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 3mj4_1_A DATA FIRST_RESID 25 DATA SEQUENCE QESKGFDYLI VGAGFAGSVL AERLASSGQR VLIVDRRPHI GGNAYDCYDD DATA SEQUENCE AGVLIHPYGP HIFHTNSKDV FEYLSRFTEW RPYQHRVLAS VDGQLLPIPI DATA SEQUENCE NLDTVNRLYG LNLTSFQVEE FFASVAEKVE QVRTSEDVVV SKVGRDLYNK DATA SEQUENCE FFRGYTRKQW GLDPSELDAS VTARVPTRTN RDNRYFADTY QAMPLHGYTR DATA SEQUENCE MFQNMLSSPN IKVMLNTDYR EIADFIPFQH MIYTGPVDAF FDFCYGKLPY DATA SEQUENCE RSLEFRHETH DTEQLLPTGT VNYPNDYAYT RVSEFKHITG QRHHQTSVVY DATA SEQUENCE EYPRAEGDPY YPVPRPENAE LYKKYEALAD AAQDVTFVGR LATYRYYNMD DATA SEQUENCE QVVAQALATF RRLQG 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 25 Q HA 0.000 nan 4.340 nan 0.000 0.214 25 Q C 0.000 175.992 176.000 -0.013 0.000 1.003 25 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 25 Q CB 0.000 28.731 28.738 -0.012 0.000 1.108 26 E N 0.234 120.424 120.200 -0.017 0.000 2.292 26 E HA 0.574 4.924 4.350 0.000 0.000 0.258 26 E C -0.970 175.617 176.600 -0.020 0.000 1.115 26 E CA -0.223 56.168 56.400 -0.016 0.000 0.929 26 E CB 1.466 31.155 29.700 -0.018 0.000 1.161 26 E HN 0.223 nan 8.360 nan 0.000 0.453 27 S N 0.991 116.681 115.700 -0.017 0.000 2.560 27 S HA -0.005 4.465 4.470 0.000 0.000 0.284 27 S C 0.896 175.474 174.600 -0.036 0.000 1.327 27 S CA 0.008 58.193 58.200 -0.025 0.000 1.055 27 S CB 0.492 63.679 63.200 -0.022 0.000 0.868 27 S HN 0.374 nan 8.310 nan 0.000 0.506 28 K N 2.015 122.391 120.400 -0.041 0.000 2.103 28 K HA 0.046 4.366 4.320 0.000 0.000 0.204 28 K C 1.608 178.184 176.600 -0.040 0.000 1.052 28 K CA 0.628 56.891 56.287 -0.041 0.000 0.945 28 K CB -0.468 32.010 32.500 -0.035 0.000 0.722 28 K HN 0.903 nan 8.250 nan 0.000 0.443 29 G N 1.349 110.099 108.800 -0.082 0.000 2.582 29 G HA2 -0.328 3.632 3.960 0.000 0.000 0.288 29 G HA3 -0.328 3.632 3.960 0.000 0.000 0.288 29 G C -0.115 174.686 174.900 -0.166 0.000 1.247 29 G CA 0.041 45.040 45.100 -0.169 0.000 0.972 29 G HN 0.199 nan 8.290 nan 0.000 0.557 30 F N 1.896 121.904 119.950 0.097 0.000 2.518 30 F HA 0.264 4.791 4.527 0.000 0.000 0.359 30 F C 1.845 177.695 175.800 0.083 0.000 1.118 30 F CA 0.463 58.525 58.000 0.104 0.000 1.287 30 F CB 0.625 39.701 39.000 0.127 0.000 1.132 30 F HN 0.401 nan 8.300 nan 0.000 0.587 31 D N 1.162 121.698 120.400 0.228 0.000 2.149 31 D HA -0.147 4.493 4.640 0.000 0.000 0.201 31 D C -0.324 175.840 176.300 -0.228 0.000 0.972 31 D CA 1.701 55.698 54.000 -0.004 0.000 0.835 31 D CB 0.086 40.900 40.800 0.024 0.000 0.966 31 D HN 0.349 nan 8.370 nan 0.000 0.476 32 Y N -0.437 120.013 120.300 0.250 0.000 2.442 32 Y HA 0.374 4.924 4.550 0.000 0.000 0.344 32 Y C -0.567 175.375 175.900 0.070 0.000 0.976 32 Y CA -1.154 57.057 58.100 0.186 0.000 1.040 32 Y CB 2.009 40.535 38.460 0.109 0.000 1.228 32 Y HN -0.264 nan 8.280 nan 0.000 0.451 33 L N 5.073 126.351 121.223 0.092 0.000 2.294 33 L HA 0.637 4.977 4.340 0.000 0.000 0.283 33 L C -1.418 175.328 176.870 -0.207 0.000 1.015 33 L CA -0.381 54.312 54.840 -0.244 0.000 0.831 33 L CB 0.255 41.852 42.059 -0.771 0.000 1.217 33 L HN 0.528 nan 8.230 nan 0.000 0.420 34 I N 5.778 126.243 120.570 -0.175 0.000 2.315 34 I HA 0.342 4.512 4.170 0.000 0.000 0.291 34 I C -0.491 175.493 176.117 -0.221 0.000 1.006 34 I CA -0.837 60.361 61.300 -0.169 0.000 1.265 34 I CB 1.658 39.578 38.000 -0.134 0.000 1.387 34 I HN 0.271 nan 8.210 nan 0.000 0.475 35 V N 5.629 125.388 119.914 -0.258 0.000 2.350 35 V HA 0.735 4.855 4.120 0.000 0.000 0.276 35 V C 0.460 176.371 176.094 -0.305 0.000 1.028 35 V CA -0.381 61.758 62.300 -0.269 0.000 0.860 35 V CB 0.728 32.358 31.823 -0.321 0.000 0.990 35 V HN 1.069 nan 8.190 nan 0.000 0.453 36 G N 4.166 112.819 108.800 -0.245 0.000 3.434 36 G HA2 0.250 4.210 3.960 0.000 0.000 0.686 36 G HA3 0.250 4.210 3.960 0.000 0.000 0.686 36 G C -0.064 174.706 174.900 -0.216 0.000 1.099 36 G CA -0.284 44.669 45.100 -0.246 0.000 0.931 36 G HN 1.463 nan 8.290 nan 0.000 0.520 37 A N 1.875 124.553 122.820 -0.237 0.000 2.640 37 A HA 0.737 5.057 4.320 0.000 0.000 0.282 37 A C 1.552 178.947 177.584 -0.315 0.000 1.357 37 A CA 1.234 53.127 52.037 -0.240 0.000 0.946 37 A CB -0.273 18.573 19.000 -0.255 0.000 1.065 37 A HN 2.072 nan 8.150 nan 0.000 0.541 38 G N -1.252 107.401 108.800 -0.245 0.000 2.494 38 G HA2 0.368 4.329 3.960 0.000 0.000 0.270 38 G HA3 0.368 4.329 3.960 0.000 0.000 0.270 38 G C 0.588 175.486 174.900 -0.004 0.000 1.423 38 G CA -0.428 44.531 45.100 -0.236 0.000 1.055 38 G HN 0.203 nan 8.290 nan 0.000 0.536 39 F N 0.693 120.769 119.950 0.210 0.000 2.134 39 F HA -0.071 4.456 4.527 0.000 0.000 0.299 39 F C 3.046 178.916 175.800 0.116 0.000 1.097 39 F CA 1.659 59.822 58.000 0.272 0.000 1.264 39 F CB -0.174 38.958 39.000 0.220 0.000 1.001 39 F HN 0.345 nan 8.300 nan 0.000 0.479 40 A N 0.357 123.319 122.820 0.237 0.000 1.851 40 A HA -0.133 4.187 4.320 0.000 0.000 0.216 40 A C 2.547 180.153 177.584 0.037 0.000 1.195 40 A CA 2.010 54.117 52.037 0.116 0.000 0.622 40 A CB -1.653 17.389 19.000 0.071 0.000 0.831 40 A HN 0.402 nan 8.150 nan 0.000 0.444 41 G N -1.004 107.784 108.800 -0.019 0.000 2.446 41 G HA2 -0.153 3.807 3.960 0.000 0.000 0.217 41 G HA3 -0.153 3.807 3.960 0.000 0.000 0.217 41 G C 1.857 176.723 174.900 -0.056 0.000 1.168 41 G CA 1.434 46.491 45.100 -0.072 0.000 0.771 41 G HN 0.498 nan 8.290 nan 0.000 0.551 42 S N -0.088 115.606 115.700 -0.009 0.000 2.368 42 S HA -0.082 4.388 4.470 0.000 0.000 0.224 42 S C 2.530 177.102 174.600 -0.047 0.000 1.029 42 S CA 1.031 59.224 58.200 -0.012 0.000 0.988 42 S CB -0.267 63.001 63.200 0.114 0.000 0.838 42 S HN 0.178 nan 8.310 nan 0.000 0.462 43 V N 2.109 122.031 119.914 0.013 0.000 2.252 43 V HA -0.206 3.914 4.120 0.000 0.000 0.249 43 V C 2.224 178.257 176.094 -0.101 0.000 1.056 43 V CA 1.727 64.027 62.300 -0.000 0.000 1.022 43 V CB -0.695 31.140 31.823 0.019 0.000 0.641 43 V HN 0.378 nan 8.190 nan 0.000 0.445 44 L N -0.172 120.987 121.223 -0.107 0.000 2.083 44 L HA -0.148 4.193 4.340 0.000 0.000 0.209 44 L C 2.646 179.395 176.870 -0.201 0.000 1.083 44 L CA 1.564 56.304 54.840 -0.167 0.000 0.752 44 L CB -0.704 41.282 42.059 -0.122 0.000 0.899 44 L HN 0.346 nan 8.230 nan 0.000 0.433 45 A N -0.622 122.109 122.820 -0.148 0.000 1.908 45 A HA -0.250 4.070 4.320 0.000 0.000 0.218 45 A C 2.336 179.842 177.584 -0.130 0.000 1.181 45 A CA 1.878 53.838 52.037 -0.128 0.000 0.627 45 A CB -0.495 18.443 19.000 -0.104 0.000 0.818 45 A HN 0.428 nan 8.150 nan 0.000 0.445 46 E N 0.105 120.219 120.200 -0.143 0.000 2.028 46 E HA -0.207 4.143 4.350 0.000 0.000 0.191 46 E C 2.223 178.730 176.600 -0.154 0.000 0.988 46 E CA 0.996 57.323 56.400 -0.121 0.000 0.799 46 E CB -0.311 29.296 29.700 -0.156 0.000 0.755 46 E HN 0.418 nan 8.360 nan 0.000 0.447 47 R N 0.285 120.597 120.500 -0.313 0.000 2.094 47 R HA -0.165 4.175 4.340 0.000 0.000 0.239 47 R C 2.505 178.423 176.300 -0.637 0.000 1.137 47 R CA 0.879 56.517 56.100 -0.770 0.000 0.943 47 R CB -1.209 28.129 30.300 -1.603 0.000 0.850 47 R HN 0.239 nan 8.270 nan 0.000 0.433 48 L N 0.658 121.649 121.223 -0.386 0.000 2.012 48 L HA -0.096 4.245 4.340 0.000 0.000 0.210 48 L C 2.495 179.386 176.870 0.034 0.000 1.073 48 L CA 2.004 56.812 54.840 -0.053 0.000 0.748 48 L CB -1.331 40.620 42.059 -0.180 0.000 0.891 48 L HN 0.203 nan 8.230 nan 0.000 0.431 49 A N -1.123 121.691 122.820 -0.011 0.000 1.972 49 A HA -0.191 4.129 4.320 0.000 0.000 0.219 49 A C 2.453 180.064 177.584 0.045 0.000 1.169 49 A CA 1.834 53.893 52.037 0.037 0.000 0.635 49 A CB -0.742 18.267 19.000 0.016 0.000 0.810 49 A HN 0.568 nan 8.150 nan 0.000 0.446 50 S N 0.034 115.745 115.700 0.019 0.000 2.489 50 S HA -0.077 4.393 4.470 0.000 0.000 0.228 50 S C 1.753 176.405 174.600 0.087 0.000 0.995 50 S CA 1.293 59.520 58.200 0.045 0.000 0.934 50 S CB -0.588 62.631 63.200 0.033 0.000 0.771 50 S HN 0.876 nan 8.310 nan 0.000 0.522 51 S N -0.038 115.739 115.700 0.127 0.000 2.575 51 S HA 0.487 4.957 4.470 0.000 0.000 0.215 51 S C 1.470 176.150 174.600 0.135 0.000 0.966 51 S CA 0.383 58.684 58.200 0.170 0.000 0.911 51 S CB -0.343 63.024 63.200 0.279 0.000 0.780 51 S HN 1.471 nan 8.310 nan 0.000 0.514 52 G N 0.502 109.372 108.800 0.117 0.000 2.159 52 G HA2 -0.179 3.781 3.960 0.000 0.000 0.227 52 G HA3 -0.179 3.781 3.960 0.000 0.000 0.227 52 G C -0.157 174.817 174.900 0.124 0.000 0.986 52 G CA -0.269 44.893 45.100 0.103 0.000 0.651 52 G HN 0.485 nan 8.290 nan 0.000 0.523 53 Q N 0.239 120.138 119.800 0.166 0.000 2.394 53 Q HA 0.398 4.738 4.340 0.000 0.000 0.248 53 Q C 0.726 176.849 176.000 0.205 0.000 0.992 53 Q CA 0.056 55.990 55.803 0.219 0.000 0.888 53 Q CB 0.678 29.629 28.738 0.356 0.000 1.257 53 Q HN 0.484 nan 8.270 nan 0.000 0.462 54 R N 0.610 121.246 120.500 0.227 0.000 2.254 54 R HA 0.485 4.825 4.340 0.000 0.000 0.318 54 R C -0.758 175.775 176.300 0.388 0.000 1.031 54 R CA -0.425 55.837 56.100 0.271 0.000 0.905 54 R CB 0.985 31.417 30.300 0.221 0.000 1.050 54 R HN 0.262 nan 8.270 nan 0.000 0.456 55 V N 4.968 125.070 119.914 0.314 0.000 2.588 55 V HA 0.317 4.437 4.120 0.000 0.000 0.304 55 V C -0.841 175.196 176.094 -0.096 0.000 1.042 55 V CA -0.927 61.470 62.300 0.162 0.000 0.877 55 V CB 1.945 33.812 31.823 0.074 0.000 0.996 55 V HN 0.493 nan 8.190 nan 0.000 0.425 56 L N 6.162 127.112 121.223 -0.455 0.000 2.305 56 L HA 0.673 5.013 4.340 0.000 0.000 0.284 56 L C -0.708 175.943 176.870 -0.365 0.000 1.013 56 L CA 0.036 54.454 54.840 -0.702 0.000 0.819 56 L CB 1.196 42.411 42.059 -1.407 0.000 1.227 56 L HN 0.671 nan 8.230 nan 0.000 0.417 57 I N 6.457 126.868 120.570 -0.264 0.000 2.378 57 I HA 0.597 4.767 4.170 0.000 0.000 0.291 57 I C -0.913 175.086 176.117 -0.197 0.000 0.992 57 I CA -0.719 60.459 61.300 -0.204 0.000 1.154 57 I CB 1.515 39.421 38.000 -0.156 0.000 1.315 57 I HN 0.573 nan 8.210 nan 0.000 0.448 58 V N 3.846 123.646 119.914 -0.191 0.000 2.769 58 V HA 0.713 4.833 4.120 0.000 0.000 0.312 58 V C -1.041 174.958 176.094 -0.159 0.000 1.061 58 V CA -0.517 61.686 62.300 -0.162 0.000 0.931 58 V CB 1.897 33.639 31.823 -0.135 0.000 1.010 58 V HN 0.725 nan 8.190 nan 0.000 0.433 59 D N 1.986 122.291 120.400 -0.160 0.000 2.934 59 D HA 0.314 4.954 4.640 0.000 0.000 0.230 59 D C 0.509 176.710 176.300 -0.165 0.000 1.204 59 D CA -0.637 53.253 54.000 -0.185 0.000 0.873 59 D CB 3.101 43.745 40.800 -0.260 0.000 1.645 59 D HN 0.739 nan 8.370 nan 0.000 0.502 60 R N 2.270 122.687 120.500 -0.138 0.000 2.152 60 R HA -0.035 4.305 4.340 0.000 0.000 0.232 60 R C 0.455 176.667 176.300 -0.148 0.000 1.117 60 R CA 0.821 56.855 56.100 -0.109 0.000 0.981 60 R CB 0.307 30.562 30.300 -0.074 0.000 0.870 60 R HN 0.313 nan 8.270 nan 0.000 0.451 61 R N 0.284 120.640 120.500 -0.240 0.000 2.560 61 R HA 0.100 4.440 4.340 0.000 0.000 0.270 61 R C -1.836 174.254 176.300 -0.350 0.000 1.074 61 R CA -1.526 54.371 56.100 -0.338 0.000 1.140 61 R CB 0.464 30.392 30.300 -0.620 0.000 1.073 61 R HN 0.083 nan 8.270 nan 0.000 0.527 62 P HA 0.025 nan 4.420 nan 0.000 0.255 62 P C -1.284 175.901 177.300 -0.192 0.000 1.357 62 P CA 0.480 63.473 63.100 -0.180 0.000 0.839 62 P CB 0.011 31.669 31.700 -0.071 0.000 1.356 63 H N -1.584 117.311 119.070 -0.292 0.000 3.017 63 H HA 0.554 5.110 4.556 0.000 0.000 0.346 63 H C 0.116 175.212 175.328 -0.386 0.000 1.286 63 H CA -1.376 54.430 56.048 -0.405 0.000 1.120 63 H CB 0.199 29.441 29.762 -0.868 0.000 1.860 63 H HN -0.161 nan 8.280 nan 0.000 0.542 64 I N -1.550 118.935 120.570 -0.141 0.000 3.276 64 I HA 0.652 4.822 4.170 0.000 0.000 0.306 64 I C 1.134 177.092 176.117 -0.265 0.000 1.060 64 I CA -0.107 61.063 61.300 -0.216 0.000 1.133 64 I CB 0.729 38.632 38.000 -0.161 0.000 1.473 64 I HN 1.110 nan 8.210 nan 0.000 0.649 65 G N 0.576 108.902 108.800 -0.790 0.000 2.232 65 G HA2 -0.022 3.938 3.960 0.000 0.000 0.226 65 G HA3 -0.022 3.938 3.960 0.000 0.000 0.226 65 G C 0.956 175.344 174.900 -0.853 0.000 0.996 65 G CA 0.194 44.474 45.100 -1.368 0.000 0.626 65 G HN 2.104 nan 8.290 nan 0.000 0.509 66 G N 0.960 109.470 108.800 -0.483 0.000 2.611 66 G HA2 -0.384 3.576 3.960 0.000 0.000 0.301 66 G HA3 -0.384 3.576 3.960 0.000 0.000 0.301 66 G C 0.975 175.650 174.900 -0.373 0.000 1.233 66 G CA 1.105 45.990 45.100 -0.357 0.000 0.993 66 G HN 1.120 nan 8.290 nan 0.000 0.553 67 N N 1.118 119.604 118.700 -0.357 0.000 2.188 67 N HA 0.059 4.799 4.740 0.000 0.000 0.184 67 N C 2.392 177.549 175.510 -0.588 0.000 1.018 67 N CA 1.947 54.733 53.050 -0.440 0.000 0.858 67 N CB -0.675 37.732 38.487 -0.133 0.000 0.989 67 N HN 0.973 nan 8.380 nan 0.000 0.426 68 A N 0.165 122.614 122.820 -0.618 0.000 2.239 68 A HA -0.093 4.227 4.320 0.000 0.000 0.209 68 A C 0.427 177.694 177.584 -0.529 0.000 1.171 68 A CA -0.198 51.341 52.037 -0.831 0.000 0.768 68 A CB -0.882 17.848 19.000 -0.451 0.000 0.790 68 A HN 0.339 nan 8.150 nan 0.000 0.478 69 Y N 