000 1.208 349 Y CA -2.192 55.510 58.100 -0.664 0.000 1.055 349 Y CB 1.014 39.341 38.460 -0.222 0.000 1.304 349 Y HN 0.690 nan 8.280 nan 0.000 0.455 350 A N 0.951 123.575 122.820 -0.327 0.000 2.540 350 A HA 0.898 5.262 4.320 0.073 0.000 0.297 350 A C -1.769 175.787 177.584 -0.047 0.000 1.056 350 A CA -0.275 51.709 52.037 -0.087 0.000 0.700 350 A CB 1.028 20.170 19.000 0.238 0.000 1.280 350 A HN 1.876 nan 8.150 nan 0.000 0.398 351 A N 1.170 123.917 122.820 -0.121 0.000 2.330 351 A HA 0.753 5.117 4.320 0.073 0.000 0.313 351 A C 0.597 178.160 177.584 -0.035 0.000 1.124 351 A CA 0.180 52.184 52.037 -0.056 0.000 0.774 351 A CB 0.906 19.855 19.000 -0.084 0.000 1.198 351 A HN 1.904 nan 8.150 nan 0.000 0.465 352 T N -2.196 112.367 114.554 0.014 0.000 2.954 352 T HA 0.063 4.456 4.350 0.073 0.000 0.252 352 T C 1.383 176.096 174.700 0.022 0.000 0.983 352 T CA 1.136 63.252 62.100 0.027 0.000 0.941 352 T CB -0.204 68.696 68.868 0.054 0.000 1.141 352 T HN 1.134 nan 8.240 nan 0.000 0.500 353 S N 1.543 117.253 115.700 0.017 0.000 2.506 353 S HA 0.431 4.945 4.470 0.073 0.000 0.219 353 S C 0.605 175.202 174.600 -0.006 0.000 1.031 353 S CA -0.411 57.796 58.200 0.013 0.000 0.911 353 S CB -0.459 62.755 63.200 0.023 0.000 0.812 353 S HN 0.783 nan 8.310 nan 0.000 0.497 354 I N -1.338 119.217 120.570 -0.026 0.000 2.969 354 I HA 0.685 4.899 4.170 0.073 0.000 0.307 354 I C -3.110 172.945 176.117 -0.103 0.000 1.149 354 I CA -3.049 58.213 61.300 -0.065 0.000 1.008 354 I CB 1.558 39.511 38.000 -0.077 0.000 1.232 354 I HN -0.240 nan 8.210 nan 0.000 0.435 355 P HA 0.110 nan 4.420 nan 0.000 0.272 355 P C 0.500 177.636 177.300 -0.274 0.000 1.223 355 P CA -0.408 62.572 63.100 -0.200 0.000 0.784 355 P CB 1.035 32.559 31.700 -0.294 0.000 0.923 356 L N 2.830 123.969 121.223 -0.140 0.000 2.042 356 L HA -0.223 4.160 4.340 0.073 0.000 0.210 356 L C 2.514 179.237 176.870 -0.245 0.000 1.076 356 L CA 2.259 57.007 54.840 -0.153 0.000 0.749 356 L CB -1.627 40.442 42.059 0.016 0.000 0.893 356 L HN 0.600 nan 8.230 nan 0.000 0.432 357 H N -1.892 117.137 119.070 -0.067 0.000 2.387 357 H HA -0.200 4.400 4.556 0.073 0.000 0.299 357 H C 2.088 177.318 175.328 -0.163 0.000 1.099 357 H CA 1.743 57.729 56.048 -0.103 0.000 1.315 357 H CB -0.644 29.132 29.762 0.023 0.000 1.380 357 H HN 0.590 nan 8.280 nan 0.000 0.513 358 Q N 0.010 119.436 119.800 -0.624 0.000 2.167 358 Q HA -0.089 4.294 4.340 0.073 0.000 0.202 358 Q C 2.141 178.001 176.000 -0.234 0.000 0.970 358 Q CA 1.116 56.712 55.803 -0.345 0.000 0.855 358 Q CB -0.006 28.511 28.738 -0.368 0.000 0.911 358 Q HN 0.524 nan 8.270 nan 0.000 0.438 359 L N 0.392 121.458 121.223 -0.262 0.000 2.044 359 L HA -0.128 4.256 4.340 0.073 0.000 0.205 359 L C 1.950 178.605 176.870 -0.359 0.000 1.075 359 L CA 1.394 56.125 54.840 -0.183 0.000 0.747 359 L CB -0.314 41.660 42.059 -0.141 0.000 0.903 359 L HN 0.268 nan 8.230 nan 0.000 0.435 360 I N -0.523 119.710 120.570 -0.562 0.000 2.546 360 I HA -0.175 4.038 4.170 0.073 0.000 0.255 360 I C 2.417 178.184 176.117 -0.582 0.000 1.163 360 I CA 0.808 61.639 61.300 -0.783 0.000 1.457 360 I CB -1.293 35.925 38.000 -1.303 0.000 1.092 360 I HN 0.341 nan 8.210 nan 0.000 0.434 361 L N 1.484 122.485 121.223 -0.370 0.000 2.079 361 L HA -0.213 4.171 4.340 0.073 0.000 0.210 361 L C 1.886 178.581 176.870 -0.293 0.000 1.081 361 L CA 2.002 56.691 54.840 -0.251 0.000 0.752 361 L CB -0.776 41.207 42.059 -0.127 0.000 0.896 361 L HN 0.108 nan 8.230 nan 0.000 0.433 362 D N -0.684 119.533 120.400 -0.304 0.000 2.178 362 D HA -0.183 4.501 4.640 0.073 0.000 0.202 362 D C 2.289 178.296 176.300 -0.488 0.000 0.974 362 D CA 1.221 55.073 54.000 -0.246 0.000 0.841 362 D CB -0.190 40.609 40.800 -0.003 0.000 0.953 362 D HN 0.423 nan 8.370 nan 0.000 0.478 363 L N 0.284 120.860 121.223 -1.077 0.000 2.013 363 L HA -0.201 4.182 4.340 0.073 0.000 0.212 363 L C 2.180 178.631 176.870 -0.698 0.000 1.073 363 L CA 1.184 55.301 54.840 -1.206 0.000 0.753 363 L CB -0.152 41.102 42.059 -1.342 0.000 0.890 363 L HN 0.054 nan 8.230 nan 0.000 0.432 364 L N -0.596 120.308 121.223 -0.531 0.000 2.046 364 L HA -0.265 4.118 4.340 0.073 0.000 0.208 364 L C 2.500 179.196 176.870 -0.291 0.000 1.077 364 L CA 1.409 56.007 54.840 -0.403 0.000 0.747 364 L CB -0.531 41.341 42.059 -0.312 0.000 0.896 364 L HN 0.314 nan 8.230 nan 0.000 0.432 365 I N -0.734 119.691 120.570 -0.241 0.000 2.142 365 I HA -0.264 3.950 4.170 0.073 0.000 0.240 365 I C 2.495 178.561 176.117 -0.086 0.000 1.078 365 I CA 1.156 62.381 61.300 -0.125 0.000 1.343 365 I CB -0.288 37.649 38.000 -0.104 0.000 1.046 365 I HN -0.006 nan 8.210 nan 0.000 0.405 366 V N 1.080 120.907 119.914 -0.144 0.000 2.287 366 V HA -0.328 3.836 4.120 0.073 0.000 0.248 366 V C 2.701 178.753 176.094 -0.069 0.000 1.053 366 V CA 2.101 64.355 62.300 -0.077 0.000 1.027 366 V CB -1.130 30.628 31.823 -0.108 0.000 0.646 366 V HN 0.515 nan 8.190 nan 0.000 0.447 367 A N -0.825 121.782 122.820 -0.355 0.000 1.902 367 A HA -0.292 4.072 4.320 0.073 0.000 0.217 367 A C 2.276 179.833 177.584 -0.045 0.000 1.181 367 A CA 1.993 