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 1uuq_1_A DATA FIRST_RESID 22 DATA SEQUENCE EHFVRVNGGH FELQGKPYVI TGVNMWYAAY LGAPNEVGDR DRLAKELDNL DATA SEQUENCE KAIGVNNLRV LAVSEKSEIN SAVKPAVTNG FGNYDETLLQ GLDYLLVELA DATA SEQUENCE KRDMTVVLYF NNFWQWSGGM TQYMAWIEGE PVQDPNVTNE WEAFMAKSAS DATA SEQUENCE FYRSEKAQQE YRKTLEKIIT RVNSINGKAY VDDATIMSWQ LANEPRPGNS DATA SEQUENCE QTTAEEKQIY IDWVHAAAAY IKTLDAHHLV SSGSEGEMGS VNDMQVFIDA DATA SEQUENCE HATPDIDYLT YHMWIRNWSW FDKTKPAETW PSAWEKAQNY MRAHIDVAKQ DATA SEQUENCE LNKPLVLEEF GLDRDMGSYA MDSTTEYRDN YFRGVFELML ASLEQGEPSA DATA SEQUENCE GYNIWAWNGY GRTTRANYWW QEGDDFMGDP PQEEQGMYGV FDTDTSTIAI DATA SEQUENCE MKEFNARFQP 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.361 176.600 -0.399 0.000 1.382 22 E CA 0.000 56.133 56.400 -0.444 0.000 0.976 22 E CB 0.000 29.306 29.700 -0.657 0.000 0.812 23 H N 0.654 119.619 119.070 -0.175 0.000 2.741 23 H HA 0.605 5.161 4.556 -0.000 0.000 0.282 23 H C -0.905 174.317 175.328 -0.176 0.000 1.122 23 H CA -1.109 54.882 56.048 -0.096 0.000 1.293 23 H CB -0.707 28.999 29.762 -0.093 0.000 1.415 23 H HN 0.287 nan 8.280 nan 0.000 0.472 24 F N 1.157 121.071 119.950 -0.060 0.000 2.418 24 F HA 0.071 4.598 4.527 -0.000 0.000 0.341 24 F C 0.953 176.673 175.800 -0.133 0.000 1.120 24 F CA -0.613 57.313 58.000 -0.123 0.000 1.232 24 F CB 0.691 39.599 39.000 -0.153 0.000 1.175 24 F HN 0.147 nan 8.300 nan 0.000 0.569 25 V N 4.221 124.116 119.914 -0.031 0.000 2.529 25 V HA 0.174 4.294 4.120 -0.000 0.000 0.292 25 V C 0.279 176.408 176.094 0.058 0.000 1.028 25 V CA -0.081 62.138 62.300 -0.135 0.000 1.074 25 V CB 0.076 31.701 31.823 -0.330 0.000 0.958 25 V HN 0.667 nan 8.190 nan 0.000 0.481 26 R N 2.938 123.499 120.500 0.101 0.000 2.919 26 R HA 0.806 5.146 4.340 -0.000 0.000 0.260 26 R C -1.423 175.011 176.300 0.223 0.000 1.067 26 R CA -0.891 55.296 56.100 0.145 0.000 1.003 26 R CB 2.312 32.668 30.300 0.094 0.000 1.192 26 R HN 0.470 nan 8.270 nan 0.000 0.488 27 V N 1.542 121.552 119.914 0.159 0.000 2.513 27 V HA 0.343 4.463 4.120 -0.000 0.000 0.299 27 V C -0.804 175.251 176.094 -0.065 0.000 1.035 27 V CA -0.741 61.598 62.300 0.065 0.000 0.889 27 V CB 1.642 33.518 31.823 0.089 0.000 0.988 27 V HN 0.652 nan 8.190 nan 0.000 0.440 28 N N 3.186 121.734 118.700 -0.254 0.000 2.577 28 N HA 0.564 5.304 4.740 -0.000 0.000 0.275 28 N C 0.281 175.526 175.510 -0.441 0.000 1.091 28 N CA 0.878 53.745 53.050 -0.305 0.000 0.843 28 N CB 1.510 39.832 38.487 -0.275 0.000 1.295 28 N HN 0.988 nan 8.380 nan 0.000 0.530 29 G N 3.003 111.678 108.800 -0.209 0.000 2.591 29 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.298 29 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.298 29 G C 0.773 175.579 174.900 -0.156 0.000 1.195 29 G CA 0.234 45.251 45.100 -0.139 0.000 0.989 29 G HN 0.901 nan 8.290 nan 0.000 0.551 30 G N 1.185 109.935 108.800 -0.084 0.000 3.181 30 G HA2 0.468 4.428 3.960 -0.000 0.000 0.219 30 G HA3 0.468 4.428 3.960 -0.000 0.000 0.219 30 G C 0.555 175.422 174.900 -0.056 0.000 1.182 30 G CA 1.273 46.344 45.100 -0.049 0.000 0.791 30 G HN 1.381 nan 8.290 nan 0.000 0.537 31 H N -1.886 117.096 119.070 -0.147 0.000 2.946 31 H HA 0.551 5.107 4.556 -0.000 0.000 0.365 31 H C -1.509 173.691 175.328 -0.213 0.000 1.197 31 H CA -1.357 54.581 56.048 -0.183 0.000 1.131 31 H CB 0.847 30.592 29.762 -0.028 0.000 1.849 31 H HN -0.158 nan 8.280 nan 0.000 0.555 32 F N 0.492 120.563 119.950 0.202 0.000 2.371 32 F HA 0.378 4.904 4.527 -0.000 0.000 0.329 32 F C 0.697 176.662 175.800 0.274 0.000 1.107 32 F CA -0.300 57.797 58.000 0.161 0.000 1.137 32 F CB 1.069 40.189 39.000 0.200 0.000 1.214 32 F HN 0.472 nan 8.300 nan 0.000 0.536 33 E N 1.521 121.941 120.200 0.367 0.000 2.288 33 E HA 0.593 4.943 4.350 -0.000 0.000 0.268 33 E C -1.767 174.898 176.600 0.110 0.000 0.885 33 E CA -1.118 55.437 56.400 0.258 0.000 0.767 33 E CB 2.977 32.793 29.700 0.193 0.000 1.220 33 E HN 0.343 nan 8.360 nan 0.000 0.427 34 L N 2.398 123.654 121.223 0.055 0.000 2.404 34 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 34 L C -0.533 176.311 176.870 -0.044 0.000 0.980 34 L CA 0.136 54.931 54.840 -0.076 0.000 0.836 34 L CB 1.132 43.045 42.059 -0.244 0.000 1.238 34 L HN 0.620 nan 8.230 nan 0.000 0.408 35 Q N 4.215 123.971 119.800 -0.073 0.000 2.453 35 Q HA -0.239 4.101 4.340 -0.000 0.000 0.294 35 Q C 1.049 177.013 176.000 -0.061 0.000 1.295 35 Q CA 0.952 56.670 55.803 -0.141 0.000 0.853 35 Q CB -1.580 26.992 28.738 -0.275 0.000 1.193 35 Q HN 1.373 nan 8.270 nan 0.000 0.461 36 G N -0.685 108.114 108.800 -0.001 0.000 2.189 36 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 36 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 36 G C 0.062 174.994 174.900 0.052 0.000 0.975 36 G CA 0.932 46.050 45.100 0.031 0.000 0.644 36 G HN 0.257 nan 8.290 nan 0.000 0.537 37 K N 0.446 120.878 120.400 0.054 0.000 2.208 37 K HA 0.490 4.810 4.320 -0.000 0.000 0.247 37 K C -2.753 173.921 176.600 0.123 0.000 0.953 37 K CA -2.111 54.215 56.287 0.064 0.000 0.837 37 K CB 1.994 34.517 32.500 0.038 0.000 1.131 37 K HN -0.073 nan 8.250 nan 0.000 0.431 38 P HA -0.027 nan 4.420 nan 0.000 0.266 38 P C -1.230 176.212 177.300 0.237 0.000 1.195 38 P CA 0.247 63.433 63.100 0.144 0.000 0.768 38 P CB 0.175 31.874 31.700 -0.002 0.000 0.838 39 Y N 3.057 123.453 120.300 0.161 0.000 2.338 39 Y HA 0.500 5.050 4.550 -0.000 0.000 0.333 39 Y C -1.264 174.755 175.900 0.199 0.000 0.968 39 Y CA -0.792 57.387 58.100 0.132 0.000 1.123 39 Y CB 1.398 39.923 38.460 0.109 0.000 1.165 39 Y HN 0.068 nan 8.280 nan 0.000 0.452 40 V N 7.079 126.868 119.914 -0.208 0.000 2.540 40 V HA 0.383 4.503 4.120 -0.000 0.000 0.302 40 V C -0.445 175.428 176.094 -0.369 0.000 1.035 40 V CA -0.987 61.261 62.300 -0.087 0.000 0.873 40 V CB 1.730 33.598 31.823 0.075 0.000 0.992 40 V HN 0.546 nan 8.190 nan 0.000 0.428 41 I N 4.415 124.838 120.570 -0.245 0.000 2.379 41 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 41 I C 0.720 176.550 176.117 -0.479 0.000 1.063 41 I CA 0.319 61.394 61.300 -0.376 0.000 1.351 41 I CB 0.687 38.544 38.000 -0.239 0.000 1.410 41 I HN 0.789 nan 8.210 nan 0.000 0.505 42 T N 2.539 116.761 114.554 -0.553 0.000 3.150 42 T HA 0.737 5.087 4.350 -0.000 0.000 0.383 42 T C 0.055 174.327 174.700 -0.713 0.000 1.313 42 T CA -0.683 60.976 62.100 -0.734 0.000 1.235 42 T CB 0.865 69.525 68.868 -0.348 0.000 1.088 42 T HN 0.752 nan 8.240 nan 0.000 0.556 43 G N 1.172 109.388 108.800 -0.975 0.000 2.816 43 G HA2 0.833 4.793 3.960 -0.000 0.000 0.288 43 G HA3 0.833 4.793 3.960 -0.000 0.000 0.288 43 G C -0.785 173.893 174.900 -0.371 0.000 1.334 43 G CA -0.593 44.187 45.100 -0.534 0.000 0.978 43 G HN 1.310 nan 8.290 nan 0.000 0.493 44 V N -2.491 117.278 119.914 -0.242 0.000 3.078 44 V HA 0.638 4.758 4.120 -0.000 0.000 0.311 44 V C -0.836 175.201 176.094 -0.095 0.000 1.138 44 V CA -1.478 60.739 62.300 -0.139 0.000 1.007 44 V CB 2.052 33.773 31.823 -0.171 0.000 1.045 44 V HN 0.625 nan 8.190 nan 0.000 0.432 45 N N 2.738 121.396 118.700 -0.071 0.000 2.455 45 N HA 0.518 5.258 4.740 -0.000 0.000 0.280 45 N C -0.886 174.502 175.510 -0.202 0.000 1.055 45 N CA -0.165 52.825 53.050 -0.100 0.000 0.961 45 N CB 1.631 40.005 38.487 -0.189 0.000 1.121 45 N HN 0.907 nan 8.380 nan 0.000 0.476 46 M N 4.091 123.578 119.600 -0.188 0.000 2.151 46 M HA 0.111 4.591 4.480 -0.000 0.000 0.229 46 M C 0.544 176.575 176.300 -0.449 0.000 1.029 46 M CA -0.759 54.294 55.300 -0.411 0.000 0.765 46 M CB 0.356 32.678 32.600 -0.465 0.000 1.969 46 M HN 0.656 nan 8.290 nan 0.000 0.352 47 W N 2.184 123.390 121.300 -0.157 0.000 2.350 47 W HA -0.222 4.438 4.660 -0.000 0.000 0.289 47 W C 0.445 176.974 176.519 0.016 0.000 1.215 47 W CA 1.529 58.922 57.345 0.080 0.000 1.236 47 W CB -1.268 28.387 29.460 0.324 0.000 1.130 47 W HN 0.799 nan 8.180 nan 0.000 0.541 48 Y N -0.447 119.196 120.300 -1.095 0.000 2.461 48 Y HA 0.651 5.201 4.550 -0.000 0.000 0.277 48 Y C 2.227 177.833 175.900 -0.490 0.000 1.182 48 Y CA -0.011 57.308 58.100 -1.302 0.000 1.276 48 Y CB -1.288 35.945 38.460 -2.044 0.000 1.087 48 Y HN -0.084 nan 8.280 nan 0.000 0.519 49 A N 1.380 123.819 122.820 -0.634 0.000 1.933 49 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 49 A C 2.411 179.928 177.584 -0.112 0.000 1.175 49 A CA 1.795 53.604 52.037 -0.380 0.000 0.628 49 A CB -1.041 17.753 19.000 -0.344 0.000 0.814 49 A HN 0.637 nan 8.150 nan 0.000 0.444 50 A N -1.767 121.011 122.820 -0.070 0.000 1.929 50 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 50 A C 2.022 179.613 177.584 0.011 0.000 1.176 50 A CA 1.213 53.247 52.037 -0.006 0.000 0.628 50 A CB -0.728 18.264 19.000 -0.014 0.000 0.816 50 A HN 0.538 nan 8.150 nan 0.000 0.444 51 Y N -0.741 119.507 120.300 -0.087 0.000 2.165 51 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 51 Y C 2.182 178.127 175.900 0.074 0.000 1.155 51 Y CA 1.634 59.693 58.100 -0.068 0.000 1.164 51 Y CB -0.280 37.912 38.460 -0.446 0.000 0.978 51 Y HN 0.279 nan 8.280 nan 0.000 0.513 52 L N -0.625 120.742 121.223 0.240 0.000 2.191 52 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 52 L C 2.368 179.342 176.870 0.174 0.000 1.103 52 L CA 1.850 56.852 54.840 0.271 0.000 0.769 52 L CB -1.048 41.172 42.059 0.269 0.000 0.908 52 L HN 0.212 nan 8.230 nan 0.000 0.438 53 G N -1.397 107.489 108.800 0.144 0.000 2.744 53 G HA2 0.145 4.105 3.960 -0.000 0.000 0.211 53 G HA3 0.145 4.105 3.960 -0.000 0.000 0.211 53 G C 0.745 175.632 174.900 -0.022 0.000 1.143 53 G CA 0.347 45.518 45.100 0.119 0.000 0.788 53 G HN 0.495 nan 8.290 nan 0.000 0.534 54 A N 1.315 124.154 122.820 0.031 0.000 2.498 54 A HA 0.446 4.766 4.320 -0.000 0.000 0.239 54 A C -0.472 177.091 177.584 -0.036 0.000 1.068 54 A CA -0.738 51.308 52.037 0.015 0.000 0.766 54 A CB 0.763 19.805 19.000 0.071 0.000 1.003 54 A HN 0.162 nan 8.150 nan 0.000 0.497 55 P HA -0.035 nan 4.420 nan 0.000 0.241 55 P C -0.053 177.238 177.300 -0.015 0.000 1.191 55 P CA 0.540 63.602 63.100 -0.065 0.000 0.771 55 P CB -0.047 31.627 31.700 -0.044 0.000 0.929 56 N N 0.593 119.307 118.700 0.023 0.000 2.717 56 N HA -0.012 4.728 4.740 -0.000 0.000 0.314 56 N C 1.210 176.757 175.510 0.062 0.000 1.324 56 N CA -0.396 52.680 53.050 0.043 0.000 0.902 56 N CB -0.279 38.243 38.487 0.059 0.000 1.126 56 N HN -0.172 nan 8.380 nan 0.000 0.579 57 E N -0.359 119.884 120.200 0.071 0.000 2.338 57 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 57 E C 1.291 177.959 176.600 0.113 0.000 1.007 57 E CA 0.766 57.210 56.400 0.073 0.000 0.849 57 E CB -0.635 29.101 29.700 0.060 0.000 0.774 57 E HN 0.352 nan 8.360 nan 0.000 0.506 58 V N 1.285 121.302 119.914 0.171 0.000 2.548 58 V HA 0.004 4.124 4.120 -0.000 0.000 0.249 58 V C 1.659 177.953 176.094 0.335 0.000 1.055 58 V CA 1.259 63.736 62.300 0.295 0.000 1.065 58 V CB -0.738 31.317 31.823 0.385 0.000 0.681 58 V HN 0.347 nan 8.190 nan 0.000 0.462 59 G N -0.450 108.482 108.800 0.220 0.000 2.616 59 G HA2 0.365 4.325 3.960 -0.000 0.000 0.268 59 G HA3 0.365 4.325 3.960 -0.000 0.000 0.268 59 G C -0.857 174.133 174.900 0.150 0.000 1.213 59 G CA 0.051 45.268 45.100 0.194 0.000 0.926 59 G HN 0.275 nan 8.290 nan 0.000 0.523 60 D N -0.963 119.525 120.400 0.146 0.000 2.586 60 D HA 0.157 4.797 4.640 -0.000 0.000 0.254 60 D C 1.371 177.733 176.300 0.104 0.000 1.248 60 D CA -0.518 53.550 54.000 0.113 0.000 0.843 60 D CB 0.475 41.359 40.800 0.140 0.000 1.332 60 D HN 0.336 nan 8.370 nan 0.000 0.523 61 R N 0.569 121.089 120.500 0.033 0.000 2.115 61 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 61 R C 1.195 177.566 176.300 0.118 0.000 1.111 61 R CA 1.209 57.328 56.100 0.031 0.000 0.976 61 R CB 0.171 30.348 30.300 -0.205 0.000 0.870 61 R HN 0.277 nan 8.270 nan 0.000 0.445 62 D N 0.491 120.939 120.400 0.081 0.000 2.097 62 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 62 D C 2.008 178.369 176.300 0.103 0.000 0.989 62 D CA 1.186 55.236 54.000 0.082 0.000 0.827 62 D CB 0.098 40.926 40.800 0.047 0.000 0.966 62 D HN 0.038 nan 8.370 nan 0.000 0.456 63 R N -0.340 120.231 120.500 0.118 0.000 2.081 63 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 63 R C 2.273 178.707 176.300 0.223 0.000 1.131 63 R CA 1.065 57.268 56.100 0.172 0.000 0.960 63 R CB -0.467 29.949 30.300 0.193 0.000 0.856 63 R HN 0.264 nan 8.270 nan 0.000 0.436 64 L N 0.883 122.230 121.223 0.206 0.000 2.012 64 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 64 L C 2.309 179.280 176.870 0.169 0.000 1.073 64 L CA 2.280 57.240 54.840 0.199 0.000 0.748 64 L CB -0.820 41.368 42.059 0.214 0.000 0.891 64 L HN 0.274 nan 8.230 nan 0.000 0.431 65 A N -0.670 122.250 122.820 0.167 0.000 1.902 65 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 65 A C 2.330 179.989 177.584 0.125 0.000 1.181 65 A CA 2.082 54.190 52.037 0.119 0.000 0.623 65 A CB -0.549 18.518 19.000 0.113 0.000 0.818 65 A HN 0.538 nan 8.150 nan 0.000 0.443 66 K N -0.460 120.037 120.400 0.162 0.000 2.097 66 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 66 K C 1.985 178.813 176.600 0.380 0.000 1.049 66 K CA 1.327 57.746 56.287 0.220 0.000 0.933 66 K CB -0.122 32.455 32.500 0.128 0.000 0.717 66 K HN 0.443 nan 8.250 nan 0.000 0.442 67 E N 1.047 121.472 120.200 0.374 0.000 2.051 67 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 67 E C 2.148 178.811 176.600 0.106 0.000 0.991 67 E CA 1.067 57.654 56.400 0.312 0.000 0.799 67 E CB -0.210 29.675 29.700 0.308 0.000 0.748 67 E HN 0.311 nan 8.360 nan 0.000 0.449 68 L N 1.239 122.494 121.223 0.054 0.000 2.083 68 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 68 L C 2.075 178.925 176.870 -0.033 0.000 1.083 68 L CA 0.959 55.774 54.840 -0.041 0.000 0.752 68 L CB -0.433 41.600 42.059 -0.043 0.000 0.899 68 L HN -0.010 nan 8.230 nan 0.000 0.433 69 D N -0.040 120.380 120.400 0.032 0.000 2.117 69 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 69 D C 1.938 178.257 176.300 0.032 0.000 0.987 69 D CA 1.220 55.241 54.000 0.034 0.000 0.829 69 D CB -0.265 40.578 40.800 0.072 0.000 0.961 69 D HN 0.212 nan 8.370 nan 0.000 0.460 70 N N 0.291 119.039 118.700 0.081 0.000 2.106 70 N HA -0.061 4.678 4.740 -0.000 0.000 0.188 70 N C 1.955 177.416 175.510 -0.082 0.000 1.029 70 N CA 0.609 53.701 53.050 0.069 0.000 0.848 70 N CB -0.307 38.282 38.487 0.169 0.000 1.007 70 N HN 0.116 nan 8.380 nan 0.000 0.423 71 L N 0.129 121.222 121.223 -0.217 0.000 2.042 71 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 71 L C 2.361 179.086 176.870 -0.242 0.000 1.076 71 L CA 1.267 55.868 54.840 -0.398 0.000 0.749 71 L CB -0.448 41.295 42.059 -0.526 0.000 0.893 71 L HN 0.175 nan 8.230 nan 0.000 0.432 72 K N 0.621 120.927 120.400 -0.158 0.000 2.057 72 K HA -0.135 4.184 4.320 -0.000 0.000 0.207 72 K C 1.981 178.531 176.600 -0.083 