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 1k7i_1_A DATA FIRST_RESID 18 DATA SEQUENCE ANTSSAYNSV YDFLRYHDRG DGLTVNGKTS YSIDQAAAQI TRENVSWNGT DATA SEQUENCE NVFGKSANLT FKFLQSVSSI PSGDTGFVKF NAEQIEQAKL SLQSWSDVAN DATA SEQUENCE LTFTEVTGNK SANITFGNYT RDASGNLDYG TQAYAYYPGN YQGAGSSWYN DATA SEQUENCE YNQSNIRNPG SEEYGRQTFT HEIGHALGLA HPGEYNAGEG DPSYNDAVYA DATA SEQUENCE EDSYQFSIMS FWGENETGAD YNGHYGGAPM IDDIAAIQRL YGANMTTRTG DATA SEQUENCE DSVYGFNSNT DRDFYTATDS SKALIFSVWD AGGTDTFDFS GYSNNQRINL DATA SEQUENCE NEGSFSDVGG LKGNVSIAHG VTIENAIGGS GNDILVGNSA DNILQGGAGN DATA SEQUENCE DVLYGGAGAD TLYGGAGRDT FVYGSGQDST VAAYDWIADF QKGIDKIDLS DATA SEQUENCE AFRNEGQLSF VQDQFTGKGQ EVMLQWDAAN SITNLWLHEA GHSSVDFLVR DATA SEQUENCE IVGQAAQSDI IV 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.511 177.584 -0.121 0.000 1.274 18 A CA 0.000 51.974 52.037 -0.106 0.000 0.836 18 A CB 0.000 18.960 19.000 -0.067 0.000 0.831 19 N N 2.931 121.571 118.700 -0.099 0.000 2.719 19 N HA 0.232 4.972 4.740 -0.001 0.000 0.243 19 N C -0.122 175.319 175.510 -0.115 0.000 1.104 19 N CA 1.018 54.017 53.050 -0.085 0.000 0.981 19 N CB 0.514 38.973 38.487 -0.046 0.000 1.290 19 N HN 0.547 nan 8.380 nan 0.000 0.513 20 T N -0.463 113.986 114.554 -0.175 0.000 2.899 20 T HA 0.329 4.678 4.350 -0.001 0.000 0.284 20 T C 0.975 175.643 174.700 -0.054 0.000 1.004 20 T CA -0.824 61.138 62.100 -0.231 0.000 1.043 20 T CB 1.022 69.551 68.868 -0.565 0.000 1.013 20 T HN 0.363 nan 8.240 nan 0.000 0.518 21 S N 1.143 116.854 115.700 0.019 0.000 2.617 21 S HA 0.169 4.638 4.470 -0.001 0.000 0.259 21 S C 1.684 176.354 174.600 0.116 0.000 1.301 21 S CA -0.194 58.053 58.200 0.078 0.000 0.984 21 S CB 0.444 63.710 63.200 0.111 0.000 0.954 21 S HN 1.062 nan 8.310 nan 0.000 0.572 22 S N 0.739 116.491 115.700 0.088 0.000 2.402 22 S HA -0.023 4.446 4.470 -0.001 0.000 0.229 22 S C 1.985 176.640 174.600 0.092 0.000 1.021 22 S CA 0.586 58.833 58.200 0.078 0.000 0.974 22 S CB -1.216 62.013 63.200 0.048 0.000 0.800 22 S HN 1.086 nan 8.310 nan 0.000 0.484 23 A N 1.134 124.017 122.820 0.105 0.000 1.877 23 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 23 A C 2.052 179.707 177.584 0.119 0.000 1.186 23 A CA 1.475 53.570 52.037 0.096 0.000 0.620 23 A CB -1.335 17.730 19.000 0.108 0.000 0.822 23 A HN 0.664 nan 8.150 nan 0.000 0.443 24 Y N 1.485 121.816 120.300 0.051 0.000 2.128 24 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 24 Y C 2.208 178.134 175.900 0.044 0.000 1.154 24 Y CA 2.227 60.355 58.100 0.046 0.000 1.149 24 Y CB -0.225 38.260 38.460 0.042 0.000 0.976 24 Y HN 0.337 nan 8.280 nan 0.000 0.505 25 N N 0.125 118.985 118.700 0.267 0.000 2.166 25 N HA -0.190 4.550 4.740 -0.001 0.000 0.186 25 N C 2.103 177.672 175.510 0.098 0.000 1.019 25 N CA 1.651 54.812 53.050 0.185 0.000 0.856 25 N CB -0.782 37.793 38.487 0.147 0.000 0.993 25 N HN 0.580 nan 8.380 nan 0.000 0.426 26 S N -0.009 115.722 115.700 0.053 0.000 2.402 26 S HA -0.043 4.427 4.470 -0.001 0.000 0.229 26 S C 2.142 176.755 174.600 0.021 0.000 1.021 26 S CA 0.892 59.107 58.200 0.024 0.000 0.974 26 S CB -0.635 62.562 63.200 -0.006 0.000 0.800 26 S HN 0.042 nan 8.310 nan 0.000 0.484 27 V N 0.611 120.493 119.914 -0.053 0.000 2.323 27 V HA -0.073 4.046 4.120 -0.001 0.000 0.244 27 V C 2.217 178.211 176.094 -0.167 0.000 1.041 27 V CA 1.797 64.020 62.300 -0.128 0.000 1.025 27 V CB -1.061 30.544 31.823 -0.363 0.000 0.656 27 V HN 0.574 nan 8.190 nan 0.000 0.451 28 Y N 1.551 121.624 120.300 -0.378 0.000 2.114 28 Y HA -0.306 4.244 4.550 -0.001 0.000 0.282 28 Y C 2.416 178.257 175.900 -0.099 0.000 1.165 28 Y CA 2.294 60.215 58.100 -0.298 0.000 1.148 28 Y CB -0.253 38.052 38.460 -0.259 0.000 0.972 28 Y HN 0.339 nan 8.280 nan 0.000 0.504 29 D N -0.585 119.891 120.400 0.126 0.000 2.117 29 D HA -0.191 4.449 4.640 -0.001 0.000 0.198 29 D C 1.989 178.339 176.300 0.083 0.000 0.982 29 D CA 1.271 55.333 54.000 0.103 0.000 0.828 29 D CB -0.804 40.079 40.800 0.139 0.000 0.967 29 D HN 0.395 nan 8.370 nan 0.000 0.464 30 F N 1.572 121.475 119.950 -0.077 0.000 2.216 30 F HA -0.071 4.456 4.527 -0.001 0.000 0.300 30 F C 2.011 177.814 175.800 0.006 0.000 1.085 30 F CA 0.748 58.701 58.000 -0.077 0.000 1.326 30 F CB -0.424 38.514 39.000 -0.103 0.000 1.027 30 F HN -0.118 nan 8.300 nan 0.000 0.497 31 L N -0.248 120.854 121.223 -0.201 0.000 2.275 31 L HA -0.120 4.220 4.340 -0.001 0.000 0.215 31 L C 1.785 178.547 176.870 -0.180 0.000 1.119 31 L CA 1.067 55.741 54.840 -0.277 0.000 0.790 31 L CB -0.335 41.559 42.059 -0.276 0.000 0.919 31 L HN 0.009 nan 8.230 nan 0.000 0.443 32 R N -1.703 118.724 120.500 -0.121 0.000 2.507 32 R HA 0.059 4.399 4.340 -0.001 0.000 0.298 32 R C -0.367 175.989 176.300 0.094 0.000 0.999 32 R CA -0.414 55.661 56.100 -0.041 0.000 1.082 32 R CB 0.189 30.427 30.300 -0.103 0.000 1.246 32 R HN 0.014 nan 8.270 nan 0.000 0.553 33 Y N 2.356 122.634 120.300 -0.037 0.000 2.650 33 Y HA -0.122 4.428 4.550 -0.001 0.000 0.331 33 Y C 0.491 176.465 175.900 0.124 0.000 1.165 33 Y CA 0.179 58.295 58.100 0.027 0.000 1.473 33 Y CB -0.201 38.331 38.460 0.119 0.000 1.224 33 Y HN 0.306 nan 8.280 nan 0.000 0.533 34 H N 3.260 122.303 119.070 -0.045 0.000 2.770 34 H HA -0.235 4.321 4.556 -0.001 0.000 0.309 34 H C -0.293 175.081 175.328 0.076 0.000 1.206 34 H CA 0.795 56.795 56.048 -0.081 0.000 1.147 34 H CB -1.083 28.498 29.762 -0.301 0.000 1.422 34 H HN 0.668 nan 8.280 nan 0.000 0.420 35 D N 1.147 121.631 120.400 0.139 0.000 2.449 35 D HA 0.184 4.824 4.640 -0.001 0.000 0.236 35 D C 1.319 177.700 176.300 0.135 0.000 1.149 35 D CA 0.490 54.566 54.000 0.127 0.000 0.878 35 D CB 0.750 41.596 40.800 0.076 0.000 1.198 35 D HN 0.571 nan 8.370 nan 0.000 0.446 36 R N 0.102 120.679 120.500 0.130 0.000 2.781 36 R HA 0.677 5.017 4.340 -0.001 0.000 0.269 36 R C 0.316 176.668 176.300 0.087 0.000 1.025 36 R CA -0.682 55.485 56.100 0.112 0.000 0.914 36 R CB 0.849 31.227 30.300 0.129 0.000 1.236 36 R HN 0.546 nan 8.270 nan 0.000 0.465 37 G N 1.019 109.867 108.800 0.080 0.000 2.542 37 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.235 37 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.235 37 G C -0.125 174.799 174.900 0.040 0.000 1.286 37 G CA 1.374 46.503 45.100 0.049 0.000 0.904 37 G HN 1.330 nan 8.290 nan 0.000 0.577 38 D N -2.473 117.937 120.400 0.016 0.000 3.528 38 D HA 0.084 4.724 4.640 -0.001 0.000 0.163 38 D C 1.389 177.701 176.300 0.019 0.000 1.069 38 D CA 3.945 57.954 54.000 0.016 0.000 1.082 38 D CB -1.344 39.473 40.800 0.027 0.000 0.538 38 D HN 1.992 nan 8.370 nan 0.000 0.579 39 G N -0.284 108.532 108.800 0.027 0.000 4.222 39 G HA2 0.518 4.477 3.960 -0.001 0.000 0.301 39 G HA3 0.518 4.477 3.960 -0.001 0.000 0.301 39 G C 0.045 174.969 174.900 0.040 0.000 1.171 39 G CA -0.246 44.872 45.100 0.030 0.000 0.937 39 G HN 0.406 nan 8.290 nan 0.000 0.557 40 L N 1.320 122.572 121.223 0.049 0.000 2.418 40 L HA 0.559 4.899 4.340 -0.001 0.000 0.265 40 L C 0.544 177.450 176.870 0.059 0.000 1.143 40 L CA -0.445 54.427 54.840 0.053 0.000 0.809 40 L CB 1.612 43.706 42.059 0.058 0.000 1.124 40 L HN 0.182 nan 8.230 nan 0.000 0.456 41 T N -0.570 114.014 114.554 0.051 0.000 2.847 41 T HA 0.648 4.998 4.350 -0.001 0.000 0.291 41 T C -0.655 174.072 174.700 0.045 0.000 0.998 41 T CA -0.681 61.448 62.100 0.047 0.000 0.967 41 T CB 1.369 70.259 68.868 0.035 0.000 0.954 41 T HN 0.183 nan 8.240 nan 0.000 0.441 42 V N 3.919 123.862 119.914 0.049 0.000 2.495 42 V HA 0.465 4.584 4.120 -0.001 0.000 0.298 42 V C 0.212 176.340 176.094 0.056 0.000 1.031 42 V CA -1.061 61.272 62.300 0.054 0.000 0.871 42 V CB 1.286 33.150 31.823 0.068 0.000 0.988 42 V HN 1.054 nan 8.190 nan 0.000 0.432 43 N N 3.409 122.144 118.700 0.059 0.000 2.708 43 N HA -0.217 4.522 4.740 -0.001 0.000 0.249 43 N C 1.176 176.703 175.510 0.028 0.000 1.097 43 N CA 1.450 54.542 53.050 0.070 0.000 0.710 43 N CB -1.066 37.523 38.487 0.170 0.000 1.032 43 N HN 1.604 nan 8.380 nan 0.000 0.551 44 G N -1.325 107.483 108.800 0.014 0.000 2.166 44 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.260 44 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.260 44 G C 0.062 174.949 174.900 -0.022 0.000 0.986 44 G CA 1.208 46.305 45.100 -0.005 0.000 0.683 44 G HN 0.584 nan 8.290 nan 0.000 0.527 45 K N -0.177 120.211 120.400 -0.020 0.000 2.295 45 K HA 0.581 4.900 4.320 -0.001 0.000 0.239 45 K C 0.098 176.705 176.600 0.012 0.000 0.991 45 K CA -0.684 55.579 56.287 -0.039 0.000 0.845 45 K CB 1.305 33.737 32.500 -0.112 0.000 1.197 45 K HN 0.040 nan 8.250 nan 0.000 0.441 46 T N 1.018 115.591 114.554 0.033 0.000 2.916 46 T HA 0.008 4.358 4.350 -0.001 0.000 0.303 46 T C 0.167 174.953 174.700 0.144 0.000 1.025 46 T CA 0.140 62.306 62.100 0.110 0.000 1.142 46 T CB 0.724 69.706 68.868 0.190 0.000 0.947 46 T HN 0.419 nan 8.240 nan 0.000 0.544 47 S N 2.463 118.268 115.700 0.174 0.000 2.475 47 S HA 0.458 4.927 4.470 -0.001 0.000 0.281 47 S C -1.106 173.688 174.600 0.323 0.000 1.198 47 S CA -0.693 57.617 58.200 0.185 0.000 1.063 47 S CB 0.026 63.294 63.200 0.113 0.000 0.972 47 S HN 0.465 nan 8.310 nan 0.000 0.486 48 Y N 2.603 122.900 120.300 -0.004 0.000 2.387 48 Y HA 0.416 4.966 4.550 -0.001 0.000 0.330 48 Y C 1.083 176.930 175.900 -0.088 0.000 1.133 48 Y CA -1.457 56.570 58.100 -0.122 0.000 1.152 48 Y CB 1.514 39.726 38.460 -0.414 0.000 1.215 48 Y HN 0.802 nan 8.280 nan 0.000 0.466 49 S N 1.626 117.333 115.700 0.010 0.000 2.634 49 S HA 0.294 4.763 4.470 -0.001 0.000 0.261 49 S C 1.328 175.942 174.600 0.024 0.000 1.271 49 S CA -0.551 57.656 58.200 0.013 0.000 0.985 49 S CB 0.490 63.665 63.200 -0.043 0.000 0.968 49 S HN 0.612 nan 8.310 nan 0.000 0.568 50 I N 0.703 121.306 120.570 0.056 0.000 2.163 50 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 50 I C 1.895 178.023 176.117 0.019 0.000 1.085 50 I CA 1.643 62.995 61.300 0.087 0.000 1.347 50 I CB -0.491 37.567 38.000 0.097 0.000 1.044 50 I HN 0.629 nan 8.210 nan 0.000 0.408 51 D N 0.355 120.722 120.400 -0.055 0.000 2.144 51 D HA -0.167 4.472 4.640 -0.001 0.000 0.200 51 D C 2.263 178.498 176.300 -0.110 0.000 0.978 51 D CA 1.089 55.039 54.000 -0.083 0.000 0.833 51 D CB -0.219 40.507 40.800 -0.122 0.000 0.961 51 D HN 0.470 nan 8.370 nan 0.000 0.470 52 Q N 0.328 120.027 119.800 -0.170 0.000 2.119 52 Q HA -0.026 4.313 4.340 -0.001 0.000 0.201 52 Q C 2.211 178.097 176.000 -0.189 0.000 0.972 52 Q CA 1.239 56.854 55.803 -0.313 0.000 0.847 52 Q CB -0.050 28.313 28.738 -0.625 0.000 0.903 52 Q HN 0.199 nan 8.270 nan 0.000 0.433 53 A N 1.171 123.936 122.820 -0.093 0.000 1.898 53 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 53 A C 2.305 179.911 177.584 0.038 0.000 1.181 53 A CA 1.495 53.477 52.037 -0.093 0.000 0.620 53 A CB -0.729 18.290 19.000 0.030 0.000 0.819 53 A HN 0.384 nan 8.150 nan 0.000 0.442 54 A N -0.070 122.777 122.820 0.046 0.000 1.902 54 A HA 0.148 4.467 4.320 -0.001 0.000 0.217 54 A C 2.490 180.099 177.584 0.042 0.000 1.181 54 A CA 2.096 54.175 52.037 0.069 0.000 0.623 54 A CB -0.980 18.054 19.000 0.056 0.000 0.818 54 A HN 1.048 nan 8.150 nan 0.000 0.443 55 A N -0.996 121.819 122.820 -0.008 0.000 1.930 55 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 55 A C 2.143 179.736 177.584 0.014 0.000 1.175 55 A CA 2.062 54.088 52.037 -0.017 0.000 0.627 55 A CB -0.454 18.498 19.000 -0.079 0.000 0.815 55 A HN 0.551 nan 8.150 nan 0.000 0.443 56 Q N 0.238 120.058 119.800 0.033 0.000 2.079 56 Q HA -0.043 4.297 4.340 -0.001 0.000 0.200 56 Q C 1.673 177.731 176.000 0.097 0.000 0.974 56 Q CA 1.830 57.688 55.803 0.090 0.000 0.840 56 Q CB -0.479 28.348 28.738 0.148 0.000 0.898 56 Q HN 0.671 nan 8.270 nan 0.000 0.430 57 I N 0.152 120.789 120.570 0.113 0.000 2.493 57 I HA -0.163 4.006 4.170 -0.001 0.000 0.254 57 I C 1.332 177.474 176.117 0.042 0.000 1.160 57 I CA 1.542 62.908 61.300 0.110 0.000 1.445 57 I CB -0.275 37.817 38.000 0.154 0.000 1.086 57 I HN 0.323 nan 8.210 nan 0.000 0.433 58 T N -1.904 112.668 114.554 0.029 0.000 3.223 58 T HA 0.134 4.483 4.350 -0.001 0.000 0.259 58 T C 1.537 176.221 174.700 -0.027 0.000 1.015 58 T CA -0.585 61.507 62.100 -0.014 0.000 0.908 58 T CB -0.308 68.579 68.868 0.031 0.000 1.054 58 T HN 0.407 nan 8.240 nan 0.000 0.567 59 R N 1.138 121.623 120.500 -0.025 0.000 2.200 59 R HA -0.022 4.317 4.340 -0.001 0.000 0.234 59 R C 1.374 177.627 176.300 -0.078 0.000 1.127 59 R CA 1.048 57.131 56.100 -0.028 0.000 0.989 59 R CB -0.466 29.829 30.300 -0.008 0.000 0.869 59 R HN 0.260 nan 8.270 nan 0.000 0.459 60 E N 1.337 121.439 120.200 -0.162 0.000 2.418 60 E HA -0.071 4.278 4.350 -0.001 0.000 0.197 60 E C -0.063 176.406 176.600 -0.218 0.000 1.026 60 E CA 0.173 56.428 56.400 -0.241 0.000 0.862 60 E CB -0.302 29.104 29.700 -0.491 0.000 0.799 60 E HN 0.371 nan 8.360 nan 0.000 0.518 61 N N 0.372 118.968 118.700 -0.174 0.000 2.714 61 N HA -0.188 4.551 4.740 -0.001 0.000 0.252 61 N C -0.719 174.617 175.510 -0.289 0.000 1.014 61 N CA 0.688 53.628 53.050 -0.184 0.000 0.735 61 N CB -1.284 37.161 38.487 -0.070 0.000 0.924 61 N HN 0.063 nan 8.380 nan 0.000 0.540 62 V N -0.418 119.294 119.914 -0.337 0.000 2.789 62 V HA 0.819 4.939 4.120 -0.001 0.000 0.311 62 V C -0.196 175.676 176.094 -0.370 0.000 1.073 62 V CA 0.209 62.303 62.300 -0.343 0.000 0.921 62 V CB 2.307 33.930 31.823 -0.335 0.000 1.009 62 V HN 0.502 nan 8.190 nan 0.000 0.426 63 S N 3.730 119.219 115.700 -0.353 0.000 2.752 63 S HA 0.423 4.893 4.470 -0.001 0.000 0.284 63 S C -0.414 174.053 174.600 -0.222 0.000 1.189 63 S CA -0.537 57.481 58.200 -0.302 0.000 0.835 63 S CB 0.957 63.871 63.200 -0.477 0.000 1.192 63 S HN 0.716 nan 8.310 nan 0.000 0.506 64 W N 1.113 122.483 121.300 0.116 0.000 2.961 64 W HA 0.261 4.920 4.660 -0.001 0.000 0.240 64 W C 1.448 177.989 176.519 0.037 0.000 1.305 64 W CA -0.039 57.358 57.345 0.086 0.000 1.465 64 W CB -0.057 29.474 29.460 0.118 0.000 1.135 64 W HN 0.584 nan 8.180 nan 0.000 0.688 65 N N -0.444 118.345 118.700 0.149 0.000 2.236 65 N HA 0.223 4.962 4.740 -0.001 0.000 0.196 65 N C 0.859 176.350 175.510 -0.031 0.000 1.114 65 N CA 1.166 54.251 53.050 0.059 0.000 0.859 65 N CB 0.751 39.242 38.487 0.007 0.000 0.982 65 N HN 0.156 nan 8.380 nan 0.000 0.493 66 G N 0.243 108.997 108.800 -0.077 0.000 2.337 66 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.197 66 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.197 66 G C -0.787 174.003 174.900 -0.183 0.000 1.238 66 G CA -0.318 44.718 45.100 -0.107 0.000 1.119 66 G HN 0.212 nan 8.290 nan 0.000 0.514 67 T N -2.306 112.151 114.554 -0.163 0.000 2.824 67 T HA 0.577 4.926 4.350 -0.001 0.000 0.280 67 T C 0.353 174.922 174.700 -0.217 0.000 0.995 67 T CA 0.486 62.470 62.100 -0.193 0.000 1.009 67 T CB 1.438 70.231 68.868 -0.125 0.000 0.955 67 T HN 1.764 nan 8.240 nan 0.000 0.452 68 N N -0.486 118.027 118.700 -0.313 0.000 2.735 68 N HA -0.118 4.621 4.740 -0.001 0.000 0.248 68 N C -0.814 174.445 175.510 -0.419 0.000 1.083 68 N CA 0.640 53.514 53.050 -0.294 0.000 0.703 68 N CB -1.496 37.000 38.487 0.015 0.000 1.005 68 N HN 0.614 nan 8.380 nan 0.000 0.550 69 V N 0.970 120.448 119.914 -0.725 0.000 2.384 69 V HA 0.630 4.749 4.120 -0.001 0.000 0.287 69 V C -0.062 175.579 176.094 -0.756 0.000 1.020 69 V CA -0.498 61.519 62.300 -0.473 0.000 0.850 69 V CB 0.633 32.288 31.823 -0.281 0.000 0.987 69 V HN 0.133 nan 8.190 nan 0.000 0.436 70 F N 1.025 120.915 119.950 -0.100 0.000 2.579 70 F HA 0.739 5.265 4.527 -0.001 0.000 0.324 70 F C 1.172 176.928 175.800 -0.074 0.000 1.058 70 F CA -0.401 57.533 58.000 -0.110 0.000 0.944 70 F CB 1.735 40.684 39.000 -0.086 0.000 1.245 70 F HN 0.655 nan 8.300 nan 0.000 0.477 71 G N 1.489 110.361 108.800 0.120 0.000 2.258 71 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.274 71 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.274 71 G C -0.164 174.774 174.900 0.063 0.000 1.021 71 G CA 0.346 45.498 45.100 0.086 0.000 0.798 71 G HN 0.658 nan 8.290 nan 0.000 0.507 72 K N 0.698 121.115 120.400 0.027 0.000 2.307 72 K HA 0.564 4.883 4.320 -0.001 0.000 0.263 72 K C 1.016 177.698 176.600 0.137 0.000 0.973 72 K CA -0.057 56.262 56.287 0.052 0.000 0.846 72 K CB 0.892 33.400 32.500 0.013 0.000 1.100 72 K HN 0.351 nan 8.250 nan 0.000 0.438 73 S N 2.318 118.096 115.700 0.131 0.000 2.589 73 S HA 0.589 5.058 4.470 -0.001 0.000 0.265 73 S C -0.151 174.533 174.600 0.140 0.000 1.342 73 S CA -0.657 57.629 58.200 0.143 0.000 1.005 73 S CB 1.322 64.561 63.200 0.065 0.000 0.909 73 S HN 0.678 nan 8.310 nan 0.000 0.555 74 A N 1.119 123.965 122.820 0.043 0.000 2.520 74 A HA 0.630 4.949 4.320 -0.001 0.000 0.298 74 A C -1.018 176.467 