2.560 122.584 120.300 -0.459 0.000 2.895 69 Y HA 0.200 4.750 4.550 0.000 0.000 0.334 69 Y C 0.036 175.776 175.900 -0.267 0.000 1.261 69 Y CA -0.079 57.823 58.100 -0.331 0.000 1.560 69 Y CB 0.174 38.420 38.460 -0.356 0.000 1.253 69 Y HN 0.550 nan 8.280 nan 0.000 0.582 70 D N 4.360 124.240 120.400 -0.865 0.000 2.477 70 D HA 0.610 5.250 4.640 0.000 0.000 0.234 70 D C -1.062 174.642 176.300 -0.993 0.000 1.048 70 D CA -0.582 52.950 54.000 -0.779 0.000 0.959 70 D CB 1.199 41.780 40.800 -0.365 0.000 1.408 70 D HN 0.715 nan 8.370 nan 0.000 0.496 71 C N -1.817 117.089 119.300 -0.657 0.000 3.312 71 C HA 0.664 5.125 4.460 0.000 0.000 0.332 71 C C -1.343 173.455 174.990 -0.320 0.000 1.340 71 C CA -1.139 57.626 59.018 -0.423 0.000 1.265 71 C CB -0.174 27.352 27.740 -0.357 0.000 1.563 71 C HN 0.641 nan 8.230 nan 0.000 0.471 72 Y N 2.287 122.470 120.300 -0.195 0.000 2.319 72 Y HA 0.438 4.988 4.550 0.000 0.000 0.328 72 Y C 1.124 176.930 175.900 -0.155 0.000 1.133 72 Y CA 0.775 58.782 58.100 -0.156 0.000 1.265 72 Y CB 0.835 39.239 38.460 -0.093 0.000 1.218 72 Y HN 0.883 nan 8.280 nan 0.000 0.508 73 D N 0.058 120.422 120.400 -0.060 0.000 2.511 73 D HA 0.034 4.674 4.640 0.000 0.000 0.276 73 D C 0.270 176.554 176.300 -0.027 0.000 1.220 73 D CA -0.369 53.573 54.000 -0.096 0.000 1.077 73 D CB 0.359 41.056 40.800 -0.171 0.000 1.126 73 D HN 0.421 nan 8.370 nan 0.000 0.583 74 D N -1.094 119.282 120.400 -0.040 0.000 2.265 74 D HA -0.027 4.613 4.640 0.000 0.000 0.208 74 D C 1.341 177.650 176.300 0.014 0.000 0.977 74 D CA 1.602 55.597 54.000 -0.009 0.000 0.871 74 D CB -0.242 40.550 40.800 -0.014 0.000 0.925 74 D HN 0.499 nan 8.370 nan 0.000 0.485 75 A N -1.047 121.772 122.820 -0.002 0.000 2.348 75 A HA 0.513 4.833 4.320 0.000 0.000 0.224 75 A C 1.651 179.303 177.584 0.114 0.000 1.227 75 A CA 0.714 52.769 52.037 0.030 0.000 0.885 75 A CB 0.118 19.091 19.000 -0.043 0.000 0.933 75 A HN 0.185 nan 8.150 nan 0.000 0.506 76 G N -1.142 107.727 108.800 0.116 0.000 2.132 76 G HA2 -0.166 3.794 3.960 0.000 0.000 0.234 76 G HA3 -0.166 3.794 3.960 0.000 0.000 0.234 76 G C -0.002 175.044 174.900 0.244 0.000 0.989 76 G CA 0.075 45.331 45.100 0.260 0.000 0.676 76 G HN 0.848 nan 8.290 nan 0.000 0.522 77 V N 1.515 121.379 119.914 -0.084 0.000 2.364 77 V HA 0.562 4.682 4.120 0.000 0.000 0.272 77 V C 0.871 176.738 176.094 -0.378 0.000 1.036 77 V CA -0.881 61.256 62.300 -0.271 0.000 0.880 77 V CB 1.490 33.077 31.823 -0.393 0.000 0.991 77 V HN 0.489 nan 8.190 nan 0.000 0.460 78 L N 8.139 128.973 121.223 -0.649 0.000 2.584 78 L HA 0.283 4.623 4.340 0.000 0.000 0.272 78 L C -0.143 176.379 176.870 -0.580 0.000 1.195 78 L CA 0.993 55.308 54.840 -0.876 0.000 0.920 78 L CB -0.381 41.179 42.059 -0.831 0.000 1.173 78 L HN 0.675 nan 8.230 nan 0.000 0.489 79 I N 1.053 121.231 120.570 -0.654 0.000 3.174 79 I HA 0.504 4.674 4.170 0.000 0.000 0.313 79 I C -1.065 174.625 176.117 -0.711 0.000 1.155 79 I CA -0.940 59.707 61.300 -1.088 0.000 0.977 79 I CB 2.193 39.565 38.000 -1.047 0.000 1.248 79 I HN 0.553 nan 8.210 nan 0.000 0.453 80 H N 1.990 120.304 119.070 -1.260 0.000 2.623 80 H HA 0.296 4.852 4.556 0.000 0.000 0.299 80 H C -2.116 173.013 175.328 -0.331 0.000 1.052 80 H CA -1.945 53.828 56.048 -0.459 0.000 1.231 80 H CB 1.348 31.141 29.762 0.051 0.000 1.389 80 H HN 0.421 nan 8.280 nan 0.000 0.469 81 P HA -0.168 nan 4.420 nan 0.000 0.220 81 P C -0.131 176.815 177.300 -0.591 0.000 1.148 81 P CA 1.318 64.124 63.100 -0.491 0.000 0.803 81 P CB 0.109 31.420 31.700 -0.649 0.000 0.782 82 Y N -0.582 119.514 120.300 -0.340 0.000 2.781 82 Y HA 0.521 5.071 4.550 0.000 0.000 0.326 82 Y C 1.327 176.703 175.900 -0.873 0.000 1.019 82 Y CA -0.251 57.382 58.100 -0.780 0.000 1.372 82 Y CB -0.134 38.188 38.460 -0.230 0.000 1.260 82 Y HN -0.075 nan 8.280 nan 0.000 0.546 83 G N 1.609 109.983 108.800 -0.710 0.000 2.758 83 G HA2 -0.179 3.782 3.960 0.000 0.000 0.686 83 G HA3 -0.179 3.782 3.960 0.000 0.000 0.686 83 G C -3.062 172.030 174.900 0.320 0.000 1.389 83 G CA -1.454 43.592 45.100 -0.091 0.000 0.845 83 G HN 0.062 nan 8.290 nan 0.000 0.572 84 P HA 0.274 nan 4.420 nan 0.000 0.276 84 P C -0.670 176.836 177.300 0.343 0.000 1.243 84 P CA 0.266 63.581 63.100 0.357 0.000 0.768 84 P CB 0.460 32.164 31.700 0.006 0.000 0.856 85 H N 2.938 122.401 119.070 0.655 0.000 2.623 85 H HA 0.425 4.981 4.556 0.000 0.000 0.299 85 H C -0.087 175.572 175.328 0.552 0.000 1.052 85 H CA -0.352 55.931 56.048 0.393 0.000 1.231 85 H CB 0.170 29.950 29.762 0.031 0.000 1.389 85 H HN 0.254 nan 8.280 nan 0.000 0.469 86 I N 3.829 124.672 120.570 0.456 0.000 2.312 86 I HA 0.110 4.280 4.170 0.000 0.000 0.290 86 I C -0.291 176.120 176.117 0.490 0.000 1.008 86 I CA -0.450 61.140 61.300 0.483 0.000 1.226 86 I CB 0.319 38.522 38.000 0.338 0.000 1.371 86 I HN 0.426 nan 8.210 nan 0.000 0.468 87 F N 7.544 127.767 119.950 0.454 0.000 2.412 87 F HA 0.493 5.020 4.527 0.000 0.000 0.348 87 F C 0.097 176.014 175.800 0.196 0.000 1.102 87 F CA 0.200 58.385 58.000 0.309 0.000 1.196 87 F CB 0.230 39.501 39.000 0.451 0.000 1.144 87 F HN 0.674 nan 8.300 nan 0.000 0.541 88 H N 1.448 119.933 119.070 -0.975 0.000 3.123 88 H HA 0.544 5.100 4.556 0.000 0.000 0.346 88 H C -1.330 173.484 175.328 -0.856 0.000 1.138 88 H CA -0.948 54.668 56.048 -0.720 0.000 1.273 88 H CB 1.485 30.808 29.762 -0.732 0.000 1.926 88 H HN 0.617 nan 8.280 nan 0.000 0.524 89 T N 1.161 115.449 114.554 -0.442 0.000 2.853 89 T HA 0.287 4.637 4.350 0.000 0.000 0.311 89 T C -0.495 174.211 174.700 0.010 0.000 1.307 89 T CA -0.786 61.145 62.100 -0.282 0.000 1.019 89 T CB 1.415 70.147 68.868 -0.226 0.000 1.264 89 T HN 0.749 nan 8.240 nan 0.000 0.497 90 N N 1.020 119.734 118.700 0.025 0.000 2.236 90 N HA 0.128 4.868 4.740 0.000 0.000 0.196 90 N C 0.046 175.671 175.510 0.191 0.000 1.114 90 N CA 0.049 53.160 53.050 0.102 0.000 0.859 90 N CB 0.855 39.351 38.487 0.016 0.000 0.982 90 N HN 0.459 nan 8.380 nan 0.000 0.493 91 S N 0.932 116.699 115.700 0.111 0.000 2.411 91 S HA 0.162 4.632 4.470 0.000 0.000 0.294 91 S C 1.245 175.842 174.600 -0.005 0.000 1.115 91 S CA -0.502 57.736 58.200 0.063 0.000 1.071 91 S CB 1.187 64.391 63.200 0.008 0.000 0.967 91 S HN 0.102 nan 8.310 nan 0.000 0.488 92 K N 3.627 124.040 120.400 0.023 0.000 2.057 92 K HA -0.134 4.186 4.320 0.000 0.000 0.207 92 K C 0.887 177.455 176.600 -0.053 0.000 1.049 92 K CA 1.718 57.934 56.287 -0.118 0.000 0.931 92 K CB -0.115 32.422 32.500 0.062 0.000 0.714 92 K HN 0.657 nan 8.250 nan 0.000 0.440 93 D N 0.268 120.674 120.400 0.009 0.000 2.104 93 D HA -0.157 4.483 4.640 0.000 0.000 0.194 93 D C 1.947 178.288 176.300 0.069 0.000 0.994 93 D CA 1.159 55.181 54.000 0.036 0.000 0.830 93 D CB -0.155 40.663 40.800 0.030 0.000 0.959 93 D HN 0.040 nan 8.370 nan 0.000 0.452 94 V N 0.583 120.536 119.914 0.065 0.000 2.358 94 V HA -0.199 3.921 4.120 0.000 0.000 0.246 94 V C 2.182 178.392 176.094 0.193 0.000 1.047 94 V CA 1.194 63.576 62.300 0.137 0.000 1.035 94 V CB -0.540 31.352 31.823 0.115 0.000 0.658 94 V HN 0.109 nan 8.190 nan 0.000 0.452 95 F N 0.960 120.855 119.950 -0.092 0.000 2.186 95 F HA -0.145 4.382 4.527 0.000 0.000 0.299 95 F C 2.415 178.131 175.800 -0.139 0.000 1.090 95 F CA 1.790 59.653 58.000 -0.228 0.000 1.307 95 F CB 0.044 38.630 39.000 -0.689 0.000 1.019 95 F HN 0.193 nan 8.300 nan 0.000 0.489 96 E N -1.119 119.001 120.200 -0.133 0.000 2.216 96 E HA -0.220 4.130 4.350 0.000 0.000 0.192 96 E C 1.766 178.307 176.600 -0.098 0.000 0.988 96 E CA 0.975 57.286 56.400 -0.148 0.000 0.834 96 E CB -0.384 29.287 29.700 -0.049 0.000 0.772 96 E HN 0.615 nan 8.360 nan 0.000 0.479 97 Y N 1.113 121.362 120.300 -0.085 0.000 2.163 97 Y HA -0.200 4.350 4.550 0.000 0.000 0.288 97 Y C 1.974 177.882 175.900 0.013 0.000 1.136 97 Y CA 1.097 59.182 58.100 -0.025 0.000 1.147 97 Y CB -0.090 38.401 38.460 0.052 0.000 0.987 97 Y HN -0.031 nan 8.280 nan 0.000 0.509 98 L N -0.187 121.059 121.223 0.038 0.000 2.291 98 L HA -0.102 4.238 4.340 0.000 0.000 0.214 98 L C 2.377 179.208 176.870 -0.065 0.000 1.120 98 L CA 1.517 56.398 54.840 0.068 0.000 0.799 98 L CB -0.953 41.214 42.059 0.182 0.000 0.925 98 L HN 0.175 nan 8.230 nan 0.000 0.446 99 S N -0.744 114.879 115.700 -0.128 0.000 2.442 99 S HA -0.123 4.347 4.470 0.000 0.000 0.236 99 S C 1.875 176.257 174.600 -0.364 0.000 1.007 99 S CA 0.593 58.708 58.200 -0.141 0.000 0.965 99 S CB -0.242 62.862 63.200 -0.161 0.000 0.773 99 S HN 0.452 nan 8.310 nan 0.000 0.504 100 R N 0.002 120.132 120.500 -0.617 0.000 2.249 100 R HA -0.046 4.294 4.340 0.000 0.000 0.230 100 R C 0.588 176.244 176.300 -1.073 0.000 1.121 100 R CA 1.110 56.626 56.100 -0.974 0.000 0.997 100 R CB -0.293 29.133 30.300 -1.457 0.000 0.867 100 R HN 0.481 nan 8.270 nan 0.000 0.465 101 F N -1.532 118.214 119.950 -0.341 0.000 2.798 101 F HA 0.287 4.814 4.527 0.000 0.000 0.328 101 F C 0.408 175.993 175.800 -0.359 0.000 1.098 101 F CA -0.369 57.436 58.000 -0.326 0.000 1.172 101 F CB 1.268 40.060 39.000 -0.346 0.000 1.072 101 F HN -0.243 nan 8.300 nan 0.000 0.555 102 T N -0.111 114.237 114.554 -0.343 0.000 2.893 102 T HA 0.305 4.655 4.350 0.000 0.000 0.337 102 T C -1.237 173.061 174.700 -0.671 0.000 1.587 102 T CA -0.539 61.255 62.100 -0.511 0.000 1.066 102 T CB 1.575 69.987 68.868 -0.759 0.000 1.414 102 T HN 0.047 nan 8.240 nan 0.000 0.488 103 E N 0.896 120.763 120.200 -0.555 0.000 2.254 103 E HA 0.558 4.908 4.350 0.000 0.000 0.261 103 E C -1.066 175.107 176.600 -0.712 0.000 1.051 103 E CA -0.668 55.441 56.400 -0.485 0.000 0.902 103 E CB 1.198 30.791 29.700 -0.177 0.000 1.168 103 E HN 0.468 nan 8.360 nan 0.000 0.423 104 W N 0.667 121.943 121.300 -0.039 0.000 2.666 104 W HA 0.403 5.063 4.660 0.000 0.000 0.334 104 W C -0.050 176.484 176.519 0.024 0.000 1.051 104 W CA -0.773 56.583 57.345 0.019 0.000 1.224 104 W CB 1.034 30.593 29.460 0.164 0.000 1.405 104 W HN 0.126 nan 8.180 nan 0.000 0.513 105 R N 3.531 124.188 120.500 0.262 0.000 2.246 105 R HA 0.384 4.724 4.340 0.000 0.000 0.332 105 R C -2.568 173.910 176.300 0.296 0.000 0.974 105 R CA -1.766 54.452 56.100 0.197 0.000 0.837 105 R CB 0.884 31.234 30.300 0.084 0.000 1.145 105 R HN 0.126 nan 8.270 nan 0.000 0.467 106 P HA -0.021 nan 4.420 nan 0.000 0.264 106 P C -1.631 175.863 177.300 0.322 0.000 1.193 106 P CA 0.391 63.644 63.100 0.254 0.000 0.763 106 P CB 0.148 31.951 31.700 0.171 0.000 0.810 107 Y N 1.675 122.075 120.300 0.166 0.000 2.424 107 Y HA 0.279 4.829 4.550 0.000 0.000 0.323 107 Y C -1.555 174.459 175.900 0.190 0.000 1.174 107 Y CA -0.569 57.636 58.100 0.176 0.000 1.060 107 Y CB 1.669 40.255 38.460 0.209 0.000 1.314 107 Y HN 0.314 nan 8.280 nan 0.000 0.439 108 Q N 5.054 124.570 119.800 -0.474 0.000 2.381 108 Q HA 0.230 4.570 4.340 0.000 0.000 0.263 108 Q C -1.318 174.279 176.000 -0.671 0.000 1.030 108 Q CA -1.013 54.544 55.803 -0.409 0.000 0.772 108 Q CB 1.522 30.161 28.738 -0.165 0.000 1.232 108 Q HN 0.670 nan 8.270 nan 0.000 0.476 109 H N 2.486 121.168 119.070 -0.646 0.000 2.848 109 H HA 0.183 4.739 4.556 0.000 0.000 0.341 109 H C -0.732 174.462 175.328 -0.223 0.000 1.060 109 H CA 0.629 56.448 56.048 -0.382 0.000 1.444 109 H CB 0.510 30.320 29.762 0.078 0.000 1.446 109 H HN 0.415 nan 8.280 nan 0.000 0.583 110 R N 3.423 123.595 120.500 -0.547 0.000 2.561 110 R HA 0.492 4.832 4.340 0.000 0.000 0.297 110 R C -1.340 174.613 176.300 -0.578 0.000 0.969 110 R CA -0.976 54.859 56.100 -0.441 0.000 0.879 110 R CB 2.053 32.198 30.300 -0.258 0.000 1.178 110 R HN 0.312 nan 8.270 nan 0.000 0.445 111 V N 4.212 123.854 119.914 -0.454 0.000 2.555 111 V HA 0.459 4.579 4.120 0.000 0.000 0.302 111 V C -0.851 175.076 176.094 -0.277 0.000 1.038 111 V CA -0.918 61.112 62.300 -0.450 0.000 0.887 111 V CB 1.909 33.370 31.823 -0.603 0.000 0.991 111 V HN 0.436 nan 8.190 nan 0.000 0.434 112 L N 3.577 124.641 121.223 -0.264 0.000 2.341 112 L HA 0.826 5.167 4.340 0.000 0.000 0.278 112 L C 0.264 177.009 176.870 -0.207 0.000 1.005 112 L CA -0.466 54.255 54.840 -0.198 0.000 0.818 112 L CB 1.530 43.476 42.059 -0.189 0.000 1.259 112 L HN 0.806 nan 8.230 nan 0.000 0.418 113 A N 1.910 124.655 122.820 -0.126 0.000 2.305 113 A HA 0.622 4.942 4.320 0.000 0.000 0.322 113 A C -0.048 177.445 177.584 -0.152 0.000 1.187 113 A CA -0.401 51.560 52.037 -0.126 0.000 0.825 113 A CB 0.894 19.919 19.000 0.042 0.000 1.164 113 A HN 0.611 nan 8.150 nan 0.000 0.498 114 S N 1.829 117.371 115.700 -0.262 0.000 2.411 114 S HA 0.482 4.952 4.470 0.000 0.000 0.304 114 S C -0.604 173.918 174.600 -0.130 0.000 1.098 114 S CA -0.289 57.797 58.200 -0.189 0.000 1.068 114 S CB -0.617 62.450 63.200 -0.222 0.000 1.032 114 S HN 0.640 nan 8.310 nan 0.000 0.511 115 V N 5.096 124.921 119.914 -0.148 0.000 2.588 115 V HA 0.382 4.502 4.120 0.000 0.000 0.304 115 V C -0.369 175.642 176.094 -0.138 