53.738 52.037 -0.486 0.000 0.623 367 A CB -0.920 17.428 19.000 -1.087 0.000 0.818 367 A HN 0.716 nan 8.150 nan 0.000 0.443 368 H N 0.157 119.131 119.070 -0.161 0.000 2.321 368 H HA -0.088 4.512 4.556 0.072 0.000 0.300 368 H C 2.134 177.445 175.328 -0.029 0.000 1.087 368 H CA 1.853 57.847 56.048 -0.090 0.000 1.319 368 H CB -0.059 29.629 29.762 -0.123 0.000 1.379 368 H HN 0.427 nan 8.280 nan 0.000 0.501 369 S N 0.406 116.084 115.700 -0.037 0.000 2.400 369 S HA -0.089 4.424 4.470 0.073 0.000 0.232 369 S C 1.978 176.551 174.600 -0.046 0.000 1.025 369 S CA 0.951 59.123 58.200 -0.046 0.000 0.993 369 S CB -0.108 63.118 63.200 0.044 0.000 0.808 369 S HN 0.464 nan 8.310 nan 0.000 0.478 370 R N 0.162 120.682 120.500 0.034 0.000 2.310 370 R HA 0.175 4.559 4.340 0.073 0.000 0.202 370 R C 1.313 177.560 176.300 -0.088 0.000 0.933 370 R CA 0.484 56.628 56.100 0.073 0.000 1.054 370 R CB 0.066 30.528 30.300 0.270 0.000 0.985 370 R HN 0.453 nan 8.270 nan 0.000 0.489 371 G N 0.490 109.195 108.800 -0.160 0.000 2.141 371 G HA2 -0.270 3.734 3.960 0.073 0.000 0.231 371 G HA3 -0.270 3.734 3.960 0.073 0.000 0.231 371 G C -0.006 174.692 174.900 -0.336 0.000 0.984 371 G CA -0.502 44.440 45.100 -0.263 0.000 0.660 371 G HN 0.193 nan 8.290 nan 0.000 0.525 372 F N 0.879 120.704 119.950 -0.209 0.000 2.418 372 F HA 0.411 4.983 4.527 0.074 0.000 0.341 372 F C 1.421 177.078 175.800 -0.239 0.000 1.120 372 F CA -0.064 57.806 58.000 -0.217 0.000 1.232 372 F CB 0.742 39.586 39.000 -0.260 0.000 1.175 372 F HN -0.063 nan 8.300 nan 0.000 0.569 373 D N 0.618 120.961 120.400 -0.096 0.000 2.301 373 D HA 0.076 4.759 4.640 0.073 0.000 0.206 373 D C -0.083 176.052 176.300 -0.275 0.000 0.979 373 D CA 0.875 54.748 54.000 -0.212 0.000 0.874 373 D CB 0.937 41.555 40.800 -0.304 0.000 0.968 373 D HN 0.193 nan 8.370 nan 0.000 0.510 374 V N -0.204 119.538 119.914 -0.287 0.000 3.147 374 V HA 0.348 4.511 4.120 0.073 0.000 0.299 374 V C -1.817 174.075 176.094 -0.336 0.000 1.302 374 V CA -0.979 61.103 62.300 -0.363 0.000 1.015 374 V CB 2.445 33.945 31.823 -0.538 0.000 1.086 374 V HN 0.156 nan 8.190 nan 0.000 0.437 375 C N 5.903 125.002 119.300 -0.336 0.000 2.322 375 C HA 0.769 5.273 4.460 0.073 0.000 0.324 375 C C -0.428 174.498 174.990 -0.108 0.000 1.284 375 C CA -0.439 58.396 59.018 -0.305 0.000 1.606 375 C CB 0.064 27.610 27.740 -0.324 0.000 2.251 375 C HN 0.917 nan 8.230 nan 0.000 0.502 376 N N 5.194 123.776 118.700 -0.197 0.000 2.384 376 N HA 0.849 5.633 4.740 0.073 0.000 0.301 376 N C -0.599 174.990 175.510 0.132 