177.584 -0.164 0.000 1.051 74 A CA -1.047 50.977 52.037 -0.021 0.000 0.690 74 A CB 0.925 19.953 19.000 0.046 0.000 1.281 74 A HN 0.896 nan 8.150 nan 0.000 0.402 75 N N 1.116 119.734 118.700 -0.138 0.000 2.469 75 N HA 0.591 5.331 4.740 -0.001 0.000 0.253 75 N C -1.100 174.290 175.510 -0.199 0.000 0.970 75 N CA -0.280 52.670 53.050 -0.166 0.000 0.940 75 N CB 1.249 39.678 38.487 -0.097 0.000 1.128 75 N HN 0.550 nan 8.380 nan 0.000 0.503 76 L N 1.065 122.136 121.223 -0.253 0.000 2.319 76 L HA 0.617 4.957 4.340 -0.001 0.000 0.267 76 L C 0.469 177.315 176.870 -0.041 0.000 1.011 76 L CA -0.937 53.763 54.840 -0.233 0.000 0.818 76 L CB 1.920 43.800 42.059 -0.297 0.000 1.316 76 L HN 0.435 nan 8.230 nan 0.000 0.432 77 T N -1.307 113.186 114.554 -0.101 0.000 2.918 77 T HA 0.775 5.124 4.350 -0.001 0.000 0.286 77 T C -0.680 174.032 174.700 0.021 0.000 1.026 77 T CA -0.600 61.468 62.100 -0.053 0.000 1.031 77 T CB 1.700 70.471 68.868 -0.161 0.000 1.046 77 T HN 0.418 nan 8.240 nan 0.000 0.479 78 F N -1.126 118.746 119.950 -0.130 0.000 2.599 78 F HA 0.884 5.411 4.527 -0.001 0.000 0.311 78 F C -0.903 174.740 175.800 -0.262 0.000 1.076 78 F CA -1.262 56.615 58.000 -0.205 0.000 0.937 78 F CB 2.090 40.989 39.000 -0.170 0.000 1.282 78 F HN 0.869 nan 8.300 nan 0.000 0.460 79 K N 2.370 122.646 120.400 -0.207 0.000 2.523 79 K HA 0.509 4.828 4.320 -0.001 0.000 0.257 79 K C -2.314 174.091 176.600 -0.325 0.000 0.932 79 K CA -0.660 55.440 56.287 -0.312 0.000 0.812 79 K CB 1.782 34.161 32.500 -0.201 0.000 1.326 79 K HN 0.734 nan 8.250 nan 0.000 0.433 80 F N 4.939 124.906 119.950 0.027 0.000 2.335 80 F HA 0.303 4.830 4.527 -0.001 0.000 0.365 80 F C 0.345 176.154 175.800 0.014 0.000 1.122 80 F CA -0.829 57.154 58.000 -0.028 0.000 1.151 80 F CB 0.656 39.638 39.000 -0.030 0.000 1.282 80 F HN 0.189 nan 8.300 nan 0.000 0.513 81 L N 4.295 125.606 121.223 0.145 0.000 2.525 81 L HA -0.006 4.333 4.340 -0.001 0.000 0.278 81 L C 1.139 178.220 176.870 0.352 0.000 1.218 81 L CA -0.028 54.917 54.840 0.175 0.000 0.878 81 L CB 0.503 42.639 42.059 0.127 0.000 1.127 81 L HN 0.617 nan 8.230 nan 0.000 0.492 82 Q N 1.394 121.327 119.800 0.222 0.000 2.378 82 Q HA 0.138 4.477 4.340 -0.001 0.000 0.216 82 Q C 0.220 176.385 176.000 0.275 0.000 0.892 82 Q CA 0.284 56.245 55.803 0.263 0.000 0.931 82 Q CB 0.950 29.776 28.738 0.146 0.000 1.086 82 Q HN 0.849 nan 8.270 nan 0.000 0.528 83 S N -1.136 114.560 115.700 -0.006 0.000 2.615 83 S HA 0.654 5.124 4.470 -0.001 0.000 0.268 83 S C -0.783 173.509 174.600 -0.514 0.000 1.146 83 S CA -0.543 57.510 58.200 -0.245 0.000 0.818 83 S CB 1.513 64.684 63.200 -0.049 0.000 1.111 83 S HN 0.076 nan 8.310 nan 0.000 0.465 84 V N -1.036 118.567 119.914 -0.518 0.000 3.114 84 V HA 0.831 4.951 4.120 -0.001 0.000 0.308 84 V C 0.859 176.853 176.094 -0.168 0.000 1.168 84 V CA -0.118 61.976 62.300 -0.342 0.000 1.015 84 V CB 1.244 32.828 31.823 -0.398 0.000 1.050 84 V HN 1.485 nan 8.190 nan 0.000 0.433 85 S N 1.003 116.641 115.700 -0.104 0.000 2.406 85 S HA 0.315 4.784 4.470 -0.001 0.000 0.224 85 S C 0.784 175.346 174.600 -0.064 0.000 1.030 85 S CA 0.614 58.774 58.200 -0.066 0.000 0.958 85 S CB -0.359 62.812 63.200 -0.049 0.000 0.811 85 S HN 2.410 nan 8.310 nan 0.000 0.489 86 S N -0.275 115.375 115.700 -0.082 0.000 2.614 86 S HA 0.501 4.970 4.470 -0.001 0.000 0.280 86 S C -1.319 173.185 174.600 -0.160 0.000 1.111 86 S CA -1.181 56.961 58.200 -0.096 0.000 0.847 86 S CB 0.012 63.164 63.200 -0.081 0.000 1.079 86 S HN 0.302 nan 8.310 nan 0.000 0.452 87 I N 2.934 123.353 120.570 -0.252 0.000 2.342 87 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 87 I C -1.024 174.850 176.117 -0.405 0.000 1.010 87 I CA -2.508 58.459 61.300 -0.555 0.000 1.308 87 I CB 1.628 39.203 38.000 -0.709 0.000 1.400 87 I HN 0.612 nan 8.210 nan 0.000 0.488 88 P HA -0.206 nan 4.420 nan 0.000 0.218 88 P C 1.223 178.416 177.300 -0.178 0.000 1.146 88 P CA 1.367 64.300 63.100 -0.279 0.000 0.813 88 P CB 0.126 31.558 31.700 -0.447 0.000 0.778 89 S N -1.905 113.685 115.700 -0.184 0.000 2.470 89 S HA 0.233 4.703 4.470 -0.001 0.000 0.225 89 S C 1.810 176.293 174.600 -0.195 0.000 1.006 89 S CA 0.857 58.954 58.200 -0.171 0.000 0.934 89 S CB -0.896 62.093 63.200 -0.351 0.000 0.778 89 S HN 0.337 nan 8.310 nan 0.000 0.517 90 G N 0.791 109.478 108.800 -0.188 0.000 2.213 90 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.226 90 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.226 90 G C -0.278 174.549 174.900 -0.122 0.000 0.992 90 G CA 0.000 45.019 45.100 -0.136 0.000 0.632 90 G HN 0.514 nan 8.290 nan 0.000 0.511 91 D N 1.499 121.798 120.400 -0.167 0.000 2.378 91 D HA 0.511 5.150 4.640 -0.001 0.000 0.238 91 D C 1.248 177.538 176.300 -0.017 0.000 1.180 91 D CA 1.447 55.384 54.000 -0.105 0.000 0.895 91 D CB 1.127 41.777 40.800 -0.249 0.000 1.192 91 D HN 0.636 nan 8.370 nan 0.000 0.438 92 T N -3.846 110.764 114.554 0.093 0.000 2.693 92 T HA 0.580 4.929 4.350 -0.001 0.000 0.278 92 T C 0.657 175.489 174.700 0.221 0.000 0.994 92 T CA -0.347 61.831 62.100 0.131 0.000 1.033 92 T CB 1.324 70.245 68.868 0.088 0.000 1.342 92 T HN 0.550 nan 8.240 nan 0.000 0.538 93 G N 0.613 109.533 108.800 0.201 0.000 2.298 93 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.287 93 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.287 93 G C -0.225 174.820 174.900 0.242 0.000 1.075 93 G CA -0.072 45.149 45.100 0.201 0.000 0.960 93 G HN 1.084 nan 8.290 nan 0.000 0.502 94 F N 0.251 120.295 119.950 0.156 0.000 2.602 94 F HA 0.448 4.975 4.527 -0.001 0.000 0.367 94 F C 0.354 176.226 175.800 0.120 0.000 1.126 94 F CA 0.313 58.428 58.000 0.192 0.000 1.321 94 F CB 0.850 39.963 39.000 0.189 0.000 1.094 94 F HN 0.171 nan 8.300 nan 0.000 0.594 95 V N 6.434 125.753 119.914 -0.992 0.000 2.668 95 V HA 0.227 4.346 4.120 -0.001 0.000 0.304 95 V C -0.587 174.832 176.094 -1.126 0.000 1.071 95 V CA -1.291 60.477 62.300 -0.886 0.000 0.894 95 V CB 1.853 33.223 31.823 -0.755 0.000 1.008 95 V HN 0.799 nan 8.190 nan 0.000 0.425 96 K N 3.830 123.802 120.400 -0.714 0.000 2.180 96 K HA 0.412 4.732 4.320 -0.001 0.000 0.251 96 K C -0.329 176.270 176.600 -0.002 0.000 1.014 96 K CA -0.339 55.828 56.287 -0.199 0.000 0.913 96 K CB 0.851 33.414 32.500 0.104 0.000 1.008 96 K HN 0.418 nan 8.250 nan 0.000 0.490 97 F N 2.066 121.980 119.950 -0.060 0.000 2.518 97 F HA -0.070 4.456 4.527 -0.001 0.000 0.359 97 F C 1.128 176.872 175.800 -0.093 0.000 1.118 97 F CA -0.608 57.357 58.000 -0.057 0.000 1.287 97 F CB 0.568 39.526 39.000 -0.069 0.000 1.132 97 F HN 0.780 nan 8.300 nan 0.000 0.587 98 N N 2.502 121.198 118.700 -0.006 0.000 2.413 98 N HA 0.350 5.090 4.740 -0.001 0.000 0.266 98 N C 0.485 175.941 175.510 -0.089 0.000 1.238 98 N CA -0.123 52.915 53.050 -0.020 0.000 0.972 98 N CB 0.464 38.971 38.487 0.034 0.000 1.210 98 N HN 0.544 nan 8.380 nan 0.000 0.547 99 A N -0.509 122.264 122.820 -0.078 0.000 1.908 99 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 99 A C 1.983 179.499 177.584 -0.113 0.000 1.181 99 A CA 1.871 53.846 52.037 -0.103 0.000 0.627 99 A CB -1.147 17.813 19.000 -0.067 0.000 0.818 99 A HN 0.908 nan 8.150 nan 0.000 0.445 100 E N -0.464 119.678 120.200 -0.097 0.000 2.106 100 E HA -0.228 4.122 4.350 -0.001 0.000 0.192 100 E C 2.156 178.695 176.600 -0.102 0.000 0.984 100 E CA 1.178 57.522 56.400 -0.094 0.000 0.806 100 E CB -0.167 29.476 29.700 -0.094 0.000 0.750 100 E HN 0.763 nan 8.360 nan 0.000 0.458 101 Q N 0.168 119.875 119.800 -0.156 0.000 2.124 101 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 101 Q C 2.325 178.259 176.000 -0.110 0.000 0.977 101 Q CA 1.411 57.103 55.803 -0.186 0.000 0.850 101 Q CB -0.058 28.230 28.738 -0.750 0.000 0.901 101 Q HN 0.422 nan 8.270 nan 0.000 0.429 102 I N 0.558 120.993 120.570 -0.225 0.000 2.179 102 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 102 I C 2.516 178.516 176.117 -0.195 0.000 1.088 102 I CA 0.891 61.911 61.300 -0.467 0.000 1.357 102 I CB -0.199 37.364 38.000 -0.728 0.000 1.051 102 I HN 0.187 nan 8.210 nan 0.000 0.409 103 E N 0.620 120.751 120.200 -0.115 0.000 2.051 103 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 103 E C 2.204 178.806 176.600 0.002 0.000 0.991 103 E CA 1.313 57.688 56.400 -0.042 0.000 0.799 103 E CB -0.104 29.573 29.700 -0.039 0.000 0.748 103 E HN 0.420 nan 8.360 nan 0.000 0.449 104 Q N -0.242 119.578 119.800 0.032 0.000 2.119 104 Q HA -0.046 4.294 4.340 -0.001 0.000 0.201 104 Q C 2.059 178.173 176.000 0.190 0.000 0.972 104 Q CA 1.231 57.092 55.803 0.097 0.000 0.847 104 Q CB -0.412 28.364 28.738 0.064 0.000 0.903 104 Q HN 0.261 nan 8.270 nan 0.000 0.433 105 A N 1.368 124.275 122.820 0.144 0.000 1.933 105 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 105 A C 2.091 179.577 177.584 -0.165 0.000 1.175 105 A CA 1.523 53.488 52.037 -0.120 0.000 0.628 105 A CB -0.308 18.328 19.000 -0.607 0.000 0.814 105 A HN 0.256 nan 8.150 nan 0.000 0.444 106 K N -0.381 119.963 120.400 -0.094 0.000 2.097 106 K HA -0.011 4.308 4.320 -0.001 0.000 0.206 106 K C 1.782 178.358 176.600 -0.040 0.000 1.049 106 K CA 1.254 57.480 56.287 -0.103 0.000 0.933 106 K CB -0.334 32.182 32.500 0.027 0.000 0.717 106 K HN 0.475 nan 8.250 nan 0.000 0.442 107 L N 0.386 121.620 121.223 0.019 0.000 2.093 107 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 107 L C 2.334 179.242 176.870 0.063 0.000 1.085 107 L CA 0.916 55.794 54.840 0.062 0.000 0.755 107 L CB -0.326 41.777 42.059 0.074 0.000 0.904 107 L HN 0.102 nan 8.230 nan 0.000 0.435 108 S N 0.130 115.860 115.700 0.049 0.000 2.368 108 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 108 S C 1.994 176.637 174.600 0.072 0.000 1.029 108 S CA 1.073 59.300 58.200 0.046 0.000 0.988 108 S CB -0.225 63.077 63.200 0.170 0.000 0.838 108 S HN 0.267 nan 8.310 nan 0.000 0.462 109 L N 1.331 122.541 121.223 -0.022 0.000 2.042 109 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 109 L C 2.819 179.776 176.870 0.145 0.000 1.076 109 L CA 1.526 56.268 54.840 -0.164 0.000 0.749 109 L CB -0.512 41.134 42.059 -0.688 0.000 0.893 109 L HN 0.394 nan 8.230 nan 0.000 0.432 110 Q N -0.014 119.859 119.800 0.121 0.000 2.124 110 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 110 Q C 2.266 178.400 176.000 0.224 0.000 0.977 110 Q CA 2.008 57.934 55.803 0.205 0.000 0.850 110 Q CB 0.001 28.834 28.738 0.157 0.000 0.901 110 Q HN 0.590 nan 8.270 nan 0.000 0.429 111 S N -1.385 114.394 115.700 0.131 0.000 2.447 111 S HA -0.128 4.341 4.470 -0.001 0.000 0.233 111 S C 1.305 175.883 174.600 -0.037 0.000 1.006 111 S CA 0.639 58.849 58.200 0.017 0.000 0.957 111 S CB -0.556 62.437 63.200 -0.346 0.000 0.773 111 S HN 0.585 nan 8.310 nan 0.000 0.507 112 W N 2.263 123.646 121.300 0.138 0.000 2.481 112 W HA 0.094 4.754 4.660 -0.001 0.000 0.293 112 W C 3.022 179.637 176.519 0.161 0.000 1.201 112 W CA 0.549 57.984 57.345 0.151 0.000 1.328 112 W CB -0.282 29.298 29.460 0.201 0.000 1.112 112 W HN 0.438 nan 8.180 nan 0.000 0.546 113 S N -0.584 115.401 115.700 0.475 0.000 2.481 113 S HA -0.155 4.315 4.470 -0.001 0.000 0.231 113 S C 1.222 175.944 174.600 0.204 0.000 0.996 113 S CA 1.380 59.731 58.200 0.251 0.000 0.942 113 S CB -0.393 62.946 63.200 0.232 0.000 0.768 113 S HN 0.084 nan 8.310 nan 0.000 0.520 114 D N 1.647 122.197 120.400 0.249 0.000 2.144 114 D HA -0.053 4.586 4.640 -0.001 0.000 0.200 114 D C 2.115 178.576 176.300 0.268 0.000 0.978 114 D CA 1.514 55.685 54.000 0.286 0.000 0.833 114 D CB -0.087 40.925 40.800 0.353 0.000 0.961 114 D HN 0.537 nan 8.370 nan 0.000 0.470 115 V N -2.640 117.332 119.914 0.096 0.000 3.125 115 V HA 0.513 4.632 4.120 -0.001 0.000 0.249 115 V C 0.738 176.627 176.094 -0.341 0.000 1.113 115 V CA 0.471 62.571 62.300 -0.335 0.000 1.106 115 V CB 0.014 31.671 31.823 -0.277 0.000 0.768 115 V HN 0.066 nan 8.190 nan 0.000 0.468 116 A N 0.612 123.406 122.820 -0.043 0.000 2.354 116 A HA 0.562 4.881 4.320 -0.001 0.000 0.321 116 A C -0.117 177.476 177.584 0.016 0.000 1.125 116 A CA -0.647 51.391 52.037 0.001 0.000 0.799 116 A CB 0.622 19.687 19.000 0.109 0.000 1.293 116 A HN 0.388 nan 8.150 nan 0.000 0.452 117 N N 0.650 119.374 118.700 0.040 0.000 2.819 117 N HA 0.382 5.122 4.740 -0.001 0.000 0.284 117 N C -1.173 174.293 175.510 -0.074 0.000 1.196 117 N CA 0.062 53.124 53.050 0.020 0.000 1.114 117 N CB -0.431 38.094 38.487 0.063 0.000 1.437 117 N HN 0.485 nan 8.380 nan 0.000 0.518 118 L N 1.110 122.226 121.223 -0.178 0.000 2.388 118 L HA 0.521 4.861 4.340 -0.001 0.000 0.264 118 L C -0.172 176.435 176.870 -0.439 0.000 0.998 118 L CA -0.931 53.654 54.840 -0.426 0.000 0.817 118 L CB 2.264 43.930 42.059 -0.656 0.000 1.338 118 L HN 0.229 nan 8.230 nan 0.000 0.414 119 T N -1.461 112.780 114.554 -0.520 0.000 2.861 119 T HA 0.702 5.052 4.350 -0.001 0.000 0.287 119 T C -0.895 173.533 174.700 -0.453 0.000 1.003 119 T CA -0.530 61.367 62.100 -0.338 0.000 0.977 119 T CB 1.213 69.996 68.868 -0.142 0.000 0.996 119 T HN 0.208 nan 8.240 nan 0.000 0.448 120 F N 1.160 121.151 119.950 0.068 0.000 2.493 120 F HA 0.577 5.103 4.527 -0.001 0.000 0.329 120 F C 0.450 176.410 175.800 0.267 0.000 1.126 120 F CA -0.791 57.310 58.000 0.167 0.000 0.937 120 F CB 2.664 41.746 39.000 0.138 0.000 1.146 120 F HN 0.580 nan 8.300 nan 0.000 0.442 121 T N 2.291 117.063 114.554 0.363 0.000 2.841 121 T HA 0.176 4.526 4.350 -0.001 0.000 0.285 121 T C -0.670 173.843 174.700 -0.312 0.000 0.991 121 T CA -0.758 61.394 62.100 0.086 0.000 0.966 121 T CB 1.556 70.421 68.868 -0.004 0.000 0.962 121 T HN 0.561 nan 8.240 nan 0.000 0.438 122 E N 2.519 122.334 120.200 -0.642 0.000 2.354 122 E HA 0.444 4.793 4.350 -0.001 0.000 0.269 122 E C -0.332 175.966 176.600 -0.503 0.000 1.036 122 E CA -0.617 55.112 56.400 -1.117 0.000 0.876 122 E CB 0.654 29.819 29.700 -0.892 0.000 1.009 122 E HN 0.506 nan 8.360 nan 0.000 0.416 123 V N 0.851 120.494 119.914 -0.451 0.000 3.001 123 V HA 0.780 4.900 4.120 -0.001 0.000 0.314 123 V C -0.179 175.808 176.094 -0.180 0.000 1.099 123 V CA -0.323 61.832 62.300 -0.242 0.000 0.989 123 V CB 1.499 33.203 31.823 -0.199 0.000 1.040 123 V HN 0.867 nan 8.190 nan 0.000 0.434 124 T N -1.087 113.404 114.554 -0.106 0.000 2.716 124 T HA 0.926 5.276 4.350 -0.001 0.000 0.286 124 T C 0.697 175.370 174.700 -0.044 0.000 1.052 124 T CA 0.226 62.292 62.100 -0.056 0.000 1.024 124 T CB 1.019 69.872 68.868 -0.026 0.000 1.349 124 T HN 2.702 nan 8.240 nan 0.000 0.525 125 G N 1.500 110.287 108.800 -0.021 0.000 2.547 125 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.271 125 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.271 125 G C 0.334 175.218 174.900 -0.027 0.000 1.209 125 G CA 0.550 45.639 45.100 -0.019 0.000 0.959 125 G HN 0.964 nan 8.290 nan 0.000 0.563 126 N N 1.258 119.941 118.700 -0.029 0.000 2.398 126 N HA 0.151 4.891 4.740 -0.001 0.000 0.188 126 N C 0.694 176.179 175.510 -0.042 0.000 1.122 126 N CA 0.676 53.707 53.050 -0.032 0.000 0.866 126 N CB 0.191 38.663 38.487 -0.026 0.000 0.970 126 N HN 0.560 nan 8.380 nan 0.000 0.462 127 K N 1.142 121.512 120.400 -0.051 0.000 2.448 127 K HA 0.063 4.383 4.320 -0.001 0.000 0.278 127 K C 0.474 177.030 176.600 -0.075 0.000 1.009 127 K CA -0.004 56.245 56.287 -0.063 0.000 0.995 127 K CB 0.448 32.903 32.500 -0.075 0.000 0.917 127 K HN 0.168 nan 8.250 nan 0.000 0.481 128 S N 0.992 116.647 115.700 -0.075 0.000 2.614 128 S HA 0.604 5.074 4.470 -0.001 0.000 0.265 128 S C -0.225 174.306 174.600 -0.116 0.000 1.303 128 S CA -0.952 57.198 58.200 -0.083 0.000 1.000 128 S CB 1.533 64.691 63.200 -0.069 0.000 0.935 128 S HN 0.656 nan 8.310 nan 0.000 0.551 129 A N 0.978 123.718 122.820 -0.133 0.000 2.539 129 A HA 0.618 4.937 4.320 -0.001 0.000 0.296 129 A C 0.271 177.722 177.584 -0.222 0.000 1.073 129 A CA -1.056 50.874 52.037 -0.178 0.000 0.700 129 A CB 0.769 19.662 19.000 -0.179 0.000 1.296 129 A HN 0.854 nan 8.150 nan 0.000 0.405 130 N N 0.012 118.498 118.700 -0.357 0.000 2.080 130 N HA 0.017 4.757 4.740 -0.001 0.000 0.189 130 N C 0.032 175.360 175.510 -0.303 0.000 1.036 130 N CA 1.377 54.024 53.050 -0.672 0.000 0.846 130 N CB -0.073 37.672 38.487 -1.237 0.000 1.015 130 N HN 0.671 nan 8.380 nan 0.000 0.423 131 I N 0.409 120.841 120.570 -0.230 0.000 2.433 131 I HA 0.260 4.429 4.170 -0.001 0.000 0.292 131 I C -0.371 175.540 176.117 -0.344 0.000 1.001 131 I CA -0.696 60.472 61.300 -0.221 0.000 1.119 131 I CB 1.879 39.738 38.000 -0.235 0.000 1.289 131 I HN 0.069 nan 8.210 nan 0.000 0.438 132 T N 1.869 116.119 114.554 -0.505 0.000 2.916 132 T HA 0.722 5.072 4.350 -0.001 0.000 0.292 132 T C -0.863 173.288 174.700 -0.915 0.000 1.055 