0.000 1.042 115 V CA -0.801 61.367 62.300 -0.221 0.000 0.877 115 V CB 1.810 33.344 31.823 -0.481 0.000 0.996 115 V HN 0.879 nan 8.190 nan 0.000 0.425 116 D N 3.715 124.048 120.400 -0.112 0.000 2.751 116 D HA -0.193 4.447 4.640 0.000 0.000 0.233 116 D C 1.345 177.623 176.300 -0.038 0.000 1.149 116 D CA 1.840 55.799 54.000 -0.068 0.000 0.682 116 D CB -1.079 39.678 40.800 -0.071 0.000 1.068 116 D HN 1.502 nan 8.370 nan 0.000 0.429 117 G N -0.642 108.146 108.800 -0.021 0.000 2.166 117 G HA2 -0.371 3.590 3.960 0.000 0.000 0.260 117 G HA3 -0.371 3.590 3.960 0.000 0.000 0.260 117 G C 0.214 175.110 174.900 -0.005 0.000 0.986 117 G CA 0.924 46.027 45.100 0.005 0.000 0.683 117 G HN 0.527 nan 8.290 nan 0.000 0.527 118 Q N -1.150 118.633 119.800 -0.028 0.000 2.301 118 Q HA 0.722 5.062 4.340 0.000 0.000 0.267 118 Q C 0.215 176.188 176.000 -0.045 0.000 1.035 118 Q CA -0.879 54.905 55.803 -0.031 0.000 0.856 118 Q CB 1.687 30.404 28.738 -0.035 0.000 1.337 118 Q HN 0.275 nan 8.270 nan 0.000 0.450 119 L N 2.905 124.100 121.223 -0.047 0.000 2.268 119 L HA 0.320 4.660 4.340 0.000 0.000 0.289 119 L C -1.127 175.712 176.870 -0.053 0.000 1.064 119 L CA -0.544 54.253 54.840 -0.071 0.000 0.824 119 L CB 0.150 42.159 42.059 -0.084 0.000 1.202 119 L HN 0.258 nan 8.230 nan 0.000 0.433 120 L N 5.769 126.976 121.223 -0.026 0.000 2.334 120 L HA 0.614 4.954 4.340 0.000 0.000 0.276 120 L C -2.177 174.680 176.870 -0.023 0.000 1.014 120 L CA -2.567 52.280 54.840 0.010 0.000 0.815 120 L CB 1.372 43.509 42.059 0.130 0.000 1.268 120 L HN 0.218 nan 8.230 nan 0.000 0.428 121 P HA 0.241 nan 4.420 nan 0.000 0.268 121 P C -0.890 176.315 177.300 -0.157 0.000 1.205 121 P CA 0.003 63.035 63.100 -0.113 0.000 0.771 121 P CB 0.712 32.343 31.700 -0.114 0.000 0.858 122 I N 4.468 124.950 120.570 -0.147 0.000 2.534 122 I HA 0.473 4.643 4.170 0.000 0.000 0.288 122 I C -2.760 173.313 176.117 -0.074 0.000 1.077 122 I CA -3.611 57.586 61.300 -0.172 0.000 1.051 122 I CB 1.913 39.821 38.000 -0.153 0.000 1.234 122 I HN 0.172 nan 8.210 nan 0.000 0.425 123 P HA 0.187 nan 4.420 nan 0.000 0.268 123 P C -0.414 176.751 177.300 -0.224 0.000 1.208 123 P CA 0.112 63.083 63.100 -0.215 0.000 0.777 123 P CB 0.343 31.902 31.700 -0.235 0.000 0.875 124 I N 2.797 123.214 120.570 -0.256 0.000 2.683 124 I HA 0.025 4.195 4.170 0.000 0.000 0.286 124 I C 1.141 177.192 176.117 -0.110 0.000 1.175 124 I CA 0.789 61.920 61.300 -0.281 0.000 1.429 124 I CB -0.110 37.730 38.000 -0.267 0.000 1.371 124 I HN 0.541 nan 8.210 nan 0.000 0.569 125 N N 5.741 124.400 118.700 -0.068 0.000 3.278 125 N HA 0.188 4.928 4.740 0.000 0.000 0.307 125 N C 0.262 175.782 175.510 0.017 0.000 1.551 125 N CA -0.875 52.173 53.050 -0.003 0.000 0.794 125 N CB 0.362 38.814 38.487 -0.058 0.000 1.770 125 N HN 0.375 nan 8.380 nan 0.000 0.612 126 L N 0.029 121.244 121.223 -0.014 0.000 2.042 126 L HA -0.123 4.217 4.340 0.000 0.000 0.210 126 L C 0.539 177.370 176.870 -0.064 0.000 1.076 126 L CA 2.270 57.077 54.840 -0.054 0.000 0.749 126 L CB -0.851 41.160 42.059 -0.080 0.000 0.893 126 L HN 0.533 nan 8.230 nan 0.000 0.432 127 D N -0.778 119.586 120.400 -0.061 0.000 2.123 127 D HA -0.123 4.517 4.640 0.000 0.000 0.200 127 D C 2.022 178.287 176.300 -0.058 0.000 0.976 127 D CA 1.636 55.599 54.000 -0.061 0.000 0.831 127 D CB -0.044 40.720 40.800 -0.061 0.000 0.974 127 D HN 0.338 nan 8.370 nan 0.000 0.469 128 T N 1.081 115.598 114.554 -0.062 0.000 2.665 128 T HA -0.135 4.215 4.350 0.000 0.000 0.268 128 T C 2.262 176.935 174.700 -0.045 0.000 1.035 128 T CA 1.015 63.078 62.100 -0.061 0.000 1.151 128 T CB -0.402 68.377 68.868 -0.147 0.000 0.862 128 T HN -0.022 nan 8.240 nan 0.000 0.438 129 V N 2.144 122.041 119.914 -0.028 0.000 2.307 129 V HA -0.142 3.978 4.120 0.000 0.000 0.245 129 V C 2.464 178.515 176.094 -0.072 0.000 1.045 129 V CA 1.507 63.791 62.300 -0.026 0.000 1.024 129 V CB -0.579 31.237 31.823 -0.012 0.000 0.651 129 V HN 0.426 nan 8.190 nan 0.000 0.449 130 N N 0.261 118.913 118.700 -0.081 0.000 2.120 130 N HA -0.133 4.607 4.740 0.000 0.000 0.188 130 N C 2.011 177.491 175.510 -0.049 0.000 1.024 130 N CA 1.304 54.313 53.050 -0.069 0.000 0.852 130 N CB -0.354 38.089 38.487 -0.073 0.000 1.003 130 N HN 0.400 nan 8.380 nan 0.000 0.424 131 R N 0.131 120.597 120.500 -0.057 0.000 2.115 131 R HA -0.020 4.320 4.340 0.000 0.000 0.230 131 R C 2.000 178.259 176.300 -0.068 0.000 1.111 131 R CA 0.593 56.663 56.100 -0.050 0.000 0.976 131 R CB -0.258 30.016 30.300 -0.043 0.000 0.870 131 R HN 0.130 nan 8.270 nan 0.000 0.445 132 L N -1.048 120.093 121.223 -0.138 0.000 2.095 132 L HA -0.086 4.254 4.340 0.000 0.000 0.204 132 L C 1.076 177.805 176.870 -0.235 0.000 1.080 132 L CA 1.766 56.456 54.840 -0.249 0.000 0.759 132 L CB -0.091 41.707 42.059 -0.435 0.000 0.914 132 L HN 0.105 nan 8.230 nan 0.000 0.439 133 Y N -0.098 120.206 120.300 0.006 0.000 2.449 133 Y HA 0.480 5.030 4.550 0.000 0.000 0.254 133 Y C 1.680 177.562 175.900 -0.030 0.000 1.140 133 Y CA -0.373 57.721 58.100 -0.009 0.000 1.272 133 Y CB -0.304 38.133 38.460 -0.038 0.000 1.114 133 Y HN 0.193 nan 8.280 nan 0.000 0.525 134 G N 1.162 110.013 108.800 0.086 0.000 2.256 134 G HA2 -0.252 3.708 3.960 0.000 0.000 0.272 134 G HA3 -0.252 3.708 3.960 0.000 0.000 0.272 134 G C -0.162 174.747 174.900 0.015 0.000 1.076 134 G CA 0.157 45.279 45.100 0.036 0.000 0.882 134 G HN 0.252 nan 8.290 nan 0.000 0.497 135 L N -0.849 120.371 121.223 -0.005 0.000 2.440 135 L HA 0.586 4.926 4.340 0.000 0.000 0.262 135 L C 0.848 177.684 176.870 -0.057 0.000 1.072 135 L CA -1.108 53.700 54.840 -0.054 0.000 0.798 135 L CB 0.826 42.808 42.059 -0.128 0.000 1.307 135 L HN 0.119 nan 8.230 nan 0.000 0.475 136 N N 1.226 119.887 118.700 -0.065 0.000 2.622 136 N HA 0.301 5.041 4.740 0.000 0.000 0.304 136 N C -0.933 174.541 175.510 -0.059 0.000 1.844 136 N CA -0.104 52.915 53.050 -0.052 0.000 0.886 136 N CB 0.986 39.453 38.487 -0.033 0.000 1.366 136 N HN 0.371 nan 8.380 nan 0.000 0.491 137 L N 1.060 122.227 121.223 -0.092 0.000 2.452 137 L HA 0.221 4.561 4.340 0.000 0.000 0.267 137 L C 1.587 178.421 176.870 -0.061 0.000 1.188 137 L CA -0.032 54.753 54.840 -0.091 0.000 0.821 137 L CB 0.467 42.427 42.059 -0.165 0.000 1.102 137 L HN 0.172 nan 8.230 nan 0.000 0.470 138 T N -1.826 112.717 114.554 -0.018 0.000 2.847 138 T HA 0.149 4.499 4.350 0.000 0.000 0.279 138 T C 1.159 175.820 174.700 -0.066 0.000 0.984 138 T CA -0.525 61.577 62.100 0.003 0.000 0.988 138 T CB 1.386 70.335 68.868 0.136 0.000 1.040 138 T HN 0.555 nan 8.240 nan 0.000 0.528 139 S N 0.418 116.012 115.700 -0.177 0.000 2.374 139 S HA -0.072 4.398 4.470 0.000 0.000 0.227 139 S C 1.515 175.958 174.600 -0.261 0.000 1.037 139 S CA 1.423 59.450 58.200 -0.289 0.000 1.024 139 S CB -0.776 62.134 63.200 -0.483 0.000 0.861 139 S HN 0.681 nan 8.310 nan 0.000 0.456 140 F N 1.734 121.668 119.950 -0.026 0.000 2.134 140 F HA -0.099 4.428 4.527 0.000 0.000 0.299 140 F C 2.673 178.459 175.800 -0.023 0.000 1.097 140 F CA 0.968 58.958 58.000 -0.017 0.000 1.264 140 F CB -0.772 38.220 39.000 -0.015 0.000 1.001 140 F HN 0.199 nan 8.300 nan 0.000 0.479 141 Q N -0.424 119.458 119.800 0.137 0.000 2.172 141 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 141 Q C 2.436 178.427 176.000 -0.014 0.000 0.964 141 Q CA 1.176 57.011 55.803 0.055 0.000 0.855 141 Q CB -0.437 28.316 28.738 0.025 0.000 0.918 141 Q HN 0.339 nan 8.270 nan 0.000 0.444 142 V N 0.814 120.667 119.914 -0.101 0.000 2.626 142 V HA -0.245 3.876 4.120 0.000 0.000 0.252 142 V C 1.956 177.879 176.094 -0.285 0.000 1.067 142 V CA 1.716 63.856 62.300 -0.268 0.000 1.081 142 V CB -0.099 31.513 31.823 -0.350 0.000 0.686 142 V HN 0.359 nan 8.190 nan 0.000 0.468 143 E N -0.115 120.048 120.200 -0.061 0.000 2.058 143 E HA -0.280 4.070 4.350 0.000 0.000 0.194 143 E C 2.116 178.768 176.600 0.088 0.000 0.997 143 E CA 2.006 58.452 56.400 0.076 0.000 0.801 143 E CB -0.072 29.681 29.700 0.089 0.000 0.746 143 E HN 0.762 nan 8.360 nan 0.000 0.450 144 E N -0.444 119.794 120.200 0.064 0.000 2.150 144 E HA -0.163 4.187 4.350 0.000 0.000 0.193 144 E C 1.762 178.406 176.600 0.072 0.000 0.985 144 E CA 0.712 57.154 56.400 0.068 0.000 0.814 144 E CB -0.157 29.583 29.700 0.065 0.000 0.752 144 E HN 0.267 nan 8.360 nan 0.000 0.466 145 F N 0.863 120.745 119.950 -0.114 0.000 2.102 145 F HA -0.196 4.331 4.527 0.000 0.000 0.298 145 F C 1.689 177.478 175.800 -0.017 0.000 1.105 145 F CA 1.238 59.162 58.000 -0.127 0.000 1.239 145 F CB -0.174 38.675 39.000 -0.251 0.000 0.991 145 F HN -0.104 nan 8.300 nan 0.000 0.474 146 F N 1.052 121.011 119.950 0.014 0.000 2.095 146 F HA -0.159 4.368 4.527 0.000 0.000 0.298 146 F C 2.709 178.435 175.800 -0.124 0.000 1.104 146 F CA 1.034 58.983 58.000 -0.084 0.000 1.232 146 F CB -1.826 37.190 39.000 0.026 0.000 0.987 146 F HN 0.088 nan 8.300 nan 0.000 0.475 147 A N -0.489 122.405 122.820 0.124 0.000 2.076 147 A HA -0.168 4.152 4.320 0.000 0.000 0.220 147 A C 2.236 179.807 177.584 -0.021 0.000 1.160 147 A CA 1.930 53.994 52.037 0.045 0.000 0.653 147 A CB -0.966 18.061 19.000 0.046 0.000 0.801 147 A HN 0.420 nan 8.150 nan 0.000 0.455 148 S N -1.113 114.539 115.700 -0.081 0.000 2.535 148 S HA 0.117 4.587 4.470 0.000 0.000 0.214 148 S C 1.283 175.787 174.600 -0.161 0.000 0.980 148 S CA 0.733 58.866 58.200 -0.112 0.000 0.907 148 S CB -0.099 63.034 63.200 -0.111 0.000 0.790 148 S HN 0.960 nan 8.310 nan 0.000 0.510 149 V N -2.099 117.695 119.914 -0.201 0.000 3.635 149 V HA 0.637 4.757 4.120 0.000 0.000 0.266 149 V C 0.975 177.019 176.094 -0.083 0.000 1.316 149 V CA -0.118 62.081 62.300 -0.170 0.000 1.060 149 V CB -0.818 30.851 31.823 -0.255 0.000 0.820 149 V HN 0.510 nan 8.190 nan 0.000 0.447 150 A N 1.444 124.227 122.820 -0.062 0.000 2.567 150 A HA 0.207 4.527 4.320 0.000 0.000 0.240 150 A C 0.382 177.931 177.584 -0.058 0.000 1.053 150 A CA 0.273 52.278 52.037 -0.053 0.000 0.755 150 A CB -0.405 18.572 19.000 -0.039 0.000 0.978 150 A HN 0.695 nan 8.150 nan 0.000 0.507 151 E N 1.348 121.506 120.200 -0.070 0.000 2.343 151 E HA 0.193 4.543 4.350 0.000 0.000 0.269 151 E C -0.089 176.470 176.600 -0.068 0.000 1.047 151 E CA -0.588 55.771 56.400 -0.069 0.000 0.874 151 E CB 0.835 30.485 29.700 -0.083 0.000 1.033 151 E HN 0.463 nan 8.360 nan 0.000 0.409 152 K N 2.111 122.478 120.400 -0.056 0.000 2.201 152 K HA 0.355 4.675 4.320 0.000 0.000 0.278 152 K C -1.374 175.193 176.600 -0.055 0.000 1.027 152 K CA -0.466 55.791 56.287 -0.050 0.000 0.909 152 K CB 1.054 33.532 32.500 -0.038 0.000 1.062 152 K HN 0.266 nan 8.250 nan 0.000 0.465 153 V N 3.611 123.491 119.914 -0.056 0.000 2.711 153 V HA 0.288 4.408 4.120 0.000 0.000 0.304 153 V C 0.153 176.218 176.094 -0.048 0.000 1.097 153 V CA -0.667 61.600 62.300 -0.056 0.000 0.906 153 V CB 1.274 33.053 31.823 -0.073 0.000 1.015 153 V HN 1.086 nan 8.190 nan 0.000 0.427 154 E N 2.499 122.676 120.200 -0.039 0.000 2.726 154 E HA -0.258 4.092 4.350 0.000 0.000 0.235 154 E C 1.152 177.731 176.600 -0.036 0.000 1.290 154 E CA 0.980 57.358 56.400 -0.036 0.000 1.585 154 E CB -0.871 28.805 29.700 -0.040 0.000 2.031 154 E HN 0.755 nan 8.360 nan 0.000 0.588 155 Q N 0.794 120.572 119.800 -0.038 0.000 1.927 155 Q HA -0.096 4.244 4.340 0.000 0.000 0.210 155 Q C 1.160 177.135 176.000 -0.041 0.000 1.001 155 Q CA 2.514 58.295 55.803 -0.036 0.000 0.862 155 Q CB -0.499 28.218 28.738 -0.035 0.000 0.934 155 Q HN 0.996 nan 8.270 nan 0.000 0.420 156 V N 1.427 121.310 119.914 -0.052 0.000 6.356 156 V HA -0.240 3.881 4.120 0.000 0.000 0.325 156 V C 0.806 176.870 176.094 -0.050 0.000 0.504 156 V CA 1.386 63.651 62.300 -0.059 0.000 0.668 156 V CB -2.265 29.524 31.823 -0.056 0.000 0.306 156 V HN 0.534 nan 8.190 nan 0.000 0.878 157 R N -0.119 120.352 120.500 -0.049 0.000 2.310 157 R HA 0.223 4.563 4.340 0.000 0.000 0.199 157 R C 1.140 177.414 176.300 -0.043 0.000 0.891 157 R CA 0.817 56.894 56.100 -0.039 0.000 1.060 157 R CB 0.624 30.905 30.300 -0.030 0.000 1.188 157 R HN 0.799 nan 8.270 nan 0.000 0.607 158 T N -2.560 111.961 114.554 -0.054 0.000 2.922 158 T HA 0.278 4.628 4.350 0.000 0.000 0.281 158 T C 1.048 175.709 174.700 -0.064 0.000 1.005 158 T CA -0.639 61.429 62.100 -0.054 0.000 0.982 158 T CB 1.929 70.768 68.868 -0.048 0.000 1.158 158 T HN -0.203 nan 8.240 nan 0.000 0.566 159 S N -0.635 115.037 115.700 -0.047 0.000 2.406 159 S HA -0.052 4.418 4.470 0.000 0.000 0.228 159 S C 1.839 176.420 174.600 -0.031 0.000 1.020 159 S CA 1.158 59.340 58.200 -0.030 0.000 0.965 159 S CB -0.574 62.630 63.200 0.006 0.000 0.798 159 S HN 0.873 nan 8.310 nan 0.000 0.488 160 E N 1.081 121.257 120.200 -0.040 0.000 2.058 160 E HA -0.213 4.137 4.350 0.000 0.000 0.194 160 E C 1.146 177.558 176.600 -0.314 0.000 0.997 160 E CA 1.536 57.810 56.400 -0.210 0.000 0.801 160 E CB -0.091 29.495 