0.000 1.049 72 K CA 1.571 57.790 56.287 -0.114 0.000 0.931 72 K CB -0.341 32.111 32.500 -0.080 0.000 0.714 72 K HN 0.232 nan 8.250 nan 0.000 0.440 73 A N 0.332 123.117 122.820 -0.058 0.000 2.015 73 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 73 A C 1.642 179.205 177.584 -0.036 0.000 1.163 73 A CA 1.215 53.234 52.037 -0.029 0.000 0.646 73 A CB -0.434 18.568 19.000 0.004 0.000 0.806 73 A HN 0.303 nan 8.150 nan 0.000 0.448 74 I N -0.908 119.622 120.570 -0.067 0.000 3.684 74 I HA 0.119 4.288 4.170 -0.000 0.000 0.304 74 I C 1.727 177.797 176.117 -0.079 0.000 1.278 74 I CA 0.836 62.097 61.300 -0.065 0.000 1.272 74 I CB -1.275 36.662 38.000 -0.104 0.000 1.029 74 I HN 0.497 nan 8.210 nan 0.000 0.458 75 G N 0.770 109.514 108.800 -0.094 0.000 2.141 75 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.242 75 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.242 75 G C 0.364 175.179 174.900 -0.142 0.000 0.982 75 G CA 0.110 45.153 45.100 -0.095 0.000 0.662 75 G HN 0.165 nan 8.290 nan 0.000 0.527 76 V N 1.923 121.724 119.914 -0.190 0.000 2.508 76 V HA 0.335 4.455 4.120 -0.000 0.000 0.281 76 V C 1.228 177.191 176.094 -0.217 0.000 1.041 76 V CA 0.496 62.647 62.300 -0.247 0.000 1.016 76 V CB 1.325 32.951 31.823 -0.329 0.000 0.984 76 V HN 0.615 nan 8.190 nan 0.000 0.478 77 N N 3.249 121.810 118.700 -0.231 0.000 2.184 77 N HA 0.063 4.803 4.740 -0.000 0.000 0.206 77 N C 0.046 175.463 175.510 -0.156 0.000 1.151 77 N CA -0.085 52.860 53.050 -0.175 0.000 0.878 77 N CB 0.377 38.755 38.487 -0.182 0.000 1.014 77 N HN 0.651 nan 8.380 nan 0.000 0.512 78 N N 0.310 118.885 118.700 -0.208 0.000 2.371 78 N HA 0.278 5.018 4.740 -0.000 0.000 0.280 78 N C -1.813 173.584 175.510 -0.189 0.000 1.084 78 N CA -0.357 52.587 53.050 -0.177 0.000 0.892 78 N CB 1.785 40.158 38.487 -0.190 0.000 1.653 78 N HN -0.060 nan 8.380 nan 0.000 0.480 79 L N 2.027 123.160 121.223 -0.149 0.000 2.334 79 L HA 0.571 4.911 4.340 -0.000 0.000 0.276 79 L C 0.321 177.163 176.870 -0.046 0.000 1.014 79 L CA -0.879 53.883 54.840 -0.130 0.000 0.815 79 L CB 2.139 44.103 42.059 -0.158 0.000 1.268 79 L HN 0.401 nan 8.230 nan 0.000 0.428 80 R N 1.922 122.438 120.500 0.027 0.000 2.295 80 R HA 0.713 5.053 4.340 -0.000 0.000 0.324 80 R C -1.676 174.767 176.300 0.239 0.000 0.968 80 R CA -0.382 55.831 56.100 0.189 0.000 0.837 80 R CB 1.468 31.941 30.300 0.289 0.000 1.133 80 R HN 0.468 nan 8.270 nan 0.000 0.450 81 V N 5.466 125.479 119.914 0.165 0.000 2.841 81 V HA 0.289 4.409 4.120 -0.000 0.000 0.310 81 V C -0.725 175.118 176.094 -0.418 0.000 1.090 81 V CA -1.067 61.219 62.300 -0.023 0.000 0.930 81 V CB 1.894 33.663 31.823 -0.089 0.000 1.014 81 V HN 0.678 nan 8.190 nan 0.000 0.425 82 L N 3.889 124.874 121.223 -0.397 0.000 2.410 82 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 82 L C 1.215 177.960 176.870 -0.209 0.000 1.144 82 L CA 0.969 55.465 54.840 -0.573 0.000 0.863 82 L CB 1.140 43.281 42.059 0.136 0.000 1.140 82 L HN 0.825 nan 8.230 nan 0.000 0.463 83 A N 4.917 127.584 122.820 -0.254 0.000 1.975 83 A HA 0.345 4.665 4.320 -0.000 0.000 0.215 83 A C 0.456 178.090 177.584 0.082 0.000 1.170 83 A CA 1.033 53.010 52.037 -0.099 0.000 0.656 83 A CB -0.149 18.664 19.000 -0.312 0.000 0.821 83 A HN 0.989 nan 8.150 nan 0.000 0.449 84 V N -2.278 117.729 119.914 0.156 0.000 2.932 84 V HA 0.740 4.860 4.120 -0.000 0.000 0.307 84 V C -0.809 175.453 176.094 0.279 0.000 1.147 84 V CA -0.168 62.290 62.300 0.263 0.000 0.951 84 V CB 1.458 33.507 31.823 0.377 0.000 1.031 84 V HN 0.650 nan 8.190 nan 0.000 0.426 85 S N 1.962 117.840 115.700 0.298 0.000 2.599 85 S HA 0.904 5.374 4.470 -0.000 0.000 0.294 85 S C -0.996 173.757 174.600 0.255 0.000 1.094 85 S CA -0.759 57.600 58.200 0.266 0.000 0.931 85 S CB 2.205 65.608 63.200 0.338 0.000 1.093 85 S HN 0.896 nan 8.310 nan 0.000 0.488 86 E N 0.875 121.176 120.200 0.168 0.000 2.199 86 E HA 0.410 4.760 4.350 -0.000 0.000 0.269 86 E C -0.879 175.799 176.600 0.129 0.000 0.899 86 E CA -0.698 55.785 56.400 0.138 0.000 0.772 86 E CB 1.422 31.015 29.700 -0.178 0.000 1.155 86 E HN 0.634 nan 8.360 nan 0.000 0.408 87 K N 1.611 122.200 120.400 0.316 0.000 2.472 87 K HA 0.160 4.480 4.320 -0.000 0.000 0.280 87 K C -0.437 176.268 176.600 0.176 0.000 1.028 87 K CA 0.263 56.719 56.287 0.282 0.000 1.045 87 K CB 0.386 33.082 32.500 0.327 0.000 0.902 87 K HN 0.403 nan 8.250 nan 0.000 0.478 88 S N 2.893 118.671 115.700 0.130 0.000 2.542 88 S HA 0.226 4.696 4.470 -0.000 0.000 0.293 88 S C 0.149 174.815 174.600 0.111 0.000 1.089 88 S CA -0.767 57.476 58.200 0.073 0.000 0.961 88 S CB 1.476 64.710 63.200 0.057 0.000 1.062 88 S HN 0.739 nan 8.310 nan 0.000 0.483 89 E N 2.269 122.520 120.200 0.085 0.000 2.400 89 E HA 0.113 4.462 4.350 -0.000 0.000 0.195 89 E C 0.892 177.547 176.600 0.091 0.000 1.012 89 E CA 0.173 56.626 56.400 0.089 0.000 0.875 89 E CB -0.008 29.734 29.700 0.070 0.000 0.859 89 E HN 0.772 nan 8.360 nan 0.000 0.498 90 I N -0.599 120.023 120.570 0.087 0.000 3.138 90 I HA 0.100 4.270 4.170 -0.000 0.000 0.288 90 I C 0.443 176.653 176.117 0.154 0.000 1.148 90 I CA -0.394 60.964 61.300 0.096 0.000 1.315 90 I CB 0.499 38.544 38.000 0.075 0.000 1.426 90 I HN -0.264 nan 8.210 nan 0.000 0.615 91 N N 2.037 120.842 118.700 0.176 0.000 2.320 91 N HA 0.152 4.892 4.740 -0.000 0.000 0.237 91 N C -0.307 175.472 175.510 0.447 0.000 1.129 91 N CA 0.060 53.278 53.050 0.279 0.000 0.854 91 N CB 0.726 39.339 38.487 0.209 0.000 1.083 91 N HN 0.601 nan 8.380 nan 0.000 0.504 92 S N -0.448 115.457 115.700 0.341 0.000 2.843 92 S HA 0.465 4.934 4.470 -0.000 0.000 0.249 92 S C 0.093 174.815 174.600 0.204 0.000 1.047 92 S CA -0.473 57.935 58.200 0.346 0.000 1.042 92 S CB 0.880 64.267 63.200 0.312 0.000 0.936 92 S HN 0.375 nan 8.310 nan 0.000 0.531 93 A N 0.639 123.577 122.820 0.196 0.000 2.498 93 A HA 0.798 5.117 4.320 -0.000 0.000 0.298 93 A C -0.437 177.207 177.584 0.100 0.000 1.075 93 A CA -0.594 51.522 52.037 0.132 0.000 0.714 93 A CB 1.145 20.223 19.000 0.129 0.000 1.299 93 A HN 0.215 nan 8.150 nan 0.000 0.407 94 V N 1.285 121.189 119.914 -0.015 0.000 2.655 94 V HA 0.372 4.492 4.120 -0.000 0.000 0.300 94 V C -0.243 175.988 176.094 0.227 0.000 1.044 94 V CA 0.622 62.891 62.300 -0.051 0.000 1.095 94 V CB 0.501 32.230 31.823 -0.156 0.000 0.952 94 V HN 0.815 nan 8.190 nan 0.000 0.485 95 K N 7.608 128.264 120.400 0.427 0.000 2.468 95 K HA 0.549 4.869 4.320 -0.000 0.000 0.252 95 K C -2.684 174.260 176.600 0.574 0.000 0.932 95 K CA -1.587 54.981 56.287 0.469 0.000 0.794 95 K CB 2.275 35.035 32.500 0.432 0.000 1.241 95 K HN 0.478 nan 8.250 nan 0.000 0.428 96 P HA 0.189 nan 4.420 nan 0.000 0.275 96 P C -1.075 176.508 177.300 0.472 0.000 1.266 96 P CA -0.500 62.842 63.100 0.403 0.000 0.793 96 P CB 0.759 32.657 31.700 0.330 0.000 1.074 97 A N 0.068 123.103 122.820 0.359 0.000 2.311 97 A HA 0.438 4.757 4.320 -0.000 0.000 0.334 97 A C 1.281 179.030 177.584 0.275 0.000 1.139 97 A CA -0.654 51.597 52.037 0.356 0.000 0.830 97 A CB 0.671 19.845 19.000 0.290 0.000 1.234 97 A HN 0.267 nan 8.150 nan 0.000 0.483 98 V N 0.491 120.562 119.914 0.261 0.000 2.453 98 V HA -0.043 4.077 4.120 -0.000 0.000 0.247 98 V C 0.978 177.216 176.094 0.241 0.000 1.048 98 V CA 2.073 64.501 62.300 0.213 0.000 1.049 98 V CB -0.522 31.428 31.823 0.212 0.000 0.672 98 V HN 0.818 nan 8.190 nan 0.000 0.457 99 T N 1.324 116.024 114.554 0.243 0.000 2.821 99 T HA 0.312 4.662 4.350 -0.000 0.000 0.307 99 T C -0.088 174.675 174.700 0.103 0.000 1.034 99 T CA -0.218 61.965 62.100 0.138 0.000 0.953 99 T CB 0.143 69.149 68.868 0.231 0.000 0.968 99 T HN 0.359 nan 8.240 nan 0.000 0.462 100 N N 2.950 121.617 118.700 -0.055 0.000 3.229 100 N HA 0.498 5.238 4.740 -0.000 0.000 0.275 100 N C 0.561 175.845 175.510 -0.376 0.000 1.225 100 N CA -0.401 52.596 53.050 -0.088 0.000 1.119 100 N CB 0.526 38.992 38.487 -0.034 0.000 1.392 100 N HN 0.960 nan 8.380 nan 0.000 0.520 101 G N 0.720 109.011 108.800 -0.848 0.000 2.712 101 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.686 101 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.686 101 G C -0.556 173.715 174.900 -1.047 0.000 1.321 101 G CA -1.064 43.099 45.100 -1.560 0.000 0.813 101 G HN 0.219 nan 8.290 nan 0.000 0.599 102 F N 1.478 120.915 119.950 -0.855 0.000 2.623 102 F HA 0.351 4.878 4.527 -0.000 0.000 0.383 102 F C 1.992 177.555 175.800 -0.395 0.000 1.077 102 F CA 1.789 59.531 58.000 -0.430 0.000 1.268 102 F CB 0.655 39.526 39.000 -0.216 0.000 1.053 102 F HN 1.932 nan 8.300 nan 0.000 0.571 103 G N 2.342 110.987 108.800 -0.258 0.000 2.205 103 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.261 103 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.261 103 G C 0.466 175.045 174.900 -0.534 0.000 0.980 103 G CA 0.092 44.986 45.100 -0.343 0.000 0.632 103 G HN 0.636 nan 8.290 nan 0.000 0.533 104 N N 0.777 119.137 118.700 -0.567 0.000 3.083 104 N HA 0.454 5.194 4.740 -0.000 0.000 0.260 104 N C -0.764 174.571 175.510 -0.292 0.000 1.163 104 N CA -0.375 52.476 53.050 -0.332 0.000 1.060 104 N CB -0.228 38.105 38.487 -0.258 0.000 1.345 104 N HN 0.319 nan 8.380 nan 0.000 0.515 105 Y N -0.017 120.300 120.300 0.029 0.000 2.313 105 Y HA 0.162 4.712 4.550 -0.000 0.000 0.332 105 Y C 0.914 176.838 175.900 0.040 0.000 1.071 105 Y CA -0.888 57.240 58.100 0.048 0.000 1.169 105 Y CB 0.725 39.216 38.460 0.052 0.000 1.192 105 Y HN 0.222 nan 8.280 nan 0.000 0.487 106 D N 3.763 124.280 120.400 0.195 0.000 2.383 106 D HA -0.016 4.624 4.640 -0.000 0.000 0.245 106 D C 0.735 177.101 176.300 0.110 0.000 1.263 106 D CA 0.249 54.325 54.000 0.125 0.000 0.936 106 D CB 0.532 41.398 40.800 0.110 0.000 1.053 106 D HN 0.624 nan 8.370 nan 0.000 0.507 107 E N 1.780 122.037 120.200 0.095 0.000 2.153 107 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 107 E C 1.519 178.151 176.600 0.054 0.000 0.988 107 E CA 0.997 57.438 56.400 0.068 0.000 0.811 107 E CB 0.091 29.826 29.700 0.057 0.000 0.746 107 E HN 0.511 nan 8.360 nan 0.000 0.466 108 T N 1.700 116.287 114.554 0.054 0.000 2.746 108 T HA -0.076 4.273 4.350 -0.000 0.000 0.267 108 T C 2.098 176.819 174.700 0.036 0.000 1.039 108 T CA 0.704 62.831 62.100 0.046 0.000 1.142 108 T CB -0.138 68.760 68.868 0.050 0.000 0.866 108 T HN 0.110 nan 8.240 nan 0.000 0.444 109 L N 0.394 121.633 121.223 0.027 0.000 2.093 109 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 109 L C 2.382 179.236 176.870 -0.027 0.000 1.085 109 L CA 0.936 55.758 54.840 -0.031 0.000 0.755 109 L CB -0.557 41.451 42.059 -0.084 0.000 0.904 109 L HN 0.259 nan 8.230 nan 0.000 0.435 110 L N -0.710 120.524 121.223 0.020 0.000 2.191 110 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 110 L C 2.582 179.496 176.870 0.073 0.000 1.103 110 L CA 0.989 55.855 54.840 0.043 0.000 0.769 110 L CB -0.456 41.624 42.059 0.034 0.000 0.908 110 L HN 0.361 nan 8.230 nan 0.000 0.438 111 Q N -0.281 119.558 119.800 0.065 0.000 2.291 111 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 111 Q C 2.282 178.350 176.000 0.113 0.000 0.976 111 Q CA 1.204 57.062 55.803 0.091 0.000 0.875 111 Q CB -0.253 28.527 28.738 0.069 0.000 0.927 111 Q HN 0.635 nan 8.270 nan 0.000 0.450 112 G N 1.026 109.869 108.800 0.072 0.000 2.408 112 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 112 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 112 G C 1.355 176.325 174.900 0.117 0.000 1.150 112 G CA 0.412 45.562 45.100 0.083 0.000 0.776 112 G HN 0.250 nan 8.290 nan 0.000 0.542 113 L N 1.066 122.348 121.223 0.098 0.000 2.046 113 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 113 L C 2.122 179.080 176.870 0.145 0.000 1.077 113 L CA 2.014 56.924 54.840 0.116 0.000 0.747 113 L CB -0.562 41.598 42.059 0.168 0.000 0.896 113 L HN 0.079 nan 8.230 nan 0.000 0.432 114 D N -1.360 119.166 120.400 0.211 0.000 2.104 114 D HA -0.284 4.356 4.640 -0.000 0.000 0.194 114 D C 2.039 178.417 176.300 0.129 0.000 0.994 114 D CA 1.806 55.927 54.000 0.201 0.000 0.830 114 D CB -0.402 40.523 40.800 0.207 0.000 0.959 114 D HN 0.476 nan 8.370 nan 0.000 0.452 115 Y N 0.936 121.259 120.300 0.038 0.000 2.181 115 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 115 Y C 2.219 178.115 175.900 -0.006 0.000 1.146 115 Y CA 0.946 59.058 58.100 0.019 0.000 1.164 115 Y CB -0.365 38.111 38.460 0.028 0.000 0.982 115 Y HN -0.069 nan 8.280 nan 0.000 0.515 116 L N 0.131 121.407 121.223 0.088 0.000 2.012 116 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 116 L C 2.059 178.856 176.870 -0.122 0.000 1.073 116 L CA 1.855 56.681 54.840 -0.023 0.000 0.748 116 L CB -0.881 41.173 42.059 -0.010 0.000 0.891 116 L HN 0.331 nan 8.230 nan 0.000 0.431 117 L N -1.886 119.264 121.223 -0.122 0.000 2.093 117 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 117 L C 2.424 179.188 176.870 -0.176 0.000 1.085 117 L CA 0.849 55.584 54.840 -0.175 0.000 0.755 117 L CB -0.652 41.266 42.059 -0.235 0.000 0.904 117 L HN 0.126 nan 8.230 nan 0.000 0.435 118 V N -0.330 119.475 119.914 -0.182 0.000 2.295 118 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 118 V C 2.554 178.502 176.094 -0.242 0.000 1.049 118 V CA 1.682 63.858 62.300 -0.208 0.000 1.024 118 V CB -0.432 31.246 31.823 -0.241 0.000 0.648 118 V HN 0.437 nan 8.190 nan 0.000 0.447 119 E N -0.024 119.988 120.200 -0.314 0.000 2.106 119 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 119 E C 2.230 178.730 176.600 -0.168 0.000 0.984 119 E CA 1.022 57.267 56.400 -0.259 0.000 0.806 119 E CB -0.291 29.250 29.700 -0.264 0.000 0.750 119 E HN 0.516 nan 8.360 nan 0.000 0.458 120 L N 0.561 121.688 121.223 -0.161 0.000 2.056 120 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 120 L C 2.563 179.353 176.870 -0.134 0.000 1.078 120 L CA 1.098 55.854 54.840 -0.141 0.000 0.749 120 L CB -0.535 41.434 42.059 -0.150 0.000 0.901 120 L HN 0.056 nan 8.230 nan 0.000 0.433 121 A N 0.168 122.901 122.820 -0.144 0.000 1.933 121 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 121 A C 2.275 179.793 177.584 -0.109 0.000 1.175 121 A CA 1.586 53.544 52.037 -0.133 0.000 0.628 121 A CB -0.359 18.558 19.000 -0.139 0.000 0.814 121 A HN 0.338 nan 8.150 nan 0.000 0.444 122 K N -0.768 119.567 120.400 -0.109 0.000 2.209 122 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 122 K C 1.484 178.041 176.600 -0.072 0.000 1.048 122 K CA 1.363 57.598 56.287 -0.086 0.000 0.940 122 K CB -0.103 32.344 32.500 -0.088 0.000 0.729 122 K HN 0.404 nan 8.250 nan 0.000 0.451 123 R N 0.579 121.032 120.500 -0.079 0.000 2.432 123 R HA 0.040 4.380 4.340 -0.000 0.000 0.260 123 R C -0.682 175.579 176.300 -0.066 0.000 0.935 123 R CA -0.056 56.002 56.100 -0.069 0.000 1.080 123 R CB 0.469 30.723 30.300 -0.075 0.000 1.155 123 R HN 0.092 nan 8.270 nan 0.000 0.531 124 D N 1.173 