132 T CA -0.679 61.096 62.100 -0.541 0.000 1.009 132 T CB 1.766 70.416 68.868 -0.363 0.000 1.118 132 T HN 0.183 nan 8.240 nan 0.000 0.497 133 F N -0.057 119.536 119.950 -0.596 0.000 2.540 133 F HA 0.807 5.333 4.527 -0.001 0.000 0.317 133 F C 0.704 176.097 175.800 -0.679 0.000 1.104 133 F CA -0.387 57.156 58.000 -0.761 0.000 0.913 133 F CB 2.737 40.996 39.000 -1.235 0.000 1.170 133 F HN 1.174 nan 8.300 nan 0.000 0.450 134 G N 1.965 110.631 108.800 -0.224 0.000 2.632 134 G HA2 0.392 4.351 3.960 -0.001 0.000 0.292 134 G HA3 0.392 4.351 3.960 -0.001 0.000 0.292 134 G C -2.045 173.244 174.900 0.649 0.000 1.465 134 G CA -0.974 44.290 45.100 0.274 0.000 0.824 134 G HN 0.432 nan 8.290 nan 0.000 0.509 135 N N -0.709 118.273 118.700 0.470 0.000 2.404 135 N HA 0.684 5.423 4.740 -0.001 0.000 0.297 135 N C -1.165 174.577 175.510 0.386 0.000 1.163 135 N CA -0.293 53.011 53.050 0.423 0.000 0.864 135 N CB 2.168 40.752 38.487 0.162 0.000 1.247 135 N HN 0.681 nan 8.380 nan 0.000 0.510 136 Y N -2.769 117.728 120.300 0.329 0.000 2.605 136 Y HA 0.640 5.189 4.550 -0.001 0.000 0.343 136 Y C 0.620 176.659 175.900 0.232 0.000 1.036 136 Y CA -0.899 57.361 58.100 0.266 0.000 1.065 136 Y CB 1.148 39.774 38.460 0.277 0.000 1.288 136 Y HN 0.526 nan 8.280 nan 0.000 0.481 137 T N -2.624 112.102 114.554 0.286 0.000 3.046 137 T HA 0.495 4.845 4.350 -0.001 0.000 0.270 137 T C 0.056 174.904 174.700 0.246 0.000 0.920 137 T CA -0.378 61.836 62.100 0.191 0.000 0.874 137 T CB 0.111 69.073 68.868 0.157 0.000 1.214 137 T HN 0.693 nan 8.240 nan 0.000 0.536 138 R N 1.462 122.144 120.500 0.302 0.000 2.799 138 R HA 0.615 4.955 4.340 -0.001 0.000 0.270 138 R C -1.472 174.948 176.300 0.200 0.000 1.010 138 R CA -0.866 55.364 56.100 0.216 0.000 0.916 138 R CB 1.135 31.527 30.300 0.153 0.000 1.228 138 R HN 0.275 nan 8.270 nan 0.000 0.469 139 D N 0.216 120.688 120.400 0.121 0.000 2.506 139 D HA 0.265 4.904 4.640 -0.001 0.000 0.272 139 D C 0.847 177.166 176.300 0.032 0.000 1.214 139 D CA -0.561 53.475 54.000 0.061 0.000 1.067 139 D CB 0.341 41.161 40.800 0.033 0.000 1.117 139 D HN 0.470 nan 8.370 nan 0.000 0.578 140 A N -0.443 122.374 122.820 -0.005 0.000 2.019 140 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 140 A C 1.958 179.544 177.584 0.003 0.000 1.164 140 A CA 1.400 53.430 52.037 -0.012 0.000 0.644 140 A CB -0.851 18.128 19.000 -0.035 0.000 0.805 140 A HN 0.430 nan 8.150 nan 0.000 0.449 141 S N -1.677 114.029 115.700 0.009 0.000 2.603 141 S HA 0.334 4.804 4.470 -0.001 0.000 0.220 141 S C 1.423 176.039 174.600 0.027 0.000 0.967 141 S CA 0.802 59.011 58.200 0.014 0.000 0.920 141 S CB -0.001 63.206 63.200 0.011 0.000 0.773 141 S HN 1.597 nan 8.310 nan 0.000 0.529 142 G N 2.052 110.876 108.800 0.039 0.000 2.143 142 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.249 142 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.249 142 G C -0.282 174.655 174.900 0.061 0.000 0.981 142 G CA -0.397 44.734 45.100 0.052 0.000 0.665 142 G HN 0.450 nan 8.290 nan 0.000 0.528 143 N N -0.096 118.640 118.700 0.059 0.000 2.487 143 N HA 0.513 5.253 4.740 -0.001 0.000 0.292 143 N C 0.237 175.798 175.510 0.085 0.000 1.108 143 N CA -0.679 52.410 53.050 0.064 0.000 0.956 143 N CB 1.717 40.232 38.487 0.047 0.000 1.176 143 N HN 0.244 nan 8.380 nan 0.000 0.484 144 L N 1.398 122.682 121.223 0.102 0.000 2.525 144 L HA -0.007 4.332 4.340 -0.001 0.000 0.278 144 L C 0.119 177.058 176.870 0.114 0.000 1.218 144 L CA 0.612 55.533 54.840 0.135 0.000 0.878 144 L CB 0.070 42.231 42.059 0.170 0.000 1.127 144 L HN 0.464 nan 8.230 nan 0.000 0.492 145 D N 3.397 123.879 120.400 0.136 0.000 2.453 145 D HA 0.164 4.804 4.640 -0.001 0.000 0.238 145 D C -0.356 176.015 176.300 0.118 0.000 1.088 145 D CA -0.312 53.738 54.000 0.084 0.000 0.854 145 D CB 0.524 41.441 40.800 0.196 0.000 1.076 145 D HN 0.462 nan 8.370 nan 0.000 0.533 146 Y N 1.799 122.153 120.300 0.089 0.000 2.584 146 Y HA 0.532 5.082 4.550 -0.001 0.000 0.254 146 Y C 1.289 177.226 175.900 0.062 0.000 1.177 146 Y CA -0.451 57.685 58.100 0.061 0.000 1.216 146 Y CB 0.439 38.922 38.460 0.039 0.000 1.172 146 Y HN 0.245 nan 8.280 nan 0.000 0.529 147 G N 0.631 109.367 108.800 -0.107 0.000 2.651 147 G HA2 0.048 4.007 3.960 -0.001 0.000 0.207 147 G HA3 0.048 4.007 3.960 -0.001 0.000 0.207 147 G C 0.739 175.680 174.900 0.069 0.000 1.131 147 G CA 0.594 45.672 45.100 -0.035 0.000 0.816 147 G HN 0.439 nan 8.290 nan 0.000 0.534 148 T N -1.941 112.688 114.554 0.125 0.000 2.754 148 T HA 0.443 4.793 4.350 -0.001 0.000 0.286 148 T C 0.863 175.703 174.700 0.234 0.000 0.997 148 T CA 0.298 62.523 62.100 0.208 0.000 0.982 148 T CB 2.023 71.085 68.868 0.325 0.000 1.027 148 T HN 0.151 nan 8.240 nan 0.000 0.529 149 Q N 0.463 120.428 119.800 0.274 0.000 2.642 149 Q HA 0.645 4.984 4.340 -0.001 0.000 0.202 149 Q C 0.014 176.208 176.000 0.322 0.000 0.845 149 Q CA 0.751 56.706 55.803 0.253 0.000 0.873 149 Q CB 0.327 29.192 28.738 0.213 0.000 1.190 149 Q HN 1.172 nan 8.270 nan 0.000 0.642 150 A N -1.277 121.751 122.820 0.347 0.000 2.544 150 A HA 0.628 4.948 4.320 -0.001 0.000 0.291 150 A C -1.900 175.858 177.584 0.291 0.000 1.055 150 A CA -0.214 51.960 52.037 0.230 0.000 0.651 150 A CB 0.402 19.496 19.000 0.157 0.000 1.296 150 A HN 0.565 nan 8.150 nan 0.000 0.431 151 Y N -3.304 117.081 120.300 0.142 0.000 2.713 151 Y HA 0.897 5.446 4.550 -0.001 0.000 0.335 151 Y C -0.466 175.457 175.900 0.038 0.000 1.222 151 Y CA -0.788 57.367 58.100 0.093 0.000 1.061 151 Y CB 0.621 39.082 38.460 0.001 0.000 1.314 151 Y HN 2.068 nan 8.280 nan 0.000 0.453 152 A N 0.265 123.146 122.820 0.102 0.000 2.599 152 A HA 0.806 5.125 4.320 -0.001 0.000 0.290 152 A C -2.591 174.834 177.584 -0.265 0.000 1.101 152 A CA -1.009 51.054 52.037 0.043 0.000 0.674 152 A CB 1.151 20.196 19.000 0.076 0.000 1.277 152 A HN 0.715 nan 8.150 nan 0.000 0.419 153 Y N -0.302 120.017 120.300 0.032 0.000 2.393 153 Y HA 0.539 5.088 4.550 -0.001 0.000 0.341 153 Y C -0.021 175.878 175.900 -0.001 0.000 0.988 153 Y CA -0.329 57.764 58.100 -0.012 0.000 1.078 153 Y CB 1.144 39.724 38.460 0.200 0.000 1.203 153 Y HN 0.643 nan 8.280 nan 0.000 0.453 154 Y N 3.110 123.503 120.300 0.154 0.000 2.459 154 Y HA 0.071 4.620 4.550 -0.001 0.000 0.349 154 Y C -1.791 174.007 175.900 -0.170 0.000 1.266 154 Y CA -1.793 56.299 58.100 -0.013 0.000 1.483 154 Y CB -0.023 38.415 38.460 -0.037 0.000 1.362 154 Y HN 0.357 nan 8.280 nan 0.000 0.628 155 P HA 0.217 nan 4.420 nan 0.000 0.270 155 P C -0.214 176.705 177.300 -0.634 0.000 1.223 155 P CA 0.327 62.700 63.100 -1.210 0.000 0.785 155 P CB 0.792 31.444 31.700 -1.746 0.000 0.923 156 G N 0.839 109.227 108.800 -0.686 0.000 2.324 156 G HA2 0.023 3.982 3.960 -0.001 0.000 0.293 156 G HA3 0.023 3.982 3.960 -0.001 0.000 0.293 156 G C -0.461 174.316 174.900 -0.204 0.000 1.297 156 G CA -0.536 44.413 45.100 -0.252 0.000 0.853 156 G HN 0.360 nan 8.290 nan 0.000 0.535 157 N N -0.473 118.205 118.700 -0.037 0.000 2.236 157 N HA 0.139 4.879 4.740 -0.001 0.000 0.196 157 N C 0.301 175.810 175.510 -0.002 0.000 1.114 157 N CA 0.121 53.169 53.050 -0.003 0.000 0.859 157 N CB 0.369 38.883 38.487 0.045 0.000 0.982 157 N HN 0.615 nan 8.380 nan 0.000 0.493 158 Y N 0.473 120.779 120.300 0.009 0.000 2.298 158 Y HA 0.427 4.976 4.550 -0.001 0.000 0.329 158 Y C 0.831 176.726 175.900 -0.008 0.000 1.293 158 Y CA -1.428 56.669 58.100 -0.005 0.000 1.388 158 Y CB 0.178 38.629 38.460 -0.014 0.000 1.309 158 Y HN -0.230 nan 8.280 nan 0.000 0.544 159 Q N 1.456 121.333 119.800 0.128 0.000 2.244 159 Q HA 0.368 4.707 4.340 -0.001 0.000 0.278 159 Q C 0.817 176.817 176.000 -0.000 0.000 1.093 159 Q CA 1.402 57.221 55.803 0.026 0.000 0.916 159 Q CB 0.095 28.851 28.738 0.030 0.000 1.159 159 Q HN 1.177 nan 8.270 nan 0.000 0.384 160 G N 2.412 111.152 108.800 -0.100 0.000 2.194 160 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.236 160 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.236 160 G C 0.191 174.984 174.900 -0.178 0.000 0.987 160 G CA -0.143 44.876 45.100 -0.135 0.000 0.635 160 G HN 1.094 nan 8.290 nan 0.000 0.520 161 A N 0.129 122.668 122.820 -0.469 0.000 2.546 161 A HA 0.606 4.926 4.320 -0.001 0.000 0.243 161 A C 2.111 179.695 177.584 0.001 0.000 1.063 161 A CA 2.104 53.813 52.037 -0.548 0.000 0.757 161 A CB -0.149 18.201 19.000 -1.083 0.000 0.991 161 A HN 2.401 nan 8.150 nan 0.000 0.503 162 G N 1.473 110.360 108.800 0.146 0.000 2.179 162 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.260 162 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.260 162 G C 0.596 175.539 174.900 0.072 0.000 0.977 162 G CA 0.907 46.184 45.100 0.296 0.000 0.641 162 G HN 2.207 nan 8.290 nan 0.000 0.533 163 S N 0.122 115.867 115.700 0.076 0.000 2.565 163 S HA 0.688 5.158 4.470 -0.001 0.000 0.276 163 S C 0.202 174.688 174.600 -0.191 0.000 1.326 163 S CA 0.655 58.786 58.200 -0.114 0.000 1.045 163 S CB 1.848 65.124 63.200 0.127 0.000 0.918 163 S HN 1.831 nan 8.310 nan 0.000 0.505 164 S N 2.023 117.292 115.700 -0.718 0.000 2.513 164 S HA 0.777 5.246 4.470 -0.001 0.000 0.299 164 S C -1.468 172.478 174.600 -1.090 0.000 1.087 164 S CA -0.964 56.842 58.200 -0.656 0.000 1.012 164 S CB 0.288 63.221 63.200 -0.446 0.000 1.044 164 S HN 0.845 nan 8.310 nan 0.000 0.485 165 W N 0.858 121.801 121.300 -0.595 0.000 2.915 165 W HA 0.678 5.337 4.660 -0.001 0.000 0.337 165 W C -1.623 174.505 176.519 -0.653 0.000 1.102 165 W CA -0.733 56.346 57.345 -0.443 0.000 1.224 165 W CB 1.264 30.430 29.460 -0.491 0.000 1.416 165 W HN 0.671 nan 8.180 nan 0.000 0.503 166 Y N 1.092 121.683 120.300 0.486 0.000 2.477 166 Y HA 0.289 4.839 4.550 -0.001 0.000 0.347 166 Y C 0.093 175.920 175.900 -0.122 0.000 0.981 166 Y CA -1.563 56.721 58.100 0.307 0.000 1.033 166 Y CB 1.386 40.078 38.460 0.385 0.000 1.245 166 Y HN 0.304 nan 8.280 nan 0.000 0.455 167 N N 1.705 120.288 118.700 -0.194 0.000 2.399 167 N HA -0.046 4.693 4.740 -0.001 0.000 0.259 167 N C 0.285 175.732 175.510 -0.106 0.000 1.160 167 N CA 0.233 52.959 53.050 -0.539 0.000 0.946 167 N CB 0.055 38.395 38.487 -0.245 0.000 1.156 167 N HN 0.748 nan 8.380 nan 0.000 0.489 168 Y N 3.419 123.595 120.300 -0.207 0.000 2.569 168 Y HA 0.007 4.557 4.550 -0.001 0.000 0.293 168 Y C 1.202 177.067 175.900 -0.058 0.000 1.144 168 Y CA 1.055 59.101 58.100 -0.090 0.000 1.321 168 Y CB 0.107 38.525 38.460 -0.070 0.000 0.982 168 Y HN 0.578 nan 8.280 nan 0.000 0.558 169 N N -0.136 118.568 118.700 0.007 0.000 2.461 169 N HA -0.045 4.695 4.740 -0.001 0.000 0.188 169 N C -0.228 175.268 175.510 -0.024 0.000 1.134 169 N CA 0.464 53.519 53.050 0.008 0.000 0.878 169 N CB 0.078 38.625 38.487 0.100 0.000 0.972 169 N HN 0.359 nan 8.380 nan 0.000 0.456 170 Q N 0.398 120.166 119.800 -0.054 0.000 2.303 170 Q HA 0.157 4.496 4.340 -0.001 0.000 0.257 170 Q C 1.101 177.028 176.000 -0.121 0.000 0.941 170 Q CA -0.132 55.646 55.803 -0.042 0.000 0.931 170 Q CB 1.698 30.439 28.738 0.006 0.000 1.215 170 Q HN 0.209 nan 8.270 nan 0.000 0.437 171 S N 2.634 118.268 115.700 -0.110 0.000 2.399 171 S HA -0.250 4.220 4.470 -0.001 0.000 0.231 171 S C 1.274 175.784 174.600 -0.149 0.000 1.022 171 S CA 1.704 59.816 58.200 -0.146 0.000 0.983 171 S CB -0.208 62.928 63.200 -0.107 0.000 0.803 171 S HN 0.769 nan 8.310 nan 0.000 0.480 172 N N 1.656 120.292 118.700 -0.105 0.000 2.309 172 N HA -0.055 4.684 4.740 -0.001 0.000 0.182 172 N C 1.570 176.961 175.510 -0.200 0.000 1.018 172 N CA 1.271 54.250 53.050 -0.119 0.000 0.876 172 N CB -0.409 38.055 38.487 -0.037 0.000 0.972 172 N HN 0.368 nan 8.380 nan 0.000 0.434 173 I N 0.634 121.103 120.570 -0.168 0.000 2.406 173 I HA -0.041 4.129 4.170 -0.001 0.000 0.249 173 I C 2.202 178.168 176.117 -0.253 0.000 1.122 173 I CA 0.892 62.087 61.300 -0.176 0.000 1.431 173 I CB -0.775 37.218 38.000 -0.011 0.000 1.087 173 I HN 0.279 nan 8.210 nan 0.000 0.424 174 R N 0.984 121.289 120.500 -0.325 0.000 2.119 174 R HA 0.002 4.341 4.340 -0.001 0.000 0.222 174 R C 0.157 176.297 176.300 -0.267 0.000 1.088 174 R CA 0.709 56.568 56.100 -0.402 0.000 0.984 174 R CB -0.040 29.911 30.300 -0.581 0.000 0.884 174 R HN 0.370 nan 8.270 nan 0.000 0.447 175 N N 0.975 119.533 118.700 -0.237 0.000 2.735 175 N HA 0.112 4.852 4.740 -0.001 0.000 0.312 175 N C -2.171 173.214 175.510 -0.208 0.000 1.843 175 N CA -1.132 51.805 53.050 -0.188 0.000 0.945 175 N CB 1.127 39.527 38.487 -0.145 0.000 1.299 175 N HN 0.096 nan 8.380 nan 0.000 0.489 176 P HA -0.075 nan 4.420 nan 0.000 0.225 176 P C 1.314 178.469 177.300 -0.241 0.000 1.148 176 P CA 0.886 63.757 63.100 -0.382 0.000 0.779 176 P CB 0.233 31.507 31.700 -0.710 0.000 0.780 177 G N 0.395 109.097 108.800 -0.162 0.000 2.551 177 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.216 177 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.216 177 G C 1.523 176.382 174.900 -0.069 0.000 1.137 177 G CA 0.873 45.914 45.100 -0.099 0.000 0.798 177 G HN 0.470 nan 8.290 nan 0.000 0.536 178 S N -0.829 114.827 115.700 -0.074 0.000 2.520 178 S HA 0.236 4.705 4.470 -0.001 0.000 0.219 178 S C 0.448 175.029 174.600 -0.031 0.000 1.028 178 S CA -0.335 57.840 58.200 -0.043 0.000 0.921 178 S CB 0.434 63.608 63.200 -0.044 0.000 0.844 178 S HN 0.307 nan 8.310 nan 0.000 0.495 179 E N 1.707 121.870 120.200 -0.061 0.000 2.101 179 E HA 0.287 4.636 4.350 -0.001 0.000 0.260 179 E C -0.239 176.337 176.600 -0.039 0.000 0.897 179 E CA -0.270 56.108 56.400 -0.036 0.000 0.744 179 E CB 1.130 30.791 29.700 -0.065 0.000 1.140 179 E HN 0.386 nan 8.360 nan 0.000 0.419 180 E N 1.199 121.431 120.200 0.054 0.000 2.187 180 E HA -0.273 4.076 4.350 -0.001 0.000 0.199 180 E C 1.197 177.799 176.600 0.003 0.000 1.004 180 E CA 1.291 57.748 56.400 0.095 0.000 0.813 180 E CB -0.064 29.805 29.700 0.281 0.000 0.736 180 E HN 0.528 nan 8.360 nan 0.000 0.468 181 Y N 0.868 121.011 120.300 -0.262 0.000 2.352 181 Y HA -0.085 4.465 4.550 -0.001 0.000 0.292 181 Y C 2.197 177.867 175.900 -0.383 0.000 1.136 181 Y CA 1.275 59.029 58.100 -0.577 0.000 1.227 181 Y CB -0.456 37.550 38.460 -0.757 0.000 0.991 181 Y HN -0.014 nan 8.280 nan 0.000 0.545 182 G N -0.198 108.390 108.800 -0.354 0.000 2.404 182 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.215 182 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.215 182 G C 1.738 176.159 174.900 -0.798 0.000 1.174 182 G CA 0.930 45.695 45.100 -0.559 0.000 0.780 182 G HN 0.318 nan 8.290 nan 0.000 0.537 183 R N 0.515 120.672 120.500 -0.572 0.000 2.081 183 R HA -0.044 4.296 4.340 -0.001 0.000 0.235 183 R C 2.511 178.647 176.300 -0.272 0.000 1.131 183 R CA 2.113 57.952 56.100 -0.434 0.000 0.960 183 R CB -0.808 29.359 30.300 -0.223 0.000 0.856 183 R HN 0.479 nan 8.270 nan 0.000 0.436 184 Q N -0.791 118.831 119.800 -0.296 0.000 2.124 184 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 184 Q C 1.470 177.339 176.000 -0.218 0.000 0.977 184 Q CA 2.327 57.976 55.803 -0.256 0.000 0.850 184 Q CB -0.129 28.412 28.738 -0.327 0.000 0.901 184 Q HN 0.412 nan 8.270 nan 0.000 0.429 185 T N 0.513 114.834 114.554 -0.388 0.000 2.788 185 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 185 T C 1.206 176.134 174.700 0.380 0.000 1.044 185 T CA 1.078 63.100 62.100 -0.129 0.000 1.139 185 T CB -0.257 68.482 68.868 -0.215 0.000 0.867 185 T HN 0.240 nan 8.240 nan 0.000 0.454 186 F N 2.085 122.106 119.950 0.118 0.000 2.102 186 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 186 F C 2.828 178.809 175.800 0.303 0.000 1.105 186 F CA 0.783 58.928 58.000 0.243 0.000 1.239 186 F CB -1.763 37.276 39.000 0.065 0.000 0.991 186 F HN 0.150 nan 8.300 nan 0.000 0.474 187 T N -1.587 113.204 114.554 0.396 0.000 2.746 187 T HA -0.255 4.094 4.350 -0.001 0.000 0.267 187 T C 1.782 176.802 174.700 0.534 0.000 1.039 187 T CA 1.858 64.188 62.100 0.383 0.000 1.142 187 T CB -0.617 68.278 68.868 0.046 0.000 0.866 187 T HN 0.373 nan 8.240 nan 0.000 0.444 188 H N 1.300 120.537 119.070 0.278 0.000 2.290 188 H HA -0.074 4.482 4.556 -0.001 0.000 0.298 188 H C 2.315 177.736 175.328 0.155 0.000 1.087 188 H CA 1.737 57.915 56.048 0.217 0.000 1.291 188 H CB 0.068 29.924 29.762 0.158 0.000 1.369 188 H HN 0.136 nan 8.280 nan 0.000 0.492 189 E N 0.458 120.926 120.200 0.448 0.000 2.110 189 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 189 E C 2.546 179.256 176.600 0.183 0.000 0.988 189 E CA 1.065 57.675 56.400 0.350 0.000 0.804 189 E CB -0.208 29.721 29.700 0.383 0.000 0.745 189 E HN 0.634 nan 8.360 nan 0.000 0.458 190 I N 0.880 121.583 120.570 0.223 0.000 2.361 190 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 190 I C 2.429 178.457 176.117 -0.149 0.000 1.133 