0.000 1.133 376 N CA -0.283 52.743 53.050 -0.039 0.000 0.853 376 N CB 1.739 39.980 38.487 -0.410 0.000 1.241 376 N HN 0.927 nan 8.380 nan 0.000 0.502 377 M N -1.943 117.822 119.600 0.276 0.000 2.732 377 M HA 0.503 5.026 4.480 0.073 0.000 0.272 377 M C -1.778 174.602 176.300 0.134 0.000 1.203 377 M CA -0.926 54.517 55.300 0.237 0.000 0.841 377 M CB 1.191 33.864 32.600 0.120 0.000 1.685 377 M HN -0.019 nan 8.290 nan 0.000 0.492 378 V N 1.364 121.270 119.914 -0.014 0.000 2.713 378 V HA 0.276 4.439 4.120 0.073 0.000 0.307 378 V C 0.702 176.755 176.094 -0.069 0.000 1.052 378 V CA -0.354 61.849 62.300 -0.162 0.000 0.967 378 V CB 1.607 33.279 31.823 -0.252 0.000 1.019 378 V HN 0.986 nan 8.190 nan 0.000 0.459 379 E N 3.054 123.234 120.200 -0.033 0.000 2.441 379 E HA 0.055 4.449 4.350 0.073 0.000 0.210 379 E C 0.295 176.815 176.600 -0.133 0.000 1.306 379 E CA -0.029 56.286 56.400 -0.142 0.000 1.307 379 E CB -0.485 29.183 29.700 -0.054 0.000 1.297 379 E HN 0.720 nan 8.360 nan 0.000 0.440 380 I N -2.792 117.704 120.570 -0.123 0.000 3.468 380 I HA 0.328 4.541 4.170 0.073 0.000 0.299 380 I C 0.753 176.787 176.117 -0.137 0.000 1.141 380 I CA -1.216 59.991 61.300 -0.154 0.000 0.950 380 I CB 0.322 38.201 38.000 -0.201 0.000 1.522 380 I HN 0.090 nan 8.210 nan 0.000 0.699 381 L N -1.150 119.908 121.223 -0.274 0.000 6.780 381 L HA -0.295 4.089 4.340 0.073 0.000 0.053 381 L C 0.291 177.288 176.870 0.213 0.000 1.778 381 L CA 1.303 55.940 54.840 -0.338 0.000 1.657 381 L CB -1.136 40.745 42.059 -0.296 0.000 2.738 381 L HN 0.758 nan 8.230 nan 0.000 1.065 382 D N -0.030 120.620 120.400 0.416 0.000 2.587 382 D HA 0.098 4.781 4.640 0.073 0.000 0.233 382 D C 0.958 177.274 176.300 0.026 0.000 1.213 382 D CA 0.001 54.197 54.000 0.327 0.000 0.827 382 D CB -0.224 40.875 40.800 0.498 0.000 1.006 382 D HN 0.316 nan 8.370 nan 0.000 0.490 383 N N 0.770 119.391 118.700 -0.130 0.000 2.289 383 N HA -0.105 4.679 4.740 0.073 0.000 0.184 383 N C 1.719 176.545 175.510 -1.141 0.000 1.016 383 N CA 0.501 53.129 53.050 -0.703 0.000 0.872 383 N CB 0.116 38.351 38.487 -0.420 0.000 0.973 383 N HN 0.151 nan 8.380 nan 0.000 0.433 384 R N 0.666 120.773 120.500 -0.656 0.000 2.193 384 R HA -0.003 4.380 4.340 0.073 0.000 0.229 384 R C 1.986 177.971 176.300 -0.524 0.000 1.110 384 R CA 0.790 56.522 56.100 -0.613 0.000 0.988 384 R CB -0.833 29.260 30.300 -0.345 0.000 0.871 384 R HN 0.408 nan 8.270 nan 0.000 0.458 385 S N 0.366 115.809 115.700 -0.429 0.000 2.474 385 S HA -0.096 4.418 4.470 0.073 0.000 0.235 385 S C 