121.531 120.400 -0.069 0.000 2.708 124 D HA -0.209 4.431 4.640 -0.000 0.000 0.236 124 D C -0.425 175.844 176.300 -0.051 0.000 1.146 124 D CA 1.346 55.311 54.000 -0.058 0.000 0.662 124 D CB -0.830 39.950 40.800 -0.034 0.000 1.059 124 D HN 0.332 nan 8.370 nan 0.000 0.428 125 M N -0.252 119.301 119.600 -0.078 0.000 2.537 125 M HA 0.370 4.850 4.480 -0.000 0.000 0.324 125 M C 0.923 177.164 176.300 -0.098 0.000 1.187 125 M CA -0.428 54.822 55.300 -0.083 0.000 0.993 125 M CB 2.206 34.738 32.600 -0.114 0.000 1.666 125 M HN 0.031 nan 8.290 nan 0.000 0.461 126 T N -1.123 113.381 114.554 -0.083 0.000 2.927 126 T HA 0.816 5.166 4.350 -0.000 0.000 0.286 126 T C -0.937 173.686 174.700 -0.128 0.000 1.040 126 T CA -0.914 61.116 62.100 -0.116 0.000 1.010 126 T CB 1.940 70.748 68.868 -0.100 0.000 1.177 126 T HN 0.551 nan 8.240 nan 0.000 0.546 127 V N 0.506 120.330 119.914 -0.150 0.000 2.841 127 V HA 0.650 4.770 4.120 -0.000 0.000 0.310 127 V C -1.319 174.705 176.094 -0.116 0.000 1.090 127 V CA -0.751 61.470 62.300 -0.131 0.000 0.930 127 V CB 2.160 33.893 31.823 -0.151 0.000 1.014 127 V HN 0.953 nan 8.190 nan 0.000 0.425 128 V N 7.591 127.489 119.914 -0.026 0.000 2.370 128 V HA 0.507 4.627 4.120 -0.000 0.000 0.279 128 V C -0.203 175.950 176.094 0.098 0.000 1.029 128 V CA -0.411 61.929 62.300 0.067 0.000 0.870 128 V CB 1.387 33.326 31.823 0.193 0.000 0.984 128 V HN 0.681 nan 8.190 nan 0.000 0.451 129 L N 6.606 127.863 121.223 0.057 0.000 2.298 129 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 129 L C -0.690 176.155 176.870 -0.041 0.000 1.013 129 L CA -0.684 54.123 54.840 -0.055 0.000 0.824 129 L CB 1.151 43.152 42.059 -0.097 0.000 1.221 129 L HN 0.722 nan 8.230 nan 0.000 0.418 130 Y N 0.308 120.598 120.300 -0.017 0.000 2.361 130 Y HA 0.498 5.048 4.550 -0.000 0.000 0.332 130 Y C 0.017 175.909 175.900 -0.014 0.000 1.101 130 Y CA -1.059 57.087 58.100 0.076 0.000 1.137 130 Y CB 0.705 39.324 38.460 0.265 0.000 1.207 130 Y HN 0.328 nan 8.280 nan 0.000 0.463 131 F N 1.180 121.431 119.950 0.502 0.000 2.653 131 F HA 0.315 4.842 4.527 0.000 0.000 0.304 131 F C 0.398 176.490 175.800 0.486 0.000 1.092 131 F CA -0.176 58.080 58.000 0.427 0.000 1.279 131 F CB 0.141 39.374 39.000 0.388 0.000 1.044 131 F HN 0.650 nan 8.300 nan 0.000 0.564 132 N N -0.356 118.685 118.700 0.569 0.000 3.373 132 N HA 0.197 4.937 4.740 -0.000 0.000 0.275 132 N C -2.101 173.534 175.510 0.209 0.000 1.489 132 N CA -0.458 52.795 53.050 0.339 0.000 0.872 132 N CB 1.187 39.788 38.487 0.190 0.000 1.555 132 N HN -0.145 nan 8.380 nan 0.000 0.500 133 N N 0.475 119.159 118.700 -0.027 0.000 2.455 133 N HA 0.279 5.019 4.740 -0.000 0.000 0.285 133 N C -0.349 175.030 175.510 -0.217 0.000 1.080 133 N CA -0.429 52.559 53.050 -0.104 0.000 0.932 133 N CB 0.632 38.946 38.487 -0.288 0.000 1.610 133 N HN 0.461 nan 8.380 nan 0.000 0.493 134 F N 2.053 121.761 119.950 -0.403 0.000 2.234 134 F HA 0.210 4.737 4.527 -0.000 0.000 0.299 134 F C 0.303 175.803 175.800 -0.501 0.000 1.087 134 F CA 0.973 58.597 58.000 -0.627 0.000 1.340 134 F CB 0.212 38.694 39.000 -0.863 0.000 1.031 134 F HN 0.516 nan 8.300 nan 0.000 0.500 135 W N 0.559 121.921 121.300 0.103 0.000 2.225 135 W HA 0.223 4.883 4.660 0.000 0.000 0.377 135 W C 1.540 178.048 176.519 -0.020 0.000 1.418 135 W CA -0.483 56.948 57.345 0.143 0.000 1.562 135 W CB -0.019 29.553 29.460 0.185 0.000 1.297 135 W HN -0.172 nan 8.180 nan 0.000 0.686 136 Q N 1.297 121.284 119.800 0.312 0.000 2.408 136 Q HA -0.059 4.281 4.340 -0.000 0.000 0.205 136 Q C 1.435 177.485 176.000 0.084 0.000 0.919 136 Q CA 0.809 56.709 55.803 0.161 0.000 0.932 136 Q CB -0.693 28.111 28.738 0.109 0.000 1.058 136 Q HN 0.910 nan 8.270 nan 0.000 0.517 137 W N 1.879 123.215 121.300 0.060 0.000 2.699 137 W HA 0.146 4.806 4.660 0.000 0.000 0.249 137 W C 0.467 176.909 176.519 -0.128 0.000 1.280 137 W CA 0.721 58.020 57.345 -0.076 0.000 1.345 137 W CB -0.454 28.899 29.460 -0.179 0.000 1.128 137 W HN 0.252 nan 8.180 nan 0.000 0.642 138 S N -0.801 114.751 115.700 -0.247 0.000 2.754 138 S HA 0.533 5.003 4.470 -0.000 0.000 0.247 138 S C 1.181 175.738 174.600 -0.073 0.000 1.031 138 S CA 0.257 58.368 58.200 -0.147 0.000 1.014 138 S CB 0.085 63.111 63.200 -0.290 0.000 0.918 138 S HN 0.500 nan 8.310 nan 0.000 0.519 139 G N 1.788 110.542 108.800 -0.076 0.000 5.356 139 G HA2 0.060 4.019 3.960 -0.000 0.000 0.309 139 G HA3 0.060 4.019 3.960 -0.000 0.000 0.309 139 G C 1.177 175.992 174.900 -0.141 0.000 1.451 139 G CA 0.456 45.487 45.100 -0.116 0.000 0.978 139 G HN 2.048 nan 8.290 nan 0.000 0.771 140 G N -0.707 108.031 108.800 -0.103 0.000 2.562 140 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.250 140 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.250 140 G C 1.035 175.834 174.900 -0.168 0.000 1.269 140 G CA 1.181 46.208 45.100 -0.122 0.000 0.919 140 G HN 1.451 nan 8.290 nan 0.000 0.574 141 M N 0.583 119.891 119.600 -0.486 0.000 2.159 141 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 141 M C 2.951 179.006 176.300 -0.409 0.000 1.063 141 M CA 2.939 57.791 55.300 -0.746 0.000 1.110 141 M CB -0.715 31.219 32.600 -1.111 0.000 1.374 141 M HN 0.878 nan 8.290 nan 0.000 0.411 142 T N -2.291 112.000 114.554 -0.438 0.000 2.951 142 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 142 T C 1.665 176.207 174.700 -0.263 0.000 1.073 142 T CA 1.135 63.010 62.100 -0.375 0.000 1.134 142 T CB -0.231 68.362 68.868 -0.457 0.000 0.884 142 T HN 0.233 nan 8.240 nan 0.000 0.479 143 Q N 0.085 119.712 119.800 -0.287 0.000 2.123 143 Q HA 0.030 4.370 4.340 -0.000 0.000 0.199 143 Q C 1.701 177.315 176.000 -0.642 0.000 0.966 143 Q CA 1.277 56.761 55.803 -0.532 0.000 0.845 143 Q CB -0.733 27.622 28.738 -0.638 0.000 0.907 143 Q HN 0.686 nan 8.270 nan 0.000 0.439 144 Y N -0.663 119.405 120.300 -0.388 0.000 2.114 144 Y HA -0.264 4.286 4.550 -0.000 0.000 0.282 144 Y C 2.027 177.990 175.900 0.106 0.000 1.165 144 Y CA 1.549 59.674 58.100 0.041 0.000 1.148 144 Y CB -0.282 38.380 38.460 0.336 0.000 0.972 144 Y HN 0.182 nan 8.280 nan 0.000 0.504 145 M N -0.887 118.802 119.600 0.148 0.000 2.229 145 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 145 M C 2.423 178.746 176.300 0.039 0.000 1.063 145 M CA 1.382 56.734 55.300 0.087 0.000 1.114 145 M CB -1.737 30.846 32.600 -0.029 0.000 1.387 145 M HN 0.289 nan 8.290 nan 0.000 0.420 146 A N -0.483 122.295 122.820 -0.071 0.000 1.902 146 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 146 A C 1.962 179.582 177.584 0.060 0.000 1.181 146 A CA 1.196 53.192 52.037 -0.068 0.000 0.623 146 A CB -0.922 17.970 19.000 -0.181 0.000 0.818 146 A HN 0.551 nan 8.150 nan 0.000 0.443 147 W N -0.109 121.155 121.300 -0.060 0.000 2.381 147 W HA -0.033 4.627 4.660 0.000 0.000 0.301 147 W C 2.079 178.623 176.519 0.041 0.000 1.205 147 W CA 0.469 57.744 57.345 -0.117 0.000 1.285 147 W CB -1.037 28.145 29.460 -0.464 0.000 1.133 147 W HN 0.292 nan 8.180 nan 0.000 0.521 148 I N 0.033 120.833 120.570 0.384 0.000 2.252 148 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 148 I C 1.798 178.021 176.117 0.176 0.000 1.102 148 I CA 1.512 63.001 61.300 0.315 0.000 1.385 148 I CB -0.412 37.767 38.000 0.299 0.000 1.064 148 I HN -0.067 nan 8.210 nan 0.000 0.414 149 E N 0.300 120.579 120.200 0.132 0.000 2.447 149 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 149 E C 1.266 177.908 176.600 0.069 0.000 1.028 149 E CA 0.454 56.900 56.400 0.077 0.000 0.876 149 E CB 0.301 30.027 29.700 0.043 0.000 0.885 149 E HN 0.515 nan 8.360 nan 0.000 0.500 150 G N 2.030 110.886 108.800 0.093 0.000 2.249 150 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.273 150 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.273 150 G C -0.219 174.714 174.900 0.055 0.000 1.036 150 G CA 0.383 45.530 45.100 0.079 0.000 0.824 150 G HN 0.116 nan 8.290 nan 0.000 0.504 151 E N 0.120 120.346 120.200 0.044 0.000 2.266 151 E HA 0.450 4.800 4.350 -0.000 0.000 0.268 151 E C -2.334 174.273 176.600 0.011 0.000 0.879 151 E CA -1.866 54.547 56.400 0.022 0.000 0.762 151 E CB 2.324 32.029 29.700 0.007 0.000 1.199 151 E HN 0.176 nan 8.360 nan 0.000 0.422 152 P HA 0.077 nan 4.420 nan 0.000 0.271 152 P C 0.110 177.395 177.300 -0.025 0.000 1.218 152 P CA -0.333 62.766 63.100 -0.002 0.000 0.780 152 P CB 0.626 32.330 31.700 0.007 0.000 0.901 153 V N 3.744 123.633 119.914 -0.041 0.000 2.673 153 V HA -0.039 4.081 4.120 -0.000 0.000 0.303 153 V C 0.963 177.050 176.094 -0.013 0.000 1.046 153 V CA 0.388 62.664 62.300 -0.039 0.000 1.126 153 V CB -0.070 31.725 31.823 -0.046 0.000 0.934 153 V HN 0.488 nan 8.190 nan 0.000 0.487 154 Q N 2.928 122.726 119.800 -0.003 0.000 2.390 154 Q HA 0.229 4.569 4.340 -0.000 0.000 0.249 154 Q C -0.373 175.618 176.000 -0.016 0.000 0.996 154 Q CA -0.507 55.288 55.803 -0.012 0.000 0.899 154 Q CB 0.953 29.680 28.738 -0.019 0.000 1.216 154 Q HN 0.724 nan 8.270 nan 0.000 0.465 155 D N 4.746 125.114 120.400 -0.053 0.000 2.382 155 D HA 0.024 4.664 4.640 -0.000 0.000 0.259 155 D C -1.393 174.749 176.300 -0.265 0.000 1.224 155 D CA -1.693 52.240 54.000 -0.111 0.000 0.894 155 D CB 1.119 41.889 40.800 -0.050 0.000 1.127 155 D HN 0.192 nan 8.370 nan 0.000 0.487 156 P HA -0.103 nan 4.420 nan 0.000 0.226 156 P C 0.749 177.636 177.300 -0.688 0.000 1.153 156 P CA 0.444 62.964 63.100 -0.967 0.000 0.777 156 P CB 0.431 30.895 31.700 -2.060 0.000 0.794 157 N N -0.258 118.258 118.700 -0.307 0.000 2.289 157 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 157 N C 1.694 177.161 175.510 -0.073 0.000 1.016 157 N CA 0.814 53.845 53.050 -0.030 0.000 0.872 157 N CB -0.637 37.899 38.487 0.081 0.000 0.973 157 N HN 0.089 nan 8.380 nan 0.000 0.433 158 V N 0.203 120.044 119.914 -0.121 0.000 2.492 158 V HA -0.080 4.040 4.120 -0.000 0.000 0.241 158 V C 2.386 178.421 176.094 -0.099 0.000 1.041 158 V CA 1.912 64.153 62.300 -0.098 0.000 1.057 158 V CB -0.696 31.077 31.823 -0.084 0.000 0.711 158 V HN 0.436 nan 8.190 nan 0.000 0.468 159 T N -2.407 112.061 114.554 -0.144 0.000 2.985 159 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 159 T C 1.299 175.932 174.700 -0.112 0.000 1.076 159 T CA 1.011 63.038 62.100 -0.122 0.000 1.135 159 T CB -0.458 68.328 68.868 -0.136 0.000 0.890 159 T HN 0.408 nan 8.240 nan 0.000 0.480 160 N N 1.392 119.991 118.700 -0.169 0.000 2.708 160 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 160 N C -0.910 174.560 175.510 -0.066 0.000 1.123 160 N CA 0.959 53.972 53.050 -0.063 0.000 0.739 160 N CB -1.436 37.106 38.487 0.092 0.000 1.113 160 N HN 0.722 nan 8.380 nan 0.000 0.561 161 E N -0.629 119.437 120.200 -0.223 0.000 2.490 161 E HA 0.055 4.405 4.350 -0.000 0.000 0.232 161 E C 0.229 176.795 176.600 -0.058 0.000 1.091 161 E CA -0.378 55.982 56.400 -0.066 0.000 1.050 161 E CB -0.360 29.313 29.700 -0.044 0.000 1.342 161 E HN 0.493 nan 8.360 nan 0.000 0.454 162 W N 1.187 122.555 121.300 0.113 0.000 2.418 162 W HA -0.080 4.580 4.660 -0.000 0.000 0.292 162 W C 2.067 178.728 176.519 0.237 0.000 1.213 162 W CA 0.333 57.787 57.345 0.181 0.000 1.283 162 W CB 0.317 29.855 29.460 0.131 0.000 1.119 162 W HN 0.327 nan 8.180 nan 0.000 0.542 163 E N 0.235 120.651 120.200 0.361 0.000 2.077 163 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 163 E C 2.260 178.973 176.600 0.188 0.000 0.989 163 E CA 1.534 58.088 56.400 0.257 0.000 0.800 163 E CB -0.902 28.904 29.700 0.177 0.000 0.746 163 E HN 0.266 nan 8.360 nan 0.000 0.452 164 A N 0.842 123.745 122.820 0.139 0.000 1.902 164 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 164 A C 2.081 179.694 177.584 0.048 0.000 1.181 164 A CA 1.195 53.274 52.037 0.069 0.000 0.623 164 A CB -0.811 18.212 19.000 0.038 0.000 0.818 164 A HN 0.282 nan 8.150 nan 0.000 0.443 165 F N 0.361 120.289 119.950 -0.037 0.000 2.102 165 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 165 F C 2.311 178.054 175.800 -0.096 0.000 1.105 165 F CA 2.176 60.120 58.000 -0.094 0.000 1.239 165 F CB -0.243 38.677 39.000 -0.133 0.000 0.991 165 F HN 0.149 nan 8.300 nan 0.000 0.474 166 M N -0.107 119.604 119.600 0.186 0.000 2.159 166 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 166 M C 2.441 178.728 176.300 -0.022 0.000 1.063 166 M CA 1.523 56.898 55.300 0.125 0.000 1.110 166 M CB -0.766 32.114 32.600 0.466 0.000 1.374 166 M HN 0.325 nan 8.290 nan 0.000 0.411 167 A N 0.437 123.250 122.820 -0.013 0.000 1.902 167 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 167 A C 2.114 179.601 177.584 -0.162 0.000 1.181 167 A CA 1.937 53.948 52.037 -0.043 0.000 0.623 167 A CB -0.498 18.495 19.000 -0.012 0.000 0.818 167 A HN 0.308 nan 8.150 nan 0.000 0.443 168 K N -0.036 120.206 120.400 -0.263 0.000 2.057 168 K HA -0.081 4.238 4.320 -0.000 0.000 0.207 168 K C 2.326 178.635 176.600 -0.485 0.000 1.049 168 K CA 1.715 57.799 56.287 -0.339 0.000 0.931 168 K CB -0.487 31.788 32.500 -0.374 0.000 0.714 168 K HN 0.344 nan 8.250 nan 0.000 0.440 169 S N -0.600 114.633 115.700 -0.778 0.000 2.368 169 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 169 S C 1.882 176.079 174.600 -0.673 0.000 1.030 169 S CA 1.250 58.865 58.200 -0.976 0.000 0.999 169 S CB -0.447 61.697 63.200 -1.759 0.000 0.844 169 S HN 0.458 nan 8.310 nan 0.000 0.459 170 A N 0.994 123.583 122.820 -0.385 0.000 2.121 170 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 170 A C 2.241 179.641 177.584 -0.308 0.000 1.154 170 A CA 1.691 53.571 52.037 -0.262 0.000 0.679 170 A CB -0.887 18.196 19.000 0.139 0.000 0.795 170 A HN 0.755 nan 8.150 nan 0.000 0.458 171 S N -0.771 114.788 115.700 -0.236 0.000 2.442 171 S HA -0.209 4.261 4.470 -0.000 0.000 0.236 171 S C 1.692 176.174 174.600 -0.197 0.000 1.007 171 S CA 1.187 59.289 58.200 -0.163 0.000 0.965 171 S CB -0.892 62.230 63.200 -0.129 0.000 0.773 171 S HN 0.652 nan 8.310 nan 0.000 0.504 172 F N 2.405 122.054 119.950 -0.502 0.000 2.115 172 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 172 F C 1.825 177.334 175.800 -0.486 0.000 1.092 172 F CA 1.589 59.263 58.000 -0.543 0.000 1.245 172 F CB -0.642 37.892 39.000 -0.776 0.000 0.995 172 F HN 0.184 nan 8.300 nan 0.000 0.481 173 Y N 0.318 120.388 120.300 -0.382 0.000 2.333 173 Y HA -0.058 4.492 4.550 -0.000 0.000 0.290 173 Y C 2.370 178.095 175.900 -0.293 0.000 1.144 173 Y CA 1.227 59.024 58.100 -0.506 0.000 1.228 173 Y CB -0.926 37.321 38.460 -0.356 0.000 0.985 173 Y HN 0.054 nan 8.280 nan 0.000 0.542 174 R N -0.380 120.071 120.500 -0.081 0.000 2.297 174 R HA 0.089 4.429 4.340 -0.000 0.000 0.197 174 R C 0.609 176.858 176.300 -0.086 0.000 0.943 174 R CA 0.298 56.368 56.100 -0.050 0.000 1.038 174 R CB 0.141 30.426 30.300 -0.027 0.000 0.957 174 R HN 0.016 nan 8.270 nan 0.000 0.484 175 S N 1.119 116.726 115.700 -0.155 0.000 2.410 175 S HA 0.086 4.556 4.470 -0.000 0.000 0.304 175 S C 1.047 175.566 174.600 -0.135 0.000 1.095 175 S CA -0.617 57.509 58.200 -0.124 0.000 1.089 175 S CB 0.965 64.098 63.200 -0.112 0.000 0.968 175 S HN 0.118 nan 8.310 nan 0.000 0.480 176 E N 3.836 123.987 120.200 -0.082 0.000 2.110 176 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 176 E C 1.608 178.161 176.600 -0.080 0.000 0.988 176 E CA 0.919 57.274 56.400 -0.076 0.000 0.804 176 E CB -0.083 29.586 29.700 -0.051 0.000 0.745 176 E HN 0.652 nan 8.360 nan 0.000 0.458 177 K N 1.615 121.976 120.400 -0.065 0.000 2.057 177 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 177 K C 1.956 178.505 176.600 -0.086 0.000 1.049 177 K CA 1.564 57.806 56.287 -0.075 0.000 0.931 177 K CB -0.481 31.997 32.500 -0.036 0.000 0.714 177 K HN 0.054 nan 8.250 nan 0.000 0.440 178 A N 0.493 123.288 122.820 -0.042 0.000 1.902 178 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 178 A C 2.061 179.620 177.584 -0.041 0.000 1.181 178 A CA 1.536 53.601 52.037 0.048 0.000 0.623 178 A CB -0.562 18.386 19.000 -0.088 0.000 0.818 178 A HN 0.403 nan 8.150 nan 0.000 0.443 179 Q N -0.218 119.475 119.800 -0.179 0.000 2.119 179 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 179 Q C 2.119 178.125 176.000 0.010 0.000 0.972 179 Q CA 1.678 57.440 55.803 -0.067 0.000 0.847 179 Q CB -0.503 28.188 28.738 -0.077 0.000 0.903 179 Q HN 0.834 nan 8.270 nan 0.000 0.433 180 Q N 0.191 119.960 119.800 -0.051 0.000 2.084 180 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 180 Q C 1.893 177.872 176.000 -0.034 0.000 0.978 180 Q CA 1.028 56.786 55.803 -0.076 0.000 0.844 180 Q CB 0.094 28.774 28.738 -0.097 0.000 0.898 180 Q HN 0.324 nan 8.270 nan 0.000 0.426 181 E N -0.149 120.043 120.200 -0.012 0.000 2.107 181 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 181 E C 1.729 178.565 176.600 0.393 0.000 0.982 181 E CA 0.770 57.193 56.400 0.038 0.000 0.809 181 E CB -0.266 29.199 29.700 -0.392 0.000 0.756 181 E HN 0.399 nan 8.360 nan 0.000 0.459 182 Y N 2.199 122.742 120.300 0.406 0.000 2.145 182 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 182 Y C 2.240 178.259 175.900 0.199 0.000 1.145 182 Y CA 1.669 60.034 58.100 0.443 0.000 1.148 182 Y CB -0.130 38.576 38.460 0.409 0.000 0.981 182 Y HN -0.118 nan 8.280 nan 0.000 0.507 183 R N 0.201 120.656 120.500 -0.075 0.000 2.096 183 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 183 R C 2.260 178.482 176.300 -0.131 0.000 1.127 183 R CA 1.620 57.523 56.100 -0.328 0.000 0.968 183 R CB -0.206 29.706 30.300 -0.646 0.000 0.861 183 R HN 0.346 nan 8.270 nan 0.000 0.440 184 K N -0.427 119.960 120.400 -0.021 0.000 2.097 184 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 184 K C 2.044 178.682 176.600 0.063 0.000 1.049 184 K CA 1.594 57.909 56.287 0.047 0.000 0.933 184 K CB -0.038 32.522 32.500 0.100 0.000 0.717 184 K HN 0.103 nan 8.250 nan 0.000 0.442 185 T N 1.858 116.492 114.554 0.134 0.000 2.777 185 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 185 T C 1.837 176.437 174.700 -0.166 0.000 1.040 185 T CA 0.889 63.061 62.100 0.120 0.000 1.141 185 T CB -0.139 68.958 68.868 0.382 0.000 0.868 185 T HN 0.092 nan 8.240 nan 0.000 0.444 186 L N 0.744 121.751 121.223 -0.360 0.000 2.012 186 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 186 L C 2.784 179.348 176.870 -0.510 0.000 1.073 186 L CA 1.680 56.091 54.840 -0.715 0.000 0.748 186 L CB -0.505 41.157 42.059 -0.661 0.000 0.891 186 L HN 0.348 nan 8.230 nan 0.000 0.431 187 E N 0.335 120.386 120.200 -0.248 0.000 2.110 187 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 187 E C 2.140 178.605 176.600 -0.225 0.000 0.988 187 E CA 1.235 57.516 56.400 -0.198 0.000 0.804 187 E CB 0.141 29.813 29.700 -0.046 0.000 0.745 187 E HN 0.140 nan 8.360 nan 0.000 0.458 188 K N 0.733 120.992 120.400 -0.235 0.000 2.063 188 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 188 K C 1.826 178.248 176.600 -0.297 0.000 1.048 188 K CA 1.399 57.505 56.287 -0.302 0.000 0.928 188 K CB -0.199 31.960 32.500 -0.568 0.000 0.713 188 K HN 0.167 nan 8.250 nan 0.000 0.442 189 I N 0.286 120.702 120.570 -0.256 0.000 2.400 189 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 189 I C 2.261 178.263 176.117 -0.192 0.000 1.109 189 I CA 0.905 62.120 61.300 -0.141 0.000 1.425 189 I CB -0.693 37.438 38.000 0.218 0.000 1.094 189 I HN 0.113 nan 8.210 nan 0.000 0.425 190 I N 1.169 121.525 120.570 -0.355 0.000 2.315 190 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 190 I C 2.259 178.309 176.117 -0.112 0.000 1.117 190 I CA 1.767 62.827 61.300 -0.400 0.000 1.404 190 I CB -0.385 37.179 38.000 -0.727 0.000 1.071 190 I HN 0.290 nan 8.210 nan 0.000 0.419 191 T N -1.479 112.976 114.554 -0.165 0.000 3.129 191 T HA 0.035 4.385 4.350 -0.000 0.000 0.251 191 T C 0.964 175.586 174.700 -0.131 0.000 1.117 191 T CA -0.358 61.683 62.100 -0.097 0.000 1.034 191 T CB -0.259 68.549 68.868 -0.099 0.000 0.968 191 T HN 0.167 nan 8.240 nan 0.000 0.526 192 R N 0.929 121.262 120.500 -0.278 0.000 2.679 192 R HA 0.318 4.658 4.340 -0.000 0.000 0.268 192 R C -0.909 175.220 176.300 -0.285 0.000 1.044 192 R CA -0.169 55.672 56.100 -0.430 0.000 1.105 192 R CB 0.346 30.101 30.300 -0.908 0.000 0.989 192 R HN 0.152 nan 8.270 nan 0.000 0.447 193 V N 4.777 124.601 119.914 -0.151 0.000 2.427 193 V HA 0.082 4.202 4.120 -0.000 0.000 0.286 193 V C 0.243 176.374 176.094 0.061 0.000 1.034 193 V CA -0.884 61.424 62.300 0.012 0.000 0.893 193 V CB 1.394 33.233 31.823 0.025 0.000 0.982 193 V HN 0.789 nan 8.190 nan 0.000 0.452 194 N N 3.068 121.913 118.700 0.242 0.000 2.434 194 N HA -0.057 4.683 4.740 -0.000 0.000 0.268 194 N C 1.455 177.048 175.510 0.138 0.000 1.256 194 N CA 0.738 53.954 53.050 0.276 0.000 0.914 194 N CB 1.305 39.949 38.487 0.261 0.000 1.088 194 N HN 0.856 nan 8.380 nan 0.000 0.478 195 S N 3.796 119.564 115.700 0.114 0.000 2.474 195 S HA -0.065 4.405 4.470 -0.000 0.000 0.235 195 S C 1.782 176.429 174.600 0.079 0.000 0.997 195 S CA 0.458 58.705 58.200 0.079 0.000 0.949 195 S CB -0.065 63.176 63.200 0.068 0.000 0.766 195 S HN 0.636 nan 8.310 nan 0.000 0.517 196 I N 2.470 123.096 120.570 0.093 0.000 2.499 196 I HA -0.011 4.159 4.170 -0.000 0.000 0.243 196 I C 2.129 178.279 176.117 0.055 0.000 1.085 196 I CA 1.065 62.413 61.300 0.080 0.000 1.422 196 I CB -0.320 37.739 38.000 0.099 0.000 1.165 196 I HN 0.402 nan 8.210 nan 0.000 0.440 197 N N 0.838 119.567 118.700 0.048 0.000 2.299 197 N HA 0.092 4.832 4.740 -0.000 0.000 0.187 197 N C 1.326 176.857 175.510 0.036 0.000 1.099 197 N CA 0.757 53.824 53.050 0.028 0.000 0.867 197 N CB 0.432 38.919 38.487 0.001 0.000 0.974 197 N HN 0.362 nan 8.380 nan 0.000 0.477 198 G N -0.034 108.800 108.800 0.056 0.000 2.184 198 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 198 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 198 G C -0.319 174.623 174.900 0.069 0.000 0.975 198 G CA 0.302 45.436 45.100 0.057 0.000 0.642 198 G HN 0.473 nan 8.290 nan 0.000 0.536 199 K N 1.009 121.458 120.400 0.082 0.000 2.322 199 K HA 0.576 4.896 4.320 -0.000 0.000 0.283 199 K C 0.890 177.595 176.600 0.175 0.000 1.042 199 K CA 0.159 56.504 56.287 0.096 0.000 0.958 199 K CB 1.129 33.667 32.500 0.063 0.000 0.984 199 K HN 0.524 nan 8.250 nan 0.000 0.473 200 A N 3.162 126.083 122.820 0.168 0.000 2.511 200 A HA -0.040 4.280 4.320 -0.000 0.000 0.242 200 A C 0.400 178.202 177.584 0.364 0.000 1.069 200 A CA -0.028 52.144 52.037 0.225 0.000 0.763 200 A CB -0.025 19.079 19.000 0.172 0.000 1.001 200 A HN 0.736 nan 8.150 nan 0.000 0.498 201 Y N 2.246 122.658 120.300 0.186 0.000 2.207 201 Y HA -0.206 4.344 4.550 0.000 0.000 0.287 201 Y C 2.615 178.772 175.900 0.429 0.000 1.156 201 Y CA 2.031 60.299 58.100 0.280 0.000 1.182 201 Y CB -0.948 37.728 38.460 0.360 0.000 0.979 201 Y HN 0.609 nan 8.280 nan 0.000 0.521 202 V N -2.406 117.858 119.914 0.582 0.000 2.913 202 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 202 V C 1.178 177.605 176.094 0.555 0.000 1.098 202 V CA 2.168 64.843 62.300 0.626 0.000 1.121 202 V CB -0.356 31.712 31.823 0.407 0.000 0.714 202 V HN 0.181 nan 8.190 nan 0.000 0.487 203 D N -0.122 120.521 120.400 0.404 0.000 2.349 203 D HA 0.130 4.770 4.640 -0.000 0.000 0.214 203 D C 0.303 176.674 176.300 0.119 0.000 1.063 203 D CA 0.399 54.587 54.000 0.313 0.000 0.847 203 D CB 0.123 41.029 40.800 0.177 0.000 0.933 203 D HN 0.520 nan 8.370 nan 0.000 0.513 204 D N 0.449 120.928 120.400 0.132 0.000 2.347 204 D HA 0.277 4.916 4.640 -0.000 0.000 0.235 204 D C 0.896 177.039 176.300 -0.262 0.000 1.149 204 D CA -0.395 53.545 54.000 -0.100 0.000 0.850 204 D CB 1.307 42.048 40.800 -0.097 0.000 1.061 204 D HN -0.081 nan 8.370 nan 0.000 0.487 205 A N 3.021 125.477 122.820 -0.608 0.000 2.209 205 A HA -0.069 4.251 4.320 -0.000 0.000 0.212 205 A C 1.940 179.303 177.584 -0.367 0.000 1.158 205 A CA 0.902 52.496 52.037 -0.738 0.000 0.742 205 A CB -0.256 18.254 19.000 -0.816 0.000 0.790 205 A HN 0.597 nan 8.150 nan 0.000 0.472 206 T N 0.417 114.797 114.554 -0.290 0.000 2.833 206 T HA -0.006 4.344 4.350 -0.000 0.000 0.269 206 T C 0.764 175.313 174.700 -0.251 0.000 1.054 206 T CA 0.721 62.676 62.100 -0.243 0.000 1.135 206 T CB -0.405 68.324 68.868 -0.232 0.000 0.869 206 T HN 0.428 nan 8.240 nan 0.000 0.466 207 I N 2.114 122.511 120.570 -0.288 0.000 2.363 207 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 207 I C 1.434 177.390 176.117 -0.268 0.000 1.075 207 I CA -0.142 60.907 61.300 -0.419 0.000 1.333 207 I CB 0.985 38.478 38.000 -0.845 0.000 1.415 207 I HN 0.164 nan 8.210 nan 0.000 0.502 208 M N 4.353 123.817 119.600 -0.227 0.000 2.160 208 M HA -0.007 4.473 4.480 -0.000 0.000 0.264 208 M C 0.623 176.877 176.300 -0.076 0.000 1.073 208 M CA 1.579 56.796 55.300 -0.139 0.000 1.142 208 M CB 0.392 32.891 32.600 -0.169 0.000 1.358 208 M HN 0.569 nan 8.290 nan 0.000 0.422 209 S N -1.181 114.432 115.700 -0.146 0.000 2.533 209 S HA 0.384 4.854 4.470 -0.000 0.000 0.271 209 S C -2.068 172.484 174.600 -0.079 0.000 1.143 209 S CA -0.870 57.326 58.200 -0.006 0.000 0.891 209 S CB 0.708 64.115 63.200 0.344 0.000 1.105 209 S HN 0.426 nan 8.310 nan 0.000 0.468 210 W N 2.448 123.879 121.300 0.218 0.000 2.261 210 W HA 0.570 5.230 4.660 0.000 0.000 0.323 210 W C 0.525 177.235 176.519 0.319 0.000 1.243 210 W CA -0.435 57.092 57.345 0.303 0.000 1.210 210 W CB 0.618 30.305 29.460 0.378 0.000 1.149 210 W HN 0.610 nan 8.180 nan 0.000 0.562 211 Q N 2.590 122.768 119.800 0.630 0.000 2.323 211 Q HA 0.254 4.594 4.340 -0.000 0.000 0.271 211 Q C 0.347 176.708 176.000 0.602 0.000 1.048 211 Q CA -0.565 55.542 55.803 0.507 0.000 0.792 211 Q CB 1.758 30.773 28.738 0.460 0.000 1.280 211 Q HN 0.660 nan 8.270 nan 0.000 0.441 212 L N 1.539 123.054 121.223 0.486 0.000 2.012 212 L HA 0.070 4.410 4.340 -0.000 0.000 0.210 212 L C 0.729 178.015 176.870 0.694 0.000 1.073 212 L CA 1.489 56.660 54.840 0.552 0.000 0.748 212 L CB -0.320 41.917 42.059 0.298 0.000 0.891 212 L HN 0.716 nan 8.230 nan 0.000 0.431 213 A N -1.203 121.954 122.820 0.562 0.000 2.566 213 A HA 0.417 4.737 4.320 -0.000 0.000 0.290 213 A C -1.326 176.449 177.584 0.320 0.000 1.071 213 A CA -0.638 51.681 52.037 0.471 0.000 0.658 213 A CB 0.690 19.924 19.000 0.391 0.000 1.285 213 A HN 0.069 nan 8.150 nan 0.000 0.427 214 N N 1.204 120.016 118.700 0.186 0.000 2.401 214 N HA 0.349 5.089 4.740 -0.000 0.000 0.255 214 N C -0.329 175.291 175.510 0.183 0.000 1.110 214 N CA 0.766 53.837 53.050 0.036 0.000 0.949 214 N CB -0.238 38.208 38.487 -0.070 0.000 1.110 214 N HN 0.618 nan 8.380 nan 0.000 0.490 215 E N 0.412 120.754 120.200 0.237 0.000 2.320 215 E HA -0.170 4.180 4.350 -0.000 0.000 0.234 215 E C -2.211 174.378 176.600 -0.018 0.000 1.183 215 E CA 0.059 56.568 56.400 0.180 0.000 0.713 215 E CB -1.273 28.690 29.700 0.437 0.000 1.226 215 E HN 0.617 nan 8.360 nan 0.000 0.382 216 P HA 0.019 nan 4.420 nan 0.000 0.267 216 P C -0.181 177.067 177.300 -0.088 0.000 1.205 216 P CA 0.723 63.871 63.100 0.080 0.000 0.765 216 P CB 0.630 32.569 31.700 0.398 0.000 0.828 217 R N 4.019 124.066 120.500 -0.756 0.000 2.854 217 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 217 R C -1.830 174.137 176.300 -0.554 0.000 0.996 217 R CA -2.048 53.575 56.100 -0.795 0.000 0.961 217 R CB 1.048 30.687 30.300 -1.101 0.000 1.182 217 R HN 0.171 nan 8.270 nan 0.000 0.479 218 P HA 0.032 nan 4.420 nan 0.000 0.229 218 P C 0.026 177.320 177.300 -0.011 0.000 1.160 218 P CA 0.627 63.476 63.100 -0.418 0.000 0.777 218 P CB 0.466 31.842 31.700 -0.540 0.000 0.814 219 G N -1.008 107.787 108.800 -0.008 0.000 2.356 219 G HA2 0.068 4.028 3.960 -0.000 0.000 0.266 219 G HA3 0.068 4.028 3.960 -0.000 0.000 0.266 219 G C -1.318 173.649 174.900 0.111 0.000 1.312 219 G CA -0.329 44.836 45.100 0.109 0.000 0.922 219 G HN 0.242 nan 8.290 nan 0.000 0.480 220 N N -0.754 118.014 118.700 0.114 0.000 2.514 220 N HA 0.480 5.220 4.740 -0.000 0.000 0.299 220 N C 1.336 176.892 175.510 0.076 0.000 1.292 220 N CA 0.540 53.669 53.050 0.132 0.000 0.963 220 N CB 0.259 38.836 38.487 0.149 0.000 1.124 220 N HN 0.385 nan 8.380 nan 0.000 0.580 221 S N -1.396 114.353 115.700 0.082 0.000 2.442 221 S HA -0.076 4.394 4.470 -0.000 0.000 0.236 221 S C 0.756 175.379 174.600 0.037 0.000 1.007 221 S CA 0.877 59.108 58.200 0.052 0.000 0.965 221 S CB -0.392 62.845 63.200 0.061 0.000 0.773 221 S HN 0.542 nan 8.310 nan 0.000 0.504 222 Q N 1.018 120.843 119.800 0.042 0.000 2.225 222 Q HA 0.176 4.516 4.340 -0.000 0.000 0.259 222 Q C -0.529 175.485 176.000 0.024 0.000 0.872 222 Q CA -0.159 55.662 55.803 0.031 0.000 1.042 222 Q CB 0.510 29.269 28.738 0.035 0.000 1.142 222 Q HN 0.199 nan 8.270 nan 0.000 0.463 223 T N 2.162 116.727 114.554 0.018 0.000 2.902 223 T HA 0.040 4.390 4.350 -0.000 0.000 0.301 223 T C 0.717 175.421 174.700 0.007 0.000 1.012 223 T CA 0.198 62.304 62.100 0.010 0.000 1.151 223 T CB 0.669 69.530 68.868 -0.011 0.000 0.946 223 T HN 0.355 nan 8.240 nan 0.000 0.542 224 T N 0.452 115.012 114.554 0.011 0.000 2.816 224 T HA 0.532 4.881 4.350 -0.000 0.000 0.282 224 T C 1.746 176.451 174.700 0.007 0.000 0.993 224 T CA -0.509 61.597 62.100 0.010 0.000 0.994 224 T CB 0.889 69.764 68.868 0.012 0.000 1.025 224 T HN 0.515 nan 8.240 nan 0.000 0.529 225 A N 0.023 122.847 122.820 0.007 0.000 1.908 225 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 225 A C 2.297 179.887 177.584 0.010 0.000 1.181 225 A CA 1.928 53.969 52.037 0.007 0.000 0.627 225 A CB -1.184 17.820 19.000 0.007 0.000 0.818 225 A HN 1.046 nan 8.150 nan 0.000 0.445 226 E N -0.103 120.104 120.200 0.011 0.000 2.085 226 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 226 E C 1.866 178.478 176.600 0.021 0.000 0.994 226 E CA 1.522 57.930 56.400 0.013 0.000 0.801 226 E CB -0.161 