190 I CA 1.131 62.467 61.300 0.060 0.000 1.413 190 I CB -0.534 37.574 38.000 0.180 0.000 1.073 190 I HN 0.110 nan 8.210 nan 0.000 0.424 191 G N 0.238 108.944 108.800 -0.156 0.000 2.446 191 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 191 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 191 G C 1.507 176.267 174.900 -0.234 0.000 1.168 191 G CA 0.780 45.616 45.100 -0.439 0.000 0.771 191 G HN 0.348 nan 8.290 nan 0.000 0.551 192 H N 0.845 119.871 119.070 -0.073 0.000 2.353 192 H HA 0.025 4.580 4.556 -0.001 0.000 0.300 192 H C 2.917 178.286 175.328 0.068 0.000 1.090 192 H CA 1.166 57.221 56.048 0.012 0.000 1.327 192 H CB -0.688 29.025 29.762 -0.082 0.000 1.383 192 H HN 0.377 nan 8.280 nan 0.000 0.508 193 A N 0.565 123.473 122.820 0.147 0.000 2.178 193 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 193 A C 2.388 180.107 177.584 0.224 0.000 1.157 193 A CA 0.802 52.932 52.037 0.155 0.000 0.689 193 A CB -0.562 18.481 19.000 0.072 0.000 0.787 193 A HN 0.315 nan 8.150 nan 0.000 0.465 194 L N -2.513 118.768 121.223 0.097 0.000 2.590 194 L HA 0.288 4.627 4.340 -0.001 0.000 0.227 194 L C 1.589 178.506 176.870 0.078 0.000 1.099 194 L CA 0.647 55.572 54.840 0.142 0.000 0.872 194 L CB 0.351 42.362 42.059 -0.080 0.000 1.088 194 L HN 0.528 nan 8.230 nan 0.000 0.479 195 G N -0.033 108.771 108.800 0.007 0.000 2.205 195 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.180 195 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.180 195 G C 0.068 174.892 174.900 -0.127 0.000 1.004 195 G CA -0.614 44.418 45.100 -0.113 0.000 0.670 195 G HN 0.077 nan 8.290 nan 0.000 0.496 196 L N 1.015 122.226 121.223 -0.020 0.000 2.375 196 L HA 0.761 5.100 4.340 -0.001 0.000 0.271 196 L C 0.804 177.773 176.870 0.164 0.000 1.107 196 L CA -0.174 54.662 54.840 -0.006 0.000 0.806 196 L CB 1.486 43.508 42.059 -0.061 0.000 1.146 196 L HN 0.312 nan 8.230 nan 0.000 0.447 197 A N 1.271 124.152 122.820 0.101 0.000 2.346 197 A HA 0.533 4.853 4.320 -0.001 0.000 0.313 197 A C -0.665 176.984 177.584 0.108 0.000 1.140 197 A CA -0.636 51.498 52.037 0.161 0.000 0.826 197 A CB 0.521 19.546 19.000 0.043 0.000 1.332 197 A HN 0.796 nan 8.150 nan 0.000 0.457 198 H N 0.128 119.217 119.070 0.032 0.000 2.871 198 H HA 0.093 4.648 4.556 -0.001 0.000 0.355 198 H C -1.591 173.634 175.328 -0.171 0.000 1.092 198 H CA -1.261 54.674 56.048 -0.188 0.000 1.420 198 H CB 0.498 29.862 29.762 -0.664 0.000 1.400 198 H HN 0.367 nan 8.280 nan 0.000 0.604 199 P HA -0.042 nan 4.420 nan 0.000 0.228 199 P C 0.155 177.520 177.300 0.108 0.000 1.151 199 P CA 0.928 64.142 63.100 0.189 0.000 0.770 199 P CB 0.511 32.356 31.700 0.241 0.000 0.786 200 G N -1.150 107.524 108.800 -0.209 0.000 2.694 200 G HA2 0.278 4.238 3.960 -0.001 0.000 0.290 200 G HA3 0.278 4.238 3.960 -0.001 0.000 0.290 200 G C -1.006 173.627 174.900 -0.444 0.000 1.386 200 G CA -0.408 44.587 45.100 -0.175 0.000 0.872 200 G HN -0.302 nan 8.290 nan 0.000 0.475 201 E N 0.916 121.051 120.200 -0.108 0.000 1.999 201 E HA 0.189 4.538 4.350 -0.001 0.000 0.296 201 E C -1.042 175.598 176.600 0.068 0.000 1.187 201 E CA 0.138 56.506 56.400 -0.054 0.000 1.229 201 E CB -0.419 29.297 29.700 0.026 0.000 1.131 201 E HN 0.452 nan 8.360 nan 0.000 0.478 202 Y N -1.167 119.209 120.300 0.127 0.000 2.534 202 Y HA 0.593 5.142 4.550 -0.001 0.000 0.345 202 Y C -0.359 175.638 175.900 0.162 0.000 1.031 202 Y CA -1.429 56.758 58.100 0.145 0.000 1.022 202 Y CB 1.360 39.943 38.460 0.206 0.000 1.292 202 Y HN -0.157 nan 8.280 nan 0.000 0.459 203 N N 0.657 119.616 118.700 0.431 0.000 2.284 203 N HA 0.642 5.381 4.740 -0.001 0.000 0.289 203 N C -1.242 174.559 175.510 0.486 0.000 1.179 203 N CA -0.798 52.509 53.050 0.428 0.000 0.774 203 N CB 2.544 41.158 38.487 0.212 0.000 1.548 203 N HN 1.015 nan 8.380 nan 0.000 0.473 204 A N -0.186 122.952 122.820 0.529 0.000 2.462 204 A HA 0.519 4.839 4.320 -0.001 0.000 0.243 204 A C 1.325 179.021 177.584 0.186 0.000 1.076 204 A CA 1.005 53.238 52.037 0.326 0.000 0.773 204 A CB -0.479 18.666 19.000 0.243 0.000 1.010 204 A HN 1.007 nan 8.150 nan 0.000 0.493 205 G N 1.084 109.962 108.800 0.132 0.000 2.396 205 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.242 205 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.242 205 G C 0.187 175.135 174.900 0.080 0.000 1.069 205 G CA 0.551 45.700 45.100 0.082 0.000 0.633 205 G HN 0.880 nan 8.290 nan 0.000 0.517 206 E N 1.765 122.030 120.200 0.109 0.000 2.003 206 E HA 0.452 4.801 4.350 -0.001 0.000 0.279 206 E C 1.111 177.778 176.600 0.112 0.000 1.132 206 E CA 0.283 56.740 56.400 0.096 0.000 0.888 206 E CB 0.364 30.126 29.700 0.103 0.000 1.056 206 E HN 1.386 nan 8.360 nan 0.000 0.399 207 G N 4.105 112.952 108.800 0.079 0.000 2.692 207 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 207 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 207 G C -0.419 174.532 174.900 0.086 0.000 1.340 207 G CA -0.041 45.103 45.100 0.074 0.000 0.896 207 G HN 0.757 nan 8.290 nan 0.000 0.570 208 D N 0.587 121.031 120.400 0.073 0.000 2.634 208 D HA 0.369 5.008 4.640 -0.001 0.000 0.318 208 D C -1.753 174.590 176.300 0.071 0.000 1.226 208 D CA -0.998 53.045 54.000 0.071 0.000 0.899 208 D CB 0.709 41.530 40.800 0.034 0.000 1.025 208 D HN 0.546 nan 8.370 nan 0.000 0.501 209 P HA 0.143 nan 4.420 nan 0.000 0.270 209 P C -0.108 177.193 177.300 0.002 0.000 1.223 209 P CA -0.017 63.165 63.100 0.136 0.000 0.785 209 P CB 1.291 33.184 31.700 0.322 0.000 0.923 210 S N -0.039 115.402 115.700 -0.431 0.000 2.688 210 S HA 0.158 4.627 4.470 -0.001 0.000 0.275 210 S C 0.580 174.174 174.600 -1.676 0.000 1.175 210 S CA -0.643 56.908 58.200 -1.082 0.000 0.818 210 S CB 0.417 63.316 63.200 -0.503 0.000 1.157 210 S HN 0.422 nan 8.310 nan 0.000 0.482 211 Y N 1.937 121.129 120.300 -1.846 0.000 2.315 211 Y HA -0.088 4.461 4.550 -0.001 0.000 0.288 211 Y C 1.822 177.295 175.900 -0.712 0.000 1.154 211 Y CA 2.137 59.355 58.100 -1.470 0.000 1.229 211 Y CB -0.607 37.358 38.460 -0.824 0.000 0.980 211 Y HN 0.666 nan 8.280 nan 0.000 0.540 212 N N 0.285 118.644 118.700 -0.568 0.000 2.364 212 N HA -0.152 4.587 4.740 -0.001 0.000 0.183 212 N C 0.722 176.015 175.510 -0.362 0.000 1.022 212 N CA 1.469 54.278 53.050 -0.402 0.000 0.883 212 N CB -0.237 38.104 38.487 -0.243 0.000 0.965 212 N HN 0.497 nan 8.380 nan 0.000 0.438 213 D N 0.630 120.814 120.400 -0.359 0.000 2.349 213 D HA 0.088 4.727 4.640 -0.001 0.000 0.215 213 D C 0.494 176.741 176.300 -0.088 0.000 1.016 213 D CA 0.018 53.923 54.000 -0.157 0.000 0.870 213 D CB -0.057 40.721 40.800 -0.037 0.000 0.917 213 D HN 0.118 nan 8.370 nan 0.000 0.524 214 A N 0.610 123.271 122.820 -0.264 0.000 2.540 214 A HA 0.109 4.428 4.320 -0.001 0.000 0.239 214 A C 1.622 179.099 177.584 -0.179 0.000 1.061 214 A CA -0.210 51.726 52.037 -0.168 0.000 0.758 214 A CB 0.614 19.328 19.000 -0.476 0.000 0.991 214 A HN 0.018 nan 8.150 nan 0.000 0.502 215 V N 2.153 122.026 119.914 -0.069 0.000 2.548 215 V HA -0.050 4.069 4.120 -0.001 0.000 0.249 215 V C 0.650 176.679 176.094 -0.109 0.000 1.055 215 V CA 2.142 64.425 62.300 -0.028 0.000 1.065 215 V CB -1.688 30.194 31.823 0.099 0.000 0.681 215 V HN 0.884 nan 8.190 nan 0.000 0.462 216 Y N -4.010 116.064 120.300 -0.377 0.000 2.581 216 Y HA 0.786 5.335 4.550 -0.001 0.000 0.345 216 Y C 0.893 176.625 175.900 -0.279 0.000 1.036 216 Y CA -0.690 57.107 58.100 -0.505 0.000 1.042 216 Y CB 1.242 38.975 38.460 -1.212 0.000 1.289 216 Y HN -0.179 nan 8.280 nan 0.000 0.471 217 A N 0.845 123.604 122.820 -0.102 0.000 1.940 217 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 217 A C 1.246 178.792 177.584 -0.063 0.000 1.176 217 A CA 2.034 54.048 52.037 -0.039 0.000 0.631 217 A CB -0.755 18.265 19.000 0.034 0.000 0.814 217 A HN 0.850 nan 8.150 nan 0.000 0.446 218 E N 0.600 120.698 120.200 -0.170 0.000 2.438 218 E HA 0.045 4.395 4.350 -0.001 0.000 0.192 218 E C -0.252 176.190 176.600 -0.262 0.000 1.110 218 E CA 0.160 56.270 56.400 -0.485 0.000 0.893 218 E CB -0.220 29.054 29.700 -0.710 0.000 0.990 218 E HN 0.470 nan 8.360 nan 0.000 0.490 219 D N 1.164 121.337 120.400 -0.379 0.000 2.517 219 D HA 0.094 4.733 4.640 -0.001 0.000 0.220 219 D C -0.792 175.698 176.300 0.316 0.000 1.158 219 D CA -0.226 53.675 54.000 -0.165 0.000 0.992 219 D CB -0.279 40.322 40.800 -0.331 0.000 1.058 219 D HN 0.043 nan 8.370 nan 0.000 0.516 220 S N 1.546 117.447 115.700 0.336 0.000 2.615 220 S HA 0.224 4.694 4.470 -0.001 0.000 0.269 220 S C 0.823 175.654 174.600 0.384 0.000 1.161 220 S CA -0.841 57.532 58.200 0.288 0.000 0.817 220 S CB 0.214 63.522 63.200 0.180 0.000 1.131 220 S HN 0.286 nan 8.310 nan 0.000 0.467 221 Y N 0.569 120.999 120.300 0.217 0.000 2.384 221 Y HA -0.213 4.337 4.550 -0.001 0.000 0.289 221 Y C 2.796 178.828 175.900 0.219 0.000 1.152 221 Y CA 1.242 59.479 58.100 0.228 0.000 1.258 221 Y CB -0.018 38.574 38.460 0.220 0.000 0.979 221 Y HN 0.807 nan 8.280 nan 0.000 0.549 222 Q N 0.153 120.095 119.800 0.238 0.000 2.170 222 Q HA -0.185 4.155 4.340 -0.001 0.000 0.203 222 Q C 1.049 177.001 176.000 -0.080 0.000 0.976 222 Q CA 1.681 57.474 55.803 -0.017 0.000 0.858 222 Q CB -0.083 28.342 28.738 -0.522 0.000 0.907 222 Q HN 0.497 nan 8.270 nan 0.000 0.433 223 F N -1.169 118.948 119.950 0.278 0.000 2.653 223 F HA 0.309 4.836 4.527 -0.001 0.000 0.288 223 F C 0.549 176.536 175.800 0.313 0.000 1.121 223 F CA -0.189 58.010 58.000 0.332 0.000 1.384 223 F CB 1.102 40.280 39.000 0.297 0.000 1.115 223 F HN -0.154 nan 8.300 nan 0.000 0.599 224 S N 0.192 116.187 115.700 0.492 0.000 2.603 224 S HA 0.399 4.868 4.470 -0.001 0.000 0.274 224 S C 0.071 174.918 174.600 0.411 0.000 1.168 224 S CA -0.693 57.751 58.200 0.406 0.000 0.963 224 S CB 0.661 64.104 63.200 0.404 0.000 1.078 224 S HN 0.183 nan 8.310 nan 0.000 0.477 225 I N 2.835 123.596 120.570 0.319 0.000 3.564 225 I HA 0.291 4.461 4.170 -0.001 0.000 0.294 225 I C 1.377 177.773 176.117 0.465 0.000 1.289 225 I CA 0.580 62.059 61.300 0.299 0.000 1.325 225 I CB -0.447 37.623 38.000 0.116 0.000 1.039 225 I HN 0.490 nan 8.210 nan 0.000 0.474 226 M N 0.009 119.844 119.600 0.392 0.000 2.556 226 M HA 0.191 4.670 4.480 -0.001 0.000 0.245 226 M C 1.192 177.758 176.300 0.444 0.000 1.128 226 M CA 0.230 55.704 55.300 0.290 0.000 1.069 226 M CB -0.892 31.792 32.600 0.140 0.000 1.469 226 M HN 0.431 nan 8.290 nan 0.000 0.494 227 S N -0.576 115.385 115.700 0.436 0.000 2.608 227 S HA 0.263 4.733 4.470 -0.001 0.000 0.261 227 S C 0.737 175.497 174.600 0.267 0.000 1.314 227 S CA -0.337 58.013 58.200 0.250 0.000 0.992 227 S CB 0.800 64.139 63.200 0.232 0.000 0.935 227 S HN 0.376 nan 8.310 nan 0.000 0.564 228 F N -0.318 119.208 119.950 -0.707 0.000 2.724 228 F HA 0.299 4.826 4.527 -0.001 0.000 0.306 228 F C -0.129 175.101 175.800 -0.950 0.000 1.100 228 F CA -0.911 56.521 58.000 -0.946 0.000 1.255 228 F CB 0.453 38.417 39.000 -1.726 0.000 1.072 228 F HN 0.512 nan 8.300 nan 0.000 0.589 229 W N 1.330 122.529 121.300 -0.169 0.000 2.417 229 W HA 0.540 5.199 4.660 -0.001 0.000 0.317 229 W C 0.664 176.701 176.519 -0.803 0.000 1.121 229 W CA -1.196 55.927 57.345 -0.370 0.000 1.208 229 W CB 0.385 29.777 29.460 -0.114 0.000 1.253 229 W HN -0.140 nan 8.180 nan 0.000 0.533 230 G N 1.893 110.461 108.800 -0.388 0.000 2.614 230 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.239 230 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.239 230 G C 1.044 175.787 174.900 -0.262 0.000 1.240 230 G CA -0.363 44.510 45.100 -0.379 0.000 0.842 230 G HN 0.713 nan 8.290 nan 0.000 0.584 231 E N 0.946 121.027 120.200 -0.198 0.000 2.265 231 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 231 E C 1.635 178.044 176.600 -0.318 0.000 0.996 231 E CA 1.401 57.620 56.400 -0.302 0.000 0.832 231 E CB -0.551 28.704 29.700 -0.742 0.000 0.756 231 E HN 0.710 nan 8.360 nan 0.000 0.491 232 N N 1.235 119.767 118.700 -0.281 0.000 2.289 232 N HA -0.173 4.567 4.740 -0.001 0.000 0.184 232 N C 1.504 176.866 175.510 -0.248 0.000 1.016 232 N CA 1.081 53.994 53.050 -0.230 0.000 0.872 232 N CB -0.142 38.235 38.487 -0.184 0.000 0.973 232 N HN 0.042 nan 8.380 nan 0.000 0.433 233 E N -0.095 119.896 120.200 -0.349 0.000 2.265 233 E HA -0.100 4.249 4.350 -0.001 0.000 0.196 233 E C 1.051 177.358 176.600 -0.488 0.000 0.996 233 E CA 1.567 57.607 56.400 -0.599 0.000 0.832 233 E CB -0.299 28.737 29.700 -1.106 0.000 0.756 233 E HN 0.784 nan 8.360 nan 0.000 0.491 234 T N -3.839 110.567 114.554 -0.248 0.000 3.129 234 T HA 0.443 4.793 4.350 -0.001 0.000 0.267 234 T C 1.272 176.002 174.700 0.051 0.000 1.018 234 T CA 0.359 62.438 62.100 -0.034 0.000 0.903 234 T CB 0.828 69.791 68.868 0.158 0.000 1.067 234 T HN 0.179 nan 8.240 nan 0.000 0.549 235 G N 0.915 109.691 108.800 -0.039 0.000 2.176 235 G HA2 0.008 3.967 3.960 -0.001 0.000 0.232 235 G HA3 0.008 3.967 3.960 -0.001 0.000 0.232 235 G C 0.314 175.219 174.900 0.008 0.000 0.986 235 G CA -0.208 44.898 45.100 0.011 0.000 0.643 235 G HN 1.089 nan 8.290 nan 0.000 0.522 236 A N -0.456 122.297 122.820 -0.111 0.000 2.257 236 A HA 0.706 5.026 4.320 -0.001 0.000 0.289 236 A C -0.118 177.323 177.584 -0.239 0.000 1.095 236 A CA 0.479 52.411 52.037 -0.175 0.000 0.836 236 A CB 1.023 19.794 19.000 -0.382 0.000 1.111 236 A HN 0.637 nan 8.150 nan 0.000 0.497 237 D N -1.142 119.145 120.400 -0.188 0.000 2.613 237 D HA 0.328 4.968 4.640 -0.001 0.000 0.230 237 D C -1.468 174.891 176.300 0.099 0.000 1.365 237 D CA -0.249 53.674 54.000 -0.128 0.000 0.976 237 D CB 0.492 41.272 40.800 -0.034 0.000 1.415 237 D HN 0.275 nan 8.370 nan 0.000 0.589 238 Y N 2.388 122.667 120.300 -0.036 0.000 2.571 238 Y HA 0.241 4.791 4.550 -0.001 0.000 0.275 238 Y C 1.252 177.164 175.900 0.020 0.000 1.179 238 Y CA -0.862 57.226 58.100 -0.020 0.000 1.242 238 Y CB -0.896 37.548 38.460 -0.026 0.000 1.126 238 Y HN 0.497 nan 8.280 nan 0.000 0.524 239 N N 1.259 120.024 118.700 0.108 0.000 2.714 239 N HA -0.215 4.525 4.740 -0.001 0.000 0.252 239 N C 1.172 176.642 175.510 -0.066 0.000 1.014 239 N CA 1.433 54.507 53.050 0.040 0.000 0.735 239 N CB -1.001 37.539 38.487 0.090 0.000 0.924 239 N HN 0.735 nan 8.380 nan 0.000 0.540 240 G N -1.992 106.724 108.800 -0.140 0.000 2.199 240 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 240 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 240 G C 0.058 174.695 174.900 -0.438 0.000 0.982 240 G CA 0.444 45.375 45.100 -0.282 0.000 0.632 240 G HN 0.710 nan 8.290 nan 0.000 0.529 241 H N -0.864 118.085 119.070 -0.201 0.000 2.508 241 H HA 0.599 5.154 4.556 -0.001 0.000 0.358 241 H C -0.577 174.544 175.328 -0.345 0.000 1.212 241 H CA 0.197 56.142 56.048 -0.171 0.000 1.356 241 H CB 0.865 30.595 29.762 -0.052 0.000 1.525 241 H HN 0.231 nan 8.280 nan 0.000 0.578 242 Y N -1.094 119.338 120.300 0.219 0.000 2.361 242 Y HA 0.199 4.748 4.550 -0.001 0.000 0.337 242 Y C 1.302 177.224 175.900 0.036 0.000 0.965 242 Y CA -0.551 57.628 58.100 0.131 0.000 1.091 242 Y CB 1.862 40.386 38.460 0.107 0.000 1.182 242 Y HN 0.833 nan 8.280 nan 0.000 0.450 243 G N 1.545 110.405 108.800 0.100 0.000 2.446 243 G HA2 0.048 4.007 3.960 -0.001 0.000 0.217 243 G HA3 0.048 4.007 3.960 -0.001 0.000 0.217 243 G C 1.544 176.402 174.900 -0.069 0.000 1.168 243 G CA 0.943 46.026 45.100 -0.029 0.000 0.771 243 G HN 1.375 nan 8.290 nan 0.000 0.551 244 G N -1.418 107.324 108.800 -0.096 0.000 2.205 244 G HA2 0.164 4.124 3.960 -0.001 0.000 0.261 244 G HA3 0.164 4.124 3.960 -0.001 0.000 0.261 244 G C 0.361 175.057 174.900 -0.341 0.000 0.980 244 G CA 1.113 46.112 45.100 -0.168 0.000 0.632 244 G HN 1.716 nan 8.290 nan 0.000 0.533 245 A N -0.291 122.238 122.820 -0.486 0.000 2.430 245 A HA 0.907 5.226 4.320 -0.001 0.000 0.300 245 A C -2.820 174.426 177.584 -0.564 0.000 1.124 245 A CA -1.421 50.143 52.037 -0.790 0.000 0.766 245 A CB 1.232 19.255 19.000 -1.629 0.000 1.328 245 A HN 0.070 nan 8.150 nan 0.000 0.424 246 P HA 0.143 nan 4.420 nan 0.000 0.265 246 P C -0.250 176.944 177.300 -0.176 0.000 1.193 246 P CA 0.399 63.197 63.100 -0.503 0.000 0.765 246 P CB 0.234 31.482 31.700 -0.754 0.000 0.823 247 M N 2.769 122.366 119.600 -0.004 0.000 2.531 247 M HA 0.259 4.739 4.480 -0.001 0.000 0.262 247 M C 1.836 178.236 176.300 0.166 0.000 1.168 247 M CA -0.825 54.537 55.300 0.103 0.000 0.926 247 M CB -0.037 32.671 32.600 0.180 0.000 1.445 247 M HN 0.325 nan 8.290 nan 0.000 0.531 248 I N 1.152 121.837 120.570 0.193 0.000 2.145 248 I HA -0.360 3.809 4.170 -0.001 0.000 0.244 248 I C 1.343 177.622 176.117 0.270 0.000 1.075 248 I CA 1.986 63.417 61.300 0.219 0.000 1.332 248 I CB 0.026 38.141 38.000 0.191 0.000 1.033 248 I HN 0.594 