29.700 -0.190 0.000 0.746 160 E HN 0.334 nan 8.360 nan 0.000 0.450 161 D N 0.017 120.299 120.400 -0.198 0.000 2.178 161 D HA -0.125 4.515 4.640 0.000 0.000 0.202 161 D C 2.095 178.283 176.300 -0.188 0.000 0.974 161 D CA 1.164 55.054 54.000 -0.184 0.000 0.841 161 D CB 0.039 40.765 40.800 -0.123 0.000 0.953 161 D HN 0.170 nan 8.370 nan 0.000 0.478 162 V N 0.558 120.365 119.914 -0.180 0.000 2.358 162 V HA -0.174 3.946 4.120 0.000 0.000 0.246 162 V C 2.572 178.516 176.094 -0.249 0.000 1.047 162 V CA 0.961 63.150 62.300 -0.186 0.000 1.035 162 V CB -0.599 31.124 31.823 -0.167 0.000 0.658 162 V HN 0.020 nan 8.190 nan 0.000 0.452 163 V N -0.550 119.174 119.914 -0.316 0.000 2.232 163 V HA -0.166 3.954 4.120 0.000 0.000 0.239 163 V C 2.400 178.337 176.094 -0.262 0.000 1.040 163 V CA 1.662 63.740 62.300 -0.370 0.000 0.996 163 V CB -0.570 31.014 31.823 -0.398 0.000 0.638 163 V HN 0.301 nan 8.190 nan 0.000 0.453 164 V N 1.399 121.125 119.914 -0.313 0.000 2.280 164 V HA -0.328 3.792 4.120 0.000 0.000 0.258 164 V C 2.475 178.458 176.094 -0.184 0.000 1.081 164 V CA 2.815 64.949 62.300 -0.277 0.000 1.070 164 V CB -0.752 30.795 31.823 -0.460 0.000 0.666 164 V HN 0.798 nan 8.190 nan 0.000 0.450 165 S N -2.550 113.037 115.700 -0.187 0.000 2.671 165 S HA 0.068 4.538 4.470 0.000 0.000 0.220 165 S C 1.408 175.927 174.600 -0.134 0.000 0.951 165 S CA 0.736 58.853 58.200 -0.139 0.000 0.932 165 S CB 0.146 63.271 63.200 -0.125 0.000 0.777 165 S HN 0.655 nan 8.310 nan 0.000 0.508 166 K N 0.266 120.563 120.400 -0.173 0.000 2.424 166 K HA 0.234 4.554 4.320 0.000 0.000 0.200 166 K C 1.018 177.453 176.600 -0.274 0.000 1.279 166 K CA 0.845 57.006 56.287 -0.210 0.000 0.918 166 K CB 0.992 33.336 32.500 -0.260 0.000 1.287 166 K HN 0.331 nan 8.250 nan 0.000 0.502 167 V N -2.484 117.283 119.914 -0.244 0.000 3.330 167 V HA 0.488 4.608 4.120 0.000 0.000 0.309 167 V C 0.290 176.400 176.094 0.027 0.000 1.481 167 V CA -0.008 62.182 62.300 -0.184 0.000 1.068 167 V CB -0.020 31.631 31.823 -0.288 0.000 0.935 167 V HN 0.315 nan 8.190 nan 0.000 0.453 168 G N 1.380 110.171 108.800 -0.014 0.000 2.860 168 G HA2 -0.277 3.683 3.960 0.000 0.000 0.553 168 G HA3 -0.277 3.683 3.960 0.000 0.000 0.553 168 G C 0.275 175.235 174.900 0.100 0.000 1.439 168 G CA 0.473 45.583 45.100 0.016 0.000 0.879 168 G HN 0.562 nan 8.290 nan 0.000 0.545 169 R N -0.465 120.096 120.500 0.102 0.000 2.090 169 R HA -0.001 4.339 4.340 0.000 0.000 0.228 169 R C 2.295 178.760 176.300 0.275 0.000 1.110 169 R CA 1.958 58.176 56.100 0.197 0.000 0.973 169 R CB -0.424 29.957 30.300 0.134 0.000 0.869 169 R HN 0.650 nan 8.270 nan 0.000 0.440 170 D N 0.018 120.552 120.400 0.223 0.000 2.092 170 D HA -0.172 4.468 4.640 0.000 0.000 0.193 170 D C 1.796 178.282 176.300 0.310 0.000 0.994 170 D CA 1.371 55.520 54.000 0.249 0.000 0.828 170 D CB -0.013 40.944 40.800 0.261 0.000 0.963 170 D HN 0.197 nan 8.370 nan 0.000 0.450 171 L N -0.542 120.913 121.223 0.387 0.000 2.046 171 L HA -0.166 4.174 4.340 0.000 0.000 0.208 171 L C 2.346 179.520 176.870 0.507 0.000 1.077 171 L CA 1.155 56.286 54.840 0.485 0.000 0.747 171 L CB -0.721 41.624 42.059 0.478 0.000 0.896 171 L HN 0.214 nan 8.230 nan 0.000 0.432 172 Y N 1.409 121.884 120.300 0.291 0.000 2.114 172 Y HA -0.324 4.226 4.550 0.000 0.000 0.282 172 Y C 2.519 178.594 175.900 0.292 0.000 1.165 172 Y CA 1.839 60.109 58.100 0.283 0.000 1.148 172 Y CB -0.460 38.072 38.460 0.120 0.000 0.972 172 Y HN 0.204 nan 8.280 nan 0.000 0.504 173 N N 0.405 119.137 118.700 0.053 0.000 2.166 173 N HA -0.152 4.588 4.740 0.000 0.000 0.186 173 N C 1.664 177.128 175.510 -0.077 0.000 1.019 173 N CA 1.670 54.663 53.050 -0.096 0.000 0.856 173 N CB -0.212 38.303 38.487 0.047 0.000 0.993 173 N HN 0.512 nan 8.380 nan 0.000 0.426 174 K N -0.771 119.611 120.400 -0.029 0.000 2.186 174 K HA 0.052 4.372 4.320 0.000 0.000 0.202 174 K C 1.288 177.643 176.600 -0.407 0.000 1.052 174 K CA 0.699 56.849 56.287 -0.227 0.000 0.965 174 K CB 0.119 32.434 32.500 -0.309 0.000 0.746 174 K HN 0.116 nan 8.250 nan 0.000 0.457 175 F N -1.654 118.278 119.950 -0.029 0.000 2.553 175 F HA 0.149 4.676 4.527 0.000 0.000 0.282 175 F C 1.501 177.089 175.800 -0.354 0.000 1.089 175 F CA 0.247 58.131 58.000 -0.192 0.000 1.411 175 F CB 0.272 39.147 39.000 -0.208 0.000 1.125 175 F HN -0.142 nan 8.300 nan 0.000 0.610 176 F N -0.580 119.413 119.950 0.071 0.000 2.490 176 F HA 0.216 4.743 4.527 0.000 0.000 0.280 176 F C 2.379 178.140 175.800 -0.065 0.000 1.030 176 F CA 0.205 58.225 58.000 0.034 0.000 1.367 176 F CB -0.560 38.498 39.000 0.097 0.000 1.131 176 F HN -0.379 nan 8.300 nan 0.000 0.632 177 R N 0.835 121.193 120.500 -0.237 0.000 2.103 177 R HA -0.148 4.192 4.340 0.000 0.000 0.234 177 R C 2.375 178.667 176.300 -0.014 0.000 1.132 177 R CA 2.107 58.046 56.100 -0.268 0.000 0.925 177 R CB -1.153 28.848 30.300 -0.499 0.000 0.842 177 R HN 0.365 nan 8.270 nan 0.000 0.430 178 G N -0.736 108.053 108.800 -0.018 0.000 2.422 178 G HA2 -0.334 3.626 3.960 0.000 0.000 0.218 178 G HA3 -0.334 3.626 3.960 0.000 0.000 0.218 178 G C 1.324 176.267 174.900 0.072 0.000 1.146 178 G CA 0.903 46.014 45.100 0.019 0.000 0.769 178 G HN 0.527 nan 8.290 nan 0.000 0.547 179 Y N 1.733 122.034 120.300 0.002 0.000 2.163 179 Y HA -0.127 4.423 4.550 0.000 0.000 0.288 179 Y C 3.140 179.094 175.900 0.091 0.000 1.136 179 Y CA 2.287 60.403 58.100 0.026 0.000 1.147 179 Y CB -0.292 38.165 38.460 -0.005 0.000 0.987 179 Y HN 0.198 nan 8.280 nan 0.000 0.509 180 T N 0.730 115.515 114.554 0.385 0.000 2.674 180 T HA -0.185 4.165 4.350 0.000 0.000 0.265 180 T C 1.872 176.749 174.700 0.295 0.000 1.039 180 T CA 1.729 64.096 62.100 0.445 0.000 1.150 180 T CB -0.326 68.813 68.868 0.451 0.000 0.864 180 T HN 0.299 nan 8.240 nan 0.000 0.427 181 R N 0.798 121.407 120.500 0.182 0.000 2.154 181 R HA -0.152 4.188 4.340 0.000 0.000 0.248 181 R C 2.476 178.815 176.300 0.064 0.000 1.155 181 R CA 1.570 57.743 56.100 0.121 0.000 0.979 181 R CB -0.184 30.160 30.300 0.073 0.000 0.869 181 R HN 0.357 nan 8.270 nan 0.000 0.452 182 K N 0.178 120.570 120.400 -0.013 0.000 2.186 182 K HA -0.144 4.176 4.320 0.000 0.000 0.202 182 K C 2.086 178.574 176.600 -0.186 0.000 1.052 182 K CA 0.952 57.176 56.287 -0.106 0.000 0.965 182 K CB 0.242 32.641 32.500 -0.168 0.000 0.746 182 K HN -0.064 nan 8.250 nan 0.000 0.457 183 Q N -0.833 118.806 119.800 -0.268 0.000 2.204 183 Q HA -0.045 4.295 4.340 0.000 0.000 0.198 183 Q C 0.776 176.451 176.000 -0.540 0.000 0.946 183 Q CA 1.455 56.955 55.803 -0.504 0.000 0.859 183 Q CB -0.026 28.312 28.738 -0.667 0.000 0.946 183 Q HN 0.413 nan 8.270 nan 0.000 0.474 184 W N -1.195 120.060 121.300 -0.074 0.000 2.993 184 W HA 0.439 5.099 4.660 0.000 0.000 0.290 184 W C 1.137 177.649 176.519 -0.012 0.000 1.203 184 W CA 0.140 57.458 57.345 -0.045 0.000 1.582 184 W CB 0.580 30.034 29.460 -0.010 0.000 1.033 184 W HN 0.255 nan 8.180 nan 0.000 0.594 185 G N 0.891 109.797 108.800 0.176 0.000 2.155 185 G HA2 -0.277 3.684 3.960 0.000 0.000 0.257 185 G HA3 -0.277 3.684 3.960 0.000 0.000 0.257 185 G C -0.526 174.459 174.900 0.141 0.000 0.983 185 G CA 0.240 45.414 45.100 0.123 0.000 0.676 185 G HN 0.080 nan 8.290 nan 0.000 0.528 186 L N -0.020 121.319 121.223 0.194 0.000 2.401 186 L HA 0.607 4.947 4.340 0.000 0.000 0.266 186 L C 0.080 177.033 176.870 0.138 0.000 0.991 186 L CA -1.217 53.707 54.840 0.141 0.000 0.818 186 L CB 1.819 43.948 42.059 0.116 0.000 1.321 186 L HN 0.244 nan 8.230 nan 0.000 0.413 187 D N 2.919 123.383 120.400 0.107 0.000 2.382 187 D HA 0.157 4.798 4.640 0.000 0.000 0.240 187 D C -1.619 174.756 176.300 0.125 0.000 1.146 187 D CA -0.858 53.216 54.000 0.123 0.000 0.897 187 D CB 1.308 42.174 40.800 0.109 0.000 1.197 187 D HN 0.318 nan 8.370 nan 0.000 0.432 188 P HA -0.179 nan 4.420 nan 0.000 0.218 188 P C 0.957 178.308 177.300 0.084 0.000 1.146 188 P CA 1.222 64.429 63.100 0.178 0.000 0.813 188 P CB -0.027 31.898 31.700 0.376 0.000 0.778 189 S N -0.891 114.859 115.700 0.082 0.000 2.453 189 S HA -0.086 4.384 4.470 0.000 0.000 0.231 189 S C 1.579 176.184 174.600 0.008 0.000 1.005 189 S CA 0.769 58.984 58.200 0.026 0.000 0.949 189 S CB -0.894 62.324 63.200 0.030 0.000 0.774 189 S HN 0.261 nan 8.310 nan 0.000 0.510 190 E N 0.562 120.771 120.200 0.015 0.000 2.489 190 E HA 0.292 4.643 4.350 0.000 0.000 0.193 190 E C -0.336 176.240 176.600 -0.041 0.000 1.057 190 E CA -0.038 56.362 56.400 -0.001 0.000 0.866 190 E CB 0.070 29.782 29.700 0.019 0.000 0.916 190 E HN 0.535 nan 8.360 nan 0.000 0.500 191 L N 0.555 121.736 121.223 -0.070 0.000 2.342 191 L HA 0.327 4.667 4.340 0.000 0.000 0.271 191 L C -0.037 176.769 176.870 -0.105 0.000 1.008 191 L CA -1.098 53.654 54.840 -0.147 0.000 0.818 191 L CB 1.710 43.603 42.059 -0.275 0.000 1.296 191 L HN -0.143 nan 8.230 nan 0.000 0.427 192 D N 0.579 120.914 120.400 -0.109 0.000 2.378 192 D HA 0.152 4.792 4.640 0.000 0.000 0.238 192 D C 0.943 177.207 176.300 -0.059 0.000 1.180 192 D CA 0.687 54.649 54.000 -0.064 0.000 0.895 192 D CB 1.476 42.250 40.800 -0.044 0.000 1.192 192 D HN 0.614 nan 8.370 nan 0.000 0.438 193 A N 1.846 124.640 122.820 -0.045 0.000 1.978 193 A HA -0.203 4.117 4.320 0.000 0.000 0.220 193 A C 2.162 179.726 177.584 -0.032 0.000 1.170 193 A CA 2.132 54.141 52.037 -0.047 0.000 0.636 193 A CB -1.091 17.879 19.000 -0.049 0.000 0.810 193 A HN 0.648 nan 8.150 nan 0.000 0.448 194 S N -0.194 115.496 115.700 -0.017 0.000 2.402 194 S HA -0.178 4.292 4.470 0.000 0.000 0.233 194 S C 1.722 176.334 174.600 0.020 0.000 1.030 194 S CA 1.602 59.803 58.200 0.003 0.000 1.003 194 S CB -1.122 62.093 63.200 0.024 0.000 0.813 194 S HN 0.297 nan 8.310 nan 0.000 0.477 195 V N 3.017 122.955 119.914 0.040 0.000 2.214 195 V HA -0.186 3.934 4.120 0.000 0.000 0.244 195 V C 3.189 179.365 176.094 0.138 0.000 1.045 195 V CA 2.400 64.777 62.300 0.128 0.000 0.993 195 V CB -1.767 30.054 31.823 -0.003 0.000 0.633 195 V HN 0.859 nan 8.190 nan 0.000 0.449 196 T N -1.065 113.555 114.554 0.110 0.000 3.007 196 T HA -0.001 4.349 4.350 0.000 0.000 0.270 196 T C 1.693 176.403 174.700 0.016 0.000 1.107 196 T CA 1.138 63.315 62.100 0.128 0.000 1.118 196 T CB -0.377 68.526 68.868 0.058 0.000 0.889 196 T HN 0.480 nan 8.240 nan 0.000 0.506 197 A N 1.747 124.553 122.820 -0.024 0.000 2.121 197 A HA 0.054 4.374 4.320 0.000 0.000 0.218 197 A C 2.477 180.037 177.584 -0.040 0.000 1.154 197 A CA 0.798 52.803 52.037 -0.054 0.000 0.679 197 A CB -0.638 18.330 19.000 -0.053 0.000 0.795 197 A HN 0.537 nan 8.150 nan 0.000 0.458 198 R N -0.917 119.574 120.500 -0.015 0.000 2.193 198 R HA -0.002 4.339 4.340 0.000 0.000 0.229 198 R C -0.351 175.913 176.300 -0.059 0.000 1.110 198 R CA 0.711 56.790 56.100 -0.034 0.000 0.988 198 R CB -0.103 30.171 30.300 -0.045 0.000 0.871 198 R HN 0.313 nan 8.270 nan 0.000 0.458 199 V N 3.766 123.667 119.914 -0.022 0.000 2.313 199 V HA 0.220 4.340 4.120 0.000 0.000 0.278 199 V C -1.931 174.125 176.094 -0.064 0.000 1.017 199 V CA -1.984 60.270 62.300 -0.076 0.000 0.823 199 V CB 1.313 33.178 31.823 0.070 0.000 1.010 199 V HN 0.055 nan 8.190 nan 0.000 0.443 200 P HA 0.236 nan 4.420 nan 0.000 0.274 200 P C -0.234 176.995 177.300 -0.119 0.000 1.246 200 P CA -0.103 62.923 63.100 -0.122 0.000 0.795 200 P CB 0.847 32.470 31.700 -0.129 0.000 1.006 201 T N 1.793 116.260 114.554 -0.144 0.000 2.824 201 T HA 0.418 4.768 4.350 0.000 0.000 0.280 201 T C 0.173 174.802 174.700 -0.118 0.000 0.995 201 T CA -0.484 61.513 62.100 -0.172 0.000 1.009 201 T CB 0.639 69.314 68.868 -0.322 0.000 0.955 201 T HN 0.296 nan 8.240 nan 0.000 0.452 202 R N 0.794 121.262 120.500 -0.053 0.000 2.732 202 R HA 0.520 4.860 4.340 0.000 0.000 0.278 202 R C 1.113 177.497 176.300 0.141 0.000 0.976 202 R CA -0.699 55.403 56.100 0.004 0.000 0.963 202 R CB 1.134 31.408 30.300 -0.043 0.000 1.150 202 R HN 0.725 nan 8.270 nan 0.000 0.478 203 T N -2.941 111.676 114.554 0.105 0.000 3.023 203 T HA 0.007 4.357 4.350 0.000 0.000 0.253 203 T C 0.673 175.348 174.700 -0.041 0.000 1.038 203 T CA -0.260 61.895 62.100 0.090 0.000 0.962 203 T CB -0.240 68.673 68.868 0.075 0.000 1.018 203 T HN 0.594 nan 8.240 nan 0.000 0.521 204 N N 2.131 120.796 118.700 -0.059 0.000 2.381 204 N HA 0.206 4.946 4.740 0.000 0.000 0.289 204 N C 0.351 175.813 175.510 -0.080 0.000 1.288 204 N CA -0.830 52.162 53.050 -0.096 0.000 0.960 204 N CB 0.256 38.685 38.487 -0.096 0.000 1.116 204 N HN 0.184 nan 8.380 nan 0.000 0.557 205 R N -1.781 118.669 120.500 -0.084 0.000 2.633 205 R HA 0.222 4.562 4.340 0.000 0.000 0.348 205 R C -0.733 175.521 176.300 -0.077 0.000 1.100 205 R CA -0.513 55.541 56.100 -0.076 0.000 1.068 205 R CB -0.222 30.034 30.300 -0.072 0.000 1.351 205 R HN 0.530 nan 8.270 nan 0.000 0.575 206 D N 2.360 122.710 120.400 -0.082 0.000 2.371 206 D HA -0.036 4.604 