29.546 29.700 0.012 0.000 0.743 226 E HN 0.758 nan 8.360 nan 0.000 0.453 227 E N 0.263 120.478 120.200 0.025 0.000 2.106 227 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 227 E C 2.100 178.725 176.600 0.042 0.000 0.984 227 E CA 0.999 57.424 56.400 0.042 0.000 0.806 227 E CB 0.080 29.805 29.700 0.041 0.000 0.750 227 E HN 0.189 nan 8.360 nan 0.000 0.458 228 K N 0.479 120.891 120.400 0.019 0.000 2.057 228 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 228 K C 2.268 178.899 176.600 0.052 0.000 1.049 228 K CA 1.290 57.590 56.287 0.021 0.000 0.931 228 K CB -0.062 32.441 32.500 0.006 0.000 0.714 228 K HN -0.060 nan 8.250 nan 0.000 0.440 229 Q N 1.247 121.061 119.800 0.023 0.000 2.119 229 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 229 Q C 1.771 177.763 176.000 -0.013 0.000 0.972 229 Q CA 1.332 57.134 55.803 -0.003 0.000 0.847 229 Q CB -0.110 28.624 28.738 -0.006 0.000 0.903 229 Q HN 0.295 nan 8.270 nan 0.000 0.433 230 I N -0.435 120.144 120.570 0.016 0.000 2.208 230 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 230 I C 1.972 178.081 176.117 -0.013 0.000 1.097 230 I CA 1.509 62.821 61.300 0.020 0.000 1.363 230 I CB -0.387 37.648 38.000 0.058 0.000 1.051 230 I HN 0.301 nan 8.210 nan 0.000 0.413 231 Y N 1.553 121.740 120.300 -0.189 0.000 2.145 231 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 231 Y C 2.370 178.145 175.900 -0.208 0.000 1.145 231 Y CA 1.646 59.536 58.100 -0.350 0.000 1.148 231 Y CB -0.237 38.037 38.460 -0.309 0.000 0.981 231 Y HN 0.000 nan 8.280 nan 0.000 0.507 232 I N 0.382 120.890 120.570 -0.104 0.000 2.151 232 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 232 I C 1.875 177.638 176.117 -0.591 0.000 1.080 232 I CA 1.829 62.923 61.300 -0.344 0.000 1.339 232 I CB -0.450 37.407 38.000 -0.238 0.000 1.039 232 I HN 0.255 nan 8.210 nan 0.000 0.409 233 D N -0.438 119.749 120.400 -0.355 0.000 2.178 233 D HA -0.217 4.423 4.640 -0.000 0.000 0.202 233 D C 1.647 177.850 176.300 -0.162 0.000 0.974 233 D CA 0.904 54.743 54.000 -0.268 0.000 0.841 233 D CB -0.326 40.409 40.800 -0.108 0.000 0.953 233 D HN 0.473 nan 8.370 nan 0.000 0.478 234 W N 1.540 122.646 121.300 -0.323 0.000 2.355 234 W HA -0.204 4.456 4.660 -0.000 0.000 0.309 234 W C 2.022 178.391 176.519 -0.250 0.000 1.206 234 W CA 1.202 58.383 57.345 -0.273 0.000 1.284 234 W CB -0.395 28.830 29.460 -0.392 0.000 1.145 234 W HN -0.236 nan 8.180 nan 0.000 0.502 235 V N 0.507 120.157 119.914 -0.439 0.000 2.295 235 V HA -0.370 3.750 4.120 -0.000 0.000 0.246 235 V C 2.285 178.182 176.094 -0.328 0.000 1.049 235 V CA 2.468 64.429 62.300 -0.565 0.000 1.024 235 V CB -1.351 30.159 31.823 -0.523 0.000 0.648 235 V HN 0.312 nan 8.190 nan 0.000 0.447 236 H N -0.114 118.759 119.070 -0.329 0.000 2.319 236 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 236 H C 2.330 177.533 175.328 -0.209 0.000 1.092 236 H CA 1.197 57.108 56.048 -0.230 0.000 1.302 236 H CB -0.041 29.626 29.762 -0.159 0.000 1.373 236 H HN 0.488 nan 8.280 nan 0.000 0.497 237 A N 1.031 123.800 122.820 -0.084 0.000 1.929 237 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 237 A C 2.528 180.034 177.584 -0.130 0.000 1.176 237 A CA 1.095 53.079 52.037 -0.089 0.000 0.628 237 A CB -0.619 18.335 19.000 -0.077 0.000 0.816 237 A HN 0.447 nan 8.150 nan 0.000 0.444 238 A N -0.014 122.621 122.820 -0.309 0.000 1.898 238 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 238 A C 2.486 179.990 177.584 -0.134 0.000 1.181 238 A CA 1.869 53.748 52.037 -0.263 0.000 0.620 238 A CB -0.968 17.683 19.000 -0.582 0.000 0.819 238 A HN 0.970 nan 8.150 nan 0.000 0.442 239 A N -0.008 122.708 122.820 -0.173 0.000 1.902 239 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 239 A C 2.504 180.052 177.584 -0.061 0.000 1.181 239 A CA 2.127 54.110 52.037 -0.089 0.000 0.623 239 A CB -1.034 17.905 19.000 -0.100 0.000 0.818 239 A HN 1.055 nan 8.150 nan 0.000 0.443 240 A N -1.522 121.261 122.820 -0.061 0.000 1.902 240 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 240 A C 2.144 179.707 177.584 -0.034 0.000 1.181 240 A CA 1.729 53.737 52.037 -0.047 0.000 0.623 240 A CB -0.815 18.163 19.000 -0.036 0.000 0.818 240 A HN 0.747 nan 8.150 nan 0.000 0.443 241 Y N 0.558 120.785 120.300 -0.122 0.000 2.145 241 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 241 Y C 1.975 177.787 175.900 -0.146 0.000 1.145 241 Y CA 1.668 59.689 58.100 -0.131 0.000 1.148 241 Y CB -0.320 38.051 38.460 -0.150 0.000 0.981 241 Y HN 0.273 nan 8.280 nan 0.000 0.507 242 I N 0.147 120.567 120.570 -0.251 0.000 2.208 242 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 242 I C 2.164 178.137 176.117 -0.239 0.000 1.097 242 I CA 1.352 62.461 61.300 -0.319 0.000 1.363 242 I CB -0.389 37.525 38.000 -0.144 0.000 1.051 242 I HN 0.117 nan 8.210 nan 0.000 0.413 243 K N 0.489 120.802 120.400 -0.145 0.000 2.209 243 K HA -0.128 4.191 4.320 -0.000 0.000 0.204 243 K C 2.100 178.601 176.600 -0.165 0.000 1.048 243 K CA 1.840 58.059 56.287 -0.112 0.000 0.940 243 K CB -0.827 31.622 32.500 -0.084 0.000 0.729 243 K HN 0.513 nan 8.250 nan 0.000 0.451 244 T N -1.039 113.376 114.554 -0.231 0.000 2.915 244 T HA -0.015 4.335 4.350 -0.000 0.000 0.269 244 T C 1.992 176.545 174.700 -0.244 0.000 1.071 244 T CA 0.656 62.622 62.100 -0.224 0.000 1.132 244 T CB -0.173 68.561 68.868 -0.222 0.000 0.878 244 T HN 0.086 nan 8.240 nan 0.000 0.479 245 L N 0.150 121.175 121.223 -0.329 0.000 2.307 245 L HA 0.328 4.668 4.340 -0.000 0.000 0.211 245 L C 0.585 177.393 176.870 -0.104 0.000 1.099 245 L CA 0.464 55.149 54.840 -0.259 0.000 0.816 245 L CB 0.120 41.944 42.059 -0.392 0.000 0.952 245 L HN 0.278 nan 8.230 nan 0.000 0.455 246 D N -0.478 119.886 120.400 -0.061 0.000 2.354 246 D HA 0.242 4.882 4.640 -0.000 0.000 0.230 246 D C 0.206 176.509 176.300 0.004 0.000 1.361 246 D CA -0.112 53.943 54.000 0.091 0.000 0.992 246 D CB 1.673 42.679 40.800 0.344 0.000 1.409 246 D HN -0.004 nan 8.370 nan 0.000 0.573 247 A N 2.863 125.580 122.820 -0.172 0.000 2.235 247 A HA 0.029 4.349 4.320 -0.000 0.000 0.208 247 A C 0.843 178.117 177.584 -0.517 0.000 1.172 247 A CA 1.077 52.871 52.037 -0.405 0.000 0.786 247 A CB -0.195 18.435 19.000 -0.616 0.000 0.804 247 A HN 0.674 nan 8.150 nan 0.000 0.479 248 H N -2.356 116.667 119.070 -0.078 0.000 2.247 248 H HA 0.198 4.754 4.556 -0.000 0.000 0.267 248 H C 0.329 175.558 175.328 -0.164 0.000 0.952 248 H CA -0.238 55.633 56.048 -0.295 0.000 1.250 248 H CB -0.099 29.304 29.762 -0.598 0.000 1.441 248 H HN 0.383 nan 8.280 nan 0.000 0.553 249 H N 1.796 120.910 119.070 0.073 0.000 3.016 249 H HA -0.034 4.522 4.556 -0.000 0.000 0.345 249 H C 0.326 175.733 175.328 0.132 0.000 1.066 249 H CA 0.427 56.539 56.048 0.108 0.000 1.390 249 H CB 0.503 30.264 29.762 -0.001 0.000 1.344 249 H HN 0.165 nan 8.280 nan 0.000 0.605 250 L N 2.349 123.744 121.223 0.285 0.000 2.467 250 L HA 0.099 4.439 4.340 -0.000 0.000 0.270 250 L C 0.307 177.378 176.870 0.334 0.000 1.205 250 L CA -0.079 54.949 54.840 0.313 0.000 0.828 250 L CB 0.418 42.718 42.059 0.401 0.000 1.101 250 L HN 0.192 nan 8.230 nan 0.000 0.479 251 V N 1.284 121.378 119.914 0.300 0.000 2.588 251 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 251 V C -0.175 175.977 176.094 0.097 0.000 1.042 251 V CA -0.402 62.053 62.300 0.258 0.000 0.877 251 V CB 1.953 33.901 31.823 0.209 0.000 0.996 251 V HN 0.968 nan 8.190 nan 0.000 0.425 252 S N 1.791 117.524 115.700 0.056 0.000 2.667 252 S HA 0.550 5.020 4.470 -0.000 0.000 0.292 252 S C 0.715 175.367 174.600 0.088 0.000 1.126 252 S CA 0.074 58.201 58.200 -0.123 0.000 0.881 252 S CB 1.912 64.785 63.200 -0.545 0.000 1.132 252 S HN 0.898 nan 8.310 nan 0.000 0.492 253 S N -0.206 115.575 115.700 0.134 0.000 2.456 253 S HA 0.413 4.882 4.470 -0.000 0.000 0.224 253 S C 1.644 176.428 174.600 0.308 0.000 1.035 253 S CA 0.669 58.997 58.200 0.214 0.000 0.940 253 S CB -0.788 62.559 63.200 0.244 0.000 0.799 253 S HN 2.471 nan 8.310 nan 0.000 0.508 254 G N 1.127 110.114 108.800 0.313 0.000 2.141 254 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 254 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 254 G C 0.124 175.164 174.900 0.234 0.000 0.982 254 G CA 0.358 45.657 45.100 0.331 0.000 0.662 254 G HN 0.992 nan 8.290 nan 0.000 0.527 255 S N -0.352 115.513 115.700 0.275 0.000 2.568 255 S HA 0.309 4.779 4.470 -0.000 0.000 0.282 255 S C 1.512 176.046 174.600 -0.110 0.000 1.338 255 S CA 0.850 59.185 58.200 0.226 0.000 1.045 255 S CB 0.645 64.174 63.200 0.548 0.000 0.873 255 S HN 0.419 nan 8.310 nan 0.000 0.516 256 E N 2.433 122.535 120.200 -0.162 0.000 2.418 256 E HA 0.213 4.563 4.350 -0.000 0.000 0.197 256 E C 1.215 177.876 176.600 0.100 0.000 1.026 256 E CA 0.418 56.744 56.400 -0.123 0.000 0.862 256 E CB -0.183 29.637 29.700 0.200 0.000 0.799 256 E HN 0.911 nan 8.360 nan 0.000 0.518 257 G N 1.300 110.118 108.800 0.029 0.000 2.445 257 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.212 257 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.212 257 G C 0.493 175.320 174.900 -0.122 0.000 1.217 257 G CA -0.012 44.849 45.100 -0.398 0.000 1.002 257 G HN 0.228 nan 8.290 nan 0.000 0.574 258 E N -0.685 119.502 120.200 -0.022 0.000 2.097 258 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 258 E C 2.576 179.204 176.600 0.046 0.000 1.000 258 E CA 2.165 58.561 56.400 -0.007 0.000 0.804 258 E CB -0.163 29.489 29.700 -0.080 0.000 0.740 258 E HN 0.421 nan 8.360 nan 0.000 0.454 259 M N -0.445 119.206 119.600 0.085 0.000 2.296 259 M HA 0.018 4.498 4.480 -0.000 0.000 0.265 259 M C 1.617 177.851 176.300 -0.109 0.000 1.064 259 M CA 1.419 56.603 55.300 -0.194 0.000 1.109 259 M CB 0.175 32.265 32.600 -0.849 0.000 1.396 259 M HN 0.140 nan 8.290 nan 0.000 0.430 260 G N -1.819 106.987 108.800 0.011 0.000 3.233 260 G HA2 0.141 4.101 3.960 -0.000 0.000 0.227 260 G HA3 0.141 4.101 3.960 -0.000 0.000 0.227 260 G C 0.435 175.295 174.900 -0.068 0.000 1.175 260 G CA 0.051 45.149 45.100 -0.004 0.000 0.781 260 G HN 0.433 nan 8.290 nan 0.000 0.542 261 S N 0.190 115.863 115.700 -0.046 0.000 2.902 261 S HA 0.227 4.697 4.470 -0.000 0.000 0.250 261 S C 0.742 175.288 174.600 -0.091 0.000 1.046 261 S CA -0.178 57.983 58.200 -0.064 0.000 1.069 261 S CB 0.960 64.244 63.200 0.140 0.000 0.967 261 S HN 0.596 nan 8.310 nan 0.000 0.530 262 V N 1.017 120.861 119.914 -0.117 0.000 4.935 262 V HA -0.280 3.840 4.120 -0.000 0.000 0.273 262 V C 0.545 176.613 176.094 -0.044 0.000 0.517 262 V CA 0.558 62.812 62.300 -0.077 0.000 0.745 262 V CB -2.564 29.215 31.823 -0.075 0.000 0.647 262 V HN 0.827 nan 8.190 nan 0.000 1.220 263 N N 0.166 118.841 118.700 -0.042 0.000 2.727 263 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 263 N C -0.185 175.319 175.510 -0.009 0.000 1.048 263 N CA 1.626 54.664 53.050 -0.021 0.000 0.714 263 N CB -0.424 38.052 38.487 -0.018 0.000 0.959 263 N HN 1.043 nan 8.380 nan 0.000 0.544 264 D N 0.339 120.738 120.400 -0.001 0.000 2.389 264 D HA 0.213 4.853 4.640 -0.000 0.000 0.256 264 D C 1.105 177.429 176.300 0.039 0.000 1.239 264 D CA -0.552 53.454 54.000 0.010 0.000 0.925 264 D CB 0.660 41.466 40.800 0.009 0.000 1.145 264 D HN 0.003 nan 8.370 nan 0.000 0.542 265 M N 2.915 122.522 119.600 0.011 0.000 2.279 265 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 265 M C 1.641 178.002 176.300 0.100 0.000 1.062 265 M CA 1.689 57.003 55.300 0.023 0.000 1.099 265 M CB -0.096 32.457 32.600 -0.078 0.000 1.394 265 M HN 0.359 nan 8.290 nan 0.000 0.426 266 Q N -0.710 119.129 119.800 0.065 0.000 2.170 266 Q HA -0.075 4.264 4.340 -0.000 0.000 0.203 266 Q C 1.795 177.857 176.000 0.103 0.000 0.976 266 Q CA 1.662 57.507 55.803 0.071 0.000 0.858 266 Q CB -0.382 28.379 28.738 0.039 0.000 0.907 266 Q HN 0.455 nan 8.270 nan 0.000 0.433 267 V N 0.203 120.187 119.914 0.118 0.000 2.358 267 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 267 V C 1.898 178.143 176.094 0.252 0.000 1.047 267 V CA 1.824 64.213 62.300 0.148 0.000 1.035 267 V CB -0.721 31.167 31.823 0.108 0.000 0.658 267 V HN 0.417 nan 8.190 nan 0.000 0.452 268 F N 0.563 120.603 119.950 0.149 0.000 2.095 268 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 268 F C 2.103 178.065 175.800 0.271 0.000 1.104 268 F CA 1.767 59.908 58.000 0.234 0.000 1.232 268 F CB -0.249 38.806 39.000 0.091 0.000 0.987 268 F HN 0.050 nan 8.300 nan 0.000 0.475 269 I N 0.212 120.888 120.570 0.177 0.000 2.127 269 I HA -0.333 3.836 4.170 -0.000 0.000 0.241 269 I C 2.084 178.231 176.117 0.050 0.000 1.075 269 I CA 1.741 63.080 61.300 0.066 0.000 1.334 269 I CB -0.626 37.425 38.000 0.085 0.000 1.040 269 I HN 0.089 nan 8.210 nan 0.000 0.405 270 D N 1.000 121.447 120.400 0.079 0.000 2.117 270 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 270 D C 2.226 178.597 176.300 0.118 0.000 0.987 270 D CA 1.590 55.641 54.000 0.084 0.000 0.829 270 D CB -0.277 40.559 40.800 0.060 0.000 0.961 270 D HN 0.365 nan 8.370 nan 0.000 0.460 271 A N 0.131 122.971 122.820 0.034 0.000 1.972 271 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 271 A C 1.305 178.743 177.584 -0.244 0.000 1.169 271 A CA 1.392 53.341 52.037 -0.148 0.000 0.635 271 A CB -0.632 18.230 19.000 -0.230 0.000 0.810 271 A HN 0.312 nan 8.150 nan 0.000 0.446 272 H N -1.642 117.343 119.070 -0.140 0.000 2.594 272 H HA 0.503 5.059 4.556 -0.000 0.000 0.279 272 H C 1.701 176.946 175.328 -0.138 0.000 1.042 272 H CA 0.386 56.312 56.048 -0.203 0.000 1.177 272 H CB 0.306 29.795 29.762 -0.456 0.000 1.524 272 H HN 0.464 nan 8.280 nan 0.000 0.537 273 A N 0.294 123.110 122.820 -0.006 0.000 2.206 273 A HA -0.039 4.281 4.320 -0.000 0.000 0.211 273 A C 1.440 178.942 177.584 -0.137 0.000 1.158 273 A CA 0.589 52.599 52.037 -0.045 0.000 0.761 273 A CB -0.289 18.704 19.000 -0.011 0.000 0.801 273 A HN 0.329 nan 8.150 nan 0.000 0.473 274 T N 0.473 114.868 114.554 -0.265 0.000 2.919 274 T HA 0.275 4.625 4.350 -0.000 0.000 0.302 274 T C -1.192 173.403 174.700 -0.175 0.000 1.031 274 T CA -1.256 60.637 62.100 -0.344 0.000 1.127 274 T CB 0.893 69.416 68.868 -0.574 0.000 0.952 274 T HN 0.134 nan 8.240 nan 0.000 0.540 275 P HA 0.015 nan 4.420 nan 0.000 0.228 275 P C 0.559 177.822 177.300 -0.062 0.000 1.151 275 P CA 0.703 63.756 63.100 -0.079 0.000 0.770 275 P CB 0.212 31.870 31.700 -0.070 0.000 0.786 276 D N -0.578 119.768 120.400 -0.090 0.000 2.363 276 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 276 D C 0.751 177.033 176.300 -0.030 0.000 0.994 276 D CA 0.522 54.487 54.000 -0.059 0.000 0.890 276 D CB 0.220 40.971 40.800 -0.081 0.000 0.906 276 D HN 0.194 nan 8.370 nan 0.000 0.530 277 I N 1.992 122.536 120.570 -0.044 0.000 2.297 277 I HA 0.032 4.202 4.170 -0.000 0.000 0.291 277 I C 1.016 177.158 176.117 0.041 0.000 1.033 277 I CA -0.135 61.160 61.300 -0.010 0.000 1.253 277 I CB 1.414 39.395 38.000 -0.031 0.000 1.396 277 I HN -0.215 nan 8.210 nan 0.000 0.476 278 D N 5.931 126.394 120.400 0.105 0.000 2.213 278 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 278 D C 0.053 176.531 176.300 0.296 0.000 0.961 278 D CA 1.416 55.537 54.000 0.202 0.000 0.853 278 D CB 0.491 41.476 40.800 0.308 0.000 0.967 278 D HN 0.610 nan 8.370 nan 0.000 0.496 279 Y N -1.334 119.082 120.300 0.192 0.000 2.655 279 Y HA 0.565 5.115 4.550 -0.000 0.000 0.336 279 Y C -1.451 174.585 175.900 0.226 0.000 1.154 279 Y CA -1.374 56.842 58.100 0.192 0.000 1.055 279 Y CB 0.775 39.414 38.460 0.298 0.000 1.295 279 Y HN -0.365 nan 8.280 nan 0.000 0.465 280 L N 2.233 123.643 121.223 0.312 0.000 2.344 280 L HA 0.756 5.096 4.340 -0.000 0.000 0.272 280 L C -0.193 176.925 176.870 0.413 0.000 1.035 280 L CA -0.893 54.092 54.840 0.243 0.000 0.807 280 L CB 2.224 44.431 42.059 0.247 0.000 1.237 280 L HN 0.942 nan 8.230 nan 0.000 0.442 281 T N -1.243 113.543 114.554 0.387 0.000 2.887 281 T HA 0.675 5.025 4.350 -0.000 0.000 0.288 281 T C -0.860 174.146 174.700 0.509 0.000 1.021 281 T CA -0.682 61.707 62.100 0.483 0.000 1.000 281 T CB 1.662 70.793 68.868 0.438 0.000 1.034 281 T HN 0.576 nan 8.240 nan 0.000 0.467 282 Y N -0.752 119.696 120.300 0.247 0.000 2.588 282 Y HA 0.759 5.309 4.550 -0.000 0.000 0.343 282 Y C -0.926 175.196 175.900 0.371 0.000 1.065 282 Y CA -1.427 56.742 58.100 0.114 0.000 1.038 282 Y CB 1.546 39.850 38.460 -0.259 0.000 1.297 282 Y HN 0.832 nan 8.280 nan 0.000 0.467 283 H N 2.813 121.936 119.070 0.088 0.000 2.797 283 H HA 0.653 5.209 4.556 -0.000 0.000 0.372 283 H C -1.085 174.139 175.328 -0.174 0.000 1.168 283 H CA -1.506 54.482 56.048 -0.099 0.000 1.163 283 H CB 2.561 32.366 29.762 0.071 0.000 1.778 283 H HN 0.519 nan 8.280 nan 0.000 0.551 284 M N 1.887 121.184 119.600 -0.506 0.000 2.263 284 M HA 0.154 4.634 4.480 -0.000 0.000 0.295 284 M C -1.636 173.781 176.300 -1.471 0.000 1.028 284 M CA -0.284 54.522 55.300 -0.825 0.000 0.921 284 M CB 2.539 34.917 32.600 -0.370 0.000 1.601 284 M HN 0.585 nan 8.290 nan 0.000 0.440 285 W N 4.679 124.853 121.300 -1.877 0.000 2.104 285 W HA 0.325 4.985 4.660 -0.000 0.000 0.291 285 W C 1.155 176.762 176.519 -1.521 0.000 0.936 285 W CA -0.659 55.751 57.345 -1.559 0.000 1.856 285 W CB 0.606 29.163 29.460 -1.505 0.000 2.036 285 W HN 0.689 nan 8.180 nan 0.000 0.393 286 I N -1.138 119.017 120.570 -0.693 0.000 2.361 286 I HA -0.200 3.969 4.170 -0.000 0.000 0.251 286 I C 2.476 178.522 176.117 -0.118 0.000 1.133 286 I CA 1.165 62.231 61.300 -0.388 0.000 1.413 286 I CB -0.116 37.855 38.000 -0.048 0.000 1.073 286 I HN 0.253 nan 8.210 nan 0.000 0.424 287 R N 2.005 122.487 120.500 -0.030 0.000 2.062 287 R HA -0.090 4.249 4.340 -0.000 0.000 0.226 287 R C 1.873 178.172 176.300 -0.001 0.000 1.125 287 R CA 1.976 58.165 56.100 0.148 0.000 0.966 287 R CB -0.608 29.860 30.300 0.279 0.000 0.861 287 R HN 0.445 nan 8.270 nan 0.000 0.433 288 N N -0.166 118.455 118.700 -0.132 0.000 2.205 288 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 288 N C 1.030 176.522 175.510 -0.030 0.000 1.015 288 N CA 1.313 54.254 53.050 -0.182 0.000 0.862 288 N CB -0.288 37.983 38.487 -0.358 0.000 0.986 288 N HN 0.301 nan 8.380 nan 0.000 0.429 289 W N 0.601 121.731 121.300 -0.283 0.000 3.180 289 W HA 0.314 4.973 4.660 -0.000 0.000 0.254 289 W C 0.530 176.907 176.519 -0.238 0.000 1.318 289 W CA -0.290 56.809 57.345 -0.411 0.000 1.608 289 W CB -1.109 27.788 29.460 -0.938 0.000 1.124 289 W HN -0.089 nan 8.180 nan 0.000 0.694 290 S N -1.965 113.794 115.700 0.098 0.000 3.382 290 S HA -0.208 4.262 4.470 -0.000 0.000 0.293 290 S C 0.835 175.645 174.600 0.350 0.000 1.262 290 S CA 1.078 59.384 58.200 0.176 0.000 0.969 290 S CB -1.830 61.458 63.200 0.146 0.000 1.136 290 S HN 0.370 nan 8.310 nan 0.000 0.635 291 W N 0.137 121.545 121.300 0.181 0.000 2.436 291 W HA 0.434 5.094 4.660 -0.000 0.000 0.284 291 W C 0.862 177.500 176.519 0.197 0.000 1.225 291 W CA 0.079 57.522 57.345 0.163 0.000 1.271 291 W CB -0.382 29.180 29.460 0.170 0.000 1.114 291 W HN 0.486 nan 8.180 nan 0.000 0.559 292 F N 1.503 121.604 119.950 0.251 0.000 2.507 292 F HA 0.308 4.835 4.527 -0.000 0.000 0.325 292 F C -0.682 175.159 175.800 0.068 0.000 1.116 292 F CA -1.325 56.765 58.000 0.150 0.000 0.930 292 F CB 1.150 40.233 39.000 0.138 0.000 1.146 292 F HN -0.397 nan 8.300 nan 0.000 0.447 293 D N 5.439 125.529 120.400 -0.516 0.000 2.392 293 D HA 0.156 4.796 4.640 -0.000 0.000 0.228 293 D C 0.650 176.496 176.300 -0.757 0.000 1.074 293 D CA -0.400 53.341 54.000 -0.431 0.000 0.838 293 D CB 1.413 42.048 40.800 -0.275 0.000 1.067 293 D HN 0.771 nan 8.370 nan 0.000 0.511 294 K N 1.273 121.422 120.400 -0.417 0.000 2.360 294 K HA -0.123 4.197 4.320 -0.000 0.000 0.201 294 K C 1.138 177.563 176.600 -0.293 0.000 1.046 294 K CA 1.355 57.468 56.287 -0.290 0.000 0.945 294 K CB -0.202 32.285 32.500 -0.021 0.000 0.750 294 K HN 0.335 nan 8.250 nan 0.000 0.464 295 T N -1.828 112.568 114.554 -0.265 0.000 3.060 295 T HA 0.175 4.525 4.350 -0.000 0.000 0.249 295 T C 0.667 175.238 174.700 -0.215 0.000 1.079 295 T CA -0.302 61.677 62.100 -0.202 0.000 1.013 295 T CB 0.106 68.891 68.868 -0.139 0.000 0.975 295 T HN 0.163 nan 8.240 nan 0.000 0.518 296 K N 1.742 121.962 120.400 -0.300 0.000 3.253 296 K HA 0.266 4.586 4.320 -0.000 0.000 0.174 296 K C -2.295 174.075 176.600 -0.385 0.000 1.071 296 K CA -1.678 54.455 56.287 -0.257 0.000 0.836 296 K CB 1.846 34.241 32.500 -0.175 0.000 0.922 296 K HN 0.108 nan 8.250 nan 0.000 0.565 297 P HA -0.172 nan 4.420 nan 0.000 0.216 297 P C 1.260 178.408 177.300 -0.253 0.000 1.153 297 P CA 1.105 63.753 63.100 -0.753 0.000 0.844 297 P CB 0.370 31.336 31.700 -1.223 0.000 0.787 298 A N 0.448 123.231 122.820 -0.061 0.000 1.933 298 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 298 A C 2.137 179.822 177.584 0.168 0.000 1.175 298 A CA 1.805 53.966 52.037 0.206 0.000 0.628 298 A CB -1.230 17.879 19.000 0.181 0.000 0.814 298 A HN 0.137 nan 8.150 nan 0.000 0.444 299 E N -0.609 119.624 120.200 0.054 0.000 2.152 299 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 299 E C 2.079 178.717 176.600 0.064 0.000 0.983 299 E CA 1.724 58.152 56.400 0.046 0.000 0.818 299 E CB -0.216 29.480 29.700 -0.007 0.000 0.758 299 E HN 0.808 nan 8.360 nan 0.000 0.467 300 T N -2.729 111.853 114.554 0.047 0.000 3.014 300 T HA -0.030 4.320 4.350 -0.000 0.000 0.250 300 T C 1.492 176.351 174.700 0.265 0.000 1.060 300 T CA -0.349 61.799 62.100 0.080 0.000 1.040 300 T CB -0.357 68.487 68.868 -0.040 0.000 0.971 300 T HN 0.388 nan 8.240 nan 0.000 0.497 301 W N 3.096 124.530 121.300 0.222 0.000 2.335 301 W HA -0.058 4.602 4.660 -0.000 0.000 0.311 301 W C -1.777 174.931 176.519 0.316 0.000 1.213 301 W CA 1.118 58.700 57.345 0.395 0.000 1.274 301 W CB -1.208 28.530 29.460 0.464 0.000 1.148 301 W HN 0.268 nan 8.180 nan 0.000 0.498 302 P HA -0.237 nan 4.420 nan 0.000 0.215 302 P C 2.205 179.427 177.300 -0.129 0.000 1.157 302 P CA 3.376 66.399 63.100 -0.129 0.000 0.874 302 P CB -0.432 31.295 31.700 0.045 0.000 0.790 303 S N -0.653 115.016 115.700 -0.052 0.000 2.387 303 S HA -0.073 4.397 4.470 -0.000 0.000 0.226 303 S C 2.092 176.626 174.600 -0.111 0.000 1.026 303 S CA 1.117 59.271 58.200 -0.076 0.000 0.972 303 S CB -1.332 61.846 63.200 -0.036 0.000 0.814 303 S HN 0.091 nan 8.310 nan 0.000 0.477 304 A N 1.524 124.342 122.820 -0.003 0.000 1.902 304 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 304 A C 2.048 179.597 177.584 -0.059 0.000 1.181 304 A CA 1.289 53.389 52.037 0.105 0.000 0.623 304 A CB -1.480 17.744 19.000 0.373 0.000 0.818 304 A HN 0.879 nan 8.150 nan 0.000 0.443 305 W N 0.663 121.628 121.300 -0.558 0.000 2.388 305 W HA -0.149 4.511 4.660 -0.000 0.000 0.294 305 W C 1.880 178.233 176.519 -0.276 0.000 1.212 305 W CA 1.651 58.640 57.345 -0.594 0.000 1.271 305 W CB -0.105 28.706 29.460 -1.082 0.000 1.126 305 W HN 0.610 nan 8.180 nan 0.000 0.535 306 E N 0.861 120.832 120.200 -0.382 0.000 2.058 306 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 306 E C 2.130 178.471 176.600 -0.431 0.000 0.997 306 E CA 1.836 58.001 56.400 -0.391 0.000 0.801 306 E CB -0.168 29.392 29.700 -0.234 0.000 0.746 306 E HN 0.200 nan 8.360 nan 0.000 0.450 307 K N -0.044 120.075 120.400 -0.468 0.000 2.097 307 K HA -0.089 4.230 4.320 -0.000 0.000 0.205 307 K C 2.179 178.524 176.600 -0.425 0.000 1.050 307 K CA 0.946 56.827 56.287 -0.676 0.000 0.938 307 K CB -0.107 31.543 32.500 -1.417 0.000 0.718 307 K HN 0.136 nan 8.250 nan 0.000 0.442 308 A N 2.358 125.056 122.820 -0.204 0.000 1.877 308 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 308 A C 2.229 179.709 177.584 -0.174 0.000 1.186 308 A CA 1.693 53.770 52.037 0.066 0.000 0.620 308 A CB -0.631 18.472 19.000 0.171 0.000 0.822 308 A HN 0.490 nan 8.150 nan 0.000 0.443 309 Q N -0.808 118.612 119.800 -0.634 0.000 2.124 309 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 309 Q C 1.481 177.353 176.000 -0.214 0.000 0.977 309 Q CA 1.538 57.022 55.803 -0.532 0.000 0.850 309 Q CB -0.504 27.778 28.738 -0.761 0.000 0.901 309 Q HN 0.519 nan 8.270 nan 0.000 0.429 310 N N 0.311 118.898 118.700 -0.189 0.000 2.120 310 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 310 N C 1.455 176.988 175.510 0.038 0.000 1.024 310 N CA 1.276 54.270 53.050 -0.093 0.000 0.852 310 N CB -0.494 37.915 38.487 -0.129 0.000 1.003 310 N HN 0.377 nan 8.380 nan 0.000 0.424 311 Y N 1.367 121.687 120.300 0.033 0.000 2.181 311 Y HA -0.088 4.462 4.550 -0.000 0.000 0.288 311 Y C 2.393 178.442 175.900 0.248 0.000 1.146 311 Y CA 1.498 59.740 58.100 0.236 0.000 1.164 311 Y CB -0.133 38.592 38.460 0.443 0.000 0.982 311 Y HN -0.017 nan 8.280 nan 0.000 0.515 312 M N -0.745 119.043 119.600 0.313 0.000 2.065 312 M HA -0.252 4.228 4.480 -0.000 0.000 0.259 312 M C 2.311 178.601 176.300 -0.017 0.000 1.069 312 M CA 2.078 57.492 55.300 0.189 0.000 1.110 312 M CB -0.396 32.309 32.600 0.176 0.000 1.328 312 M HN 0.074 nan 8.290 nan 0.000 0.405 313 R N 1.111 121.596 120.500 -0.025 0.000 2.083 313 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 313 R C 1.978 178.203 176.300 -0.124 0.000 1.137 313 R CA 2.263 58.323 56.100 -0.066 0.000 0.951 313 R CB -1.060 29.200 30.300 -0.065 0.000 0.851 313 R HN 0.366 nan 8.270 nan 0.000 0.434 314 A N 0.171 122.893 122.820 -0.164 0.000 1.902 314 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 314 A C 2.028 179.336 177.584 -0.460 0.000 1.181 314 A CA 1.693 53.552 52.037 -0.296 0.000 0.623 314 A CB -0.821 17.961 19.000 -0.362 0.000 0.818 314 A HN 0.585 nan 8.150 nan 0.000 0.443 315 H N -0.920 117.876 119.070 -0.457 0.000 2.436 315 H HA 0.062 4.618 4.556 -0.000 0.000 0.294 315 H C 2.092 177.202 175.328 -0.362 0.000 1.048 315 H CA 1.354 57.072 56.048 -0.550 0.000 1.353 315 H CB -0.082 29.066 29.762 -1.024 0.000 1.414 315 H HN 0.468 nan 8.280 nan 0.000 0.536 316 I N 1.095 121.542 120.570 -0.205 0.000 2.286 316 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 316 I C 1.957 178.027 176.117 -0.078 0.000 1.115 316 I CA 1.140 62.379 61.300 -0.102 0.000 1.392 316 I CB -0.096 37.871 38.000 -0.054 0.000 1.065 316 I HN 0.075 nan 8.210 nan 0.000 0.418 317 D N 0.337 120.673 120.400 -0.107 0.000 2.117 317 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 317 D C 2.372 178.630 176.300 -0.070 0.000 0.982 317 D CA 1.084 55.034 54.000 -0.083 0.000 0.828 317 D CB -0.248 40.493 40.800 -0.099 0.000 0.967 317 D HN 0.124 nan 8.370 nan 0.000 0.464 318 V N 1.220 121.076 119.914 -0.096 0.000 2.427 318 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 318 V C 2.459 178.563 176.094 0.017 0.000 1.051 318 V CA 1.640 63.921 62.300 -0.033 0.000 1.048 318 V CB -0.659 31.158 31.823 -0.011 0.000 0.666 318 V HN 0.177 nan 8.190 nan 0.000 0.456 319 A N -0.288 122.540 122.820 0.014 0.000 1.933 319 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 319 A C 2.280 179.874 177.584 0.016 0.000 1.175 319 A CA 1.852 53.910 52.037 0.035 0.000 0.628 319 A CB -0.379 18.646 19.000 0.041 0.000 0.814 319 A HN 0.548 nan 8.150 nan 0.000 0.444 320 K N -0.841 119.559 120.400 0.001 0.000 2.057 320 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 320 K C 2.368 178.967 176.600 -0.001 0.000 1.049 320 K CA 1.589 57.876 56.287 -0.000 0.000 0.931 320 K CB -0.175 32.321 32.500 -0.007 0.000 0.714 320 K HN 0.615 nan 8.250 nan 0.000 0.440 321 Q N 0.725 120.522 119.800 -0.004 0.000 2.096 321 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 321 Q C 1.784 177.785 176.000 0.002 0.000 0.982 321 Q CA 1.320 57.121 55.803 -0.003 0.000 0.850 321 Q CB 0.105 28.840 28.738 -0.004 0.000 0.901 321 Q HN 0.279 nan 8.270 nan 0.000 0.422 322 L N 0.002 121.230 121.223 0.009 0.000 2.567 322 L HA 0.064 4.404 4.340 -0.000 0.000 0.225 322 L C 0.335 177.209 176.870 0.005 0.000 1.119 322 L CA -0.093 54.751 54.840 0.008 0.000 0.871 322 L CB 0.004 42.072 42.059 0.015 0.000 1.036 322 L HN 0.360 nan 8.230 nan 0.000 0.459 323 N N 1.708 120.411 118.700 0.005 0.000 2.708 323 N HA -0.213 4.526 4.740 -0.000 0.000 0.255 323 N C -0.723 174.784 175.510 -0.005 0.000 1.046 323 N CA 0.824 53.874 53.050 -0.001 0.000 0.715 323 N CB -0.713 37.770 38.487 -0.007 0.000 0.895 323 N HN 0.363 nan 8.380 nan 0.000 0.545 324 K N -0.059 120.345 120.400 0.007 0.000 2.477 324 K HA 0.546 4.866 4.320 -0.000 0.000 0.255 324 K C -2.691 173.908 176.600 -0.001 0.000 0.952 324 K CA -2.055 54.239 56.287 0.011 0.000 0.826 324 K CB 1.966 34.502 32.500 0.061 0.000 1.331 324 K HN -0.037 nan 8.250 nan 0.000 0.437 325 P HA 0.072 nan 4.420 nan 0.000 0.269 325 P C -1.243 176.108 177.300 0.085 0.000 1.215 325 P CA -0.475 62.533 63.100 -0.152 0.000 0.780 325 P CB 0.467 31.730 31.700 -0.729 0.000 0.898 326 L N 3.469 124.778 121.223 0.142 0.000 2.376 326 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 326 L C -1.321 175.777 176.870 0.380 0.000 0.987 326 L CA -0.511 54.502 54.840 0.289 0.000 0.828 326 L CB 1.821 43.998 42.059 0.197 0.000 1.249 326 L HN 0.037 nan 8.230 nan 0.000 0.409 327 V N 5.845 126.059 119.914 0.500 0.000 2.448 327 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 327 V C -0.190 176.123 176.094 0.366 0.000 1.025 327 V CA -0.633 61.923 62.300 0.427 0.000 0.859 327 V CB 1.639 33.734 31.823 0.452 0.000 0.988 327 V HN 0.643 nan 8.190 nan 0.000 0.431 328 L N 5.607 126.913 121.223 0.139 0.000 2.384 328 L HA 0.278 4.618 4.340 -0.000 0.000 0.258 328 L C 1.443 178.297 176.870 -0.025 0.000 1.266 328 L CA 0.522 55.189 54.840 -0.288 0.000 1.162 328 L CB -0.174 41.506 42.059 -0.631 0.000 1.375 328 L HN 0.841 nan 8.230 nan 0.000 0.420 329 E N 1.518 121.777 120.200 0.100 0.000 2.489 329 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 