nan 8.210 nan 0.000 0.410 249 D N 0.552 121.156 120.400 0.340 0.000 2.224 249 D HA -0.141 4.499 4.640 -0.001 0.000 0.205 249 D C 1.774 178.238 176.300 0.273 0.000 0.965 249 D CA 0.866 55.054 54.000 0.313 0.000 0.852 249 D CB -0.356 40.672 40.800 0.379 0.000 0.947 249 D HN 0.447 nan 8.370 nan 0.000 0.494 250 D N 0.463 121.033 120.400 0.283 0.000 2.117 250 D HA -0.066 4.573 4.640 -0.001 0.000 0.198 250 D C 2.310 178.798 176.300 0.314 0.000 0.982 250 D CA 0.420 54.614 54.000 0.322 0.000 0.828 250 D CB -0.024 40.958 40.800 0.303 0.000 0.967 250 D HN 0.276 nan 8.370 nan 0.000 0.464 251 I N 1.418 122.120 120.570 0.219 0.000 2.179 251 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 251 I C 2.573 178.764 176.117 0.124 0.000 1.088 251 I CA 1.054 62.446 61.300 0.153 0.000 1.357 251 I CB -0.248 37.828 38.000 0.126 0.000 1.051 251 I HN -0.086 nan 8.210 nan 0.000 0.409 252 A N 0.737 123.648 122.820 0.152 0.000 1.902 252 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 252 A C 2.543 180.196 177.584 0.115 0.000 1.181 252 A CA 1.834 53.946 52.037 0.125 0.000 0.623 252 A CB -0.801 18.277 19.000 0.130 0.000 0.818 252 A HN 0.436 nan 8.150 nan 0.000 0.443 253 A N -0.304 122.606 122.820 0.149 0.000 1.858 253 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 253 A C 2.099 179.759 177.584 0.128 0.000 1.190 253 A CA 1.742 53.859 52.037 0.134 0.000 0.617 253 A CB -0.621 18.474 19.000 0.158 0.000 0.827 253 A HN 0.574 nan 8.150 nan 0.000 0.443 254 I N 0.006 120.688 120.570 0.187 0.000 2.394 254 I HA -0.233 3.936 4.170 -0.001 0.000 0.251 254 I C 2.385 178.614 176.117 0.187 0.000 1.136 254 I CA 1.574 62.999 61.300 0.208 0.000 1.425 254 I CB -0.303 37.889 38.000 0.320 0.000 1.079 254 I HN 0.429 nan 8.210 nan 0.000 0.425 255 Q N -0.435 119.431 119.800 0.110 0.000 2.230 255 Q HA -0.182 4.158 4.340 -0.001 0.000 0.202 255 Q C 2.289 178.332 176.000 0.073 0.000 0.963 255 Q CA 1.023 56.860 55.803 0.057 0.000 0.866 255 Q CB -0.253 28.461 28.738 -0.040 0.000 0.931 255 Q HN 0.485 nan 8.270 nan 0.000 0.452 256 R N 0.866 121.413 120.500 0.079 0.000 2.096 256 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 256 R C 1.920 178.290 176.300 0.116 0.000 1.127 256 R CA 1.040 57.201 56.100 0.101 0.000 0.968 256 R CB -0.035 30.327 30.300 0.104 0.000 0.861 256 R HN 0.228 nan 8.270 nan 0.000 0.440 257 L N -1.108 120.103 121.223 -0.020 0.000 2.102 257 L HA -0.063 4.277 4.340 -0.001 0.000 0.202 257 L C 1.347 177.934 176.870 -0.472 0.000 1.076 257 L CA 1.078 55.718 54.840 -0.333 0.000 0.761 257 L CB -0.139 41.562 42.059 -0.597 0.000 0.921 257 L HN 0.222 nan 8.230 nan 0.000 0.444 258 Y N -0.511 119.799 120.300 0.016 0.000 2.481 258 Y HA 0.449 4.998 4.550 -0.001 0.000 0.247 258 Y C 1.122 177.032 175.900 0.015 0.000 1.151 258 Y CA 0.057 58.162 58.100 0.008 0.000 1.238 258 Y CB 0.544 39.000 38.460 -0.006 0.000 1.179 258 Y HN 0.163 nan 8.280 nan 0.000 0.524 259 G N 0.984 109.863 108.800 0.132 0.000 2.712 259 G HA2 0.098 4.058 3.960 -0.001 0.000 0.686 259 G HA3 0.098 4.058 3.960 -0.001 0.000 0.686 259 G C -0.460 174.476 174.900 0.060 0.000 1.321 259 G CA -0.847 44.310 45.100 0.095 0.000 0.813 259 G HN 0.530 nan 8.290 nan 0.000 0.599 260 A N 0.780 123.622 122.820 0.036 0.000 2.340 260 A HA 0.661 4.981 4.320 -0.001 0.000 0.268 260 A C 0.632 178.268 177.584 0.086 0.000 1.100 260 A CA 0.063 52.073 52.037 -0.044 0.000 0.803 260 A CB 0.747 19.751 19.000 0.007 0.000 1.043 260 A HN 1.321 nan 8.150 nan 0.000 0.488 261 N N 2.492 121.244 118.700 0.086 0.000 2.469 261 N HA 0.171 4.911 4.740 -0.001 0.000 0.239 261 N C 0.242 176.029 175.510 0.461 0.000 1.053 261 N CA -0.360 52.830 53.050 0.233 0.000 0.937 261 N CB 0.527 39.135 38.487 0.201 0.000 1.163 261 N HN 0.476 nan 8.380 nan 0.000 0.509 262 M N 1.689 121.482 119.600 0.321 0.000 2.568 262 M HA 0.027 4.507 4.480 -0.001 0.000 0.226 262 M C 1.302 177.707 176.300 0.176 0.000 1.148 262 M CA 0.349 55.814 55.300 0.276 0.000 1.007 262 M CB -1.351 31.364 32.600 0.193 0.000 1.651 262 M HN 0.522 nan 8.290 nan 0.000 0.488 263 T N -3.498 111.165 114.554 0.182 0.000 3.069 263 T HA 0.132 4.482 4.350 -0.001 0.000 0.252 263 T C 0.608 175.384 174.700 0.126 0.000 1.053 263 T CA -0.113 62.060 62.100 0.122 0.000 0.964 263 T CB -0.170 68.760 68.868 0.102 0.000 1.005 263 T HN 0.127 nan 8.240 nan 0.000 0.532 264 T N 3.583 118.250 114.554 0.189 0.000 2.749 264 T HA 0.403 4.752 4.350 -0.001 0.000 0.295 264 T C 0.131 174.874 174.700 0.072 0.000 0.936 264 T CA -0.571 61.639 62.100 0.183 0.000 1.060 264 T CB 0.461 69.546 68.868 0.363 0.000 0.904 264 T HN 0.376 nan 8.240 nan 0.000 0.500 265 R N 1.338 121.867 120.500 0.049 0.000 3.188 265 R HA -0.175 4.165 4.340 -0.001 0.000 0.247 265 R C 1.238 177.513 176.300 -0.042 0.000 0.918 265 R CA 0.743 56.837 56.100 -0.010 0.000 0.629 265 R CB -2.045 28.249 30.300 -0.010 0.000 1.087 265 R HN 0.921 nan 8.270 nan 0.000 0.462 266 T N -3.515 111.023 114.554 -0.028 0.000 3.113 266 T HA 0.108 4.457 4.350 -0.001 0.000 0.256 266 T C 1.233 175.906 174.700 -0.045 0.000 1.131 266 T CA 0.410 62.486 62.100 -0.040 0.000 1.074 266 T CB 0.519 69.377 68.868 -0.017 0.000 0.944 266 T HN 0.484 nan 8.240 nan 0.000 0.516 267 G N 0.512 109.283 108.800 -0.048 0.000 2.531 267 G HA2 0.451 4.410 3.960 -0.001 0.000 0.281 267 G HA3 0.451 4.410 3.960 -0.001 0.000 0.281 267 G C -1.127 173.734 174.900 -0.066 0.000 1.382 267 G CA -0.773 44.296 45.100 -0.052 0.000 1.045 267 G HN 0.200 nan 8.290 nan 0.000 0.533 268 D N 0.507 120.867 120.400 -0.067 0.000 2.344 268 D HA 0.407 5.047 4.640 -0.001 0.000 0.253 268 D C -0.027 176.209 176.300 -0.107 0.000 1.255 268 D CA 0.401 54.357 54.000 -0.073 0.000 0.894 268 D CB 0.862 41.625 40.800 -0.063 0.000 1.067 268 D HN 0.101 nan 8.370 nan 0.000 0.492 269 S N 0.951 116.577 115.700 -0.124 0.000 2.489 269 S HA 0.561 5.030 4.470 -0.001 0.000 0.291 269 S C -0.052 174.368 174.600 -0.300 0.000 1.151 269 S CA -0.863 57.181 58.200 -0.260 0.000 1.082 269 S CB 1.786 64.794 63.200 -0.320 0.000 1.019 269 S HN 0.128 nan 8.310 nan 0.000 0.492 270 V N 3.525 123.184 119.914 -0.425 0.000 2.448 270 V HA 0.427 4.546 4.120 -0.001 0.000 0.295 270 V C -1.384 174.418 176.094 -0.486 0.000 1.025 270 V CA -0.680 61.447 62.300 -0.289 0.000 0.859 270 V CB 0.629 32.358 31.823 -0.156 0.000 0.988 270 V HN 0.823 nan 8.190 nan 0.000 0.431 271 Y N 2.767 123.033 120.300 -0.056 0.000 2.377 271 Y HA 0.818 5.368 4.550 -0.001 0.000 0.339 271 Y C 0.963 176.879 175.900 0.026 0.000 1.011 271 Y CA 0.698 58.735 58.100 -0.105 0.000 1.093 271 Y CB 1.974 40.342 38.460 -0.154 0.000 1.201 271 Y HN 0.957 nan 8.280 nan 0.000 0.455 272 G N 1.555 110.473 108.800 0.198 0.000 2.709 272 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.228 272 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.228 272 G C -0.828 174.045 174.900 -0.045 0.000 1.215 272 G CA -0.897 44.346 45.100 0.238 0.000 1.003 272 G HN 0.396 nan 8.290 nan 0.000 0.584 273 F N 2.700 122.698 119.950 0.080 0.000 2.410 273 F HA 0.455 4.982 4.527 -0.001 0.000 0.334 273 F C 1.616 177.396 175.800 -0.034 0.000 1.134 273 F CA 0.727 58.719 58.000 -0.013 0.000 1.227 273 F CB 0.555 39.521 39.000 -0.057 0.000 1.194 273 F HN 0.529 nan 8.300 nan 0.000 0.571 274 N N 0.121 118.896 118.700 0.126 0.000 2.708 274 N HA -0.230 4.510 4.740 -0.001 0.000 0.249 274 N C -0.157 175.335 175.510 -0.030 0.000 1.097 274 N CA 0.708 53.780 53.050 0.036 0.000 0.710 274 N CB -1.261 37.247 38.487 0.036 0.000 1.032 274 N HN 0.471 nan 8.380 nan 0.000 0.551 275 S N 0.873 116.536 115.700 -0.062 0.000 2.572 275 S HA 0.211 4.681 4.470 -0.001 0.000 0.279 275 S C 1.176 175.685 174.600 -0.152 0.000 1.341 275 S CA -0.148 57.968 58.200 -0.140 0.000 1.043 275 S CB 0.506 63.610 63.200 -0.159 0.000 0.887 275 S HN 0.459 nan 8.310 nan 0.000 0.516 276 N N 1.456 120.030 118.700 -0.211 0.000 2.282 276 N HA 0.045 4.785 4.740 -0.001 0.000 0.240 276 N C 0.782 176.171 175.510 -0.202 0.000 1.182 276 N CA 0.231 53.177 53.050 -0.173 0.000 0.874 276 N CB -0.223 38.173 38.487 -0.152 0.000 1.126 276 N HN 0.578 nan 8.380 nan 0.000 0.516 277 T N -3.801 110.603 114.554 -0.250 0.000 3.043 277 T HA -0.024 4.325 4.350 -0.001 0.000 0.263 277 T C 0.486 175.108 174.700 -0.131 0.000 1.094 277 T CA 0.650 62.614 62.100 -0.225 0.000 1.127 277 T CB -0.400 68.310 68.868 -0.263 0.000 0.905 277 T HN 0.185 nan 8.240 nan 0.000 0.490 278 D N 0.897 121.221 120.400 -0.127 0.000 2.772 278 D HA -0.148 4.492 4.640 -0.001 0.000 0.233 278 D C -0.867 175.356 176.300 -0.128 0.000 1.143 278 D CA 0.420 54.360 54.000 -0.100 0.000 0.700 278 D CB -0.801 39.961 40.800 -0.064 0.000 1.076 278 D HN 0.380 nan 8.370 nan 0.000 0.430 279 R N 0.366 120.739 120.500 -0.211 0.000 2.483 279 R HA 0.210 4.550 4.340 -0.001 0.000 0.303 279 R C 0.972 177.000 176.300 -0.453 0.000 0.987 279 R CA -0.127 55.718 56.100 -0.425 0.000 0.881 279 R CB 1.426 31.283 30.300 -0.738 0.000 1.177 279 R HN 0.134 nan 8.270 nan 0.000 0.451 280 D N 2.880 123.100 120.400 -0.299 0.000 2.133 280 D HA -0.231 4.409 4.640 -0.001 0.000 0.195 280 D C 1.383 177.590 176.300 -0.156 0.000 0.997 280 D CA 1.521 55.424 54.000 -0.161 0.000 0.840 280 D CB -0.415 40.360 40.800 -0.041 0.000 0.947 280 D HN 0.584 nan 8.370 nan 0.000 0.452 281 F N -1.489 118.367 119.950 -0.157 0.000 2.699 281 F HA 0.151 4.677 4.527 -0.001 0.000 0.298 281 F C 1.490 177.197 175.800 -0.155 0.000 1.154 281 F CA -0.039 57.855 58.000 -0.178 0.000 1.457 281 F CB -0.968 37.875 39.000 -0.261 0.000 1.106 281 F HN -0.067 nan 8.300 nan 0.000 0.585 282 Y N 0.196 120.260 120.300 -0.393 0.000 2.467 282 Y HA 0.280 4.829 4.550 -0.001 0.000 0.250 282 Y C 0.300 176.060 175.900 -0.234 0.000 1.155 282 Y CA -0.574 57.270 58.100 -0.427 0.000 1.249 282 Y CB 0.520 38.701 38.460 -0.465 0.000 1.146 282 Y HN -0.121 nan 8.280 nan 0.000 0.524 283 T N 1.132 115.651 114.554 -0.059 0.000 2.823 283 T HA 0.681 5.030 4.350 -0.001 0.000 0.279 283 T C -0.469 174.147 174.700 -0.140 0.000 0.998 283 T CA -0.644 61.396 62.100 -0.099 0.000 0.994 283 T CB 1.640 70.435 68.868 -0.120 0.000 0.960 283 T HN 0.131 nan 8.240 nan 0.000 0.448 284 A N 1.994 124.643 122.820 -0.284 0.000 2.310 284 A HA 0.562 4.882 4.320 -0.001 0.000 0.304 284 A C 1.264 178.597 177.584 -0.419 0.000 1.231 284 A CA -0.699 51.043 52.037 -0.492 0.000 0.799 284 A CB 0.464 18.804 19.000 -1.101 0.000 1.162 284 A HN 0.899 nan 8.150 nan 0.000 0.486 285 T N -0.967 113.477 114.554 -0.183 0.000 2.985 285 T HA 0.172 4.521 4.350 -0.001 0.000 0.266 285 T C 0.375 175.110 174.700 0.059 0.000 1.076 285 T CA 1.347 63.417 62.100 -0.049 0.000 1.135 285 T CB -0.525 68.328 68.868 -0.026 0.000 0.890 285 T HN 0.811 nan 8.240 nan 0.000 0.480 286 D N -0.486 119.965 120.400 0.084 0.000 2.692 286 D HA 0.317 4.956 4.640 -0.001 0.000 0.290 286 D C 0.977 177.467 176.300 0.318 0.000 1.281 286 D CA -0.148 54.002 54.000 0.249 0.000 0.804 286 D CB 0.735 41.610 40.800 0.124 0.000 1.331 286 D HN -0.027 nan 8.370 nan 0.000 0.432 287 S N -0.472 115.408 115.700 0.301 0.000 2.440 287 S HA -0.224 4.246 4.470 -0.001 0.000 0.240 287 S C 1.583 176.363 174.600 0.299 0.000 1.014 287 S CA 1.437 59.813 58.200 0.293 0.000 0.980 287 S CB -0.943 62.351 63.200 0.156 0.000 0.775 287 S HN 0.741 nan 8.310 nan 0.000 0.499 288 S N 0.234 116.048 115.700 0.189 0.000 2.603 288 S HA 0.247 4.716 4.470 -0.001 0.000 0.220 288 S C 0.359 175.033 174.600 0.124 0.000 0.967 288 S CA -0.436 57.852 58.200 0.147 0.000 0.920 288 S CB -0.178 63.082 63.200 0.100 0.000 0.773 288 S HN 0.213 nan 8.310 nan 0.000 0.529 289 K N 2.401 122.874 120.400 0.121 0.000 2.211 289 K HA 0.648 4.967 4.320 -0.001 0.000 0.275 289 K C -0.201 176.414 176.600 0.026 0.000 1.024 289 K CA -0.162 56.141 56.287 0.027 0.000 0.887 289 K CB 1.441 33.914 32.500 -0.045 0.000 1.084 289 K HN 0.290 nan 8.250 nan 0.000 0.463 290 A N 4.066 126.792 122.820 -0.157 0.000 2.316 290 A HA 0.577 4.896 4.320 -0.001 0.000 0.284 290 A C -0.359 177.106 177.584 -0.198 0.000 1.115 290 A CA -0.558 51.321 52.037 -0.264 0.000 0.812 290 A CB 0.339 18.926 19.000 -0.688 0.000 1.064 290 A HN 0.667 nan 8.150 nan 0.000 0.489 291 L N 2.317 123.434 121.223 -0.177 0.000 2.333 291 L HA 0.573 4.913 4.340 -0.001 0.000 0.280 291 L C -0.962 175.741 176.870 -0.279 0.000 1.004 291 L CA -0.125 54.652 54.840 -0.106 0.000 0.820 291 L CB 1.528 43.572 42.059 -0.025 0.000 1.247 291 L HN 0.595 nan 8.230 nan 0.000 0.416 292 I N 4.931 125.392 120.570 -0.182 0.000 2.531 292 I HA 0.446 4.615 4.170 -0.001 0.000 0.283 292 I C -1.066 175.014 176.117 -0.062 0.000 1.083 292 I CA -0.413 60.668 61.300 -0.365 0.000 1.071 292 I CB 1.325 39.043 38.000 -0.469 0.000 1.210 292 I HN 0.429 nan 8.210 nan 0.000 0.450 293 F N 3.138 123.028 119.950 -0.100 0.000 2.770 293 F HA 0.669 5.196 4.527 -0.001 0.000 0.313 293 F C -1.241 174.592 175.800 0.055 0.000 1.154 293 F CA -1.135 56.878 58.000 0.021 0.000 0.923 293 F CB 1.503 40.642 39.000 0.233 0.000 1.301 293 F HN 0.146 nan 8.300 nan 0.000 0.449 294 S N 1.784 117.756 115.700 0.454 0.000 2.596 294 S HA 0.623 5.093 4.470 -0.001 0.000 0.318 294 S C -1.521 173.411 174.600 0.553 0.000 1.097 294 S CA -0.614 57.788 58.200 0.336 0.000 1.080 294 S CB 1.147 64.446 63.200 0.166 0.000 0.991 294 S HN 1.126 nan 8.310 nan 0.000 0.471 295 V N 7.792 128.024 119.914 0.530 0.000 2.498 295 V HA 0.517 4.636 4.120 -0.001 0.000 0.279 295 V C -0.569 175.694 176.094 0.281 0.000 1.048 295 V CA -0.556 61.929 62.300 0.308 0.000 0.967 295 V CB 0.876 32.593 31.823 -0.177 0.000 0.988 295 V HN 0.913 nan 8.190 nan 0.000 0.473 296 W N 7.733 129.124 121.300 0.152 0.000 2.529 296 W HA 0.564 5.223 4.660 -0.001 0.000 0.321 296 W C -1.403 175.171 176.519 0.090 0.000 1.047 296 W CA -0.673 56.751 57.345 0.132 0.000 1.216 296 W CB 1.695 31.271 29.460 0.194 0.000 1.357 296 W HN 0.664 nan 8.180 nan 0.000 0.489 297 D N 3.762 123.641 120.400 -0.869 0.000 2.977 297 D HA 0.364 5.003 4.640 -0.001 0.000 0.220 297 D C -0.542 175.262 176.300 -0.826 0.000 1.267 297 D CA -0.232 53.407 54.000 -0.601 0.000 0.884 297 D CB 2.380 43.018 40.800 -0.270 0.000 1.667 297 D HN 0.436 nan 8.370 nan 0.000 0.536 298 A N 1.978 124.476 122.820 -0.537 0.000 2.423 298 A HA 0.649 4.968 4.320 -0.001 0.000 0.246 298 A C 0.758 178.229 177.584 -0.188 0.000 1.278 298 A CA 0.637 52.453 52.037 -0.369 0.000 0.903 298 A CB 0.091 19.013 19.000 -0.131 0.000 0.997 298 A HN 0.693 nan 8.150 nan 0.000 0.510 299 G N -2.876 105.821 108.800 -0.170 0.000 2.328 299 G HA2 0.599 4.558 3.960 -0.001 0.000 0.299 299 G HA3 0.599 4.558 3.960 -0.001 0.000 0.299 299 G C 0.001 174.848 174.900 -0.088 0.000 1.435 299 G CA 0.232 45.268 45.100 -0.107 0.000 0.865 299 G HN 2.033 nan 8.290 nan 0.000 0.601 300 G N -1.514 107.244 108.800 -0.070 0.000 2.710 300 G HA2 0.369 4.329 3.960 -0.001 0.000 0.668 300 G HA3 0.369 4.329 3.960 -0.001 0.000 0.668 300 G C -0.255 174.608 174.900 -0.063 0.000 1.320 300 G CA 0.180 45.243 45.100 -0.061 0.000 0.860 300 G HN 1.635 nan 8.290 nan 0.000 0.538 301 T N 2.428 116.949 114.554 -0.055 0.000 2.743 301 T HA 0.571 4.921 4.350 -0.001 0.000 0.292 301 T C -0.509 174.160 174.700 -0.052 0.000 0.972 301 T CA -0.356 61.712 62.100 -0.054 0.000 0.967 301 T CB 0.911 69.752 68.868 -0.043 0.000 0.926 301 T HN 0.542 nan 8.240 nan 0.000 0.459 302 D N 2.345 122.713 120.400 -0.054 0.000 2.269 302 D HA 0.550 5.189 4.640 -0.001 0.000 0.244 302 D C -0.344 175.938 176.300 -0.029 0.000 0.992 302 D CA -0.447 53.539 54.000 -0.022 0.000 0.894 302 D CB 2.022 42.838 40.800 0.028 0.000 1.248 302 D HN 0.309 nan 8.370 nan 0.000 0.468 303 T N 0.629 115.203 114.554 0.033 0.000 2.886 303 T HA 0.344 4.694 4.350 -0.001 0.000 0.292 303 T C -0.405 174.411 174.700 0.194 0.000 1.012 303 T CA -0.554 61.568 62.100 0.036 0.000 0.982 303 T CB 0.978 69.846 68.868 0.001 0.000 1.018 303 T HN 0.177 nan 8.240 nan 0.000 0.451 304 F N 2.695 122.556 119.950 -0.148 0.000 2.335 304 F HA 0.212 4.739 4.527 -0.001 0.000 0.365 304 F C 0.559 175.973 175.800 -0.645 0.000 1.122 304 F CA -0.889 56.830 58.000 -0.469 0.000 1.151 304 F CB 0.672 39.337 39.000 -0.559 0.000 1.282 304 F HN 0.454 nan 8.300 nan 0.000 0.513 305 D N 5.315 125.548 120.400 -0.279 0.000 2.456 305 D HA 0.128 4.768 4.640 -0.001 0.000 0.219 305 D C -0.452 175.923 176.300 0.124 0.000 1.126 305 D CA -0.236 53.717 54.000 -0.079 0.000 0.890 305 D CB 0.302 41.137 40.800 0.059 0.000 1.025 305 D HN 0.211 nan 8.370 nan 0.000 0.511 306 F N 1.506 121.641 119.950 0.308 0.000 2.908 306 F HA 0.105 4.632 4.527 -0.001 0.000 0.328 306 F C 2.109 178.008 175.800 0.165 0.000 1.211 306 F CA -0.660 57.572 58.000 0.386 0.000 1.291 