4.640 0.000 0.000 0.256 206 D C 0.425 176.664 176.300 -0.102 0.000 1.193 206 D CA 0.217 54.163 54.000 -0.090 0.000 0.881 206 D CB 0.786 41.530 40.800 -0.093 0.000 1.143 206 D HN 0.238 nan 8.370 nan 0.000 0.473 207 N N 2.978 121.615 118.700 -0.104 0.000 2.203 207 N HA 0.005 4.745 4.740 0.000 0.000 0.207 207 N C 0.097 175.526 175.510 -0.135 0.000 1.130 207 N CA -0.338 52.642 53.050 -0.117 0.000 0.861 207 N CB 0.109 38.532 38.487 -0.106 0.000 1.005 207 N HN 0.142 nan 8.380 nan 0.000 0.507 208 R N 0.166 120.584 120.500 -0.137 0.000 2.491 208 R HA 0.073 4.413 4.340 0.000 0.000 0.283 208 R C 0.492 176.671 176.300 -0.201 0.000 1.072 208 R CA -0.385 55.624 56.100 -0.151 0.000 1.048 208 R CB 0.363 30.591 30.300 -0.120 0.000 0.983 208 R HN 0.039 nan 8.270 nan 0.000 0.450 209 Y N 2.505 122.539 120.300 -0.443 0.000 2.224 209 Y HA -0.100 4.450 4.550 0.000 0.000 0.289 209 Y C -0.110 175.254 175.900 -0.893 0.000 1.146 209 Y CA 1.478 59.145 58.100 -0.720 0.000 1.182 209 Y CB 0.265 38.173 38.460 -0.920 0.000 0.983 209 Y HN 0.394 nan 8.280 nan 0.000 0.524 210 F N -2.288 117.576 119.950 -0.143 0.000 2.561 210 F HA 0.575 5.102 4.527 0.000 0.000 0.321 210 F C 0.641 176.338 175.800 -0.171 0.000 1.065 210 F CA -0.608 57.247 58.000 -0.242 0.000 0.934 210 F CB 1.518 40.303 39.000 -0.359 0.000 1.215 210 F HN -0.243 nan 8.300 nan 0.000 0.471 211 A N 0.080 122.915 122.820 0.024 0.000 2.503 211 A HA 0.264 4.585 4.320 0.000 0.000 0.263 211 A C -0.433 177.130 177.584 -0.035 0.000 1.258 211 A CA -0.411 51.608 52.037 -0.031 0.000 0.936 211 A CB -0.731 18.231 19.000 -0.062 0.000 1.070 211 A HN 0.663 nan 8.150 nan 0.000 0.522 212 D N 0.128 120.528 120.400 -0.000 0.000 2.382 212 D HA 0.216 4.856 4.640 0.000 0.000 0.240 212 D C 1.213 177.431 176.300 -0.136 0.000 1.146 212 D CA 0.419 54.392 54.000 -0.044 0.000 0.897 212 D CB 0.363 41.163 40.800 0.000 0.000 1.197 212 D HN 0.064 nan 8.370 nan 0.000 0.432 213 T N 0.347 114.755 114.554 -0.243 0.000 2.624 213 T HA -0.210 4.140 4.350 0.000 0.000 0.268 213 T C 0.468 174.777 174.700 -0.652 0.000 1.041 213 T CA 1.406 63.192 62.100 -0.524 0.000 1.159 213 T CB -0.487 67.877 68.868 -0.839 0.000 0.863 213 T HN 0.420 nan 8.240 nan 0.000 0.434 214 Y N 1.797 121.913 120.300 -0.306 0.000 2.385 214 Y HA 0.505 5.055 4.550 0.000 0.000 0.341 214 Y C 0.283 175.993 175.900 -0.317 0.000 0.965 214 Y CA -0.958 56.827 58.100 -0.525 0.000 1.180 214 Y CB 0.587 38.442 38.460 -1.009 0.000 1.139 214 Y HN 0.096 nan 8.280 nan 0.000 0.502 215 Q N 3.107 122.856 119.800 -0.085 0.000 2.337 215 Q HA 0.833 5.173 4.340 0.000 0.000 0.264 215 Q C -1.190 174.915 176.000 0.174 0.000 1.007 215 Q CA -0.838 55.012 55.803 0.078 0.000 0.727 215 Q CB 2.253 31.034 28.738 0.071 0.000 1.256 215 Q HN 0.786 nan 8.270 nan 0.000 0.467 216 A N 2.954 125.982 122.820 0.348 0.000 2.594 216 A HA 0.684 5.004 4.320 0.000 0.000 0.296 216 A C -1.324 176.673 177.584 0.689 0.000 1.061 216 A CA -0.764 51.556 52.037 0.473 0.000 0.689 216 A CB 1.476 20.717 19.000 0.402 0.000 1.280 216 A HN 0.522 nan 8.150 nan 0.000 0.406 217 M N 1.635 121.578 119.600 0.572 0.000 2.264 217 M HA 0.360 4.840 4.480 0.000 0.000 0.352 217 M C -2.531 173.878 176.300 0.181 0.000 1.173 217 M CA -2.534 52.993 55.300 0.379 0.000 1.075 217 M CB 0.664 33.369 32.600 0.175 0.000 1.621 217 M HN 0.268 nan 8.290 nan 0.000 0.457 218 P HA -0.039 nan 4.420 nan 0.000 0.258 218 P C 0.969 178.026 177.300 -0.404 0.000 1.187 218 P CA -0.051 62.693 63.100 -0.592 0.000 0.767 218 P CB 0.131 31.414 31.700 -0.694 0.000 0.770 219 L N 4.764 125.736 121.223 -0.418 0.000 2.064 219 L HA -0.231 4.109 4.340 0.000 0.000 0.216 219 L C 1.403 177.940 176.870 -0.554 0.000 1.077 219 L CA 2.175 56.742 54.840 -0.454 0.000 0.766 219 L CB -0.863 40.849 42.059 -0.580 0.000 0.890 219 L HN 0.510 nan 8.230 nan 0.000 0.435 220 H N -1.021 117.946 119.070 -0.172 0.000 2.528 220 H HA 0.528 5.084 4.556 0.000 0.000 0.282 220 H C 0.911 176.163 175.328 -0.127 0.000 1.097 220 H CA 0.481 56.464 56.048 -0.108 0.000 1.121 220 H CB -0.171 29.539 29.762 -0.086 0.000 1.590 220 H HN 0.379 nan 8.280 nan 0.000 0.553 221 G N -0.044 108.666 108.800 -0.150 0.000 2.612 221 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 221 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 221 G C -0.072 174.675 174.900 -0.255 0.000 1.274 221 G CA -0.543 44.437 45.100 -0.200 0.000 0.849 221 G HN 0.216 nan 8.290 nan 0.000 0.595 222 Y N 0.131 120.378 120.300 -0.088 0.000 2.220 222 Y HA -0.037 4.513 4.550 0.000 0.000 0.291 222 Y C 3.401 179.362 175.900 0.102 0.000 1.129 222 Y CA 2.281 60.374 58.100 -0.011 0.000 1.161 222 Y CB -0.352 38.150 38.460 0.069 0.000 0.997 222 Y HN 0.632 nan 8.280 nan 0.000 0.522 223 T N 0.185 114.844 114.554 0.175 0.000 2.684 223 T HA -0.178 4.172 4.350 0.000 0.000 0.267 223 T C 2.005 176.775 174.700 0.118 0.000 1.036 223 T CA 1.236 63.433 62.100 0.161 0.000 1.148 223 T CB -0.159 68.701 68.868 -0.013 0.000 0.863 223 T HN 0.200 nan 8.240 nan 0.000 0.436 224 R N 0.746 121.267 120.500 0.034 0.000 2.096 224 R HA -0.059 4.281 4.340 0.000 0.000 0.240 224 R C 2.461 178.739 176.300 -0.037 0.000 1.139 224 R CA 1.301 57.399 56.100 -0.004 0.000 0.952 224 R CB -0.880 29.413 30.300 -0.011 0.000 0.854 224 R HN 0.453 nan 8.270 nan 0.000 0.436 225 M N -0.218 119.327 119.600 -0.090 0.000 2.080 225 M HA -0.182 4.298 4.480 0.000 0.000 0.260 225 M C 1.861 178.006 176.300 -0.258 0.000 1.068 225 M CA 1.807 56.984 55.300 -0.206 0.000 1.109 225 M CB -0.185 32.217 32.600 -0.330 0.000 1.342 225 M HN -0.011 nan 8.290 nan 0.000 0.405 226 F N 0.757 120.613 119.950 -0.156 0.000 2.134 226 F HA -0.261 4.266 4.527 0.000 0.000 0.299 226 F C 2.549 178.247 175.800 -0.170 0.000 1.097 226 F CA 1.759 59.636 58.000 -0.205 0.000 1.264 226 F CB -0.649 38.237 39.000 -0.189 0.000 1.001 226 F HN 0.259 nan 8.300 nan 0.000 0.479 227 Q N 0.145 119.984 119.800 0.065 0.000 2.077 227 Q HA -0.240 4.100 4.340 0.000 0.000 0.206 227 Q C 1.938 177.919 176.000 -0.031 0.000 0.989 227 Q CA 1.714 57.523 55.803 0.011 0.000 0.853 227 Q CB -0.390 28.357 28.738 0.014 0.000 0.907 227 Q HN 0.416 nan 8.270 nan 0.000 0.418 228 N N 0.221 118.895 118.700 -0.043 0.000 2.244 228 N HA -0.123 4.617 4.740 0.000 0.000 0.183 228 N C 1.598 177.074 175.510 -0.057 0.000 1.016 228 N CA 1.047 54.097 53.050 -0.000 0.000 0.866 228 N CB -0.164 38.368 38.487 0.076 0.000 0.980 228 N HN 0.277 nan 8.380 nan 0.000 0.430 229 M N 0.159 119.567 119.600 -0.320 0.000 2.229 229 M HA 0.000 4.480 4.480 0.000 0.000 0.264 229 M C 0.923 177.033 176.300 -0.316 0.000 1.063 229 M CA 1.138 56.018 55.300 -0.699 0.000 1.114 229 M CB 0.198 32.315 32.600 -0.805 0.000 1.387 229 M HN 0.018 nan 8.290 nan 0.000 0.420 230 L N -0.887 120.241 121.223 -0.157 0.000 2.818 230 L HA 0.130 4.470 4.340 0.000 0.000 0.243 230 L C 1.823 178.664 176.870 -0.048 0.000 1.185 230 L CA -0.158 54.629 54.840 -0.089 0.000 0.988 230 L CB -0.099 41.924 42.059 -0.059 0.000 1.292 230 L HN 0.274 nan 8.230 nan 0.000 0.519 231 S N -2.185 113.493 115.700 -0.036 0.000 2.478 231 S HA -0.033 4.437 4.470 0.000 0.000 0.222 231 S C 1.169 175.770 174.600 0.002 0.000 1.008 231 S CA -0.087 58.106 58.200 -0.011 0.000 0.928 231 S CB 0.006 63.206 63.200 -0.001 0.000 0.781 231 S HN 0.310 nan 8.310 nan 0.000 0.518 232 S N 3.379 119.082 115.700 0.005 0.000 2.599 232 S HA 0.086 4.556 4.470 0.000 0.000 0.303 232 S C -1.518 173.095 174.600 0.022 0.000 1.267 232 S CA -0.772 57.439 58.200 0.017 0.000 1.055 232 S CB 0.452 63.662 63.200 0.018 0.000 0.790 232 S HN 0.199 nan 8.310 nan 0.000 0.500 233 P HA -0.024 nan 4.420 nan 0.000 0.223 233 P C 0.690 178.022 177.300 0.053 0.000 1.144 233 P CA 0.754 63.876 63.100 0.036 0.000 0.783 233 P CB 0.022 31.741 31.700 0.032 0.000 0.771 234 N N -0.715 118.019 118.700 0.057 0.000 2.521 234 N HA 0.042 4.782 4.740 0.000 0.000 0.188 234 N C 0.375 175.941 175.510 0.094 0.000 1.146 234 N CA 0.456 53.555 53.050 0.082 0.000 0.893 234 N CB -0.134 38.401 38.487 0.080 0.000 0.975 234 N HN 0.252 nan 8.380 nan 0.000 0.451 235 I N 1.313 121.917 120.570 0.057 0.000 2.362 235 I HA 0.193 4.363 4.170 0.000 0.000 0.289 235 I C -0.256 175.875 176.117 0.023 0.000 0.994 235 I CA -0.805 60.512 61.300 0.028 0.000 1.158 235 I CB 1.259 39.251 38.000 -0.012 0.000 1.315 235 I HN -0.370 nan 8.210 nan 0.000 0.451 236 K N 6.168 126.571 120.400 0.005 0.000 2.206 236 K HA 0.601 4.922 4.320 0.000 0.000 0.264 236 K C -0.815 175.733 176.600 -0.086 0.000 0.967 236 K CA -0.732 55.549 56.287 -0.009 0.000 0.844 236 K CB 2.556 35.084 32.500 0.048 0.000 1.099 236 K HN 0.251 nan 8.250 nan 0.000 0.441 237 V N 3.657 123.533 119.914 -0.064 0.000 2.459 237 V HA 0.466 4.587 4.120 0.000 0.000 0.295 237 V C -0.207 175.837 176.094 -0.084 0.000 1.029 237 V CA -0.780 61.467 62.300 -0.088 0.000 0.874 237 V CB 1.575 33.356 31.823 -0.071 0.000 0.985 237 V HN 0.737 nan 8.190 nan 0.000 0.438 238 M N 6.343 125.877 119.600 -0.110 0.000 2.106 238 M HA 0.587 5.067 4.480 0.000 0.000 0.288 238 M C -1.824 174.413 176.300 -0.105 0.000 0.941 238 M CA -0.339 54.905 55.300 -0.094 0.000 0.934 238 M CB 1.180 33.719 32.600 -0.102 0.000 1.551 238 M HN 0.536 nan 8.290 nan 0.000 0.437 239 L N 3.600 124.767 121.223 -0.093 0.000 2.332 239 L HA 0.547 4.888 4.340 0.000 0.000 0.269 239 L C 0.713 177.528 176.870 -0.092 0.000 1.016 239 L CA -0.667 54.103 54.840 -0.116 0.000 0.809 239 L CB 1.293 43.278 42.059 -0.124 0.000 1.280 239 L HN 0.911 nan 8.230 nan 0.000 0.447 240 N N -0.214 118.420 118.700 -0.110 0.000 2.780 240 N HA -0.156 4.585 4.740 0.000 0.000 0.248 240 N C -1.097 174.376 175.510 -0.061 0.000 1.102 240 N CA 0.956 53.958 53.050 -0.080 0.000 0.697 240 N CB -0.690 37.764 38.487 -0.055 0.000 1.028 240 N HN 0.764 nan 8.380 nan 0.000 0.554 241 T N 0.255 114.766 114.554 -0.072 0.000 3.050 241 T HA 0.134 4.484 4.350 0.000 0.000 0.310 241 T C -1.126 173.541 174.700 -0.054 0.000 0.978 241 T CA -0.731 61.335 62.100 -0.056 0.000 1.013 241 T CB 1.616 70.449 68.868 -0.057 0.000 1.000 241 T HN 0.107 nan 8.240 nan 0.000 0.447 242 D N 1.896 122.263 120.400 -0.056 0.000 2.351 242 D HA 0.065 4.705 4.640 0.000 0.000 0.251 242 D C 1.168 177.409 176.300 -0.099 0.000 1.137 242 D CA -0.299 53.661 54.000 -0.066 0.000 0.879 242 D CB 0.866 41.597 40.800 -0.115 0.000 1.181 242 D HN 0.698 nan 8.370 nan 0.000 0.448 243 Y N 3.626 123.883 120.300 -0.071 0.000 2.256 243 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 243 Y C 2.098 177.942 175.900 -0.094 0.000 1.155 243 Y CA 0.894 58.931 58.100 -0.106 0.000 1.203 243 Y CB -0.339 38.062 38.460 -0.097 0.000 0.980 243 Y HN 0.302 nan 8.280 nan 0.000 0.530 244 R N 0.798 120.748 120.500 -0.917 0.000 2.127 244 R HA -0.145 4.195 4.340 0.000 0.000 0.238 244 R C 2.020 178.167 176.300 -0.254 0.000 1.134 244 R CA 1.763 57.486 56.100 -0.629 0.000 0.975 244 R CB -0.319 29.583 30.300 -0.663 0.000 0.865 244 R HN 0.580 nan 8.270 nan 0.000 0.447 245 E N 0.270 120.359 120.200 -0.184 0.000 2.265 245 E HA -0.155 4.195 4.350 0.000 0.000 0.196 245 E C 1.659 178.246 176.600 -0.021 0.000 0.996 245 E CA 1.192 57.562 56.400 -0.050 0.000 0.832 245 E CB 0.079 29.767 29.700 -0.021 0.000 0.756 245 E HN 0.565 nan 8.360 nan 0.000 0.491 246 I N -4.844 115.617 120.570 -0.183 0.000 4.403 246 I HA 0.362 4.532 4.170 0.000 0.000 0.331 246 I C 1.939 177.724 176.117 -0.553 0.000 1.327 246 I CA -0.020 60.954 61.300 -0.542 0.000 1.175 246 I CB 0.492 38.247 38.000 -0.408 0.000 1.165 246 I HN -0.151 nan 8.210 nan 0.000 0.413 247 A N 1.454 124.167 122.820 -0.179 0.000 2.067 247 A HA -0.116 4.204 4.320 0.000 0.000 0.219 247 A C 1.649 179.278 177.584 0.075 0.000 1.158 247 A CA 1.731 53.811 52.037 0.072 0.000 0.661 247 A CB -0.534 18.604 19.000 0.229 0.000 0.801 247 A HN 0.425 nan 8.150 nan 0.000 0.452 248 D N -0.832 119.567 120.400 -0.001 0.000 2.224 248 D HA -0.047 4.593 4.640 0.000 0.000 0.205 248 D C 1.229 177.624 176.300 0.159 0.000 0.965 248 D CA 1.529 55.589 54.000 0.099 0.000 0.852 248 D CB -0.157 40.743 40.800 0.167 0.000 0.947 248 D HN 0.746 nan 8.370 nan 0.000 0.494 249 F N -1.590 118.416 119.950 0.093 0.000 2.817 249 F HA 0.397 4.924 4.527 0.000 0.000 0.333 249 F C 0.281 176.151 175.800 0.118 0.000 1.085 249 F CA -0.642 57.407 58.000 0.081 0.000 1.170 249 F CB -0.007 39.027 39.000 0.056 0.000 1.066 249 F HN -0.313 nan 8.300 nan 0.000 0.564 250 I N 4.279 124.706 120.570 -0.238 0.000 2.325 250 I HA 0.334 4.504 4.170 0.000 0.000 0.291 250 I C -2.289 173.971 176.117 0.237 0.000 1.019 250 I CA -2.047 59.289 61.300 0.059 0.000 1.302 250 I CB 0.897 38.915 38.000 0.029 0.000 1.401 250 I HN -0.175 nan 8.210 nan 0.000 0.485 251 P HA 0.211 nan 4.420 nan 0.000 0.271 251 P C -1.056 176.418 177.300 0.289 0.000 1.216 251 P CA 0.100 63.269 63.100 0.116 0.000 0.771 251 P CB 0.260 