329 E C 0.029 176.643 176.600 0.024 0.000 1.057 329 E CA 0.083 56.564 56.400 0.136 0.000 0.866 329 E CB 0.258 30.114 29.700 0.260 0.000 0.916 329 E HN 0.648 nan 8.360 nan 0.000 0.500 330 E N 0.589 120.705 120.200 -0.141 0.000 2.349 330 E HA 0.354 4.704 4.350 -0.000 0.000 0.290 330 E C -1.678 174.731 176.600 -0.317 0.000 0.901 330 E CA -0.797 55.490 56.400 -0.188 0.000 0.800 330 E CB 0.948 30.311 29.700 -0.561 0.000 1.303 330 E HN 0.234 nan 8.360 nan 0.000 0.397 331 F N 1.474 121.069 119.950 -0.592 0.000 2.650 331 F HA 0.876 5.403 4.527 -0.000 0.000 0.310 331 F C -0.600 174.842 175.800 -0.598 0.000 1.112 331 F CA -0.457 56.995 58.000 -0.913 0.000 0.986 331 F CB 1.528 40.169 39.000 -0.597 0.000 1.285 331 F HN 0.507 nan 8.300 nan 0.000 0.440 332 G N 1.871 110.174 108.800 -0.828 0.000 2.608 332 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 332 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 332 G C -2.897 171.974 174.900 -0.049 0.000 1.425 332 G CA -1.035 43.915 45.100 -0.250 0.000 0.787 332 G HN 0.968 nan 8.290 nan 0.000 0.484 333 L N -0.232 121.092 121.223 0.168 0.000 2.506 333 L HA 0.548 4.888 4.340 -0.000 0.000 0.257 333 L C -0.979 176.110 176.870 0.364 0.000 0.964 333 L CA -0.599 54.344 54.840 0.173 0.000 0.836 333 L CB 2.167 44.117 42.059 -0.181 0.000 1.384 333 L HN 0.680 nan 8.230 nan 0.000 0.410 334 D N 2.122 122.709 120.400 0.312 0.000 2.378 334 D HA 0.290 4.930 4.640 -0.000 0.000 0.238 334 D C -0.017 176.323 176.300 0.068 0.000 1.180 334 D CA 0.080 54.158 54.000 0.132 0.000 0.895 334 D CB 0.510 41.355 40.800 0.075 0.000 1.192 334 D HN 0.354 nan 8.370 nan 0.000 0.438 335 R N 0.930 121.443 120.500 0.022 0.000 2.801 335 R HA 0.107 4.447 4.340 -0.000 0.000 0.273 335 R C -0.345 175.960 176.300 0.008 0.000 1.080 335 R CA -0.459 55.645 56.100 0.007 0.000 1.197 335 R CB 0.203 30.499 30.300 -0.007 0.000 1.109 335 R HN 0.446 nan 8.270 nan 0.000 0.535 336 D N 1.817 122.234 120.400 0.027 0.000 2.458 336 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 336 D C 0.948 177.235 176.300 -0.022 0.000 1.146 336 D CA 0.649 54.686 54.000 0.061 0.000 0.877 336 D CB 0.442 41.299 40.800 0.094 0.000 1.176 336 D HN 0.396 nan 8.370 nan 0.000 0.461 337 M N 1.287 120.858 119.600 -0.048 0.000 2.762 337 M HA -0.230 4.250 4.480 -0.000 0.000 0.190 337 M C 1.073 177.280 176.300 -0.155 0.000 0.586 337 M CA 1.241 56.478 55.300 -0.106 0.000 0.620 337 M CB -2.409 30.140 32.600 -0.086 0.000 2.269 337 M HN 0.849 nan 8.290 nan 0.000 0.563 338 G N -0.099 108.608 108.800 -0.154 0.000 2.153 338 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 338 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 338 G C 0.235 174.834 174.900 -0.502 0.000 0.994 338 G CA 0.964 45.908 45.100 -0.261 0.000 0.698 338 G HN 0.945 nan 8.290 nan 0.000 0.521 339 S N -0.950 114.529 115.700 -0.369 0.000 2.568 339 S HA 0.440 4.910 4.470 -0.000 0.000 0.282 339 S C 1.215 175.520 174.600 -0.492 0.000 1.338 339 S CA 0.113 58.054 58.200 -0.431 0.000 1.045 339 S CB 0.310 63.390 63.200 -0.201 0.000 0.873 339 S HN 0.348 nan 8.310 nan 0.000 0.516 340 Y N 1.971 122.055 120.300 -0.361 0.000 2.449 340 Y HA 0.418 4.968 4.550 -0.000 0.000 0.254 340 Y C 1.258 176.913 175.900 -0.408 0.000 1.140 340 Y CA -0.219 57.557 58.100 -0.540 0.000 1.272 340 Y CB -0.773 36.996 38.460 -1.152 0.000 1.114 340 Y HN 0.695 nan 8.280 nan 0.000 0.525 341 A N 0.597 123.342 122.820 -0.125 0.000 2.450 341 A HA 0.155 4.475 4.320 -0.000 0.000 0.255 341 A C 1.392 178.961 177.584 -0.026 0.000 1.096 341 A CA -0.268 51.792 52.037 0.037 0.000 0.778 341 A CB 0.229 19.265 19.000 0.060 0.000 1.031 341 A HN 0.469 nan 8.150 nan 0.000 0.494 342 M N 0.780 120.294 119.600 -0.143 0.000 2.267 342 M HA -0.142 4.337 4.480 -0.000 0.000 0.263 342 M C 0.498 176.685 176.300 -0.189 0.000 1.063 342 M CA 1.431 56.496 55.300 -0.390 0.000 1.090 342 M CB -0.123 32.057 32.600 -0.699 0.000 1.392 342 M HN 0.763 nan 8.290 nan 0.000 0.422 343 D N 0.113 120.449 120.400 -0.107 0.000 2.355 343 D HA 0.013 4.652 4.640 -0.000 0.000 0.218 343 D C 0.782 177.061 176.300 -0.036 0.000 1.004 343 D CA 0.285 54.246 54.000 -0.064 0.000 0.880 343 D CB -0.062 40.710 40.800 -0.047 0.000 0.911 343 D HN 0.312 nan 8.370 nan 0.000 0.528 344 S N 0.237 115.919 115.700 -0.030 0.000 2.585 344 S HA 0.258 4.728 4.470 -0.000 0.000 0.273 344 S C 0.678 175.271 174.600 -0.011 0.000 1.339 344 S CA -0.734 57.453 58.200 -0.022 0.000 1.028 344 S CB 1.013 64.193 63.200 -0.034 0.000 0.906 344 S HN 0.186 nan 8.310 nan 0.000 0.528 345 T N -1.182 113.366 114.554 -0.011 0.000 2.828 345 T HA 0.479 4.829 4.350 -0.000 0.000 0.290 345 T C 0.717 175.412 174.700 -0.008 0.000 1.019 345 T CA -0.145 61.949 62.100 -0.011 0.000 1.031 345 T CB 0.739 69.597 68.868 -0.016 0.000 1.001 345 T HN 1.018 nan 8.240 nan 0.000 0.531 346 T N -2.050 112.488 114.554 -0.027 0.000 3.487 346 T HA 0.293 4.643 4.350 -0.000 0.000 0.287 346 T C 0.804 175.437 174.700 -0.111 0.000 1.004 346 T CA -0.715 61.354 62.100 -0.052 0.000 0.977 346 T CB 0.286 69.121 68.868 -0.056 0.000 1.180 346 T HN 0.510 nan 8.240 nan 0.000 0.490 347 E N 1.158 121.287 120.200 -0.119 0.000 2.077 347 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 347 E C 1.051 177.419 176.600 -0.387 0.000 0.989 347 E CA 1.496 57.748 56.400 -0.247 0.000 0.800 347 E CB -0.339 29.185 29.700 -0.294 0.000 0.746 347 E HN 0.702 nan 8.360 nan 0.000 0.452 348 Y N 0.893 121.039 120.300 -0.257 0.000 2.200 348 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 348 Y C 2.690 178.307 175.900 -0.472 0.000 1.137 348 Y CA 1.577 59.435 58.100 -0.402 0.000 1.163 348 Y CB -0.272 38.047 38.460 -0.234 0.000 0.988 348 Y HN -0.008 nan 8.280 nan 0.000 0.518 349 R N 0.560 120.907 120.500 -0.255 0.000 2.083 349 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 349 R C 1.514 177.423 176.300 -0.652 0.000 1.137 349 R CA 2.206 58.025 56.100 -0.470 0.000 0.951 349 R CB -0.327 29.693 30.300 -0.465 0.000 0.851 349 R HN 0.259 nan 8.270 nan 0.000 0.434 350 D N 0.253 120.390 120.400 -0.439 0.000 2.117 350 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 350 D C 1.564 177.735 176.300 -0.216 0.000 0.987 350 D CA 1.058 54.884 54.000 -0.291 0.000 0.829 350 D CB -0.426 40.280 40.800 -0.157 0.000 0.961 350 D HN 0.266 nan 8.370 nan 0.000 0.460 351 N N -0.167 118.353 118.700 -0.300 0.000 2.244 351 N HA -0.154 4.585 4.740 -0.000 0.000 0.183 351 N C 1.694 177.049 175.510 -0.259 0.000 1.016 351 N CA 0.342 53.209 53.050 -0.305 0.000 0.866 351 N CB -0.439 37.767 38.487 -0.467 0.000 0.980 351 N HN 0.238 nan 8.380 nan 0.000 0.430 352 Y N 1.391 121.428 120.300 -0.437 0.000 2.053 352 Y HA -0.220 4.330 4.550 -0.000 0.000 0.277 352 Y C 1.971 177.884 175.900 0.023 0.000 1.159 352 Y CA 1.382 59.399 58.100 -0.138 0.000 1.125 352 Y CB -0.778 37.594 38.460 -0.146 0.000 0.969 352 Y HN -0.104 nan 8.280 nan 0.000 0.492 353 F N 0.485 120.193 119.950 -0.403 0.000 2.126 353 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 353 F C 2.556 177.912 175.800 -0.741 0.000 1.096 353 F CA 1.648 59.212 58.000 -0.727 0.000 1.255 353 F CB -1.270 37.422 39.000 -0.513 0.000 0.997 353 F HN 0.080 nan 8.300 nan 0.000 0.479 354 R N -0.220 120.194 120.500 -0.143 0.000 2.091 354 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 354 R C 2.572 178.762 176.300 -0.183 0.000 1.136 354 R CA 1.310 57.354 56.100 -0.093 0.000 0.959 354 R CB -1.161 29.168 30.300 0.049 0.000 0.856 354 R HN 0.369 nan 8.270 nan 0.000 0.437 355 G N 0.340 108.999 108.800 -0.236 0.000 2.421 355 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 355 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 355 G C 1.471 176.404 174.900 0.054 0.000 1.171 355 G CA 0.745 45.687 45.100 -0.263 0.000 0.775 355 G HN 0.132 nan 8.290 nan 0.000 0.543 356 V N 0.526 120.390 119.914 -0.084 0.000 2.295 356 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 356 V C 2.565 178.565 176.094 -0.156 0.000 1.049 356 V CA 1.512 63.727 62.300 -0.140 0.000 1.024 356 V CB -0.622 30.825 31.823 -0.627 0.000 0.648 356 V HN 0.266 nan 8.190 nan 0.000 0.447 357 F N 0.709 120.443 119.950 -0.361 0.000 2.134 357 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 357 F C 2.437 178.100 175.800 -0.228 0.000 1.097 357 F CA 1.209 58.926 58.000 -0.472 0.000 1.264 357 F CB -0.973 37.228 39.000 -1.330 0.000 1.001 357 F HN 0.254 nan 8.300 nan 0.000 0.479 358 E N 0.158 120.337 120.200 -0.034 0.000 2.051 358 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 358 E C 2.409 179.104 176.600 0.157 0.000 0.991 358 E CA 1.159 57.642 56.400 0.139 0.000 0.799 358 E CB -0.411 29.381 29.700 0.153 0.000 0.748 358 E HN 0.325 nan 8.360 nan 0.000 0.449 359 L N 0.379 121.709 121.223 0.178 0.000 2.046 359 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 359 L C 2.664 179.630 176.870 0.159 0.000 1.077 359 L CA 0.956 55.902 54.840 0.176 0.000 0.747 359 L CB -0.246 41.939 42.059 0.211 0.000 0.896 359 L HN 0.287 nan 8.230 nan 0.000 0.432 360 M N -0.659 119.066 119.600 0.209 0.000 2.175 360 M HA -0.230 4.250 4.480 -0.000 0.000 0.264 360 M C 2.185 178.632 176.300 0.245 0.000 1.063 360 M CA 1.603 57.077 55.300 0.289 0.000 1.119 360 M CB 0.065 32.911 32.600 0.409 0.000 1.377 360 M HN 0.212 nan 8.290 nan 0.000 0.415 361 L N 0.724 122.010 121.223 0.105 0.000 2.056 361 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 361 L C 2.479 179.285 176.870 -0.107 0.000 1.078 361 L CA 2.128 56.783 54.840 -0.307 0.000 0.749 361 L CB -1.148 40.671 42.059 -0.400 0.000 0.901 361 L HN 0.316 nan 8.230 nan 0.000 0.433 362 A N -1.562 121.260 122.820 0.003 0.000 1.908 362 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 362 A C 2.540 180.137 177.584 0.023 0.000 1.181 362 A CA 1.999 54.048 52.037 0.019 0.000 0.627 362 A CB -1.160 17.872 19.000 0.052 0.000 0.818 362 A HN 0.529 nan 8.150 nan 0.000 0.445 363 S N -0.769 114.962 115.700 0.051 0.000 2.359 363 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 363 S C 1.947 176.576 174.600 0.047 0.000 1.035 363 S CA 1.674 59.908 58.200 0.058 0.000 1.018 363 S CB -0.459 62.796 63.200 0.092 0.000 0.876 363 S HN 0.484 nan 8.310 nan 0.000 0.448 364 L N 1.938 123.189 121.223 0.047 0.000 2.017 364 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 364 L C 2.240 179.104 176.870 -0.010 0.000 1.073 364 L CA 2.087 56.947 54.840 0.032 0.000 0.745 364 L CB -1.122 40.950 42.059 0.022 0.000 0.894 364 L HN 0.377 nan 8.230 nan 0.000 0.432 365 E N -0.825 119.353 120.200 -0.037 0.000 2.118 365 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 365 E C 1.927 178.517 176.600 -0.016 0.000 0.992 365 E CA 1.439 57.818 56.400 -0.036 0.000 0.804 365 E CB -0.133 29.543 29.700 -0.039 0.000 0.741 365 E HN 0.656 nan 8.360 nan 0.000 0.458 366 Q N -0.896 118.902 119.800 -0.002 0.000 2.444 366 Q HA 0.080 4.420 4.340 -0.000 0.000 0.206 366 Q C 0.843 176.847 176.000 0.007 0.000 0.948 366 Q CA 0.386 56.191 55.803 0.004 0.000 0.946 366 Q CB 0.820 29.565 28.738 0.011 0.000 1.027 366 Q HN 0.396 nan 8.270 nan 0.000 0.513 367 G N 1.016 109.820 108.800 0.008 0.000 2.143 367 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.249 367 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.249 367 G C -0.228 174.689 174.900 0.029 0.000 0.981 367 G CA -0.055 45.053 45.100 0.013 0.000 0.665 367 G HN 0.370 nan 8.290 nan 0.000 0.528 368 E N 0.303 120.523 120.200 0.034 0.000 2.371 368 E HA 0.320 4.670 4.350 -0.000 0.000 0.257 368 E C -1.795 174.839 176.600 0.055 0.000 1.134 368 E CA -1.674 54.749 56.400 0.039 0.000 0.919 368 E CB 0.862 30.584 29.700 0.036 0.000 1.025 368 E HN 0.042 nan 8.360 nan 0.000 0.438 369 P HA 0.011 nan 4.420 nan 0.000 0.259 369 P C -0.710 176.639 177.300 0.082 0.000 1.307 369 P CA 0.348 63.479 63.100 0.052 0.000 0.768 369 P CB 0.064 31.783 31.700 0.032 0.000 1.199 370 S N 0.837 116.606 115.700 0.115 0.000 2.481 370 S HA 0.304 4.774 4.470 -0.000 0.000 0.282 370 S C 1.244 175.966 174.600 0.203 0.000 1.243 370 S CA 0.026 58.335 58.200 0.181 0.000 1.078 370 S CB 0.320 63.646 63.200 0.210 0.000 0.916 370 S HN 0.194 nan 8.310 nan 0.000 0.495 371 A N 2.945 125.894 122.820 0.215 0.000 2.508 371 A HA 0.689 5.009 4.320 -0.000 0.000 0.257 371 A C 0.966 178.712 177.584 0.270 0.000 1.226 371 A CA 0.243 52.415 52.037 0.226 0.000 0.947 371 A CB -0.250 18.807 19.000 0.094 0.000 1.079 371 A HN 1.235 nan 8.150 nan 0.000 0.531 372 G N -0.878 108.061 108.800 0.232 0.000 2.280 372 G HA2 0.364 4.323 3.960 -0.000 0.000 0.277 372 G HA3 0.364 4.323 3.960 -0.000 0.000 0.277 372 G C -0.768 174.210 174.900 0.130 0.000 1.288 372 G CA 0.039 45.199 45.100 0.100 0.000 1.075 372 G HN 1.744 nan 8.290 nan 0.000 0.480 373 Y N -0.772 119.472 120.300 -0.093 0.000 2.677 373 Y HA 0.774 5.324 4.550 -0.000 0.000 0.334 373 Y C -1.300 174.602 175.900 0.004 0.000 1.196 373 Y CA -1.289 56.785 58.100 -0.043 0.000 1.059 373 Y CB 1.068 39.499 38.460 -0.048 0.000 1.315 373 Y HN 0.666 nan 8.280 nan 0.000 0.455 374 N N 2.864 121.653 118.700 0.149 0.000 2.480 374 N HA 0.400 5.140 4.740 -0.000 0.000 0.289 374 N C -1.273 174.392 175.510 0.258 0.000 1.073 374 N CA -0.522 52.560 53.050 0.054 0.000 0.885 374 N CB 2.572 41.074 38.487 0.024 0.000 1.421 374 N HN 0.651 nan 8.380 nan 0.000 0.503 375 I N 1.259 121.942 120.570 0.188 0.000 2.752 375 I HA -0.053 4.117 4.170 -0.000 0.000 0.287 375 I C 0.249 176.313 176.117 -0.088 0.000 1.188 375 I CA 0.321 61.459 61.300 -0.269 0.000 1.427 375 I CB 0.815 38.637 38.000 -0.297 0.000 1.365 375 I HN 0.408 nan 8.210 nan 0.000 0.585 376 W N 7.994 129.117 121.300 -0.295 0.000 2.294 376 W HA 0.671 5.331 4.660 -0.000 0.000 0.314 376 W C -0.799 175.744 176.519 0.040 0.000 1.044 376 W CA -0.517 56.808 57.345 -0.033 0.000 1.284 376 W CB 1.146 30.654 29.460 0.080 0.000 1.231 376 W HN 0.573 nan 8.180 nan 0.000 0.419 377 A N 6.043 128.833 122.820 -0.050 0.000 2.529 377 A HA 0.527 4.847 4.320 -0.000 0.000 0.296 377 A C -2.288 175.255 177.584 -0.068 0.000 1.205 377 A CA -0.790 51.036 52.037 -0.352 0.000 0.671 377 A CB 1.461 19.815 19.000 -1.077 0.000 1.301 377 A HN 0.631 nan 8.150 nan 0.000 0.450 378 W N 1.798 122.948 121.300 -0.251 0.000 2.314 378 W HA 0.336 4.995 4.660 -0.000 0.000 0.310 378 W C -0.906 175.547 176.519 -0.110 0.000 1.075 378 W CA -0.417 56.831 57.345 -0.162 0.000 1.253 378 W CB 1.516 30.885 29.460 -0.151 0.000 1.238 378 W HN 0.827 nan 8.180 nan 0.000 0.440 379 N N 3.328 121.536 118.700 -0.819 0.000 2.439 379 N HA 0.089 4.829 4.740 -0.000 0.000 0.176 379 N C 1.547 176.570 175.510 -0.813 0.000 1.029 379 N CA 1.382 53.981 53.050 -0.752 0.000 0.886 379 N CB -0.123 37.725 38.487 -1.065 0.000 1.057 379 N HN 0.735 nan 8.380 nan 0.000 0.437 380 G N 1.187 109.099 108.800 -1.481 0.000 2.622 