1.328 175.866 174.600 -0.104 0.000 0.997 385 S CA 0.681 58.775 58.200 -0.178 0.000 0.949 385 S CB -0.325 62.876 63.200 0.001 0.000 0.766 385 S HN 0.439 nan 8.310 nan 0.000 0.517 386 F N -1.397 118.470 119.950 -0.139 0.000 2.729 386 F HA 0.611 5.180 4.527 0.070 0.000 0.315 386 F C 1.216 176.955 175.800 -0.102 0.000 1.102 386 F CA -1.031 56.910 58.000 -0.098 0.000 1.204 386 F CB -0.490 38.459 39.000 -0.084 0.000 1.052 386 F HN -0.060 nan 8.300 nan 0.000 0.551 387 V N 1.216 120.932 119.914 -0.330 0.000 2.255 387 V HA -0.292 3.871 4.120 0.073 0.000 0.247 387 V C 2.257 178.427 176.094 0.128 0.000 1.051 387 V CA 2.691 64.886 62.300 -0.174 0.000 1.018 387 V CB -0.417 31.150 31.823 -0.426 0.000 0.641 387 V HN 0.293 nan 8.190 nan 0.000 0.445 388 E N -0.465 119.762 120.200 0.046 0.000 2.046 388 E HA -0.198 4.196 4.350 0.073 0.000 0.190 388 E C 2.210 178.859 176.600 0.081 0.000 0.982 388 E CA 1.180 57.624 56.400 0.074 0.000 0.800 388 E CB -0.336 29.379 29.700 0.025 0.000 0.756 388 E HN 0.631 nan 8.360 nan 0.000 0.449 389 Q N 0.215 120.048 119.800 0.054 0.000 2.084 389 Q HA -0.094 4.290 4.340 0.073 0.000 0.202 389 Q C 1.491 177.539 176.000 0.080 0.000 0.978 389 Q CA 1.033 56.847 55.803 0.019 0.000 0.844 389 Q CB 0.051 28.742 28.738 -0.078 0.000 0.898 389 Q HN 0.289 nan 8.270 nan 0.000 0.426 390 L N 0.189 121.529 121.223 0.195 0.000 2.611 390 L HA 0.124 4.508 4.340 0.073 0.000 0.229 390 L C 0.096 177.085 176.870 0.198 0.000 1.137 390 L CA 0.188 55.159 54.840 0.217 0.000 0.901 390 L CB 0.073 42.351 42.059 0.366 0.000 1.098 390 L HN 0.196 nan 8.230 nan 0.000 0.456 391 K N -0.554 119.975 120.400 0.215 0.000 3.192 391 K HA -0.192 4.172 4.320 0.073 0.000 0.278 391 K C -0.206 176.541 176.600 0.244 0.000 1.164 391 K CA 0.342 56.747 56.287 0.198 0.000 0.816 391 K CB -1.952 30.629 32.500 0.135 0.000 1.256 391 K HN 0.097 nan 8.250 nan 0.000 0.497 392 F N 0.770 120.834 119.950 0.190 0.000 2.450 392 F HA 0.365 4.936 4.527 0.073 0.000 0.339 392 F C 1.579 177.553 175.800 0.291 0.000 1.146 392 F CA 0.637 58.777 58.000 0.233 0.000 1.267 392 F CB 0.995 40.121 39.000 0.209 0.000 1.178 392 F HN 0.092 nan 8.300 nan 0.000 0.585 393 G N 0.517 109.613 108.800 0.493 0.000 2.591 393 G HA2 0.602 4.605 3.960 0.073 0.000 0.306 393 G HA3 0.602 4.605 3.960 0.073 0.000 0.306 393 G C -1.426 173.577 174.900 0.171 0.000 1.334 393 G CA -0.908 44.397 45.100 0.343 0.000 0.981 393 G HN 0.871 nan 8.290 nan 0.000 0.491 394 A N 0.517 123.231 122.820 -0.176 0.000 2.511 394 A HA 0.657 5.021 4.320 0.073 0.000 0.242 