306 F CB -0.235 39.006 39.000 0.401 0.000 0.962 306 F HN 0.254 nan 8.300 nan 0.000 0.505 307 S N -1.093 114.660 115.700 0.087 0.000 2.453 307 S HA -0.027 4.443 4.470 -0.001 0.000 0.231 307 S C 2.117 176.432 174.600 -0.474 0.000 1.005 307 S CA 0.942 59.053 58.200 -0.148 0.000 0.949 307 S CB -0.469 62.645 63.200 -0.143 0.000 0.774 307 S HN 0.387 nan 8.310 nan 0.000 0.510 308 G N -0.408 107.612 108.800 -1.299 0.000 2.920 308 G HA2 0.213 4.172 3.960 -0.001 0.000 0.208 308 G HA3 0.213 4.172 3.960 -0.001 0.000 0.208 308 G C 0.011 174.517 174.900 -0.657 0.000 1.159 308 G CA -0.305 43.913 45.100 -1.470 0.000 0.784 308 G HN 0.570 nan 8.290 nan 0.000 0.535 309 Y N 0.168 120.382 120.300 -0.143 0.000 2.376 309 Y HA 0.328 4.877 4.550 -0.001 0.000 0.325 309 Y C 1.548 177.443 175.900 -0.008 0.000 1.199 309 Y CA -0.484 57.631 58.100 0.024 0.000 1.206 309 Y CB 1.998 40.524 38.460 0.111 0.000 1.229 309 Y HN 0.087 nan 8.280 nan 0.000 0.480 310 S N -0.994 114.821 115.700 0.191 0.000 2.512 310 S HA 0.123 4.593 4.470 -0.001 0.000 0.216 310 S C 0.021 174.660 174.600 0.065 0.000 1.006 310 S CA -0.530 57.724 58.200 0.090 0.000 0.915 310 S CB -0.170 63.066 63.200 0.060 0.000 0.824 310 S HN 0.608 nan 8.310 nan 0.000 0.497 311 N N 3.214 121.953 118.700 0.065 0.000 2.444 311 N HA 0.140 4.880 4.740 -0.001 0.000 0.255 311 N C -0.924 174.584 175.510 -0.003 0.000 1.255 311 N CA -0.088 52.962 53.050 0.000 0.000 0.933 311 N CB 0.174 38.621 38.487 -0.067 0.000 1.143 311 N HN 0.237 nan 8.380 nan 0.000 0.453 312 N N 1.874 120.556 118.700 -0.029 0.000 2.470 312 N HA 0.070 4.810 4.740 -0.001 0.000 0.268 312 N C -0.161 175.309 175.510 -0.067 0.000 1.136 312 N CA 0.225 53.251 53.050 -0.040 0.000 0.961 312 N CB 0.835 39.289 38.487 -0.056 0.000 1.067 312 N HN 0.431 nan 8.380 nan 0.000 0.468 313 Q N 1.552 121.321 119.800 -0.051 0.000 2.351 313 Q HA 0.564 4.903 4.340 -0.001 0.000 0.273 313 Q C -0.406 175.513 176.000 -0.136 0.000 1.077 313 Q CA -0.812 54.949 55.803 -0.070 0.000 0.843 313 Q CB 2.519 31.272 28.738 0.024 0.000 1.367 313 Q HN 0.275 nan 8.270 nan 0.000 0.449 314 R N 1.362 121.735 120.500 -0.211 0.000 2.435 314 R HA 0.521 4.860 4.340 -0.001 0.000 0.308 314 R C -1.037 175.233 176.300 -0.050 0.000 0.975 314 R CA -0.353 55.440 56.100 -0.511 0.000 0.867 314 R CB 1.080 30.639 30.300 -1.234 0.000 1.171 314 R HN 0.532 nan 8.270 nan 0.000 0.470 315 I N 2.324 123.031 120.570 0.228 0.000 2.389 315 I HA 0.273 4.442 4.170 -0.001 0.000 0.288 315 I C -0.371 176.136 176.117 0.650 0.000 0.999 315 I CA -0.836 60.782 61.300 0.531 0.000 1.129 315 I CB 1.743 40.051 38.000 0.513 0.000 1.288 315 I HN 0.365 nan 8.210 nan 0.000 0.444 316 N N 6.600 125.656 118.700 0.594 0.000 2.372 316 N HA 0.415 5.154 4.740 -0.001 0.000 0.285 316 N C -0.046 175.594 175.510 0.217 0.000 1.008 316 N CA -0.477 52.759 53.050 0.310 0.000 0.880 316 N CB 2.039 40.504 38.487 -0.037 0.000 1.239 316 N HN 0.597 nan 8.380 nan 0.000 0.484 317 L N 1.493 122.785 121.223 0.115 0.000 2.592 317 L HA 0.224 4.564 4.340 -0.001 0.000 0.227 317 L C 0.474 177.325 176.870 -0.031 0.000 1.127 317 L CA -0.053 54.773 54.840 -0.024 0.000 0.884 317 L CB -0.227 41.788 42.059 -0.073 0.000 1.065 317 L HN 0.386 nan 8.230 nan 0.000 0.457 318 N N 2.240 120.948 118.700 0.013 0.000 2.513 318 N HA 0.021 4.760 4.740 -0.001 0.000 0.268 318 N C 0.002 175.518 175.510 0.010 0.000 1.180 318 N CA 0.067 53.123 53.050 0.009 0.000 0.948 318 N CB 0.862 39.360 38.487 0.019 0.000 1.083 318 N HN 0.319 nan 8.380 nan 0.000 0.455 319 E N 0.184 120.388 120.200 0.006 0.000 2.413 319 E HA 0.215 4.565 4.350 -0.001 0.000 0.263 319 E C 0.890 177.535 176.600 0.074 0.000 1.015 319 E CA -0.114 56.299 56.400 0.022 0.000 0.916 319 E CB 0.262 29.959 29.700 -0.005 0.000 0.947 319 E HN 0.714 nan 8.360 nan 0.000 0.440 320 G N 2.394 111.247 108.800 0.088 0.000 2.184 320 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.264 320 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.264 320 G C 0.302 175.245 174.900 0.072 0.000 0.975 320 G CA 0.469 45.639 45.100 0.116 0.000 0.642 320 G HN 1.098 nan 8.290 nan 0.000 0.536 321 S N -0.490 115.228 115.700 0.030 0.000 2.646 321 S HA 0.811 5.281 4.470 -0.001 0.000 0.276 321 S C -0.271 174.301 174.600 -0.047 0.000 1.222 321 S CA -0.735 57.501 58.200 0.059 0.000 1.014 321 S CB 1.687 64.906 63.200 0.033 0.000 0.991 321 S HN 0.404 nan 8.310 nan 0.000 0.533 322 F N 0.654 120.673 119.950 0.116 0.000 2.458 322 F HA 0.629 5.155 4.527 -0.001 0.000 0.330 322 F C 0.743 176.770 175.800 0.378 0.000 1.082 322 F CA -0.318 57.778 58.000 0.161 0.000 0.995 322 F CB 2.351 41.360 39.000 0.015 0.000 1.170 322 F HN 0.635 nan 8.300 nan 0.000 0.478 323 S N 0.570 116.581 115.700 0.519 0.000 2.599 323 S HA 0.439 4.908 4.470 -0.001 0.000 0.294 323 S C -1.677 173.144 174.600 0.367 0.000 1.094 323 S CA -0.944 57.581 58.200 0.540 0.000 0.931 323 S CB 1.683 65.119 63.200 0.393 0.000 1.093 323 S HN 0.373 nan 8.310 nan 0.000 0.488 324 D N 2.079 122.618 120.400 0.231 0.000 2.454 324 D HA 0.440 5.080 4.640 -0.001 0.000 0.225 324 D C -0.929 175.313 176.300 -0.097 0.000 1.081 324 D CA -0.048 53.991 54.000 0.065 0.000 0.864 324 D CB 1.394 42.193 40.800 -0.001 0.000 1.040 324 D HN 0.110 nan 8.370 nan 0.000 0.517 325 V N 0.521 120.295 119.914 -0.232 0.000 2.555 325 V HA 0.576 4.696 4.120 -0.001 0.000 0.302 325 V C 1.167 176.909 176.094 -0.586 0.000 1.038 325 V CA -0.748 61.286 62.300 -0.442 0.000 0.887 325 V CB 1.752 33.100 31.823 -0.791 0.000 0.991 325 V HN 0.789 nan 8.190 nan 0.000 0.434 326 G N 3.114 111.390 108.800 -0.873 0.000 2.341 326 G HA2 0.054 4.013 3.960 -0.001 0.000 0.292 326 G HA3 0.054 4.013 3.960 -0.001 0.000 0.292 326 G C 1.197 175.713 174.900 -0.641 0.000 1.021 326 G CA 0.920 45.134 45.100 -1.478 0.000 0.905 326 G HN 2.343 nan 8.290 nan 0.000 0.508 327 G N -2.804 105.786 108.800 -0.350 0.000 2.199 327 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.254 327 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.254 327 G C 0.392 175.219 174.900 -0.123 0.000 0.982 327 G CA 0.848 45.838 45.100 -0.182 0.000 0.632 327 G HN 1.267 nan 8.290 nan 0.000 0.529 328 L N 0.035 121.168 121.223 -0.150 0.000 2.416 328 L HA 0.734 5.074 4.340 -0.001 0.000 0.263 328 L C 0.645 177.525 176.870 0.017 0.000 1.065 328 L CA -0.445 54.373 54.840 -0.037 0.000 0.798 328 L CB 0.958 42.990 42.059 -0.045 0.000 1.267 328 L HN 0.096 nan 8.230 nan 0.000 0.467 329 K N -0.078 120.397 120.400 0.124 0.000 2.345 329 K HA 0.532 4.851 4.320 -0.001 0.000 0.255 329 K C 0.237 177.002 176.600 0.275 0.000 0.934 329 K CA -0.254 56.145 56.287 0.186 0.000 0.801 329 K CB 1.604 34.201 32.500 0.161 0.000 1.137 329 K HN 0.745 nan 8.250 nan 0.000 0.424 330 G N 2.620 111.626 108.800 0.344 0.000 2.283 330 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.280 330 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.280 330 G C 0.445 175.569 174.900 0.373 0.000 1.029 330 G CA 0.778 46.051 45.100 0.288 0.000 0.840 330 G HN 0.848 nan 8.290 nan 0.000 0.505 331 N N -1.147 117.670 118.700 0.195 0.000 2.422 331 N HA 0.114 4.853 4.740 -0.001 0.000 0.181 331 N C 0.393 175.683 175.510 -0.367 0.000 1.080 331 N CA 0.736 53.664 53.050 -0.203 0.000 0.893 331 N CB 0.590 38.832 38.487 -0.409 0.000 0.973 331 N HN 0.395 nan 8.380 nan 0.000 0.456 332 V N 1.094 120.844 119.914 -0.275 0.000 2.656 332 V HA 0.549 4.668 4.120 -0.001 0.000 0.307 332 V C -0.438 175.479 176.094 -0.295 0.000 1.051 332 V CA -0.689 61.291 62.300 -0.533 0.000 0.893 332 V CB 1.798 33.181 31.823 -0.733 0.000 0.999 332 V HN 0.477 nan 8.190 nan 0.000 0.426 333 S N 4.762 120.260 115.700 -0.336 0.000 2.618 333 S HA 0.796 5.266 4.470 -0.001 0.000 0.277 333 S C -1.169 173.405 174.600 -0.042 0.000 1.138 333 S CA -0.823 57.117 58.200 -0.433 0.000 0.844 333 S CB 2.024 64.548 63.200 -1.127 0.000 1.127 333 S HN 0.457 nan 8.310 nan 0.000 0.474 334 I N 1.769 122.324 120.570 -0.024 0.000 2.389 334 I HA 0.576 4.746 4.170 -0.001 0.000 0.288 334 I C 0.647 176.817 176.117 0.087 0.000 0.999 334 I CA -0.896 60.462 61.300 0.096 0.000 1.129 334 I CB 1.592 39.632 38.000 0.066 0.000 1.288 334 I HN 0.972 nan 8.210 nan 0.000 0.444 335 A N 5.856 128.783 122.820 0.178 0.000 2.448 335 A HA 0.060 4.379 4.320 -0.001 0.000 0.239 335 A C 0.148 177.891 177.584 0.265 0.000 1.080 335 A CA -0.025 52.171 52.037 0.264 0.000 0.779 335 A CB 0.063 19.320 19.000 0.429 0.000 1.026 335 A HN 0.822 nan 8.150 nan 0.000 0.499 336 H N 0.133 119.332 119.070 0.215 0.000 2.848 336 H HA 0.302 4.858 4.556 -0.001 0.000 0.341 336 H C 1.272 176.759 175.328 0.265 0.000 1.060 336 H CA 1.555 57.716 56.048 0.188 0.000 1.444 336 H CB 0.475 30.332 29.762 0.158 0.000 1.446 336 H HN 1.359 nan 8.280 nan 0.000 0.583 337 G N 3.730 112.289 108.800 -0.402 0.000 2.141 337 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.231 337 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.231 337 G C -0.457 174.382 174.900 -0.101 0.000 0.984 337 G CA 0.183 45.179 45.100 -0.173 0.000 0.660 337 G HN 0.616 nan 8.290 nan 0.000 0.525 338 V N 0.608 120.451 119.914 -0.118 0.000 2.604 338 V HA 0.765 4.884 4.120 -0.001 0.000 0.305 338 V C 0.115 176.112 176.094 -0.162 0.000 1.043 338 V CA -0.291 61.890 62.300 -0.199 0.000 0.888 338 V CB 2.091 33.811 31.823 -0.172 0.000 0.995 338 V HN 0.253 nan 8.190 nan 0.000 0.429 339 T N 5.903 120.347 114.554 -0.182 0.000 2.809 339 T HA 0.558 4.908 4.350 -0.001 0.000 0.296 339 T C -0.483 174.108 174.700 -0.181 0.000 1.015 339 T CA -0.253 61.756 62.100 -0.153 0.000 0.954 339 T CB 0.572 69.368 68.868 -0.120 0.000 0.950 339 T HN 0.273 nan 8.240 nan 0.000 0.450 340 I N 3.450 123.885 120.570 -0.224 0.000 2.359 340 I HA 0.377 4.547 4.170 -0.001 0.000 0.294 340 I C 0.891 176.870 176.117 -0.231 0.000 0.987 340 I CA -0.626 60.493 61.300 -0.302 0.000 1.225 340 I CB 1.746 39.382 38.000 -0.608 0.000 1.366 340 I HN 0.623 nan 8.210 nan 0.000 0.466 341 E N 3.305 123.402 120.200 -0.172 0.000 2.201 341 E HA 0.092 4.441 4.350 -0.001 0.000 0.193 341 E C -0.194 176.358 176.600 -0.081 0.000 0.957 341 E CA 0.734 57.070 56.400 -0.107 0.000 0.858 341 E CB 0.300 29.957 29.700 -0.072 0.000 0.816 341 E HN 0.528 nan 8.360 nan 0.000 0.475 342 N N -0.246 118.402 118.700 -0.088 0.000 2.328 342 N HA 0.686 5.425 4.740 -0.001 0.000 0.299 342 N C -1.166 174.323 175.510 -0.034 0.000 1.179 342 N CA -0.584 52.445 53.050 -0.035 0.000 0.793 342 N CB 2.090 40.570 38.487 -0.012 0.000 1.366 342 N HN 0.036 nan 8.380 nan 0.000 0.493 343 A N 0.597 123.435 122.820 0.029 0.000 2.520 343 A HA 0.749 5.068 4.320 -0.001 0.000 0.298 343 A C -1.300 176.331 177.584 0.079 0.000 1.051 343 A CA -0.580 51.498 52.037 0.067 0.000 0.690 343 A CB 1.011 20.095 19.000 0.140 0.000 1.281 343 A HN 0.570 nan 8.150 nan 0.000 0.402 344 I N 2.185 122.791 120.570 0.060 0.000 2.468 344 I HA 0.499 4.668 4.170 -0.001 0.000 0.285 344 I C 0.857 177.059 176.117 0.143 0.000 1.039 344 I CA -0.588 60.758 61.300 0.077 0.000 1.074 344 I CB 2.037 40.055 38.000 0.029 0.000 1.228 344 I HN 0.800 nan 8.210 nan 0.000 0.436 345 G N 3.521 112.414 108.800 0.155 0.000 2.563 345 G HA2 0.621 4.580 3.960 -0.001 0.000 0.283 345 G HA3 0.621 4.580 3.960 -0.001 0.000 0.283 345 G C 0.197 175.183 174.900 0.144 0.000 1.309 345 G CA -0.093 45.121 45.100 0.191 0.000 1.022 345 G HN 0.698 nan 8.290 nan 0.000 0.501 346 G N -1.558 107.329 108.800 0.145 0.000 2.890 346 G HA2 0.398 4.357 3.960 -0.001 0.000 0.189 346 G HA3 0.398 4.357 3.960 -0.001 0.000 0.189 346 G C 1.251 176.179 174.900 0.047 0.000 1.342 346 G CA 0.784 45.935 45.100 0.085 0.000 1.026 346 G HN 1.109 nan 8.290 nan 0.000 0.579 347 S N -1.024 114.695 115.700 0.031 0.000 2.593 347 S HA 0.280 4.750 4.470 -0.001 0.000 0.217 347 S C 1.251 175.864 174.600 0.022 0.000 0.966 347 S CA 0.404 58.615 58.200 0.017 0.000 0.914 347 S CB -0.151 63.051 63.200 0.003 0.000 0.776 347 S HN 0.820 nan 8.310 nan 0.000 0.523 348 G N 1.453 110.273 108.800 0.035 0.000 2.563 348 G HA2 0.356 4.316 3.960 -0.001 0.000 0.283 348 G HA3 0.356 4.316 3.960 -0.001 0.000 0.283 348 G C -0.473 174.432 174.900 0.008 0.000 1.309 348 G CA -0.880 44.232 45.100 0.019 0.000 1.022 348 G HN 0.352 nan 8.290 nan 0.000 0.501 349 N N 1.682 120.377 118.700 -0.008 0.000 2.521 349 N HA 0.203 4.942 4.740 -0.001 0.000 0.236 349 N C -0.805 174.686 175.510 -0.032 0.000 1.067 349 N CA -0.070 52.968 53.050 -0.020 0.000 0.939 349 N CB 1.128 39.599 38.487 -0.027 0.000 1.201 349 N HN 0.382 nan 8.380 nan 0.000 0.511 350 D N 1.246 121.634 120.400 -0.020 0.000 2.385 350 D HA 0.476 5.116 4.640 -0.001 0.000 0.254 350 D C 0.469 176.741 176.300 -0.046 0.000 1.053 350 D CA -0.307 53.676 54.000 -0.027 0.000 0.992 350 D CB 1.922 42.741 40.800 0.031 0.000 1.145 350 D HN 0.249 nan 8.370 nan 0.000 0.523 351 I N 1.063 121.587 120.570 -0.077 0.000 2.439 351 I HA 0.196 4.365 4.170 -0.001 0.000 0.285 351 I C -1.131 175.006 176.117 0.033 0.000 1.021 351 I CA -0.710 60.549 61.300 -0.068 0.000 1.091 351 I CB 1.432 39.305 38.000 -0.212 0.000 1.242 351 I HN -0.053 nan 8.210 nan 0.000 0.439 352 L N 7.677 128.971 121.223 0.120 0.000 2.319 352 L HA 0.507 4.847 4.340 -0.001 0.000 0.281 352 L C -0.418 176.605 176.870 0.256 0.000 1.005 352 L CA -0.503 54.460 54.840 0.204 0.000 0.828 352 L CB 1.816 43.982 42.059 0.178 0.000 1.227 352 L HN 0.226 nan 8.230 nan 0.000 0.415 353 V N 3.046 123.156 119.914 0.327 0.000 2.409 353 V HA 0.727 4.847 4.120 -0.001 0.000 0.291 353 V C 0.708 176.951 176.094 0.248 0.000 1.020 353 V CA -0.563 61.945 62.300 0.346 0.000 0.848 353 V CB 1.282 33.316 31.823 0.351 0.000 0.990 353 V HN 0.821 nan 8.190 nan 0.000 0.430 354 G N 4.082 112.999 108.800 0.195 0.000 2.525 354 G HA2 0.508 4.467 3.960 -0.001 0.000 0.287 354 G HA3 0.508 4.467 3.960 -0.001 0.000 0.287 354 G C -0.263 174.683 174.900 0.077 0.000 1.350 354 G CA -0.447 44.705 45.100 0.086 0.000 1.039 354 G HN 0.801 nan 8.290 nan 0.000 0.513 355 N N -3.079 115.634 118.700 0.022 0.000 3.184 355 N HA 0.289 5.029 4.740 -0.001 0.000 0.353 355 N C 1.120 176.631 175.510 0.001 0.000 1.441 355 N CA 0.119 53.182 53.050 0.021 0.000 0.723 355 N CB 0.535 39.020 38.487 -0.003 0.000 1.547 355 N HN 0.385 nan 8.380 nan 0.000 0.624 356 S N -2.048 113.654 115.700 0.004 0.000 2.515 356 S HA 0.241 4.710 4.470 -0.001 0.000 0.231 356 S C 0.948 175.540 174.600 -0.012 0.000 0.987 356 S CA -0.030 58.171 58.200 0.001 0.000 0.936 356 S CB -0.821 62.387 63.200 0.013 0.000 0.766 356 S HN 0.818 nan 8.310 nan 0.000 0.528 357 A N 1.658 124.465 122.820 -0.022 0.000 2.280 357 A HA 0.454 4.774 4.320 -0.001 0.000 0.268 357 A C -0.292 177.276 177.584 -0.027 0.000 1.111 357 A CA -0.563 51.457 52.037 -0.029 0.000 0.814 357 A CB 0.000 18.976 19.000 -0.040 0.000 1.093 357 A HN 0.316 nan 8.150 nan 0.000 0.498 358 D N 1.131 121.515 120.400 -0.026 0.000 2.336 358 D HA 0.294 4.934 4.640 -0.001 0.000 0.249 358 D C -0.606 175.689 176.300 -0.008 0.000 1.213 358 D CA 0.573 54.562 54.000 -0.018 0.000 0.870 358 D CB 0.196 40.984 40.800 -0.020 0.000 1.076 358 D HN 0.481 nan 8.370 nan 0.000 0.483 359 N N 1.493 120.196 118.700 0.004 0.000 2.370 359 N HA 0.517 5.256 4.740 -0.001 0.000 0.303 359 N C -0.412 175.134 175.510 0.060 0.000 1.103 359 N CA -0.670 52.391 53.050 0.018 0.000 0.848 359 N CB 2.074 40.570 38.487 0.016 0.000 1.235 359 N HN 0.246 nan 8.380 nan 0.000 0.496 360 I N 2.406 123.019 120.570 0.072 0.000 2.354 360 I HA 0.290 4.460 4.170 -0.001 0.000 0.286 360 I C -0.888 175.315 176.117 0.145 0.000 1.007 360 I CA -0.507 60.873 61.300 0.135 0.000 1.167 360 I CB 0.735 38.810 38.000 0.125 0.000 1.320 360 I HN 0.286 nan 8.210 nan 0.000 0.458 361 L N 6.890 128.235 121.223 0.203 0.000 2.322 361 L HA 0.511 4.850 4.340 -0.001 0.000 0.281 361 L C -0.513 176.521 176.870 0.272 0.000 1.014 361 L CA -0.598 54.363 54.840 0.201 0.000 0.815 361 L CB 1.597 43.770 42.059 0.190 0.000 1.247 361 L HN 0.537 nan 8.230 nan 0.000 0.421 362 Q N 1.587 121.508 119.800 0.203 0.000 2.339 362 Q HA 0.274 4.614 4.340 -0.001 0.000 0.268 362 Q C 0.794 176.886 176.000 0.154 0.000 1.027 362 Q CA -0.389 55.532 55.803 0.197 0.000 0.759 362 Q CB 2.286 31.071 28.738 0.080 0.000 1.244 362 Q HN 0.893 nan 8.270 nan 0.000 0.464 363 G N 1.918 110.815 108.800 0.162 0.000 2.448 363 G HA2 0.212 4.172 3.960 -0.001 0.000 0.218 363 G HA3 0.212 4.172 3.960 -0.001 0.000 0.218 363 G C 0.726 175.675 174.900 0.081 0.000 1.135 363 G CA 0.582 45.745 45.100 0.106 0.000 0.784 363 G HN 0.927 nan 8.290 nan 0.000 0.543 364 G N -0.669 108.177 108.800 0.078 0.000 2.693 364 G HA2 0.297 4.256 3.960 -0.001 0.000 0.226 364 G HA3 0.297 4.256 3.960 -0.001 0.000 0.226 364 G C 0.393 175.315 174.900 0.037 0.000 1.354 364 G CA -0.080 45.047 45.100 0.045 0.000 0.873 364 G HN 1.381 nan 8.290 nan 0.000 0.562 365 A N -0.704 122.128 122.820 0.020 0.000 2.346 365 A HA 0.930 5.249 4.320 -0.001 0.000 0.255 365 A C 1.747 179.338 177.584 0.012 0.000 1.113 365 A CA 1.952 53.997 52.037 0.013 0.000 0.798 365 A CB -0.056 18.946 19.000 0.004 0.000 1.073 365 A HN 3.049 nan 8.150 nan 0.000 0.502 366 G N -0.157 108.646 108.800 0.004 0.000 2.707 366 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.686 366 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.686 366 G C -0.809 174.085 174.900 -0.010 0.000 1.315 366 G CA -0.358 44.741 45.100 -0.001 0.000 0.832 366 G HN 1.030 nan 8.290 nan 0.000 0.573 367 N N 2.086 120.775 118.700 -0.018 0.000 2.437 367 N HA 0.354 5.093 4.740 -0.001 0.000 0.243 367 N C -0.747 174.738 175.510 -0.041 0.000 1.041 367 N CA -0.198 52.833 53.050 -0.032 0.000 0.940 367 N CB 1.058 39.528 38.487 -0.027 0.000 1.133 367 N HN 0.549 nan 8.380 nan 0.000 0.506 368 D N 0.593 120.957 120.400 -0.060 0.000 2.272 368 D HA 0.369 5.008 4.640 -0.001 0.000 0.247 368 D C -0.126 176.107 176.300 -0.113 0.000 0.990 368 D CA -0.446 53.514 54.000 -0.067 0.000 0.931 368 D CB 2.543 43.318 40.800 -0.042 0.000 1.195 368 D HN -0.004 nan 8.370 nan 0.000 0.477 369 V N 2.111 121.979 119.914 -0.075 0.000 2.378 369 V HA 0.276 4.396 4.120 -0.001 0.000 0.288 369 V C -0.472 175.611 176.094 -0.020 0.000 1.016 369 V CA -0.653 61.608 62.300 -0.065 0.000 0.840 369 V CB 1.260 33.070 31.823 -0.022 0.000 0.994 369 V HN 0.283 nan 8.190 nan 0.000 0.431 370 L N 5.300 126.498 121.223 -0.042 0.000 2.329 370 L HA 0.565 4.904 4.340 -0.001 0.000 0.279 370 L C -0.867 176.101 176.870 0.163 0.000 1.014 370 L CA -0.452 54.435 54.840 0.079 0.000 0.814 370 L CB 1.532 43.654 42.059 0.105 0.000 1.257 370 L HN 0.655 nan 8.230 nan 0.000 0.424 371 Y N 1.314 121.633 120.300 0.032 0.000 2.349 371 Y HA 0.528 5.077 4.550 -0.001 0.000 0.324 371 Y C 0.830 176.731 175.900 0.001 0.000 1.005 371 Y CA -0.686 57.401 58.100 -0.021 0.000 1.240 371 Y CB 1.850 40.307 38.460 -0.005 0.000 1.117 371 Y HN 0.643 nan 8.280 nan 0.000 0.463 372 G N 2.995 111.550 108.800 -0.410 0.000 2.403 372 G HA2 0.311 4.270 3.960 -0.001 0.000 0.216 372 G HA3 0.311 4.270 3.960 -0.001 0.000 0.216 372 G C 0.831 175.452 174.900 -0.465 0.000 1.154 372 G CA 0.635 45.552 45.100 -0.304 0.000 0.784 372 G HN 1.488 nan 8.290 nan 0.000 0.538 373 G N -0.497 107.731 108.800 -0.953 0.000 2.593 373 G HA2 0.281 4.241 3.960 -0.001 0.000 0.237 373 G HA3 0.281 4.241 3.960 -0.001 0.000 0.237 373 G C 0.437 175.213 174.900 -0.206 0.000 1.312 373 G CA 0.097 44.823 45.100 -0.623 0.000 0.896 373 G HN 1.428 nan 8.290 nan 0.000 0.574 374 A N -0.596 122.189 122.820 -0.059 0.000 2.366 374 A HA 0.895 5.215 4.320 -0.001 0.000 0.250 374 A C 1.741 179.314 177.584 -0.018 0.000 1.099 374 A CA 1.965 54.002 52.037 0.001 0.000 0.794 374 A CB -0.064 18.955 19.000 0.032 0.000 1.056 374 A HN 3.026 nan 8.150 nan 0.000 0.499 375 G N -1.967 106.829 108.800 -0.008 0.000 2.746 375 G HA2 0.434 4.394 3.960 -0.001 0.000 0.685 375 G HA3 0.434 4.394 3.960 -0.001 0.000 0.685 375 G C -0.033 174.844 174.900 -0.039 0.000 1.350 375 G CA -0.169 44.916 45.100 -0.025 0.000 0.837 375 G HN 2.259 nan 8.290 nan 0.000 0.564 376 A N 1.202 123.985 122.820 -0.061 0.000 2.391 376 A HA 0.603 4.923 4.320 -0.001 0.000 0.316 376 A C 0.204 177.773 177.584 -0.026 0.000 1.381 376 A CA -0.122 51.863 52.037 -0.087 0.000 0.998 376 A CB 0.091 18.988 19.000 -0.171 0.000 1.147 376 A HN 0.590 nan 8.150 nan 0.000 0.545 377 D N 1.360 121.766 120.400 0.010 0.000 2.277 377 D HA 0.475 5.115 4.640 -0.001 0.000 0.250 377 D C -0.418 175.947 176.300 0.108 0.000 1.032 377 D CA 0.195 54.226 54.000 0.051 0.000 0.947 377 D CB 1.661 42.483 40.800 0.038 0.000 1.159 377 D HN 0.346 nan 8.370 nan 0.000 0.460 378 T N 1.311 115.939 114.554 0.124 0.000 2.815 378 T HA 0.459 4.809 4.350 -0.001 0.000 0.289 378 T C -0.018 174.749 174.700 0.113 0.000 1.000 378 T CA -0.581 61.596 62.100 0.128 0.000 0.958 378 T CB 0.584 69.539 68.868 0.144 0.000 0.944 378 T HN 0.083 nan 8.240 nan 0.000 0.442 379 L N 3.494 124.729 121.223 0.021 0.000 2.322 379 L HA 0.606 4.945 4.340 -0.001 0.000 0.281 379 L C -1.209 175.645 176.870 -0.027 0.000 1.014 379 L CA -1.132 53.788 54.840 0.132 0.000 0.815 379 L CB 1.271 43.499 42.059 0.280 0.000 1.247 379 L HN 0.610 nan 8.230 nan 0.000 0.421 380 Y N 0.688 121.163 120.300 0.292 0.000 2.338 380 Y HA 0.343 4.893 4.550 -0.001 0.000 0.328 380 Y C 1.058 177.155 175.900 0.328 0.000 0.965 380 Y CA -0.617 57.643 58.100 0.267 0.000 1.208 380 Y CB 2.040 40.589 38.460 0.149 0.000 1.132 380 Y HN 0.707 nan 8.280 nan 0.000 0.469 381 G N 1.777 110.912 108.800 0.558 0.000 2.403 381 G HA2 0.310 4.270 3.960 -0.001 0.000 0.216 381 G HA3 0.310 4.270 3.960 -0.001 0.000 0.216 381 G C 0.832 175.851 174.900 0.199 0.000 1.154 381 G CA 0.605 45.904 45.100 0.333 0.000 0.784 381 G HN 1.167 nan 8.290 nan 0.000 0.538 382 G N -0.899 108.034 108.800 0.221 0.000 2.725 382 G HA2 0.343 4.303 3.960 -0.001 0.000 0.220 382 G HA3 0.343 4.303 3.960 -0.001 0.000 0.220 382 G C 0.231 175.183 174.900 0.087 0.000 1.357 382 G CA -0.166 45.016 45.100 0.137 0.000 0.866 382 G HN 1.411 nan 8.290 nan 0.000 0.548 383 A N -0.454 122.398 122.820 0.052 0.000 2.425 383 A HA 0.924 5.243 4.320 -0.001 0.000 0.242 383 A C 1.602 179.196 177.584 0.016 0.000 1.077 383 A CA 2.034 54.088 52.037 0.029 0.000 0.781 383 A CB 0.103 19.113 19.000 0.017 0.000 1.020 383 A HN 3.000 nan 8.150 nan 0.000 0.494 384 G N 0.450 109.251 108.800 0.002 0.000 2.462 384 G HA2 0.022 3.982 3.960 -0.001 0.000 0.685 384 G HA3 0.022 3.982 3.960 -0.001 0.000 0.685 384 G C -0.644 174.241 174.900 -0.025 0.000 1.295 384 G CA -0.680 44.413 45.100 -0.011 0.000 0.941 384 G HN 0.910 nan 8.290 nan 0.000 0.554 385 R N 1.200 121.681 120.500 -0.032 0.000 2.296 385 R HA 0.349 4.689 4.340 -0.001 0.000 0.327 385 R C -0.729 175.534 176.300 -0.061 0.000 1.137 385 R CA -0.586 55.489 56.100 -0.042 0.000 1.020 385 R CB 0.514 30.797 30.300 -0.028 0.000 1.110 385 R HN 0.475 nan 8.270 nan 0.000 0.499 386 D N 1.380 121.722 120.400 -0.096 0.000 2.268 386 D HA 0.275 4.914 4.640 -0.001 0.000 0.249 386 D C -0.174 175.977 176.300 -0.248 0.000 1.008 386 D CA -0.179 53.697 54.000 -0.208 0.000 0.939 386 D CB 2.218 42.829 40.800 -0.316 0.000 1.170 386 D HN 0.211 nan 8.370 nan 0.000 0.468 387 T N 1.102 115.457 114.554 -0.331 0.000 2.840 387 T HA 0.392 4.741 4.350 -0.001 0.000 0.287 387 T C -0.557 173.972 174.700 -0.284 0.000 0.991 387 T CA -0.544 61.461 62.100 -0.158 0.000 0.964 387 T CB 0.352 69.222 68.868 0.002 0.000 0.954 387 T HN 0.084 nan 8.240 nan 0.000 0.438 388 F N 2.318 122.425 119.950 0.261 0.000 2.361 388 F HA 0.500 5.027 4.527 -0.001 0.000 0.364 388 F C 0.285 176.223 175.800 0.229 0.000 1.120 388 F CA -1.033 57.108 58.000 0.236 0.000 1.102 388 F CB 0.833 40.038 39.000 0.342 0.000 1.183 388 F HN 0.179 nan 8.300 nan 0.000 0.476 389 V N 4.117 124.152 119.914 0.202 0.000 2.481 389 V HA 0.282 4.402 4.120 -0.001 0.000 0.286 389 V C -0.811 175.262 176.094 -0.036 0.000 1.042 389 V CA -0.871 61.564 62.300 0.226 0.000 0.928 389 V CB 1.027 33.009 31.823 0.265 0.000 0.986 389 V HN 0.505 nan 8.190 nan 0.000 0.462 390 Y N 1.939 122.525 120.300 0.476 0.000 2.326 390 Y HA 0.571 5.120 4.550 -0.001 0.000 0.329 390 Y C 0.938 177.107 175.900 0.448 0.000 0.973 390 Y CA -0.576 57.816 58.100 0.486 0.000 1.162 390 Y CB 2.159 40.963 38.460 0.574 0.000 1.147 390 Y HN 0.667 nan 8.280 nan 0.000 0.456 391 G N 0.695 109.805 108.800 0.517 0.000 3.126 391 G HA2 0.275 4.234 3.960 -0.001 0.000 0.224 391 G HA3 0.275 4.234 3.960 -0.001 0.000 0.224 391 G C -0.016 174.933 174.900 0.082 0.000 1.142 391 G CA 0.248 45.583 45.100 0.391 0.000 0.759 391 G HN 0.466 nan 8.290 nan 0.000 0.550 392 S N -2.274 113.473 115.700 0.079 0.000 2.567 392 S HA 0.490 4.959 4.470 -0.001 0.000 0.270 392 S C 1.142 175.913 174.600 0.285 0.000 1.152 392 S CA 0.438 58.633 58.200 -0.008 0.000 0.835 392 S CB 0.916 64.196 63.200 0.133 0.000 1.115 392 S HN 0.288 nan 8.310 nan 0.000 0.459 393 G N 1.320 110.308 108.800 0.313 0.000 2.471 393 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.219 393 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.219 393 G C 0.924 176.125 174.900 0.501 0.000 1.125 393 G CA 0.497 45.921 45.100 0.540 0.000 0.775 393 G HN 0.642 nan 8.290 nan 0.000 0.548 394 Q N 0.548 120.549 119.800 0.335 0.000 2.488 394 Q HA -0.024 4.316 4.340 -0.001 0.000 0.211 394 Q C 1.607 177.745 176.000 0.231 0.000 0.967 394 Q CA 0.658 56.610 55.803 0.248 0.000 0.926 394 Q CB -0.017 28.831 28.738 0.184 0.000 0.992 394 Q HN 0.400 nan 8.270 nan 0.000 0.506 395 D N -0.042 120.557 120.400 0.333 0.000 2.144 395 D HA -0.051 4.588 4.640 -0.001 0.000 0.200 395 D C 0.312 176.744 176.300 0.220 0.000 0.978 395 D CA 0.890 55.063 54.000 0.288 0.000 0.833 395 D CB 0.225 41.306 40.800 0.469 0.000 0.961 395 D HN -0.067 nan 8.370 nan 0.000 0.470 396 S N -0.036 115.752 115.700 0.146 0.000 2.440 396 S HA 0.188 4.658 4.470 -0.001 0.000 0.142 396 S C -0.400 173.996 174.600 -0.340 0.000 1.578 396 S CA -0.646 57.419 58.200 -0.225 0.000 1.260 396 S CB -0.247 62.606 63.200 -0.579 0.000 1.407 396 S HN 0.197 nan 8.310 nan 0.000 0.392 397 T N -0.022 114.487 114.554 -0.076 0.000 2.860 397 T HA 0.340 4.689 4.350 -0.001 0.000 0.299 397 T C 1.687 176.371 174.700 -0.026 0.000 1.045 397 T CA -0.571 61.523 62.100 -0.009 0.000 1.071 397 T CB 0.968 69.874 68.868 0.063 0.000 0.985 397 T HN 0.146 nan 8.240 nan 0.000 0.537 398 V N 2.004 121.937 119.914 0.032 0.000 2.392 398 V HA -0.132 3.988 4.120 -0.001 0.000 0.249 398 V C 3.009 179.183 176.094 0.134 0.000 1.059 398 V CA 2.225 64.577 62.300 0.086 0.000 1.051 398 V CB -1.554 30.354 31.823 0.142 0.000 0.658 398 V HN 1.091 nan 8.190 nan 0.000 0.455 399 A N -0.776 122.086 122.820 0.071 0.000 2.121 399 A HA 0.378 4.698 4.320 -0.001 0.000 0.218 399 A C 1.456 179.014 177.584 -0.043 0.000 1.154 399 A CA 1.327 53.384 52.037 0.034 0.000 0.679 399 A CB -0.215 18.804 19.000 0.031 0.000 0.795 399 A HN 0.845 nan 8.150 nan 0.000 0.458 400 A N -0.452 122.322 122.820 -0.078 0.000 3.464 400 A HA 0.500 4.820 4.320 -0.001 0.000 0.243 400 A C -0.218 177.237 177.584 -0.216 0.000 1.100 400 A CA -0.718 51.208 52.037 -0.186 0.000 0.957 400 A CB -0.634 18.306 19.000 -0.099 0.000 1.340 400 A HN 0.631 nan 8.150 nan 0.000 0.645 401 Y N -1.012 119.164 120.300 -0.207 0.000 2.379 401 Y HA 0.629 5.178 4.550 -0.001 0.000 0.337 401 Y C -0.119 175.599 175.900 -0.303 0.000 1.238 401 Y CA -1.066 56.837 58.100 -0.328 0.000 1.405 401 Y CB 0.153 38.325 38.460 -0.480 0.000 1.310 401 Y HN 0.305 nan 8.280 nan 0.000 0.569 402 D N 1.482 121.835 120.400 -0.078 0.000 2.329 402 D HA 0.202 4.842 4.640 -0.001 0.000 0.246 402 D C -1.493 174.775 176.300 -0.053 0.000 1.111 402 D CA 0.100 54.088 54.000 -0.019 0.000 0.941 402 D CB 0.417 41.264 40.800 0.077 0.000 1.169 402 D HN 0.695 nan 8.370 nan 0.000 0.441 403 W N 1.117 122.412 121.300 -0.007 0.000 2.656 403 W HA 0.508 5.167 4.660 -0.001 0.000 0.327 403 W C -0.512 175.906 176.519 -0.168 0.000 1.041 403 W CA -0.632 56.674 57.345 -0.066 0.000 1.229 403 W CB 1.078 30.507 29.460 -0.052 0.000 1.397 403 W HN 0.075 nan 8.180 nan 0.000 0.479 404 I N 4.427 125.044 120.570 0.079 0.000 2.371 404 I HA 0.212 4.381 4.170 -0.001 0.000 0.282 404 I C 0.870 176.918 176.117 -0.115 0.000 1.031 404 I CA -0.247 60.936 61.300 -0.195 0.000 1.180 404 I CB 1.362 39.099 38.000 -0.439 0.000 1.336 404 I HN 0.706 nan 8.210 nan 0.000 0.467 405 A N 4.329 126.963 122.820 -0.310 0.000 2.169 405 A HA -0.037 4.283 4.320 -0.001 0.000 0.212 405 A C 0.996 178.506 177.584 -0.124 0.000 1.153 405 A CA 0.858 52.702 52.037 -0.321 0.000 0.756 405 A CB -0.227 18.359 19.000 -0.691 0.000 0.813 405 A HN 0.785 nan 8.150 nan 0.000 0.471 406 D N -2.244 118.134 120.400 -0.036 0.000 2.760 406 D HA 0.116 4.755 4.640 -0.001 0.000 0.314 406 D C -0.249 176.152 176.300 0.169 0.000 1.464 406 D CA -0.693 53.380 54.000 0.123 0.000 0.797 406 D CB -1.216 39.720 40.800 0.226 0.000 1.149 406 D HN 0.075 nan 8.370 nan 0.000 0.455 407 F N 2.012 121.971 119.950 0.015 0.000 2.607 407 F HA 0.150 4.677 4.527 -0.001 0.000 0.374 407 F C 0.480 176.338 175.800 0.097 0.000 1.104 407 F CA 0.668 58.702 58.000 0.057 0.000 1.296 407 F CB 0.701 39.690 39.000 -0.018 0.000 1.085 407 F HN -0.054 nan 8.300 nan 0.000 0.584 408 Q N 6.157 125.634 119.800 -0.539 0.000 2.394 408 Q HA 0.155 4.495 4.340 -0.001 0.000 0.259 408 Q C -0.468 175.295 176.000 -0.395 0.000 1.021 408 Q CA -0.836 54.781 55.803 -0.311 0.000 0.805 408 Q CB 1.407 30.027 28.738 -0.195 0.000 1.226 408 Q HN 0.529 nan 8.270 nan 0.000 0.476 409 K N 0.881 121.234 120.400 -0.078 0.000 2.484 409 K HA 0.027 4.347 4.320 -0.001 0.000 0.280 409 K C 0.870 177.456 176.600 -0.023 0.000 1.013 409 K CA 1.351 57.666 56.287 0.047 0.000 1.029 409 K CB 0.073 32.619 32.500 0.077 0.000 0.902 409 K HN 0.848 nan 8.250 nan 0.000 0.481 410 G N 3.608 112.412 108.800 0.007 0.000 2.184 410 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.264 410 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.264 410 G C 0.645 175.524 174.900 -0.036 0.000 0.975 410 G CA 0.620 45.716 45.100 -0.008 0.000 0.642 410 G HN 0.656 nan 8.290 nan 0.000 0.536 411 I N -0.453 120.061 120.570 -0.093 0.000 3.570 411 I HA 0.227 4.397 4.170 -0.001 0.000 0.270 411 I C 0.797 176.844 176.117 -0.118 0.000 1.162 411 I CA -0.102 61.140 61.300 -0.096 0.000 1.413 411 I CB 0.007 37.946 38.000 -0.103 0.000 1.437 411 I HN -0.044 nan 8.210 nan 0.000 0.457 412 D N 2.173 122.409 120.400 -0.274 0.000 2.411 412 D HA 0.373 5.012 4.640 -0.001 0.000 0.251 412 D C -0.336 175.997 176.300 0.055 0.000 1.201 412 D CA 0.124 53.997 54.000 -0.212 0.000 0.996 412 D CB 1.100 41.615 40.800 -0.476 0.000 1.101 412 D HN 0.025 nan 8.370 nan 0.000 0.504 413 K N 0.142 120.736 120.400 0.323 0.000 2.502 413 K HA 0.556 4.876 4.320 -0.001 0.000 0.257 413 K C -0.816 176.158 176.600 0.623 0.000 0.938 413 K CA -0.662 55.889 56.287 0.440 0.000 0.819 413 K CB 2.273 34.916 32.500 0.238 0.000 1.333 413 K HN 0.246 nan 8.250 nan 0.000 0.434 414 I N 1.617 122.499 120.570 0.520 0.000 2.382 414 I HA 0.131 4.301 4.170 -0.001 0.000 0.286 414 I C -0.678 175.676 176.117 0.396 0.000 1.002 414 I CA -0.604 60.996 61.300 0.500 0.000 1.135 414 I CB 1.448 39.625 38.000 0.294 0.000 1.288 414 I HN 0.483 nan 8.210 nan 0.000 0.448 415 D N 7.742 128.407 120.400 0.441 0.000 2.347 415 D HA 0.287 4.926 4.640 -0.001 0.000 0.235 415 D C 0.150 176.710 176.300 0.433 0.000 1.149 415 D CA -0.061 54.160 54.000 0.368 0.000 0.850 415 D CB 1.352 42.345 40.800 0.323 0.000 1.061 415 D HN 0.482 nan 8.370 nan 0.000 0.487 416 L N 3.005 124.433 121.223 0.342 0.000 3.014 416 L HA 0.031 4.371 4.340 -0.001 0.000 0.263 416 L C 2.125 179.204 176.870 0.350 0.000 1.207 416 L CA -0.159 54.920 54.840 0.398 0.000 1.017 416 L CB 0.257 42.435 42.059 0.198 0.000 1.360 416 L HN 0.293 nan 8.230 nan 0.000 0.560 417 S N 0.451 116.282 115.700 0.220 0.000 2.419 417 S HA -0.214 4.256 4.470 -0.001 0.000 0.235 417 S C 2.122 176.707 174.600 -0.025 0.000 1.019 417 S CA 1.018 59.271 58.200 0.089 0.000 0.982 417 S CB -0.159 63.065 63.200 0.039 0.000 0.789 417 S HN 0.406 nan 8.310 nan 0.000 0.490 418 A N 0.898 123.686 122.820 -0.054 0.000 2.024 418 A HA 0.094 4.413 4.320 -0.001 0.000 0.220 418 A C 1.688 179.110 177.584 -0.270 0.000 1.164 418 A CA 1.170 53.024 52.037 -0.305 0.000 0.643 418 A CB -1.020 17.888 19.000 -0.153 0.000 0.806 418 A HN 0.596 nan 8.150 nan 0.000 0.451 419 F N -0.301 119.617 119.950 -0.055 0.000 2.748 419 F HA 0.049 4.576 4.527 -0.001 0.000 0.299 419 F C 2.200 177.966 175.800 -0.057 0.000 1.154 419 F CA 0.592 58.558 58.000 -0.057 0.000 1.446 419 F CB -0.172 38.777 39.000 -0.084 0.000 1.112 419 F HN 0.125 nan 8.300 nan 0.000 0.584 420 R N 0.913 121.454 120.500 0.068 0.000 2.200 420 R HA -0.169 4.170 4.340 -0.001 0.000 0.234 420 R C 2.082 178.378 176.300 -0.006 0.000 1.127 420 R CA 1.327 57.441 56.100 0.023 0.000 0.989 420 R CB -0.667 29.624 30.300 -0.015 0.000 0.869 420 R HN 0.425 nan 8.270 nan 0.000 0.459 421 N N 1.200 119.876 118.700 -0.039 0.000 2.364 421 N HA -0.205 4.535 4.740 -0.001 0.000 0.183 421 N C 0.490 175.996 175.510 -0.007 0.000 1.022 421 N CA 1.264 54.289 53.050 -0.041 0.000 0.883 421 N CB -0.035 38.411 38.487 -0.069 0.000 0.965 421 N HN 0.401 nan 8.380 nan 0.000 0.438 422 E N -0.290 119.923 120.200 0.022 0.000 2.501 422 E