380 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.307 380 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.307 380 G C 0.414 175.060 174.900 -0.424 0.000 1.226 380 G CA 0.760 45.240 45.100 -1.034 0.000 0.997 380 G HN 0.320 nan 8.290 nan 0.000 0.551 381 Y N 2.627 122.941 120.300 0.023 0.000 2.529 381 Y HA 0.373 4.923 4.550 -0.000 0.000 0.290 381 Y C 2.357 178.296 175.900 0.065 0.000 1.177 381 Y CA 0.083 58.225 58.100 0.070 0.000 1.305 381 Y CB -0.708 37.810 38.460 0.098 0.000 1.047 381 Y HN 0.705 nan 8.280 nan 0.000 0.522 382 G N 1.435 110.313 108.800 0.131 0.000 2.432 382 G HA2 0.352 4.312 3.960 -0.000 0.000 0.239 382 G HA3 0.352 4.312 3.960 -0.000 0.000 0.239 382 G C 0.066 175.069 174.900 0.171 0.000 1.291 382 G CA -0.414 44.735 45.100 0.083 0.000 0.863 382 G HN -0.000 nan 8.290 nan 0.000 0.560 383 R N -0.003 120.573 120.500 0.127 0.000 2.725 383 R HA 0.569 4.909 4.340 -0.000 0.000 0.277 383 R C -0.836 175.522 176.300 0.096 0.000 0.987 383 R CA -0.755 55.425 56.100 0.134 0.000 0.901 383 R CB 1.828 32.166 30.300 0.063 0.000 1.207 383 R HN 0.553 nan 8.270 nan 0.000 0.463 384 T N -0.281 114.341 114.554 0.112 0.000 2.829 384 T HA 0.356 4.706 4.350 -0.000 0.000 0.280 384 T C 0.403 175.106 174.700 0.005 0.000 0.999 384 T CA -0.329 61.810 62.100 0.065 0.000 0.983 384 T CB 0.853 69.797 68.868 0.128 0.000 0.968 384 T HN 0.644 nan 8.240 nan 0.000 0.446 385 T N 1.566 116.095 114.554 -0.042 0.000 3.228 385 T HA 0.371 4.721 4.350 -0.000 0.000 0.278 385 T C 0.336 174.967 174.700 -0.114 0.000 1.014 385 T CA -0.686 61.367 62.100 -0.077 0.000 0.904 385 T CB 0.013 68.843 68.868 -0.064 0.000 1.110 385 T HN 0.344 nan 8.240 nan 0.000 0.541 386 R N 1.298 121.725 120.500 -0.122 0.000 2.298 386 R HA 0.599 4.939 4.340 -0.000 0.000 0.310 386 R C 1.478 177.610 176.300 -0.282 0.000 1.068 386 R CA 0.095 56.114 56.100 -0.135 0.000 0.957 386 R CB 0.659 30.928 30.300 -0.051 0.000 1.003 386 R HN 0.341 nan 8.270 nan 0.000 0.454 387 A N 3.650 126.335 122.820 -0.225 0.000 1.940 387 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 387 A C 1.407 178.804 177.584 -0.312 0.000 1.176 387 A CA 1.932 53.804 52.037 -0.274 0.000 0.631 387 A CB -0.348 18.575 19.000 -0.129 0.000 0.814 387 A HN 0.787 nan 8.150 nan 0.000 0.446 388 N N -2.616 116.014 118.700 -0.118 0.000 2.322 388 N HA 0.015 4.755 4.740 -0.000 0.000 0.194 388 N C -0.159 175.510 175.510 0.266 0.000 1.126 388 N CA 0.347 53.447 53.050 0.084 0.000 0.845 388 N CB -0.687 37.858 38.487 0.098 0.000 0.976 388 N HN 0.483 nan 8.380 nan 0.000 0.475 389 Y N -2.624 117.754 120.300 0.131 0.000 4.324 389 Y HA -0.239 4.311 4.550 -0.000 0.000 0.224 389 Y C -0.302 175.662 175.900 0.106 0.000 1.113 389 Y CA 0.526 58.675 58.100 0.082 0.000 1.887 389 Y CB -2.087 36.375 38.460 0.004 0.000 1.602 389 Y HN 0.404 nan 8.280 nan 0.000 0.654 390 W N 1.072 122.416 121.300 0.073 0.000 2.349 390 W HA 0.304 4.964 4.660 -0.000 0.000 0.309 390 W C 0.090 176.682 176.519 0.121 0.000 1.083 390 W CA -1.566 55.829 57.345 0.083 0.000 1.224 390 W CB 0.686 30.177 29.460 0.051 0.000 1.256 390 W HN 0.198 nan 8.180 nan 0.000 0.461 391 W N 7.138 128.214 121.300 -0.373 0.000 2.223 391 W HA 0.077 4.737 4.660 -0.000 0.000 0.334 391 W C -0.310 176.193 176.519 -0.027 0.000 1.334 391 W CA 0.775 58.006 57.345 -0.190 0.000 1.246 391 W CB 0.630 29.943 29.460 -0.244 0.000 1.184 391 W HN 0.333 nan 8.180 nan 0.000 0.563 392 Q N 3.734 123.118 119.800 -0.693 0.000 2.387 392 Q HA 0.138 4.478 4.340 -0.000 0.000 0.273 392 Q C -0.866 174.202 176.000 -1.553 0.000 1.089 392 Q CA -1.180 54.173 55.803 -0.750 0.000 0.824 392 Q CB 2.076 30.605 28.738 -0.347 0.000 1.367 392 Q HN 0.524 nan 8.270 nan 0.000 0.443 393 E N -0.152 119.425 120.200 -1.038 0.000 2.558 393 E HA 0.041 4.391 4.350 -0.000 0.000 0.255 393 E C 0.505 176.788 176.600 -0.529 0.000 0.968 393 E CA 1.361 57.313 56.400 -0.747 0.000 0.939 393 E CB -0.025 29.590 29.700 -0.143 0.000 0.921 393 E HN 0.820 nan 8.360 nan 0.000 0.477 394 G N 3.994 112.550 108.800 -0.407 0.000 2.254 394 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.225 394 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.225 394 G C -0.135 174.560 174.900 -0.341 0.000 1.003 394 G CA 0.067 45.002 45.100 -0.276 0.000 0.622 394 G HN 0.635 nan 8.290 nan 0.000 0.507 395 D N 1.859 121.927 120.400 -0.554 0.000 2.357 395 D HA 0.430 5.070 4.640 -0.000 0.000 0.242 395 D C 0.347 176.509 176.300 -0.229 0.000 1.153 395 D CA -0.263 53.493 54.000 -0.408 0.000 0.918 395 D CB 0.388 40.846 40.800 -0.572 0.000 1.181 395 D HN 0.157 nan 8.370 nan 0.000 0.435 396 D N 0.358 120.682 120.400 -0.127 0.000 2.533 396 D HA -0.039 4.601 4.640 -0.000 0.000 0.236 396 D C 0.006 176.265 176.300 -0.069 0.000 1.137 396 D CA 0.372 54.307 54.000 -0.108 0.000 0.867 396 D CB 0.070 40.851 40.800 -0.031 0.000 1.170 396 D HN 0.089 nan 8.370 nan 0.000 0.474 397 F N 1.805 121.718 119.950 -0.062 0.000 2.471 397 F HA 0.245 4.772 4.527 -0.000 0.000 0.353 397 F C 0.802 176.054 175.800 -0.914 0.000 1.113 397 F CA -0.148 57.572 58.000 -0.466 0.000 1.262 397 F CB 0.354 38.929 39.000 -0.707 0.000 1.146 397 F HN 0.130 nan 8.300 nan 0.000 0.578 398 M N 0.598 119.802 119.600 -0.659 0.000 2.658 398 M HA 0.458 4.938 4.480 -0.000 0.000 0.295 398 M C 1.109 177.179 176.300 -0.384 0.000 1.248 398 M CA -0.441 54.503 55.300 -0.592 0.000 0.843 398 M CB 1.890 34.349 32.600 -0.234 0.000 1.749 398 M HN 0.547 nan 8.290 nan 0.000 0.464 399 G N -0.120 108.607 108.800 -0.123 0.000 2.450 399 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.220 399 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.220 399 G C 0.036 174.930 174.900 -0.010 0.000 1.130 399 G CA 0.456 45.557 45.100 0.002 0.000 0.760 399 G HN 0.702 nan 8.290 nan 0.000 0.557 400 D N 1.949 122.329 120.400 -0.032 0.000 2.358 400 D HA 0.219 4.859 4.640 -0.000 0.000 0.258 400 D C -2.114 174.127 176.300 -0.098 0.000 1.223 400 D CA -0.780 53.209 54.000 -0.020 0.000 0.886 400 D CB 1.516 42.254 40.800 -0.104 0.000 1.120 400 D HN 0.163 nan 8.370 nan 0.000 0.482 401 P HA 0.163 nan 4.420 nan 0.000 0.279 401 P C -2.095 174.829 177.300 -0.626 0.000 1.282 401 P CA -1.339 61.293 63.100 -0.779 0.000 0.788 401 P CB 0.094 30.649 31.700 -1.907 0.000 1.139 402 P HA -0.128 nan 4.420 nan 0.000 0.231 402 P C 1.128 178.151 177.300 -0.462 0.000 1.158 402 P CA 1.087 63.887 63.100 -0.501 0.000 0.763 402 P CB -0.293 31.158 31.700 -0.415 0.000 0.805 403 Q N -0.104 119.490 119.800 -0.342 0.000 2.403 403 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 403 Q C -0.044 175.805 176.000 -0.253 0.000 0.932 403 Q CA 0.852 56.579 55.803 -0.126 0.000 0.945 403 Q CB 0.055 28.838 28.738 0.075 0.000 1.045 403 Q HN 0.252 nan 8.270 nan 0.000 0.511 404 E N 0.655 120.518 120.200 -0.563 0.000 2.367 404 E HA 0.333 4.683 4.350 -0.000 0.000 0.273 404 E C -1.385 174.841 176.600 -0.624 0.000 0.903 404 E CA -0.899 55.232 56.400 -0.449 0.000 0.764 404 E CB 1.468 30.972 29.700 -0.327 0.000 1.252 404 E HN 0.048 nan 8.360 nan 0.000 0.446 405 E N 1.848 121.764 120.200 -0.474 0.000 2.452 405 E HA -0.060 4.290 4.350 -0.000 0.000 0.261 405 E C -0.580 175.778 176.600 -0.404 0.000 0.987 405 E CA 0.341 56.433 56.400 -0.513 0.000 0.926 405 E CB 0.364 29.382 29.700 -1.136 0.000 0.934 405 E HN 0.127 nan 8.360 nan 0.000 0.452 406 Q N 1.904 121.590 119.800 -0.190 0.000 2.324 406 Q HA 0.283 4.623 4.340 -0.000 0.000 0.257 406 Q C 0.744 176.781 176.000 0.062 0.000 1.080 406 Q CA 0.631 56.410 55.803 -0.039 0.000 0.907 406 Q CB 0.796 29.584 28.738 0.084 0.000 1.274 406 Q HN 0.891 nan 8.270 nan 0.000 0.434 407 G N 2.301 111.108 108.800 0.012 0.000 2.229 407 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.189 407 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.189 407 G C 0.645 175.595 174.900 0.083 0.000 1.000 407 G CA 0.265 45.446 45.100 0.134 0.000 0.663 407 G HN 0.549 nan 8.290 nan 0.000 0.493 408 M N -0.748 118.817 119.600 -0.058 0.000 2.059 408 M HA 0.105 4.585 4.480 -0.000 0.000 0.259 408 M C 1.952 178.168 176.300 -0.140 0.000 1.072 408 M CA 2.130 57.373 55.300 -0.095 0.000 1.117 408 M CB 0.030 32.410 32.600 -0.367 0.000 1.320 408 M HN 0.243 nan 8.290 nan 0.000 0.408 409 Y N -0.915 119.434 120.300 0.082 0.000 2.426 409 Y HA 0.399 4.949 4.550 -0.000 0.000 0.249 409 Y C 1.152 177.089 175.900 0.060 0.000 1.103 409 Y CA -0.286 57.904 58.100 0.150 0.000 1.256 409 Y CB -0.309 38.366 38.460 0.358 0.000 1.208 409 Y HN 0.177 nan 8.280 nan 0.000 0.519 410 G N 0.705 109.525 108.800 0.032 0.000 2.483 410 G HA2 0.403 4.363 3.960 -0.000 0.000 0.248 410 G HA3 0.403 4.363 3.960 -0.000 0.000 0.248 410 G C -0.734 173.958 174.900 -0.346 0.000 1.248 410 G CA -0.188 44.784 45.100 -0.213 0.000 0.838 410 G HN -0.092 nan 8.290 nan 0.000 0.566 411 V N 2.481 122.197 119.914 -0.330 0.000 2.364 411 V HA 0.307 4.427 4.120 -0.000 0.000 0.272 411 V C -0.246 175.423 176.094 -0.708 0.000 1.036 411 V CA -0.478 61.644 62.300 -0.296 0.000 0.880 411 V CB 0.329 32.164 31.823 0.020 0.000 0.991 411 V HN 0.483 nan 8.190 nan 0.000 0.460 412 F N 3.458 123.193 119.950 -0.358 0.000 2.380 412 F HA 0.228 4.755 4.527 -0.000 0.000 0.325 412 F C 1.822 177.359 175.800 -0.437 0.000 1.136 412 F CA -0.447 57.301 58.000 -0.420 0.000 1.171 412 F CB 0.601 39.481 39.000 -0.200 0.000 1.230 412 F HN 0.702 nan 8.300 nan 0.000 0.554 413 D N -0.828 119.439 120.400 -0.222 0.000 2.218 413 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 413 D C 1.435 177.764 176.300 0.048 0.000 0.976 413 D CA 1.724 55.652 54.000 -0.119 0.000 0.853 413 D CB -0.860 39.824 40.800 -0.192 0.000 0.939 413 D HN 0.626 nan 8.370 nan 0.000 0.481 414 T N -2.466 112.130 114.554 0.070 0.000 3.129 414 T HA 0.009 4.359 4.350 -0.000 0.000 0.251 414 T C 0.322 175.061 174.700 0.065 0.000 1.117 414 T CA -0.286 61.852 62.100 0.063 0.000 1.034 414 T CB -0.111 68.767 68.868 0.018 0.000 0.968 414 T HN -0.156 nan 8.240 nan 0.000 0.526 415 D N 2.645 123.099 120.400 0.091 0.000 2.608 415 D HA 0.195 4.834 4.640 -0.000 0.000 0.224 415 D C 1.066 177.423 176.300 0.095 0.000 1.123 415 D CA 0.018 54.074 54.000 0.093 0.000 1.030 415 D CB 0.579 41.447 40.800 0.112 0.000 1.093 415 D HN 0.252 nan 8.370 nan 0.000 0.497 416 T N -0.450 114.150 114.554 0.077 0.000 2.699 416 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 416 T C 2.160 176.910 174.700 0.083 0.000 1.036 416 T CA 1.789 63.937 62.100 0.079 0.000 1.147 416 T CB -0.021 68.881 68.868 0.057 0.000 0.862 416 T HN 0.424 nan 8.240 nan 0.000 0.446 417 S N 1.448 117.187 115.700 0.065 0.000 2.356 417 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 417 S C 2.197 176.856 174.600 0.099 0.000 1.032 417 S CA 1.649 59.886 58.200 0.062 0.000 1.005 417 S CB -1.200 62.016 63.200 0.026 0.000 0.867 417 S HN 0.502 nan 8.310 nan 0.000 0.449 418 T N 2.819 117.440 114.554 0.111 0.000 2.777 418 T HA 0.135 4.485 4.350 -0.000 0.000 0.266 418 T C 1.794 176.642 174.700 0.246 0.000 1.040 418 T CA 1.415 63.622 62.100 0.179 0.000 1.141 418 T CB -0.522 68.447 68.868 0.169 0.000 0.868 418 T HN 0.369 nan 8.240 nan 0.000 0.444 419 I N 1.434 122.134 120.570 0.217 0.000 2.286 419 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 419 I C 2.900 179.120 176.117 0.172 0.000 1.115 419 I CA 1.002 62.436 61.300 0.224 0.000 1.392 419 I CB -0.436 37.696 38.000 0.220 0.000 1.065 419 I HN 0.204 nan 8.210 nan 0.000 0.418 420 A N 0.941 123.847 122.820 0.143 0.000 1.933 420 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 420 A C 2.271 179.938 177.584 0.137 0.000 1.175 420 A CA 1.416 53.519 52.037 0.110 0.000 0.628 420 A CB -0.726 18.324 19.000 0.082 0.000 0.814 420 A HN 0.374 nan 8.150 nan 0.000 0.444 421 I N -0.807 119.891 120.570 0.213 0.000 2.179 421 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 421 I C 2.728 179.074 176.117 0.382 0.000 1.088 421 I CA 1.570 63.077 61.300 0.345 0.000 1.357 421 I CB -0.333 37.919 38.000 0.419 0.000 1.051 421 I HN 0.334 nan 8.210 nan 0.000 0.409 422 M N 0.212 120.004 119.600 0.320 0.000 2.080 422 M HA -0.271 4.209 4.480 -0.000 0.000 0.260 422 M C 2.420 178.780 176.300 0.100 0.000 1.068 422 M CA 1.878 57.306 55.300 0.213 0.000 1.109 422 M CB -0.466 32.262 32.600 0.214 0.000 1.342 422 M HN 0.089 nan 8.290 nan 0.000 0.405 423 K N 0.302 120.753 120.400 0.085 0.000 2.057 423 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 423 K C 1.890 178.487 176.600 -0.006 0.000 1.049 423 K CA 1.802 58.105 56.287 0.027 0.000 0.931 423 K CB 0.007 32.525 32.500 0.029 0.000 0.714 423 K HN 0.139 nan 8.250 nan 0.000 0.440 424 E N 0.122 120.309 120.200 -0.021 0.000 2.031 424 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 424 E C 1.610 178.078 176.600 -0.219 0.000 0.994 424 E CA 1.753 58.060 56.400 -0.155 0.000 0.800 424 E CB -0.322 29.231 29.700 -0.246 0.000 0.752 424 E HN 0.323 nan 8.360 nan 0.000 0.447 425 F N 0.732 120.645 119.950 -0.063 0.000 2.293 425 F HA 0.099 4.626 4.527 -0.000 0.000 0.297 425 F C 2.008 177.804 175.800 -0.006 0.000 1.089 425 F CA 1.112 59.065 58.000 -0.079 0.000 1.377 425 F CB -0.399 38.339 39.000 -0.437 0.000 1.051 425 F HN 0.112 nan 8.300 nan 0.000 0.511 426 N N 0.003 118.735 118.700 0.055 0.000 2.149 426 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 426 N C 1.989 177.528 175.510 0.049 0.000 1.019 426 N CA 0.895 53.964 53.050 0.031 0.000 0.857 426 N CB -0.218 38.252 38.487 -0.029 0.000 0.997 426 N HN 0.261 nan 8.380 nan 0.000 0.426 427 A N 1.445 124.275 122.820 0.017 0.000 1.897 427 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 427 A C 2.039 179.629 177.584 0.011 0.000 1.181 427 A CA 0.908 52.942 52.037 -0.005 0.000 0.620 427 A CB -0.067 18.910 19.000 -0.039 0.000 0.821 427 A HN 0.092 nan 8.150 nan 0.000 0.443 428 R N -1.103 119.402 120.500 0.008 0.000 2.148 428 R HA 0.015 4.355 4.340 -0.000 0.000 0.227 428 R C 1.496 177.791 176.300 -0.009 0.000 1.103 428 R CA 0.888 56.969 56.100 -0.031 0.000 0.983 428 R CB -1.065 29.169 30.300 -0.110 0.000 0.874 428 R HN 0.620 nan 8.270 nan 0.000 0.451 429 F N 1.206 121.162 119.950 0.010 0.000 2.558 429 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 429 F C 0.988 176.779 175.800 -0.016 0.000 1.119 429 F CA 0.443 58.456 58.000 0.022 0.000 1.451 429 F CB 0.155 39.179 39.000 0.041 0.000 1.091 429 F HN -0.158 nan 8.300 nan 0.000 0.563 430 Q N 1.747 121.615 119.800 0.114 0.000 2.297 430 Q HA 0.165 4.505 4.340 -0.000 0.000 0.267 430 Q C -1.714 174.293 176.000 0.013 0.000 1.006 430 Q CA -1.579 54.246 55.803 0.037 0.000 0.896 430 Q CB 0.136 28.877 28.738 0.005 0.000 1.186 430 Q HN 0.092 nan 8.270 nan 0.000 0.392 431 P HA 0.000 nan 4.420 nan 0.000 0.216 431 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 431 P CB 0.000 31.705 31.700 0.008 0.000 0.726