31.987 31.700 0.046 0.000 0.864 252 F N -0.285 119.719 119.950 0.091 0.000 2.641 252 F HA 0.458 4.985 4.527 0.000 0.000 0.308 252 F C 0.552 176.376 175.800 0.040 0.000 1.105 252 F CA -0.888 57.179 58.000 0.111 0.000 0.964 252 F CB 1.002 40.080 39.000 0.129 0.000 1.294 252 F HN -0.009 nan 8.300 nan 0.000 0.442 253 Q N 0.828 120.705 119.800 0.128 0.000 2.339 253 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 253 Q C -0.522 175.532 176.000 0.089 0.000 0.925 253 Q CA 1.047 56.852 55.803 0.004 0.000 0.898 253 Q CB 0.160 28.877 28.738 -0.034 0.000 1.013 253 Q HN 0.903 nan 8.270 nan 0.000 0.504 254 H N -1.332 117.799 119.070 0.102 0.000 3.079 254 H HA 0.504 5.060 4.556 0.000 0.000 0.356 254 H C -1.598 173.897 175.328 0.279 0.000 1.221 254 H CA -0.440 55.678 56.048 0.116 0.000 1.185 254 H CB 1.515 31.197 29.762 -0.133 0.000 1.882 254 H HN -0.046 nan 8.280 nan 0.000 0.543 255 M N 5.336 124.971 119.600 0.058 0.000 2.311 255 M HA 0.463 4.943 4.480 0.000 0.000 0.325 255 M C -1.552 174.790 176.300 0.070 0.000 1.061 255 M CA -0.845 54.474 55.300 0.033 0.000 0.957 255 M CB 0.942 33.474 32.600 -0.113 0.000 1.646 255 M HN 0.579 nan 8.290 nan 0.000 0.434 256 I N 5.326 125.944 120.570 0.080 0.000 2.312 256 I HA 0.260 4.430 4.170 0.000 0.000 0.290 256 I C -1.290 174.708 176.117 -0.199 0.000 1.008 256 I CA -0.393 60.888 61.300 -0.032 0.000 1.226 256 I CB 1.000 38.993 38.000 -0.013 0.000 1.371 256 I HN 0.579 nan 8.210 nan 0.000 0.468 257 Y N 5.568 125.554 120.300 -0.523 0.000 2.377 257 Y HA 0.449 5.000 4.550 0.000 0.000 0.339 257 Y C 0.771 176.438 175.900 -0.388 0.000 1.011 257 Y CA -0.505 57.228 58.100 -0.612 0.000 1.093 257 Y CB 1.766 39.574 38.460 -1.086 0.000 1.201 257 Y HN 0.633 nan 8.280 nan 0.000 0.455 258 T N 0.782 114.778 114.554 -0.930 0.000 3.144 258 T HA 0.390 4.740 4.350 0.000 0.000 0.290 258 T C 0.635 174.978 174.700 -0.595 0.000 0.966 258 T CA 0.180 61.956 62.100 -0.539 0.000 0.907 258 T CB -0.334 68.363 68.868 -0.284 0.000 1.152 258 T HN 0.782 nan 8.240 nan 0.000 0.532 259 G N 2.322 110.434 108.800 -1.147 0.000 2.508 259 G HA2 0.592 4.552 3.960 0.000 0.000 0.278 259 G HA3 0.592 4.552 3.960 0.000 0.000 0.278 259 G C -2.812 172.015 174.900 -0.122 0.000 1.389 259 G CA -1.651 43.117 45.100 -0.554 0.000 1.050 259 G HN 0.201 nan 8.290 nan 0.000 0.522 260 P HA 0.152 nan 4.420 nan 0.000 0.271 260 P C 1.137 178.652 177.300 0.358 0.000 1.216 260 P CA -0.422 62.736 63.100 0.096 0.000 0.776 260 P CB 1.140 32.745 31.700 -0.158 0.000 0.881 261 V N 2.261 122.405 119.914 0.383 0.000 2.295 261 V HA -0.260 3.860 4.120 0.000 0.000 0.246 261 V C 2.016 178.112 176.094 0.003 0.000 1.049 261 V CA 2.411 64.875 62.300 0.273 0.000 1.024 261 V CB -1.499 30.496 31.823 0.287 0.000 0.648 261 V HN 0.546 nan 8.190 nan 0.000 0.447 262 D N 2.339 122.608 120.400 -0.220 0.000 2.104 262 D HA -0.202 4.438 4.640 0.000 0.000 0.194 262 D C 2.017 178.008 176.300 -0.515 0.000 0.994 262 D CA 2.006 55.682 54.000 -0.540 0.000 0.830 262 D CB -0.709 39.988 40.800 -0.171 0.000 0.959 262 D HN 0.439 nan 8.370 nan 0.000 0.452 263 A N -0.288 122.236 122.820 -0.494 0.000 1.972 263 A HA -0.046 4.274 4.320 0.000 0.000 0.219 263 A C 2.108 179.461 177.584 -0.385 0.000 1.169 263 A CA 1.103 52.672 52.037 -0.780 0.000 0.635 263 A CB -1.258 17.628 19.000 -0.190 0.000 0.810 263 A HN 0.295 nan 8.150 nan 0.000 0.446 264 F N -0.995 118.745 119.950 -0.351 0.000 2.293 264 F HA -0.010 4.517 4.527 0.000 0.000 0.300 264 F C 1.084 176.575 175.800 -0.514 0.000 1.086 264 F CA 1.147 58.830 58.000 -0.528 0.000 1.375 264 F CB -0.022 38.394 39.000 -0.974 0.000 1.045 264 F HN 0.204 nan 8.300 nan 0.000 0.516 265 F N 0.356 120.306 119.950 -0.000 0.000 2.647 265 F HA 0.181 4.708 4.527 0.000 0.000 0.300 265 F C 0.270 176.035 175.800 -0.057 0.000 1.106 265 F CA -0.400 57.624 58.000 0.041 0.000 1.313 265 F CB -0.026 39.154 39.000 0.300 0.000 1.007 265 F HN -0.123 nan 8.300 nan 0.000 0.536 266 D N -0.544 119.773 120.400 -0.140 0.000 3.041 266 D HA -0.266 4.374 4.640 0.000 0.000 0.220 266 D C 0.188 176.526 176.300 0.064 0.000 1.157 266 D CA 0.889 54.815 54.000 -0.123 0.000 0.876 266 D CB -1.884 38.925 40.800 0.016 0.000 1.107 266 D HN 0.391 nan 8.370 nan 0.000 0.422 267 F N -2.687 117.417 119.950 0.256 0.000 3.084 267 F HA -0.378 4.149 4.527 0.000 0.000 0.286 267 F C 2.407 178.359 175.800 0.254 0.000 0.855 267 F CA 0.591 58.765 58.000 0.290 0.000 1.091 267 F CB -2.795 36.310 39.000 0.177 0.000 1.177 267 F HN 0.454 nan 8.300 nan 0.000 0.542 268 C N -2.160 117.310 119.300 0.284 0.000 2.411 268 C HA -0.193 4.267 4.460 0.000 0.000 0.279 268 C C 2.142 177.026 174.990 -0.175 0.000 1.288 268 C CA 1.346 60.349 59.018 -0.025 0.000 1.764 268 C CB -1.388 26.218 27.740 -0.224 0.000 1.974 268 C HN 0.537 nan 8.230 nan 0.000 0.498 269 Y N 2.564 122.908 120.300 0.072 0.000 2.468 269 Y HA 0.458 5.008 4.550 0.000 0.000 0.268 269 Y C 1.580 177.565 175.900 0.142 0.000 1.177 269 Y CA 0.588 58.657 58.100 -0.052 0.000 1.265 269 Y CB -0.568 37.624 38.460 -0.446 0.000 1.103 269 Y HN 0.760 nan 8.280 nan 0.000 0.522 270 G N 0.673 109.713 108.800 0.400 0.000 2.662 270 G HA2 -0.216 3.744 3.960 0.000 0.000 0.686 270 G HA3 -0.216 3.744 3.960 0.000 0.000 0.686 270 G C -0.970 174.196 174.900 0.442 0.000 1.271 270 G CA -1.164 44.141 45.100 0.342 0.000 0.816 270 G HN 0.132 nan 8.290 nan 0.000 0.608 271 K N 0.324 120.890 120.400 0.277 0.000 2.402 271 K HA 0.398 4.718 4.320 0.000 0.000 0.285 271 K C 0.807 177.556 176.600 0.249 0.000 1.054 271 K CA -0.301 56.140 56.287 0.256 0.000 1.001 271 K CB 0.266 32.796 32.500 0.050 0.000 0.946 271 K HN 0.568 nan 8.250 nan 0.000 0.473 272 L N 7.992 129.375 121.223 0.266 0.000 2.361 272 L HA 0.276 4.616 4.340 0.000 0.000 0.278 272 L C -2.060 174.872 176.870 0.104 0.000 1.113 272 L CA -2.010 52.877 54.840 0.079 0.000 0.849 272 L CB 0.877 42.863 42.059 -0.122 0.000 1.155 272 L HN 0.635 nan 8.230 nan 0.000 0.452 273 P HA 0.184 nan 4.420 nan 0.000 0.276 273 P C -1.657 175.698 177.300 0.093 0.000 1.230 273 P CA 0.210 63.398 63.100 0.147 0.000 0.776 273 P CB 0.396 32.182 31.700 0.144 0.000 0.888 274 Y N 1.302 121.751 120.300 0.247 0.000 2.346 274 Y HA 0.440 4.990 4.550 0.000 0.000 0.332 274 Y C 0.838 176.852 175.900 0.189 0.000 0.985 274 Y CA -1.042 57.200 58.100 0.237 0.000 1.112 274 Y CB 1.860 40.434 38.460 0.189 0.000 1.170 274 Y HN 0.185 nan 8.280 nan 0.000 0.447 275 R N 1.507 122.223 120.500 0.359 0.000 2.590 275 R HA 0.404 4.744 4.340 0.000 0.000 0.274 275 R C -0.132 176.333 176.300 0.277 0.000 1.061 275 R CA 0.232 56.475 56.100 0.239 0.000 1.081 275 R CB 0.776 31.098 30.300 0.036 0.000 0.984 275 R HN 0.666 nan 8.270 nan 0.000 0.448 276 S N 2.189 117.993 115.700 0.172 0.000 2.751 276 S HA 0.799 5.269 4.470 0.000 0.000 0.310 276 S C -1.388 173.360 174.600 0.245 0.000 1.128 276 S CA -0.777 57.522 58.200 0.166 0.000 0.931 276 S CB 0.666 63.862 63.200 -0.007 0.000 1.177 276 S HN 0.403 nan 8.310 nan 0.000 0.530 277 L N 1.385 122.794 121.223 0.310 0.000 2.472 277 L HA 0.534 4.874 4.340 0.000 0.000 0.260 277 L C -0.850 175.881 176.870 -0.231 0.000 0.963 277 L CA -0.607 54.229 54.840 -0.007 0.000 0.829 277 L CB 2.263 44.187 42.059 -0.225 0.000 1.348 277 L HN 0.637 nan 8.230 nan 0.000 0.408 278 E N 1.744 121.795 120.200 -0.249 0.000 2.214 278 E HA 0.559 4.909 4.350 0.000 0.000 0.274 278 E C -1.596 174.797 176.600 -0.345 0.000 0.977 278 E CA -0.528 55.739 56.400 -0.223 0.000 0.827 278 E CB 2.015 31.678 29.700 -0.062 0.000 1.130 278 E HN 0.243 nan 8.360 nan 0.000 0.394 279 F N 1.282 121.350 119.950 0.196 0.000 2.467 279 F HA 0.386 4.913 4.527 0.000 0.000 0.336 279 F C 0.374 176.222 175.800 0.081 0.000 1.123 279 F CA -0.943 57.130 58.000 0.121 0.000 0.964 279 F CB 1.521 40.556 39.000 0.060 0.000 1.136 279 F HN 0.135 nan 8.300 nan 0.000 0.447 280 R N 3.761 124.423 120.500 0.270 0.000 2.246 280 R HA 0.304 4.644 4.340 0.000 0.000 0.332 280 R C -0.915 175.453 176.300 0.113 0.000 0.974 280 R CA -0.489 55.729 56.100 0.196 0.000 0.837 280 R CB 0.329 30.763 30.300 0.225 0.000 1.145 280 R HN 0.699 nan 8.270 nan 0.000 0.467 281 H N 2.700 121.884 119.070 0.190 0.000 2.487 281 H HA 0.288 4.844 4.556 0.000 0.000 0.333 281 H C -0.541 174.841 175.328 0.091 0.000 1.114 281 H CA -0.224 55.908 56.048 0.140 0.000 1.310 281 H CB 1.976 31.783 29.762 0.074 0.000 1.462 281 H HN 0.579 nan 8.280 nan 0.000 0.516 282 E N 0.515 120.814 120.200 0.165 0.000 2.366 282 E HA 0.291 4.641 4.350 0.000 0.000 0.278 282 E C -1.157 175.363 176.600 -0.134 0.000 0.923 282 E CA -0.647 55.749 56.400 -0.005 0.000 0.761 282 E CB 2.251 31.946 29.700 -0.007 0.000 1.231 282 E HN 0.438 nan 8.360 nan 0.000 0.443 283 T N 2.075 116.474 114.554 -0.257 0.000 2.807 283 T HA 0.440 4.790 4.350 0.000 0.000 0.279 283 T C -0.943 173.503 174.700 -0.423 0.000 0.993 283 T CA -0.802 61.151 62.100 -0.245 0.000 0.970 283 T CB 0.519 69.314 68.868 -0.122 0.000 0.950 283 T HN 0.285 nan 8.240 nan 0.000 0.441 284 H N 1.444 120.529 119.070 0.026 0.000 2.569 284 H HA 0.288 4.844 4.556 0.000 0.000 0.357 284 H C -0.509 174.840 175.328 0.034 0.000 1.153 284 H CA -0.812 55.257 56.048 0.035 0.000 1.193 284 H CB 1.860 31.646 29.762 0.039 0.000 1.602 284 H HN 0.532 nan 8.280 nan 0.000 0.523 285 D N 1.548 122.050 120.400 0.170 0.000 2.845 285 D HA 0.117 4.757 4.640 0.000 0.000 0.235 285 D C -0.449 175.926 176.300 0.124 0.000 1.158 285 D CA 0.174 54.253 54.000 0.132 0.000 0.990 285 D CB -0.115 40.757 40.800 0.119 0.000 1.094 285 D HN 0.459 nan 8.370 nan 0.000 0.486 286 T N -0.569 114.056 114.554 0.119 0.000 2.840 286 T HA 0.155 4.505 4.350 0.000 0.000 0.317 286 T C 0.757 175.506 174.700 0.082 0.000 1.401 286 T CA -0.529 61.627 62.100 0.093 0.000 1.028 286 T CB 1.323 70.234 68.868 0.072 0.000 1.317 286 T HN 0.051 nan 8.240 nan 0.000 0.495 287 E N 0.746 120.986 120.200 0.067 0.000 2.106 287 E HA -0.029 4.321 4.350 0.000 0.000 0.192 287 E C 0.578 177.191 176.600 0.022 0.000 0.984 287 E CA 0.701 57.132 56.400 0.051 0.000 0.806 287 E CB 0.299 30.025 29.700 0.043 0.000 0.750 287 E HN 0.457 nan 8.360 nan 0.000 0.458 288 Q N 0.125 119.941 119.800 0.027 0.000 2.305 288 Q HA 0.227 4.567 4.340 0.000 0.000 0.271 288 Q C -0.509 175.518 176.000 0.045 0.000 1.046 288 Q CA -0.250 55.569 55.803 0.026 0.000 0.798 288 Q CB 1.839 30.586 28.738 0.014 0.000 1.286 288 Q HN 0.070 nan 8.270 nan 0.000 0.435 289 L N 3.803 125.062 121.223 0.060 0.000 2.547 289 L HA 0.465 4.805 4.340 0.000 0.000 0.218 289 L C -0.939 175.944 176.870 0.021 0.000 1.048 289 L CA 0.795 55.645 54.840 0.018 0.000 0.859 289 L CB 0.857 42.916 42.059 -0.000 0.000 1.128 289 L HN 0.588 nan 8.230 nan 0.000 0.483 290 L N 0.851 122.115 121.223 0.068 0.000 2.333 290 L HA 0.457 4.798 4.340 0.000 0.000 0.269 290 L C -1.627 175.269 176.870 0.044 0.000 1.010 290 L CA -1.627 53.215 54.840 0.003 0.000 0.818 290 L CB 1.454 43.447 42.059 -0.110 0.000 1.306 290 L HN -0.183 nan 8.230 nan 0.000 0.430 291 P HA 0.002 nan 4.420 nan 0.000 0.242 291 P C 0.276 177.511 177.300 -0.108 0.000 1.197 291 P CA 0.703 63.791 63.100 -0.020 0.000 0.765 291 P CB 0.581 32.253 31.700 -0.047 0.000 0.936 292 T N -3.087 111.229 114.554 -0.396 0.000 2.677 292 T HA 0.458 4.808 4.350 0.000 0.000 0.305 292 T C 1.115 175.269 174.700 -0.908 0.000 1.569 292 T CA 0.141 61.900 62.100 -0.568 0.000 0.984 292 T CB 0.478 69.157 68.868 -0.315 0.000 1.629 292 T HN -0.142 nan 8.240 nan 0.000 0.494 293 G N 0.500 108.970 108.800 -0.549 0.000 2.446 293 G HA2 0.152 4.112 3.960 0.000 0.000 0.217 293 G HA3 0.152 4.112 3.960 0.000 0.000 0.217 293 G C 0.382 175.162 174.900 -0.201 0.000 1.168 293 G CA 1.391 46.346 45.100 -0.242 0.000 0.771 293 G HN 0.809 nan 8.290 nan 0.000 0.551 294 T N -0.635 113.740 114.554 -0.299 0.000 2.916 294 T HA 0.506 4.856 4.350 0.000 0.000 0.298 294 T C -1.047 173.480 174.700 -0.289 0.000 1.031 294 T CA -0.499 61.455 62.100 -0.244 0.000 0.993 294 T CB 2.813 71.589 68.868 -0.154 0.000 1.045 294 T HN -0.039 nan 8.240 nan 0.000 0.454 295 V N 3.978 123.745 119.914 -0.245 0.000 2.370 295 V HA 0.427 4.547 4.120 0.000 0.000 0.283 295 V C -0.111 175.808 176.094 -0.291 0.000 1.023 295 V CA -0.968 61.153 62.300 -0.297 0.000 0.857 295 V CB 1.300 32.944 31.823 -0.299 0.000 0.985 295 V HN 0.726 nan 8.190 nan 0.000 0.443 296 N N 3.022 121.542 118.700 -0.300 0.000 2.498 296 N HA 0.445 5.185 4.740 0.000 0.000 0.287 296 N C -1.084 174.269 175.510 -0.262 0.000 1.097 296 N CA -0.224 52.754 53.050 -0.120 0.000 0.973 296 N CB 1.120 39.548 38.487 -0.099 0.000 1.153 296 N HN 0.566 nan 8.380 nan 0.000 0.472 297 Y N 1.248 121.664 120.300 0.193 0.000 2.805 297 Y HA 0.318 4.868 4.550 0.000 0.000 0.339 297 Y C -1.568 174.423 175.900 0.153 0.000 1.012 297 Y CA -1.621 56.573 58.100 0.157 0.000 1.262 297 Y CB 1.675 40.249 38.460 