394 A C 1.067 178.490 177.584 -0.268 0.000 1.069 394 A CA 0.649 52.224 52.037 -0.771 0.000 0.763 394 A CB 0.295 18.873 19.000 -0.703 0.000 1.001 394 A HN 1.356 nan 8.150 nan 0.000 0.498 395 G N 0.367 109.044 108.800 -0.206 0.000 2.568 395 G HA2 0.435 4.439 3.960 0.073 0.000 0.293 395 G HA3 0.435 4.439 3.960 0.073 0.000 0.293 395 G C 0.122 174.973 174.900 -0.082 0.000 1.347 395 G CA 0.245 45.375 45.100 0.051 0.000 1.039 395 G HN 0.724 nan 8.290 nan 0.000 0.523 396 D N -1.535 118.836 120.400 -0.048 0.000 2.348 396 D HA 0.187 4.870 4.640 0.073 0.000 0.211 396 D C 1.288 177.592 176.300 0.005 0.000 0.998 396 D CA 0.248 54.229 54.000 -0.032 0.000 0.873 396 D CB 0.040 40.827 40.800 -0.022 0.000 0.925 396 D HN 0.520 nan 8.370 nan 0.000 0.524 397 G N -0.808 108.008 108.800 0.027 0.000 2.476 397 G HA2 0.420 4.423 3.960 0.073 0.000 0.269 397 G HA3 0.420 4.423 3.960 0.073 0.000 0.269 397 G C -0.710 174.218 174.900 0.046 0.000 1.195 397 G CA -0.523 44.666 45.100 0.149 0.000 0.843 397 G HN 0.230 nan 8.290 nan 0.000 0.545 398 H N 0.169 119.404 119.070 0.275 0.000 2.679 398 H HA 0.318 4.917 4.556 0.072 0.000 0.360 398 H C -1.228 174.209 175.328 0.181 0.000 1.105 398 H CA -0.620 55.528 56.048 0.166 0.000 1.196 398 H CB 2.587 32.393 29.762 0.073 0.000 1.636 398 H HN 0.306 nan 8.280 nan 0.000 0.531 399 L N 3.159 124.457 121.223 0.126 0.000 2.287 399 L HA 0.364 4.748 4.340 0.073 0.000 0.287 399 L C -0.293 176.571 176.870 -0.009 0.000 1.022 399 L CA -0.367 54.508 54.840 0.058 0.000 0.814 399 L CB 0.707 42.706 42.059 -0.100 0.000 1.217 399 L HN 0.449 nan 8.230 nan 0.000 0.420 400 R N 3.638 124.091 120.500 -0.078 0.000 2.407 400 R HA 0.486 4.869 4.340 0.073 0.000 0.303 400 R C -1.467 174.477 176.300 -0.593 0.000 0.981 400 R CA -0.206 55.714 56.100 -0.299 0.000 0.905 400 R CB 1.025 31.136 30.300 -0.314 0.000 1.099 400 R HN 0.407 nan 8.270 nan 0.000 0.459 401 Y N 2.495 122.248 120.300 -0.911 0.000 2.331 401 Y HA 0.384 4.976 4.550 0.070 0.000 0.338 401 Y C -0.672 174.342 175.900 -1.477 0.000 0.992 401 Y CA -0.211 57.254 58.100 -1.058 0.000 1.121 401 Y CB 1.105 38.837 38.460 -1.213 0.000 1.184 401 Y HN 0.472 nan 8.280 nan 0.000 0.469 402 Y N 2.542 122.381 120.300 -0.767 0.000 2.499 402 Y HA 0.579 5.172 4.550 0.072 0.000 0.347 402 Y C -1.064 174.509 175.900 -0.545 0.000 0.987 402 Y CA -1.362 56.304 58.100 -0.725 0.000 1.044 402 Y CB 1.434 39.051 38.460 -1.405 0.000 1.245 402 Y HN 0.352 nan 8.280 nan 0.000 0.461 403 F N 0.928 121.031 119.950 0.254 0.000 2.507 403 F HA 0.391 4.959 4.527 