HA 0.345 4.694 4.350 -0.001 0.000 0.200 422 E C -0.039 176.580 176.600 0.032 0.000 1.016 422 E CA -0.087 56.335 56.400 0.037 0.000 0.921 422 E CB 0.426 30.169 29.700 0.072 0.000 1.034 422 E HN 0.484 nan 8.360 nan 0.000 0.468 423 G N 2.049 110.865 108.800 0.027 0.000 2.742 423 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 423 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 423 G C -0.776 174.142 174.900 0.031 0.000 1.220 423 G CA -1.129 43.983 45.100 0.020 0.000 0.783 423 G HN 0.057 nan 8.290 nan 0.000 0.646 424 Q N 0.515 120.330 119.800 0.026 0.000 2.283 424 Q HA 0.388 4.728 4.340 -0.001 0.000 0.301 424 Q C 0.705 176.726 176.000 0.035 0.000 1.063 424 Q CA 0.285 56.108 55.803 0.034 0.000 0.952 424 Q CB 0.393 29.149 28.738 0.029 0.000 1.166 424 Q HN 0.580 nan 8.270 nan 0.000 0.381 425 L N 3.278 124.527 121.223 0.043 0.000 2.416 425 L HA 0.229 4.568 4.340 -0.001 0.000 0.272 425 L C 0.034 176.942 176.870 0.063 0.000 1.161 425 L CA -0.155 54.702 54.840 0.029 0.000 0.845 425 L CB 0.939 43.001 42.059 0.004 0.000 1.119 425 L HN 0.624 nan 8.230 nan 0.000 0.464 426 S N 2.720 118.459 115.700 0.064 0.000 2.489 426 S HA 0.419 4.888 4.470 -0.001 0.000 0.291 426 S C -0.618 174.068 174.600 0.143 0.000 1.151 426 S CA -0.468 57.793 58.200 0.101 0.000 1.082 426 S CB 1.162 64.405 63.200 0.071 0.000 1.019 426 S HN 0.315 nan 8.310 nan 0.000 0.492 427 F N 4.491 124.461 119.950 0.034 0.000 2.411 427 F HA 0.517 5.044 4.527 -0.001 0.000 0.355 427 F C 0.035 175.852 175.800 0.028 0.000 1.117 427 F CA -0.590 57.431 58.000 0.035 0.000 1.139 427 F CB 0.600 39.615 39.000 0.024 0.000 1.120 427 F HN 0.374 nan 8.300 nan 0.000 0.493 428 V N 4.482 124.148 119.914 -0.413 0.000 2.667 428 V HA 0.431 4.550 4.120 -0.001 0.000 0.308 428 V C 0.490 176.333 176.094 -0.419 0.000 1.048 428 V CA -0.718 61.419 62.300 -0.271 0.000 0.928 428 V CB 1.753 33.445 31.823 -0.219 0.000 1.004 428 V HN 0.773 nan 8.190 nan 0.000 0.444 429 Q N 2.828 122.531 119.800 -0.162 0.000 2.020 429 Q HA -0.013 4.327 4.340 -0.001 0.000 0.198 429 Q C 0.981 176.888 176.000 -0.155 0.000 0.974 429 Q CA 2.361 58.112 55.803 -0.086 0.000 0.829 429 Q CB -0.096 28.647 28.738 0.010 0.000 0.894 429 Q HN 1.173 nan 8.270 nan 0.000 0.433 430 D N -1.937 118.353 120.400 -0.183 0.000 2.530 430 D HA 0.061 4.700 4.640 -0.001 0.000 0.253 430 D C -0.252 175.883 176.300 -0.275 0.000 1.338 430 D CA -0.184 53.697 54.000 -0.199 0.000 0.806 430 D CB 0.113 40.851 40.800 -0.105 0.000 1.160 430 D HN 0.175 nan 8.370 nan 0.000 0.514 431 Q N -0.454 119.151 119.800 -0.325 0.000 2.391 431 Q HA 0.436 4.776 4.340 -0.001 0.000 0.279 431 Q C -1.480 174.335 176.000 -0.308 0.000 1.028 431 Q CA -0.971 54.642 55.803 -0.316 0.000 0.836 431 Q CB 1.268 29.916 28.738 -0.150 0.000 1.414 431 Q HN -0.012 nan 8.270 nan 0.000 0.397 432 F N 1.181 121.077 119.950 -0.091 0.000 2.385 432 F HA 0.267 4.793 4.527 -0.001 0.000 0.336 432 F C 1.686 177.474 175.800 -0.020 0.000 1.100 432 F CA -0.117 57.854 58.000 -0.048 0.000 1.116 432 F CB 1.976 40.946 39.000 -0.050 0.000 1.166 432 F HN 0.864 nan 8.300 nan 0.000 0.511 433 T N -1.640 113.050 114.554 0.227 0.000 3.054 433 T HA 0.244 4.593 4.350 -0.001 0.000 0.259 433 T C 1.562 176.332 174.700 0.118 0.000 1.092 433 T CA 0.635 62.807 62.100 0.120 0.000 1.121 433 T CB 0.146 69.063 68.868 0.081 0.000 0.912 433 T HN 1.060 nan 8.240 nan 0.000 0.489 434 G N 1.381 110.285 108.800 0.174 0.000 2.213 434 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.226 434 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.226 434 G C 0.937 175.882 174.900 0.076 0.000 0.992 434 G CA 0.349 45.552 45.100 0.171 0.000 0.632 434 G HN 0.536 nan 8.290 nan 0.000 0.511 435 K N 0.491 120.903 120.400 0.021 0.000 2.097 435 K HA 0.367 4.687 4.320 -0.001 0.000 0.206 435 K C 1.474 177.980 176.600 -0.157 0.000 1.049 435 K CA 1.049 57.311 56.287 -0.042 0.000 0.933 435 K CB -0.139 32.352 32.500 -0.015 0.000 0.717 435 K HN 1.632 nan 8.250 nan 0.000 0.442 436 G N 0.089 108.723 108.800 -0.276 0.000 2.497 436 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.686 436 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.686 436 G C -1.149 173.599 174.900 -0.254 0.000 1.288 436 G CA -0.675 44.126 45.100 -0.499 0.000 0.899 436 G HN 0.068 nan 8.290 nan 0.000 0.608 437 Q N -0.846 118.805 119.800 -0.249 0.000 2.451 437 Q HA -0.159 4.180 4.340 -0.001 0.000 0.305 437 Q C 0.207 176.162 176.000 -0.074 0.000 1.345 437 Q CA 2.290 58.014 55.803 -0.131 0.000 0.854 437 Q CB -1.440 27.259 28.738 -0.064 0.000 1.162 437 Q HN 0.875 nan 8.270 nan 0.000 0.440 438 E N -0.822 119.342 120.200 -0.059 0.000 2.288 438 E HA 0.696 5.046 4.350 -0.001 0.000 0.268 438 E C -0.463 176.224 176.600 0.145 0.000 0.885 438 E CA -0.914 55.536 56.400 0.083 0.000 0.767 438 E CB 2.296 32.141 29.700 0.242 0.000 1.220 438 E HN -0.018 nan 8.360 nan 0.000 0.427 439 V N 2.772 122.740 119.914 0.091 0.000 2.604 439 V HA 0.520 4.639 4.120 -0.001 0.000 0.305 439 V C -0.357 175.575 176.094 -0.269 0.000 1.043 439 V CA -0.736 61.586 62.300 0.036 0.000 0.888 439 V CB 1.803 33.654 31.823 0.048 0.000 0.995 439 V HN 0.685 nan 8.190 nan 0.000 0.429 440 M N 4.847 124.346 119.600 -0.169 0.000 2.501 440 M HA 0.657 5.136 4.480 -0.001 0.000 0.293 440 M C -2.315 173.903 176.300 -0.137 0.000 1.192 440 M CA -0.646 54.398 55.300 -0.426 0.000 0.886 440 M CB 2.321 34.622 32.600 -0.500 0.000 1.710 440 M HN 0.542 nan 8.290 nan 0.000 0.457 441 L N 4.079 125.235 121.223 -0.112 0.000 2.341 441 L HA 0.523 4.862 4.340 -0.001 0.000 0.278 441 L C -0.817 176.108 176.870 0.092 0.000 1.005 441 L CA -0.743 54.142 54.840 0.075 0.000 0.818 441 L CB 1.957 44.149 42.059 0.220 0.000 1.259 441 L HN 0.628 nan 8.230 nan 0.000 0.418 442 Q N 3.622 123.497 119.800 0.125 0.000 2.310 442 Q HA 0.234 4.574 4.340 -0.001 0.000 0.270 442 Q C -1.360 174.758 176.000 0.197 0.000 1.025 442 Q CA -0.285 55.611 55.803 0.154 0.000 0.772 442 Q CB 3.029 31.882 28.738 0.193 0.000 1.253 442 Q HN 0.630 nan 8.270 nan 0.000 0.450 443 W N 4.658 125.967 121.300 0.014 0.000 2.361 443 W HA 0.267 4.927 4.660 -0.001 0.000 0.309 443 W C -0.984 175.544 176.519 0.015 0.000 1.122 443 W CA -0.309 57.044 57.345 0.013 0.000 1.208 443 W CB 1.145 30.617 29.460 0.021 0.000 1.246 443 W HN 0.516 nan 8.180 nan 0.000 0.490 444 D N 4.833 124.791 120.400 -0.736 0.000 2.460 444 D HA 0.316 4.956 4.640 -0.001 0.000 0.232 444 D C 0.924 176.560 176.300 -1.106 0.000 1.079 444 D CA 0.005 53.609 54.000 -0.660 0.000 0.864 444 D CB 1.619 42.188 40.800 -0.385 0.000 1.048 444 D HN 0.489 nan 8.370 nan 0.000 0.523 445 A N 3.721 126.047 122.820 -0.824 0.000 1.933 445 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 445 A C 2.113 179.536 177.584 -0.269 0.000 1.175 445 A CA 1.806 53.574 52.037 -0.448 0.000 0.628 445 A CB -0.363 18.643 19.000 0.011 0.000 0.814 445 A HN 0.620 nan 8.150 nan 0.000 0.444 446 A N 1.133 123.819 122.820 -0.222 0.000 1.908 446 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 446 A C 1.741 179.242 177.584 -0.139 0.000 1.181 446 A CA 1.778 53.735 52.037 -0.133 0.000 0.627 446 A CB -0.798 18.140 19.000 -0.103 0.000 0.818 446 A HN 0.918 nan 8.150 nan 0.000 0.445 447 N N -2.990 115.583 118.700 -0.211 0.000 2.184 447 N HA 0.125 4.864 4.740 -0.001 0.000 0.206 447 N C -0.088 175.302 175.510 -0.200 0.000 1.151 447 N CA 0.667 53.623 53.050 -0.157 0.000 0.878 447 N CB 0.508 38.931 38.487 -0.108 0.000 1.014 447 N HN 0.058 nan 8.380 nan 0.000 0.512 448 S N 0.459 115.910 115.700 -0.415 0.000 3.698 448 S HA -0.098 4.372 4.470 -0.001 0.000 0.338 448 S C -0.379 174.036 174.600 -0.309 0.000 1.089 448 S CA 0.414 58.339 58.200 -0.458 0.000 0.991 448 S CB -1.239 61.988 63.200 0.045 0.000 0.909 448 S HN 0.468 nan 8.310 nan 0.000 0.485 449 I N 1.379 121.682 120.570 -0.445 0.000 2.474 449 I HA 0.420 4.590 4.170 -0.001 0.000 0.294 449 I C 0.650 176.712 176.117 -0.092 0.000 1.005 449 I CA -0.186 61.050 61.300 -0.108 0.000 1.113 449 I CB 1.793 39.779 38.000 -0.022 0.000 1.289 449 I HN 0.026 nan 8.210 nan 0.000 0.436 450 T N 5.330 119.943 114.554 0.098 0.000 2.770 450 T HA 0.366 4.716 4.350 -0.001 0.000 0.283 450 T C 0.055 174.683 174.700 -0.120 0.000 0.988 450 T CA -0.642 61.529 62.100 0.118 0.000 0.957 450 T CB 0.615 69.609 68.868 0.211 0.000 0.930 450 T HN 0.316 nan 8.240 nan 0.000 0.443 451 N N 2.986 121.572 118.700 -0.190 0.000 2.426 451 N HA 0.317 5.056 4.740 -0.001 0.000 0.275 451 N C -0.806 174.413 175.510 -0.483 0.000 1.019 451 N CA -0.477 52.275 53.050 -0.497 0.000 0.941 451 N CB 1.499 39.633 38.487 -0.588 0.000 1.123 451 N HN 0.574 nan 8.380 nan 0.000 0.486 452 L N 3.281 124.164 121.223 -0.566 0.000 2.262 452 L HA 0.473 4.813 4.340 -0.001 0.000 0.288 452 L C -1.156 175.489 176.870 -0.375 0.000 1.035 452 L CA -0.746 53.896 54.840 -0.331 0.000 0.820 452 L CB 0.445 42.351 42.059 -0.254 0.000 1.204 452 L HN 0.457 nan 8.230 nan 0.000 0.424 453 W N 6.044 127.339 121.300 -0.009 0.000 2.520 453 W HA 0.609 5.268 4.660 -0.001 0.000 0.323 453 W C -0.697 175.930 176.519 0.181 0.000 1.062 453 W CA -0.526 56.879 57.345 0.100 0.000 1.215 453 W CB 1.632 31.205 29.460 0.188 0.000 1.340 453 W HN 0.297 nan 8.180 nan 0.000 0.516 454 L N 3.552 125.016 121.223 0.401 0.000 2.404 454 L HA 0.377 4.716 4.340 -0.001 0.000 0.272 454 L C -0.835 176.009 176.870 -0.045 0.000 0.980 454 L CA -0.764 54.121 54.840 0.074 0.000 0.836 454 L CB 1.265 43.143 42.059 -0.303 0.000 1.238 454 L HN 0.563 nan 8.230 nan 0.000 0.408 455 H N 4.915 123.750 119.070 -0.391 0.000 2.741 455 H HA 0.224 4.779 4.556 -0.001 0.000 0.282 455 H C -0.544 174.596 175.328 -0.314 0.000 1.122 455 H CA -0.510 55.234 56.048 -0.507 0.000 1.293 455 H CB 0.890 30.075 29.762 -0.961 0.000 1.415 455 H HN 0.667 nan 8.280 nan 0.000 0.472 456 E N 3.390 123.492 120.200 -0.165 0.000 2.366 456 E HA 0.332 4.681 4.350 -0.001 0.000 0.266 456 E C -0.447 176.124 176.600 -0.047 0.000 1.051 456 E CA -0.728 55.580 56.400 -0.154 0.000 0.884 456 E CB 0.842 30.420 29.700 -0.203 0.000 1.006 456 E HN 0.739 nan 8.360 nan 0.000 0.417 457 A N 2.565 125.376 122.820 -0.015 0.000 2.540 457 A HA 0.380 4.700 4.320 -0.001 0.000 0.239 457 A C 1.143 178.792 177.584 0.109 0.000 1.061 457 A CA 0.722 52.754 52.037 -0.009 0.000 0.758 457 A CB -0.405 18.599 19.000 0.005 0.000 0.991 457 A HN 0.988 nan 8.150 nan 0.000 0.502 458 G N 1.341 110.165 108.800 0.039 0.000 2.195 458 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.246 458 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.246 458 G C 0.167 175.044 174.900 -0.038 0.000 0.984 458 G CA 0.422 45.529 45.100 0.011 0.000 0.633 458 G HN 1.055 nan 8.290 nan 0.000 0.525 459 H N 0.741 119.823 119.070 0.021 0.000 2.519 459 H HA 0.465 5.020 4.556 -0.001 0.000 0.316 459 H C 0.773 176.188 175.328 0.144 0.000 1.065 459 H CA 0.216 56.313 56.048 0.082 0.000 1.264 459 H CB 1.702 31.538 29.762 0.122 0.000 1.413 459 H HN 0.151 nan 8.280 nan 0.000 0.465 460 S N 2.119 117.913 115.700 0.158 0.000 2.489 460 S HA -0.048 4.421 4.470 -0.001 0.000 0.228 460 S C 0.981 175.630 174.600 0.082 0.000 0.995 460 S CA 0.335 58.611 58.200 0.126 0.000 0.934 460 S CB 0.151 63.379 63.200 0.048 0.000 0.771 460 S HN 0.702 nan 8.310 nan 0.000 0.522 461 S N -0.057 115.683 115.700 0.066 0.000 2.634 461 S HA 0.619 5.089 4.470 -0.001 0.000 0.296 461 S C -0.599 173.920 174.600 -0.135 0.000 1.104 461 S CA -0.920 57.229 58.200 -0.084 0.000 0.920 461 S CB 1.554 64.737 63.200 -0.028 0.000 1.111 461 S HN -0.092 nan 8.310 nan 0.000 0.493 462 V N 2.590 122.333 119.914 -0.286 0.000 2.397 462 V HA 0.212 4.331 4.120 -0.001 0.000 0.262 462 V C -0.187 175.921 176.094 0.022 0.000 1.047 462 V CA 0.030 62.190 62.300 -0.233 0.000 1.003 462 V CB -0.020 31.609 31.823 -0.322 0.000 1.037 462 V HN 0.912 nan 8.190 nan 0.000 0.480 463 D N 3.182 123.632 120.400 0.082 0.000 2.433 463 D HA 0.146 4.785 4.640 -0.001 0.000 0.211 463 D C -0.095 176.306 176.300 0.168 0.000 1.114 463 D CA 0.319 54.402 54.000 0.138 0.000 0.837 463 D CB 0.710 41.622 40.800 0.187 0.000 0.984 463 D HN 0.474 nan 8.370 nan 0.000 0.505 464 F N 1.767 121.723 119.950 0.011 0.000 2.467 464 F HA 0.508 5.034 4.527 -0.001 0.000 0.336 464 F C -1.298 174.465 175.800 -0.061 0.000 1.123 464 F CA -1.143 56.837 58.000 -0.035 0.000 0.964 464 F CB 1.400 40.335 39.000 -0.108 0.000 1.136 464 F HN -0.266 nan 8.300 nan 0.000 0.447 465 L N 6.893 127.700 121.223 -0.693 0.000 2.482 465 L HA 0.765 5.105 4.340 -0.001 0.000 0.263 465 L C -1.997 174.315 176.870 -0.931 0.000 0.957 465 L CA -0.537 53.817 54.840 -0.810 0.000 0.836 465 L CB 2.196 43.714 42.059 -0.902 0.000 1.324 465 L HN 0.371 nan 8.230 nan 0.000 0.406 466 V N 5.002 124.406 119.914 -0.851 0.000 2.483 466 V HA 0.599 4.718 4.120 -0.001 0.000 0.297 466 V C -0.272 175.401 176.094 -0.700 0.000 1.027 466 V CA -0.586 61.299 62.300 -0.691 0.000 0.855 466 V CB 1.814 33.277 31.823 -0.600 0.000 0.995 466 V HN 0.728 nan 8.190 nan 0.000 0.424 467 R N 4.858 124.893 120.500 -0.774 0.000 2.368 467 R HA 0.710 5.050 4.340 -0.001 0.000 0.302 467 R C -1.061 175.039 176.300 -0.334 0.000 1.002 467 R CA -0.510 55.094 56.100 -0.826 0.000 0.929 467 R CB 1.769 31.086 30.300 -1.637 0.000 1.073 467 R HN 0.576 nan 8.270 nan 0.000 0.464 468 I N 2.406 122.893 120.570 -0.139 0.000 2.436 468 I HA 0.198 4.367 4.170 -0.001 0.000 0.289 468 I C -0.134 176.104 176.117 0.203 0.000 1.010 468 I CA -1.043 60.271 61.300 0.024 0.000 1.098 468 I CB 2.270 40.181 38.000 -0.148 0.000 1.266 468 I HN 0.252 nan 8.210 nan 0.000 0.434 469 V N 6.124 126.173 119.914 0.224 0.000 2.276 469 V HA 0.684 4.803 4.120 -0.001 0.000 0.249 469 V C 0.702 176.909 176.094 0.189 0.000 1.160 469 V CA 0.124 62.523 62.300 0.166 0.000 1.042 469 V CB -0.683 31.151 31.823 0.018 0.000 1.224 469 V HN 1.080 nan 8.190 nan 0.000 0.496 470 G N 4.003 112.968 108.800 0.274 0.000 2.369 470 G HA2 0.074 4.034 3.960 -0.001 0.000 0.307 470 G HA3 0.074 4.034 3.960 -0.001 0.000 0.307 470 G C -1.240 173.894 174.900 0.389 0.000 1.327 470 G CA -0.937 44.357 45.100 0.324 0.000 0.963 470 G HN 0.391 nan 8.290 nan 0.000 0.590 471 Q N -0.707 119.221 119.800 0.214 0.000 2.312 471 Q HA 0.663 5.003 4.340 -0.001 0.000 0.236 471 Q C 0.112 176.209 176.000 0.161 0.000 0.965 471 Q CA 0.078 55.889 55.803 0.014 0.000 0.894 471 Q CB 1.732 30.289 28.738 -0.302 0.000 1.225 471 Q HN 1.377 nan 8.270 nan 0.000 0.478 472 A N 0.389 123.266 122.820 0.097 0.000 2.547 472 A HA 0.756 5.076 4.320 -0.001 0.000 0.297 472 A C -1.566 176.073 177.584 0.092 0.000 1.056 472 A CA -0.472 51.665 52.037 0.166 0.000 0.688 472 A CB 1.559 20.539 19.000 -0.032 0.000 1.282 472 A HN 0.688 nan 8.150 nan 0.000 0.400 473 A N 0.485 123.373 122.820 0.112 0.000 2.311 473 A HA 0.618 4.938 4.320 -0.001 0.000 0.334 473 A C 0.919 178.485 177.584 -0.030 0.000 1.139 473 A CA -0.008 52.047 52.037 0.029 0.000 0.830 473 A CB 0.935 19.941 19.000 0.011 0.000 1.234 473 A HN 1.043 nan 8.150 nan 0.000 0.483 474 Q N 0.768 120.463 119.800 -0.175 0.000 2.152 474 Q HA -0.186 4.154 4.340 -0.001 0.000 0.206 474 Q C 1.653 177.443 176.000 -0.349 0.000 0.985 474 Q CA 2.311 57.775 55.803 -0.565 0.000 0.863 474 Q CB -0.168 28.024 28.738 -0.909 0.000 0.904 474 Q HN 0.938 nan 8.270 nan 0.000 0.422 475 S N -0.389 115.205 115.700 -0.178 0.000 2.603 475 S HA -0.053 4.417 4.470 -0.001 0.000 0.229 475 S C 0.637 175.240 174.600 0.005 0.000 0.972 475 S CA 0.737 58.885 58.200 -0.086 0.000 0.935 475 S CB 0.164 63.331 63.200 -0.056 0.000 0.769 475 S HN 0.341 nan 8.310 nan 0.000 0.536 476 D N 0.956 121.390 120.400 0.057 0.000 2.367 476 D HA 0.206 4.846 4.640 -0.001 0.000 0.207 476 D C 0.029 176.454 176.300 0.208 0.000 1.034 476 D CA 0.165 54.284 54.000 0.199 0.000 0.861 476 D CB 0.232 41.268 40.800 0.392 0.000 0.943 476 D HN 0.381 nan 8.370 nan 0.000 0.515 477 I N 2.464 123.095 120.570 0.101 0.000 2.304 477 I HA 0.154 4.324 4.170 -0.001 0.000 0.291 477 I C 0.178 176.355 176.117 0.101 0.000 1.018 477 I CA -0.726 60.645 61.300 0.118 0.000 1.260 477 I CB 1.024 39.092 38.000 0.114 0.000 1.390 477 I HN -0.233 nan 8.210 nan 0.000 0.475 478 I N 7.984 128.642 120.570 0.147 0.000 2.308 478 I HA 0.209 4.379 4.170 -0.001 0.000 0.293 478 I C 0.578 176.772 176.117 0.129 0.000 1.078 478 I CA -0.179 61.197 61.300 0.127 0.000 1.292 478 I CB 0.661 38.749 38.000 0.148 0.000 1.423 478 I HN 0.305 nan 8.210 nan 0.000 0.493 479 V N 0.000 119.973 119.914 0.098 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 479 V CA 0.000 62.358 62.300 0.097 0.000 1.235 479 V CB 0.000 31.882 31.823 0.098 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556