0.190 0.000 1.100 297 Y HN 0.524 nan 8.280 nan 0.000 0.559 298 P HA -0.034 nan 4.420 nan 0.000 0.225 298 P C 0.427 177.771 177.300 0.073 0.000 1.156 298 P CA 1.317 64.538 63.100 0.202 0.000 0.787 298 P CB 0.515 32.255 31.700 0.066 0.000 0.802 299 N N -1.323 117.405 118.700 0.047 0.000 2.143 299 N HA 0.116 4.856 4.740 0.000 0.000 0.222 299 N C -0.561 174.921 175.510 -0.047 0.000 1.264 299 N CA 0.170 53.209 53.050 -0.019 0.000 0.897 299 N CB 0.928 39.380 38.487 -0.059 0.000 1.092 299 N HN 0.141 nan 8.380 nan 0.000 0.516 300 D N -0.640 119.752 120.400 -0.013 0.000 2.645 300 D HA 0.513 5.153 4.640 0.000 0.000 0.228 300 D C -1.012 175.169 176.300 -0.200 0.000 1.148 300 D CA -0.180 53.704 54.000 -0.193 0.000 0.860 300 D CB 1.633 42.327 40.800 -0.177 0.000 1.548 300 D HN -0.127 nan 8.370 nan 0.000 0.460 301 Y N -0.650 119.444 120.300 -0.344 0.000 2.517 301 Y HA -0.154 4.396 4.550 0.000 0.000 0.021 301 Y C 1.240 176.829 175.900 -0.517 0.000 1.713 301 Y CA -0.055 57.675 58.100 -0.617 0.000 1.412 301 Y CB -0.957 36.701 38.460 -1.337 0.000 2.058 301 Y HN 0.473 nan 8.280 nan 0.000 0.255 302 A N 1.754 124.407 122.820 -0.279 0.000 1.902 302 A HA -0.050 4.270 4.320 0.000 0.000 0.217 302 A C 0.584 178.035 177.584 -0.223 0.000 1.181 302 A CA 1.910 53.884 52.037 -0.105 0.000 0.623 302 A CB -0.853 18.254 19.000 0.178 0.000 0.818 302 A HN 0.755 nan 8.150 nan 0.000 0.443 303 Y N -1.281 118.816 120.300 -0.337 0.000 2.314 303 Y HA 0.437 4.988 4.550 0.000 0.000 0.334 303 Y C 1.560 177.325 175.900 -0.226 0.000 1.266 303 Y CA -0.152 57.611 58.100 -0.561 0.000 1.391 303 Y CB -0.111 37.866 38.460 -0.806 0.000 1.306 303 Y HN 0.065 nan 8.280 nan 0.000 0.558 304 T N -1.503 113.047 114.554 -0.007 0.000 3.031 304 T HA 0.261 4.611 4.350 0.000 0.000 0.254 304 T C 0.164 175.028 174.700 0.273 0.000 1.060 304 T CA 0.297 62.381 62.100 -0.027 0.000 1.135 304 T CB -0.146 68.533 68.868 -0.315 0.000 0.896 304 T HN 0.839 nan 8.240 nan 0.000 0.472 305 R N -0.325 120.342 120.500 0.278 0.000 2.690 305 R HA 0.682 5.022 4.340 0.000 0.000 0.269 305 R C -2.241 174.091 176.300 0.054 0.000 1.037 305 R CA -1.115 55.136 56.100 0.253 0.000 0.877 305 R CB 1.461 31.852 30.300 0.152 0.000 1.255 305 R HN 0.013 nan 8.270 nan 0.000 0.467 306 V N 0.642 120.521 119.914 -0.058 0.000 2.680 306 V HA 0.728 4.848 4.120 0.000 0.000 0.309 306 V C -0.409 175.477 176.094 -0.346 0.000 1.052 306 V CA -0.787 61.258 62.300 -0.426 0.000 0.908 306 V CB 1.970 33.433 31.823 -0.600 0.000 1.001 306 V HN 0.875 nan 8.190 nan 0.000 0.431 307 S N 1.880 117.310 115.700 -0.449 0.000 2.570 307 S HA 0.610 5.080 4.470 0.000 0.000 0.286 307 S C -0.886 173.377 174.600 -0.561 0.000 1.099 307 S CA -0.742 57.187 58.200 -0.451 0.000 0.913 307 S CB 2.210 65.122 63.200 -0.480 0.000 1.085 307 S HN 0.875 nan 8.310 nan 0.000 0.480 308 E N 1.097 121.040 120.200 -0.428 0.000 2.186 308 E HA 0.363 4.713 4.350 0.000 0.000 0.255 308 E C -0.473 175.985 176.600 -0.237 0.000 0.881 308 E CA -0.469 55.778 56.400 -0.254 0.000 0.752 308 E CB 0.371 30.093 29.700 0.036 0.000 1.176 308 E HN 0.566 nan 8.360 nan 0.000 0.421 309 F N 3.176 123.073 119.950 -0.089 0.000 2.202 309 F HA -0.156 4.371 4.527 0.000 0.000 0.301 309 F C 2.007 177.720 175.800 -0.144 0.000 1.082 309 F CA 0.992 58.887 58.000 -0.176 0.000 1.313 309 F CB -0.023 38.825 39.000 -0.252 0.000 1.024 309 F HN 0.445 nan 8.300 nan 0.000 0.495 310 K N -0.595 119.825 120.400 0.033 0.000 2.097 310 K HA -0.174 4.146 4.320 0.000 0.000 0.206 310 K C 1.857 178.402 176.600 -0.093 0.000 1.049 310 K CA 1.277 57.533 56.287 -0.051 0.000 0.933 310 K CB -0.357 32.090 32.500 -0.088 0.000 0.717 310 K HN 0.397 nan 8.250 nan 0.000 0.442 311 H N 0.107 119.139 119.070 -0.063 0.000 2.387 311 H HA -0.098 4.458 4.556 0.000 0.000 0.299 311 H C 2.121 177.310 175.328 -0.231 0.000 1.090 311 H CA 1.397 57.422 56.048 -0.039 0.000 1.332 311 H CB -0.001 29.785 29.762 0.039 0.000 1.386 311 H HN 0.182 nan 8.280 nan 0.000 0.516 312 I N 0.464 120.926 120.570 -0.179 0.000 2.333 312 I HA -0.170 4.000 4.170 0.000 0.000 0.246 312 I C 2.701 178.546 176.117 -0.454 0.000 1.106 312 I CA 1.503 62.465 61.300 -0.563 0.000 1.411 312 I CB -0.062 37.809 38.000 -0.215 0.000 1.082 312 I HN 0.276 nan 8.210 nan 0.000 0.420 313 T N -2.520 111.921 114.554 -0.189 0.000 3.009 313 T HA 0.223 4.573 4.350 0.000 0.000 0.258 313 T C 1.710 176.351 174.700 -0.099 0.000 1.063 313 T CA 0.688 62.718 62.100 -0.116 0.000 1.139 313 T CB 0.287 69.110 68.868 -0.075 0.000 0.890 313 T HN 0.473 nan 8.240 nan 0.000 0.471 314 G N 0.970 109.716 108.800 -0.090 0.000 2.175 314 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 314 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 314 G C -0.087 174.799 174.900 -0.023 0.000 0.982 314 G CA 0.171 45.244 45.100 -0.046 0.000 0.641 314 G HN 0.887 nan 8.290 nan 0.000 0.527 315 Q N 0.602 120.388 119.800 -0.024 0.000 2.311 315 Q HA 0.329 4.669 4.340 0.000 0.000 0.272 315 Q C 0.772 176.795 176.000 0.039 0.000 1.012 315 Q CA -0.279 55.535 55.803 0.018 0.000 0.891 315 Q CB 0.390 29.138 28.738 0.017 0.000 1.201 315 Q HN 0.562 nan 8.270 nan 0.000 0.391 316 R N 3.146 123.685 120.500 0.065 0.000 2.410 316 R HA 0.243 4.583 4.340 0.000 0.000 0.288 316 R C -1.152 175.237 176.300 0.149 0.000 1.051 316 R CA -0.210 55.935 56.100 0.075 0.000 1.021 316 R CB 0.745 31.076 30.300 0.051 0.000 1.032 316 R HN 0.744 nan 8.270 nan 0.000 0.481 317 H N 1.663 120.742 119.070 0.015 0.000 3.081 317 H HA 0.017 4.573 4.556 0.000 0.000 0.322 317 H C -0.261 175.069 175.328 0.005 0.000 1.266 317 H CA -0.287 55.762 56.048 0.002 0.000 1.279 317 H CB 0.821 30.541 29.762 -0.069 0.000 1.954 317 H HN 0.973 nan 8.280 nan 0.000 0.530 318 H N 0.726 119.784 119.070 -0.020 0.000 2.524 318 H HA 0.183 4.739 4.556 0.000 0.000 0.282 318 H C 0.127 175.575 175.328 0.200 0.000 1.016 318 H CA 0.485 56.573 56.048 0.066 0.000 1.270 318 H CB 0.755 30.506 29.762 -0.018 0.000 1.394 318 H HN 0.316 nan 8.280 nan 0.000 0.568 319 Q N -0.050 119.820 119.800 0.117 0.000 2.814 319 Q HA 0.474 4.814 4.340 0.000 0.000 0.283 319 Q C -0.824 175.162 176.000 -0.023 0.000 1.071 319 Q CA -1.032 54.791 55.803 0.034 0.000 0.849 319 Q CB 2.458 31.153 28.738 -0.073 0.000 1.437 319 Q HN 0.235 nan 8.270 nan 0.000 0.492 320 T N -0.348 114.180 114.554 -0.044 0.000 2.956 320 T HA 0.484 4.834 4.350 0.000 0.000 0.312 320 T C -1.494 173.190 174.700 -0.026 0.000 1.151 320 T CA -0.363 61.712 62.100 -0.042 0.000 1.024 320 T CB 1.615 70.501 68.868 0.029 0.000 1.140 320 T HN 0.416 nan 8.240 nan 0.000 0.473 321 S N 1.827 117.520 115.700 -0.012 0.000 2.482 321 S HA 0.821 5.291 4.470 0.000 0.000 0.303 321 S C -0.475 174.212 174.600 0.145 0.000 1.091 321 S CA -0.639 57.596 58.200 0.059 0.000 1.057 321 S CB 1.413 64.633 63.200 0.033 0.000 1.031 321 S HN 0.938 nan 8.310 nan 0.000 0.485 322 V N 0.618 120.596 119.914 0.107 0.000 3.040 322 V HA 0.946 5.066 4.120 0.000 0.000 0.312 322 V C -0.797 175.277 176.094 -0.033 0.000 1.115 322 V CA -0.788 61.473 62.300 -0.065 0.000 0.998 322 V CB 1.733 33.458 31.823 -0.163 0.000 1.042 322 V HN 0.598 nan 8.190 nan 0.000 0.433 323 V N 3.497 123.262 119.914 -0.248 0.000 2.588 323 V HA 0.668 4.788 4.120 0.000 0.000 0.304 323 V C -1.494 174.396 176.094 -0.340 0.000 1.042 323 V CA -0.422 61.735 62.300 -0.238 0.000 0.877 323 V CB 1.809 33.497 31.823 -0.226 0.000 0.996 323 V HN 0.884 nan 8.190 nan 0.000 0.425 324 Y N 3.992 124.205 120.300 -0.146 0.000 2.320 324 Y HA 0.550 5.100 4.550 0.000 0.000 0.334 324 Y C 0.558 176.438 175.900 -0.033 0.000 1.055 324 Y CA -0.303 57.660 58.100 -0.228 0.000 1.143 324 Y CB 1.447 39.655 38.460 -0.420 0.000 1.193 324 Y HN 0.595 nan 8.280 nan 0.000 0.477 325 E N 2.686 122.911 120.200 0.041 0.000 2.175 325 E HA 0.307 4.657 4.350 0.000 0.000 0.278 325 E C -1.673 174.866 176.600 -0.101 0.000 0.969 325 E CA -0.735 55.730 56.400 0.108 0.000 0.796 325 E CB 1.056 30.852 29.700 0.160 0.000 1.104 325 E HN 0.468 nan 8.360 nan 0.000 0.395 326 Y N 2.756 123.057 120.300 0.001 0.000 2.345 326 Y HA 0.275 4.826 4.550 0.000 0.000 0.331 326 Y C -2.246 173.608 175.900 -0.077 0.000 0.959 326 Y CA -3.070 55.026 58.100 -0.007 0.000 1.204 326 Y CB 1.095 39.560 38.460 0.009 0.000 1.135 326 Y HN 0.398 nan 8.280 nan 0.000 0.477 327 P HA 0.075 nan 4.420 nan 0.000 0.262 327 P C -0.358 176.948 177.300 0.011 0.000 1.182 327 P CA 0.142 63.213 63.100 -0.047 0.000 0.761 327 P CB 0.641 32.258 31.700 -0.137 0.000 0.795 328 R N 2.406 122.915 120.500 0.015 0.000 2.575 328 R HA 0.506 4.846 4.340 0.000 0.000 0.293 328 R C 0.794 177.116 176.300 0.037 0.000 0.983 328 R CA -0.990 55.127 56.100 0.029 0.000 0.887 328 R CB 1.435 31.752 30.300 0.029 0.000 1.184 328 R HN 0.379 nan 8.270 nan 0.000 0.445 329 A N 1.820 124.664 122.820 0.040 0.000 2.066 329 A HA -0.028 4.292 4.320 0.000 0.000 0.218 329 A C 0.489 178.108 177.584 0.059 0.000 1.157 329 A CA 1.087 53.159 52.037 0.058 0.000 0.670 329 A CB 0.090 19.123 19.000 0.056 0.000 0.804 329 A HN 0.584 nan 8.150 nan 0.000 0.453 330 E N -2.264 117.959 120.200 0.038 0.000 2.221 330 E HA 0.544 4.894 4.350 0.000 0.000 0.268 330 E C 0.151 176.758 176.600 0.011 0.000 0.933 330 E CA 0.576 56.992 56.400 0.027 0.000 0.809 330 E CB 1.657 31.368 29.700 0.017 0.000 1.190 330 E HN 0.734 nan 8.360 nan 0.000 0.406 331 G N 2.216 111.012 108.800 -0.006 0.000 2.373 331 G HA2 -0.129 3.831 3.960 0.000 0.000 0.634 331 G HA3 -0.129 3.831 3.960 0.000 0.000 0.634 331 G C -1.291 173.543 174.900 -0.110 0.000 1.267 331 G CA -0.741 44.339 45.100 -0.034 0.000 1.008 331 G HN 0.575 nan 8.290 nan 0.000 0.497 332 D N 2.517 122.811 120.400 -0.177 0.000 2.658 332 D HA 0.272 4.912 4.640 0.000 0.000 0.230 332 D C -1.517 174.407 176.300 -0.626 0.000 1.118 332 D CA 0.383 54.172 54.000 -0.352 0.000 0.848 332 D CB 0.737 41.327 40.800 -0.350 0.000 1.160 332 D HN 0.307 nan 8.370 nan 0.000 0.497 333 P HA -0.014 nan 4.420 nan 0.000 0.271 333 P C -0.301 176.807 177.300 -0.320 0.000 1.226 333 P CA 0.348 63.257 63.100 -0.319 0.000 0.765 333 P CB 0.265 31.654 31.700 -0.519 0.000 0.835 334 Y N 1.634 122.009 120.300 0.124 0.000 2.638 334 Y HA 0.177 4.727 4.550 0.000 0.000 0.275 334 Y C 0.439 176.258 175.900 -0.136 0.000 1.122 334 Y CA -0.196 57.894 58.100 -0.015 0.000 1.266 334 Y CB 0.399 38.849 38.460 -0.016 0.000 1.317 334 Y HN 0.207 nan 8.280 nan 0.000 0.501 335 Y N 0.438 120.887 120.300 0.248 0.000 2.462 335 Y HA 0.465 5.015 4.550 0.000 0.000 0.346 335 Y C -2.719 173.260 175.900 0.131 0.000 0.976 335 Y CA -3.904 54.257 58.100 0.101 0.000 1.044 335 Y CB 0.916 39.334 38.460 -0.069 0.000 1.230 335 Y HN -0.225 nan 8.280 nan 0.000 0.455 336 P HA 0.131 nan 4.420 nan 0.000 0.272 336 P C -0.760 176.416 177.300 -0.206 0.000 1.230 336 P CA -0.291 62.497 63.100 -0.520 0.000 0.788 336 P CB 0.804 31.847 31.700 -1.096 0.000 0.949 337 V N 3.641 123.443 119.914 -0.187 0.000 2.239 337 V HA 0.222 4.342 4.120 0.000 0.000 0.267 337 V C -2.199 173.810 176.094 -0.143 0.000 1.056 337 V CA -1.811 60.452 62.300 -0.061 0.000 0.830 337 V CB 0.569 32.461 31.823 0.114 0.000 1.090 337 V HN 0.493 nan 8.190 nan 0.000 0.459 338 P HA 0.241 nan 4.420 nan 0.000 0.264 338 P C -0.221 177.016 177.300 -0.105 0.000 1.229 338 P CA 0.279 63.303 63.100 -0.127 0.000 0.780 338 P CB 0.204 31.844 31.700 -0.099 0.000 0.808 339 R N 2.912 123.401 120.500 -0.017 0.000 2.712 339 R HA 0.399 4.739 4.340 0.000 0.000 0.272 339 R C -2.852 173.464 176.300 0.027 0.000 1.032 339 R CA -1.875 54.217 56.100 -0.014 0.000 0.874 339 R CB -0.129 30.155 30.300 -0.027 0.000 1.256 339 R HN -0.072 nan 8.270 nan 0.000 0.468 340 P HA -0.196 nan 4.420 nan 0.000 0.218 340 P C 0.344 177.664 177.300 0.032 0.000 1.148 340 P CA 1.532 64.647 63.100 0.024 0.000 0.822 340 P CB 0.138 31.845 31.700 0.011 0.000 0.784 341 E N -1.528 118.692 120.200 0.032 0.000 2.435 341 E HA -0.027 4.323 4.350 0.000 0.000 0.195 341 E C 1.283 177.913 176.600 0.049 0.000 1.029 341 E CA 0.410 56.831 56.400 0.033 0.000 0.865 341 E CB -0.598 29.121 29.700 0.032 0.000 0.833 341 E HN 0.257 nan 8.360 nan 0.000 0.510 342 N N 1.327 120.072 118.700 0.076 0.000 2.402 342 N HA 0.057 4.797 4.740 0.000 0.000 0.174 342 N C 1.766 177.350 175.510 0.124 0.000 1.027 342 N CA 1.071 54.184 53.050 0.105 0.000 0.891 342 N CB -0.046 38.555 38.487 0.190 0.000 1.016 342 N HN 0.222 nan 8.380 nan 0.000 0.439 343 A N 1.138 124.045 122.820 0.146 0.000 1.972 343 A HA -0.171 4.149 4.320 0.000 0.000 0.219 343 A C 2.159 179.805 177.584 0.104 0.000 1.169 343 A CA 1.729 53.867 52.037 0.169 0.000 0.635 343 A CB -0.375 18.701 19.000 0.128 0.000 0.810 343 A HN 0.393 nan 8.150 nan 0.000 0.446 344 E N -0.069 120.156 120.200 0.042 0.000 2.046 344 E HA -0.094 4.256 4.350 0.000 0.000 0.190 344 E C 1.885 178.446 176.600 -0.066 0.000 0.982 344 E CA 