0.068 0.000 0.327 403 F C -0.663 175.397 175.800 0.433 0.000 1.068 403 F CA -1.526 56.636 58.000 0.270 0.000 0.965 403 F CB 1.048 40.193 39.000 0.243 0.000 1.192 403 F HN 0.380 nan 8.300 nan 0.000 0.476 404 Y N 2.557 123.248 120.300 0.653 0.000 2.328 404 Y HA 0.281 4.874 4.550 0.071 0.000 0.337 404 Y C 0.642 176.777 175.900 0.391 0.000 1.008 404 Y CA -0.813 57.602 58.100 0.526 0.000 1.129 404 Y CB 0.612 39.339 38.460 0.445 0.000 1.185 404 Y HN 0.728 nan 8.280 nan 0.000 0.476 405 N N 4.282 122.956 118.700 -0.043 0.000 2.740 405 N HA -0.251 4.533 4.740 0.073 0.000 0.248 405 N C -1.842 173.851 175.510 0.305 0.000 1.062 405 N CA 1.181 54.268 53.050 0.063 0.000 0.704 405 N CB -1.079 37.490 38.487 0.136 0.000 0.968 405 N HN 0.780 nan 8.380 nan 0.000 0.547 406 W N 0.143 121.452 121.300 0.015 0.000 3.036 406 W HA 0.623 5.331 4.660 0.080 0.000 0.337 406 W C -0.788 175.760 176.519 0.047 0.000 1.055 406 W CA -0.490 56.812 57.345 -0.073 0.000 1.248 406 W CB 1.207 30.461 29.460 -0.344 0.000 1.335 406 W HN 0.242 nan 8.180 nan 0.000 0.446 407 A N 4.968 127.645 122.820 -0.237 0.000 2.409 407 A HA 0.428 4.792 4.320 0.073 0.000 0.267 407 A C -2.020 175.495 177.584 -0.114 0.000 1.127 407 A CA 0.312 52.267 52.037 -0.137 0.000 0.795 407 A CB 0.483 19.358 19.000 -0.208 0.000 1.061 407 A HN 0.576 nan 8.150 nan 0.000 0.502 408 Y N 3.121 123.403 120.300 -0.030 0.000 2.441 408 Y HA 0.478 5.072 4.550 0.073 0.000 0.334 408 Y C -2.643 173.300 175.900 0.072 0.000 1.061 408 Y CA -2.034 56.083 58.100 0.029 0.000 1.032 408 Y CB 2.289 40.879 38.460 0.217 0.000 1.266 408 Y HN 0.534 nan 8.280 nan 0.000 0.441 409 P HA 0.063 nan 4.420 nan 0.000 0.269 409 P C -1.232 176.152 177.300 0.141 0.000 1.209 409 P CA -0.284 62.730 63.100 -0.144 0.000 0.776 409 P CB 0.596 32.096 31.700 -0.332 0.000 0.876 410 K N 3.573 124.099 120.400 0.210 0.000 2.484 410 K HA 0.153 4.517 4.320 0.073 0.000 0.280 410 K C -0.114 176.660 176.600 0.291 0.000 1.013 410 K CA 0.405 56.839 56.287 0.244 0.000 1.029 410 K CB -0.723 31.856 32.500 0.131 0.000 0.902 410 K HN 0.423 nan 8.250 nan 0.000 0.481 411 I N -0.294 120.458 120.570 0.302 0.000 2.846 411 I HA 0.469 4.682 4.170 0.073 0.000 0.307 411 I C -0.510 175.659 176.117 0.086 0.000 1.053 411 I CA -1.361 60.082 61.300 0.239 0.000 1.050 411 I CB 1.963 40.186 38.000 0.371 0.000 1.239 411 I HN 0.363 nan 8.210 nan 0.000 0.439 412 K N 3.251 123.665 120.400 0.023 0.000 2.380 412 K HA 0.185 4.548 4.320 0.073 0.000 0.267 412 K C -1.618 174.969 176.600 -0.022 0.000 0.990 412 K CA -1.045 55.233 56.287 -0.016 0.000 0.946 412 K CB 0.489 32.971 32.500 -0.030 0.000 0.937 412 K HN 0.494 nan 8.250 nan 0.000 0.491 413 P HA -0.131 nan 4.420 nan 0.000 0.223 413 P C 0.565 177.819 177.300 -0.076 0.000 1.151 413 P CA 1.100 64.130 63.100 -0.117 0.000 0.787 413 P CB 0.124 31.762 31.700 -0.104 0.000 0.788 414 S N -1.330 114.365 115.700 -0.007 0.000 2.603 414 S HA 0.006 4.520 4.470 0.073 0.000 0.229 414 S C 1.518 176.253 174.600 0.224 0.000 0.972 414 S CA 0.341 58.590 58.200 0.083 0.000 0.935 414 S CB -0.613 62.619 63.200 0.054 0.000 0.769 414 S HN 0.077 nan 8.310 nan 0.000 0.536 415 Q N 0.714 120.612 119.800 0.163 0.000 2.219 415 Q HA 0.370 4.754 4.340 0.073 0.000 0.209 415 Q C -0.518 175.616 176.000 0.223 0.000 0.854 415 Q CA 0.051 56.010 55.803 0.260 0.000 0.960 415 Q CB 1.055 29.900 28.738 0.178 0.000 1.116 415 Q HN 0.416 nan 8.270 nan 0.000 0.500 416 V N 0.898 120.819 119.914 0.013 0.000 2.398 416 V HA 0.510 4.674 4.120 0.073 0.000 0.286 416 V C 0.428 176.288 176.094 -0.390 0.000 1.026 416 V CA -0.097 62.080 62.300 -0.206 0.000 0.868 416 V CB 1.530 33.047 31.823 -0.510 0.000 0.982 416 V HN 0.150 nan 8.190 nan 0.000 0.443 417 A N 4.768 127.366 122.820 -0.369 0.000 2.571 417 A HA 0.445 4.808 4.320 0.073 0.000 0.274 417 A C 0.015 177.511 177.584 -0.147 0.000 1.196 417 A CA -0.091 51.633 52.037 -0.521 0.000 0.957 417 A CB 0.133 18.745 19.000 -0.647 0.000 1.150 417 A HN 0.639 nan 8.150 nan 0.000 0.539 418 L N 1.604 122.787 121.223 -0.066 0.000 2.255 418 L HA 0.471 4.854 4.340 0.073 0.000 0.289 418 L C -0.505 176.458 176.870 0.155 0.000 1.046 418 L CA -0.188 54.724 54.840 0.119 0.000 0.816 418 L CB 1.067 43.215 42.059 0.148 0.000 1.197 418 L HN 0.021 nan 8.230 nan 0.000 0.427 419 V N 6.504 126.470 119.914 0.086 0.000 2.555 419 V HA 0.312 4.476 4.120 0.073 0.000 0.286 419 V C 0.470 176.656 176.094 0.154 0.000 1.044 419 V CA -0.206 62.123 62.300 0.048 0.000 1.026 419 V CB 1.051 32.754 31.823 -0.200 0.000 0.981 419 V HN 0.670 nan 8.190 nan 0.000 0.480 420 M N 5.832 125.523 119.600 0.152 0.000 2.243 420 M HA 0.496 5.020 4.480 0.073 0.000 0.324 420 M C -0.404 175.938 176.300 0.071 0.000 1.031 420 M CA -0.287 55.051 55.300 0.063 0.000 0.949 420 M CB 1.552 34.117 32.600 -0.058 0.000 1.615 420 M HN 0.437 nan 8.290 nan 0.000 0.430 421 L N 0.000 121.219 121.223 -0.007 0.000 2.949 421 L HA 0.000 4.384 4.340 0.073 0.000 0.249 421 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 421 L CB 0.000 42.100 42.059 0.068 0.000 0.961 421 L HN 0.000 nan 8.230 nan 0.000 0.502