0.971 57.360 56.400 -0.019 0.000 0.800 344 E CB -0.374 29.312 29.700 -0.022 0.000 0.756 344 E HN 0.456 nan 8.360 nan 0.000 0.449 345 L N 0.074 121.280 121.223 -0.027 0.000 2.046 345 L HA -0.182 4.159 4.340 0.000 0.000 0.208 345 L C 2.359 179.223 176.870 -0.009 0.000 1.077 345 L CA 1.905 56.727 54.840 -0.031 0.000 0.747 345 L CB -0.491 41.601 42.059 0.056 0.000 0.896 345 L HN 0.370 nan 8.230 nan 0.000 0.432 346 Y N 0.916 121.155 120.300 -0.103 0.000 2.274 346 Y HA -0.259 4.291 4.550 0.000 0.000 0.290 346 Y C 2.571 178.445 175.900 -0.043 0.000 1.145 346 Y CA 1.523 59.563 58.100 -0.098 0.000 1.203 346 Y CB -0.173 38.162 38.460 -0.208 0.000 0.984 346 Y HN 0.051 nan 8.280 nan 0.000 0.533 347 K N 0.082 120.301 120.400 -0.301 0.000 2.057 347 K HA -0.210 4.110 4.320 0.000 0.000 0.207 347 K C 2.036 178.358 176.600 -0.463 0.000 1.049 347 K CA 1.572 57.629 56.287 -0.382 0.000 0.931 347 K CB -0.164 32.214 32.500 -0.203 0.000 0.714 347 K HN 0.129 nan 8.250 nan 0.000 0.440 348 K N 0.356 120.435 120.400 -0.535 0.000 2.034 348 K HA -0.186 4.134 4.320 0.000 0.000 0.214 348 K C 1.991 178.123 176.600 -0.781 0.000 1.051 348 K CA 1.786 57.529 56.287 -0.906 0.000 0.931 348 K CB -0.564 31.023 32.500 -1.521 0.000 0.715 348 K HN 0.265 nan 8.250 nan 0.000 0.446 349 Y N 0.176 120.203 120.300 -0.455 0.000 2.263 349 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 349 Y C 2.373 178.011 175.900 -0.436 0.000 1.130 349 Y CA 1.245 59.166 58.100 -0.297 0.000 1.179 349 Y CB -0.052 38.382 38.460 -0.043 0.000 0.998 349 Y HN 0.228 nan 8.280 nan 0.000 0.532 350 E N 0.472 120.323 120.200 -0.582 0.000 2.160 350 E HA -0.236 4.114 4.350 0.000 0.000 0.195 350 E C 2.244 178.664 176.600 -0.300 0.000 0.991 350 E CA 0.919 56.999 56.400 -0.532 0.000 0.810 350 E CB -0.113 29.169 29.700 -0.698 0.000 0.742 350 E HN 0.462 nan 8.360 nan 0.000 0.466 351 A N 0.828 123.463 122.820 -0.310 0.000 1.898 351 A HA -0.112 4.209 4.320 0.000 0.000 0.216 351 A C 2.150 179.609 177.584 -0.209 0.000 1.181 351 A CA 0.844 52.746 52.037 -0.225 0.000 0.620 351 A CB -0.462 18.396 19.000 -0.236 0.000 0.819 351 A HN 0.270 nan 8.150 nan 0.000 0.442 352 L N -0.880 120.153 121.223 -0.317 0.000 2.027 352 L HA -0.162 4.178 4.340 0.000 0.000 0.206 352 L C 3.146 179.866 176.870 -0.249 0.000 1.074 352 L CA 1.090 55.660 54.840 -0.450 0.000 0.745 352 L CB -0.744 40.674 42.059 -1.069 0.000 0.898 352 L HN 0.449 nan 8.230 nan 0.000 0.433 353 A N 0.138 122.846 122.820 -0.187 0.000 1.883 353 A HA -0.252 4.068 4.320 0.000 0.000 0.217 353 A C 1.941 179.542 177.584 0.029 0.000 1.186 353 A CA 2.082 54.016 52.037 -0.172 0.000 0.624 353 A CB -0.604 17.883 19.000 -0.854 0.000 0.822 353 A HN 0.376 nan 8.150 nan 0.000 0.444 354 D N -0.018 120.372 120.400 -0.017 0.000 2.149 354 D HA -0.086 4.554 4.640 0.000 0.000 0.198 354 D C 2.150 178.499 176.300 0.081 0.000 0.990 354 D CA 1.563 55.596 54.000 0.054 0.000 0.839 354 D CB -0.369 40.439 40.800 0.013 0.000 0.948 354 D HN 0.454 nan 8.370 nan 0.000 0.460 355 A N 0.882 123.731 122.820 0.047 0.000 2.014 355 A HA 0.187 4.507 4.320 0.000 0.000 0.218 355 A C 1.416 179.071 177.584 0.117 0.000 1.163 355 A CA 0.816 52.887 52.037 0.057 0.000 0.652 355 A CB -0.328 18.677 19.000 0.008 0.000 0.808 355 A HN 0.201 nan 8.150 nan 0.000 0.449 356 A N 0.171 123.110 122.820 0.199 0.000 2.491 356 A HA 0.325 4.645 4.320 0.000 0.000 0.261 356 A C 0.922 178.633 177.584 0.212 0.000 1.101 356 A CA 0.032 52.235 52.037 0.277 0.000 0.772 356 A CB 0.036 19.334 19.000 0.497 0.000 1.043 356 A HN 0.614 nan 8.150 nan 0.000 0.501 357 Q N 1.569 121.461 119.800 0.153 0.000 2.062 357 Q HA -0.066 4.274 4.340 0.000 0.000 0.196 357 Q C 0.092 176.147 176.000 0.091 0.000 0.967 357 Q CA 1.261 57.133 55.803 0.115 0.000 0.832 357 Q CB 0.180 28.970 28.738 0.087 0.000 0.899 357 Q HN 0.794 nan 8.270 nan 0.000 0.442 358 D N 0.505 120.915 120.400 0.018 0.000 2.491 358 D HA 0.163 4.803 4.640 0.000 0.000 0.228 358 D C -0.943 175.050 176.300 -0.511 0.000 1.183 358 D CA 0.210 54.102 54.000 -0.180 0.000 0.827 358 D CB 1.049 41.792 40.800 -0.095 0.000 0.989 358 D HN -0.054 nan 8.370 nan 0.000 0.494 359 V N 0.604 120.377 119.914 -0.235 0.000 2.577 359 V HA 0.260 4.381 4.120 0.000 0.000 0.303 359 V C 0.243 176.306 176.094 -0.052 0.000 1.042 359 V CA -0.578 61.567 62.300 -0.259 0.000 0.872 359 V CB 2.257 33.957 31.823 -0.205 0.000 0.998 359 V HN -0.117 nan 8.190 nan 0.000 0.423 360 T N 5.376 119.922 114.554 -0.013 0.000 2.794 360 T HA 0.654 5.004 4.350 0.000 0.000 0.280 360 T C -0.746 173.889 174.700 -0.110 0.000 0.987 360 T CA -0.022 62.163 62.100 0.141 0.000 0.993 360 T CB 0.461 69.506 68.868 0.294 0.000 0.939 360 T HN 0.308 nan 8.240 nan 0.000 0.449 361 F N 2.868 122.860 119.950 0.071 0.000 2.427 361 F HA 0.668 5.195 4.527 0.000 0.000 0.346 361 F C 0.251 176.106 175.800 0.092 0.000 1.120 361 F CA -0.722 57.318 58.000 0.067 0.000 1.033 361 F CB 1.521 40.573 39.000 0.088 0.000 1.126 361 F HN 0.239 nan 8.300 nan 0.000 0.462 362 V N 2.845 122.868 119.914 0.181 0.000 3.048 362 V HA 0.955 5.075 4.120 0.000 0.000 0.303 362 V C -0.520 175.644 176.094 0.117 0.000 1.214 362 V CA 0.261 62.653 62.300 0.153 0.000 0.984 362 V CB 1.422 33.311 31.823 0.109 0.000 1.054 362 V HN 1.279 nan 8.190 nan 0.000 0.430 363 G N 4.590 113.483 108.800 0.156 0.000 2.462 363 G HA2 -0.077 3.883 3.960 0.000 0.000 0.685 363 G HA3 -0.077 3.883 3.960 0.000 0.000 0.685 363 G C 0.065 175.051 174.900 0.143 0.000 1.295 363 G CA 0.251 45.444 45.100 0.154 0.000 0.941 363 G HN 1.236 nan 8.290 nan 0.000 0.554 364 R N -0.567 120.023 120.500 0.149 0.000 2.070 364 R HA 0.078 4.418 4.340 0.000 0.000 0.233 364 R C 2.588 178.959 176.300 0.119 0.000 1.137 364 R CA 1.913 58.082 56.100 0.114 0.000 0.945 364 R CB -0.391 30.004 30.300 0.159 0.000 0.845 364 R HN 0.528 nan 8.270 nan 0.000 0.430 365 L N -0.172 121.131 121.223 0.133 0.000 2.093 365 L HA -0.063 4.277 4.340 0.000 0.000 0.208 365 L C 2.526 179.560 176.870 0.272 0.000 1.085 365 L CA 1.231 56.185 54.840 0.191 0.000 0.755 365 L CB -0.403 41.644 42.059 -0.020 0.000 0.904 365 L HN 0.334 nan 8.230 nan 0.000 0.435 366 A N -0.491 122.450 122.820 0.201 0.000 2.081 366 A HA -0.065 4.255 4.320 0.000 0.000 0.214 366 A C 2.043 179.844 177.584 0.361 0.000 1.158 366 A CA 1.370 53.605 52.037 0.331 0.000 0.724 366 A CB -0.387 18.787 19.000 0.290 0.000 0.826 366 A HN 0.456 nan 8.150 nan 0.000 0.463 367 T N -6.954 107.732 114.554 0.221 0.000 3.085 367 T HA 0.183 4.533 4.350 0.000 0.000 0.264 367 T C 0.277 174.861 174.700 -0.194 0.000 1.019 367 T CA 0.001 62.182 62.100 0.135 0.000 0.910 367 T CB -0.492 68.454 68.868 0.130 0.000 1.059 367 T HN 0.557 nan 8.240 nan 0.000 0.542 368 Y N 2.256 122.374 120.300 -0.302 0.000 3.078 368 Y HA -0.252 4.299 4.550 0.000 0.000 0.202 368 Y C -0.255 175.418 175.900 -0.379 0.000 1.322 368 Y CA -0.055 57.792 58.100 -0.422 0.000 1.118 368 Y CB -1.745 36.163 38.460 -0.921 0.000 1.343 368 Y HN 0.457 nan 8.280 nan 0.000 0.499 369 R N 1.085 121.382 120.500 -0.338 0.000 2.599 369 R HA 0.265 4.605 4.340 0.000 0.000 0.295 369 R C -0.680 175.497 176.300 -0.206 0.000 0.963 369 R CA -1.160 54.680 56.100 -0.434 0.000 0.883 369 R CB 1.021 30.744 30.300 -0.962 0.000 1.171 369 R HN 0.154 nan 8.270 nan 0.000 0.450 370 Y N 3.923 124.121 120.300 -0.170 0.000 2.937 370 Y HA 0.065 4.615 4.550 0.000 0.000 0.364 370 Y C -0.946 175.086 175.900 0.220 0.000 1.164 370 Y CA -0.527 57.616 58.100 0.071 0.000 2.025 370 Y CB -0.528 38.008 38.460 0.127 0.000 2.155 370 Y HN 0.360 nan 8.280 nan 0.000 0.409 371 Y N 1.432 121.903 120.300 0.285 0.000 2.352 371 Y HA 0.260 4.810 4.550 0.000 0.000 0.326 371 Y C 0.687 176.665 175.900 0.130 0.000 1.166 371 Y CA -1.482 56.707 58.100 0.148 0.000 1.182 371 Y CB 0.720 39.237 38.460 0.095 0.000 1.216 371 Y HN 0.287 nan 8.280 nan 0.000 0.474 372 N N 2.175 120.965 118.700 0.149 0.000 2.434 372 N HA 0.210 4.950 4.740 0.000 0.000 0.266 372 N C 1.275 176.719 175.510 -0.109 0.000 1.223 372 N CA -0.298 52.748 53.050 -0.006 0.000 0.972 372 N CB 0.643 39.015 38.487 -0.193 0.000 1.207 372 N HN 0.632 nan 8.380 nan 0.000 0.525 373 M N 0.372 119.866 119.600 -0.178 0.000 2.073 373 M HA -0.234 4.246 4.480 0.000 0.000 0.258 373 M C 1.439 177.509 176.300 -0.382 0.000 1.070 373 M CA 1.740 56.844 55.300 -0.326 0.000 1.103 373 M CB -0.414 31.976 32.600 -0.350 0.000 1.321 373 M HN 0.580 nan 8.290 nan 0.000 0.405 374 D N -0.107 120.050 120.400 -0.406 0.000 2.182 374 D HA -0.216 4.424 4.640 0.000 0.000 0.201 374 D C 1.660 177.806 176.300 -0.258 0.000 0.986 374 D CA 1.512 55.341 54.000 -0.284 0.000 0.847 374 D CB -0.606 39.922 40.800 -0.454 0.000 0.942 374 D HN 0.540 nan 8.370 nan 0.000 0.467 375 Q N 0.224 119.821 119.800 -0.338 0.000 2.083 375 Q HA -0.025 4.315 4.340 0.000 0.000 0.198 375 Q C 2.687 178.443 176.000 -0.407 0.000 0.969 375 Q CA 0.865 56.378 55.803 -0.484 0.000 0.838 375 Q CB 0.096 28.376 28.738 -0.763 0.000 0.900 375 Q HN 0.177 nan 8.270 nan 0.000 0.436 376 V N 0.560 120.365 119.914 -0.181 0.000 2.287 376 V HA -0.256 3.864 4.120 0.000 0.000 0.248 376 V C 2.301 178.398 176.094 0.005 0.000 1.053 376 V CA 1.533 63.855 62.300 0.035 0.000 1.027 376 V CB -0.543 31.368 31.823 0.146 0.000 0.646 376 V HN 0.188 nan 8.190 nan 0.000 0.447 377 V N 0.395 120.281 119.914 -0.046 0.000 2.282 377 V HA -0.332 3.788 4.120 0.000 0.000 0.249 377 V C 2.684 178.728 176.094 -0.084 0.000 1.057 377 V CA 2.309 64.592 62.300 -0.030 0.000 1.032 377 V CB -1.207 30.613 31.823 -0.006 0.000 0.645 377 V HN 0.589 nan 8.190 nan 0.000 0.447 378 A N -1.207 121.552 122.820 -0.103 0.000 1.969 378 A HA -0.263 4.057 4.320 0.000 0.000 0.218 378 A C 2.256 179.805 177.584 -0.058 0.000 1.169 378 A CA 1.894 53.873 52.037 -0.096 0.000 0.635 378 A CB -0.448 18.483 19.000 -0.116 0.000 0.810 378 A HN 0.625 nan 8.150 nan 0.000 0.445 379 Q N -0.562 119.215 119.800 -0.037 0.000 2.049 379 Q HA -0.059 4.281 4.340 0.000 0.000 0.198 379 Q C 2.208 178.242 176.000 0.058 0.000 0.971 379 Q CA 1.288 57.123 55.803 0.052 0.000 0.833 379 Q CB -0.294 28.544 28.738 0.165 0.000 0.896 379 Q HN 0.578 nan 8.270 nan 0.000 0.434 380 A N 0.801 123.643 122.820 0.038 0.000 1.933 380 A HA -0.137 4.184 4.320 0.000 0.000 0.218 380 A C 2.031 179.621 177.584 0.012 0.000 1.175 380 A CA 1.072 53.126 52.037 0.029 0.000 0.628 380 A CB -0.627 18.383 19.000 0.016 0.000 0.814 380 A HN 0.435 nan 8.150 nan 0.000 0.444 381 L N -0.886 120.309 121.223 -0.047 0.000 2.141 381 L HA -0.144 4.196 4.340 0.000 0.000 0.209 381 L C 3.037 179.943 176.870 0.060 0.000 1.094 381 L CA 0.883 55.701 54.840 -0.037 0.000 0.763 381 L CB -0.472 41.493 42.059 -0.156 0.000 0.908 381 L HN 0.425 nan 8.230 nan 0.000 0.437 382 A N -0.450 122.391 122.820 0.036 0.000 1.930 382 A HA -0.181 4.139 4.320 0.000 0.000 0.217 382 A C 2.375 179.994 177.584 0.058 0.000 1.175 382 A CA 2.223 54.287 52.037 0.045 0.000 0.627 382 A CB -0.826 18.200 19.000 0.043 0.000 0.815 382 A HN 0.351 nan 8.150 nan 0.000 0.443 383 T N -0.676 113.924 114.554 0.078 0.000 2.708 383 T HA -0.131 4.219 4.350 0.000 0.000 0.266 383 T C 1.608 176.356 174.700 0.081 0.000 1.037 383 T CA 1.583 63.732 62.100 0.081 0.000 1.146 383 T CB -0.406 68.516 68.868 0.090 0.000 0.865 383 T HN 0.502 nan 8.240 nan 0.000 0.435 384 F N 2.358 122.280 119.950 -0.047 0.000 2.126 384 F HA -0.099 4.428 4.527 0.000 0.000 0.299 384 F C 2.363 178.142 175.800 -0.035 0.000 1.096 384 F CA 1.252 59.213 58.000 -0.064 0.000 1.255 384 F CB -0.300 38.655 39.000 -0.075 0.000 0.997 384 F HN -0.053 nan 8.300 nan 0.000 0.479 385 R N 0.043 120.442 120.500 -0.168 0.000 2.080 385 R HA -0.181 4.159 4.340 0.000 0.000 0.236 385 R C 2.467 178.655 176.300 -0.187 0.000 1.137 385 R CA 1.884 57.842 56.100 -0.237 0.000 0.943 385 R CB -0.498 29.758 30.300 -0.073 0.000 0.846 385 R HN 0.282 nan 8.270 nan 0.000 0.431 386 R N 0.226 120.676 120.500 -0.084 0.000 2.112 386 R HA -0.192 4.148 4.340 0.000 0.000 0.242 386 R C 2.253 178.511 176.300 -0.071 0.000 1.137 386 R CA 1.530 57.602 56.100 -0.046 0.000 0.944 386 R CB -0.484 29.821 30.300 0.009 0.000 0.857 386 R HN 0.087 nan 8.270 nan 0.000 0.435 387 L N 1.042 122.209 121.223 -0.092 0.000 2.042 387 L HA -0.219 4.121 4.340 0.000 0.000 0.210 387 L C 2.360 179.150 176.870 -0.133 0.000 1.076 387 L CA 1.723 56.510 54.840 -0.088 0.000 0.749 387 L CB -0.779 41.236 42.059 -0.073 0.000 0.893 387 L HN 0.195 nan 8.230 nan 0.000 0.432 388 Q N -0.536 119.097 119.800 -0.279 0.000 2.364 388 Q HA 0.052 4.392 4.340 0.000 0.000 0.207 388 Q C 1.037 176.951 176.000 -0.143 0.000 0.970 388 Q CA 0.795 56.438 55.803 -0.267 0.000 0.888 388 Q CB -0.277 28.173 28.738 -0.479 0.000 0.951 388 Q HN 0.508 nan 8.270 nan 0.000 0.469 389 G N 0.000 108.734 108.800 -0.110 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925