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 3k5t_1_A DATA FIRST_RESID 27 DATA SEQUENCE PRKAGVFSDL SNQELKAVHS FLWSKKELRL QPSSTTTMAK NTVFLIEMLL DATA SEQUENCE PKKYHVLRFL DKGERHPVRE ARAVIFFGDQ EHPNVTEFAV GPLPGPCYMR DATA SEQUENCE ALSPRPGYQS SWASRPISTA EYALLYHTLQ EATKPLHQFF LNTTGFSFQD DATA SEQUENCE CHDRCLAFTD VAPRGVASGQ RRSWLIIQRY VEGYFLHPTG LELLVDHGST DATA SEQUENCE DAGHWAVEQV WYNGKFYGSP EELARKYADG EVDVVVLEXX XXXXXXXXXX DATA SEQUENCE XEPPLFSSHK PRGDFPSPIH VSGPRLVQPH GPRFRLEGNA VLYGGWSFAF DATA SEQUENCE RLRSSSGLQV LNVHFGGERI AYEVSVQEAV ALYGGHTPAG MQTKYLDVGW DATA SEQUENCE GLGSVTHELA PGIDcPETAT FLDTFHYYDA DDPVHYPRAL cLFEMPTGVP DATA SEQUENCE LRRHFNSNFK GGFNFYAGLK GQVLVLRTTS TVYNXDYIWD FIFYPNGVME DATA SEQUENCE AKMHATGYVH ATFYTPEGLR HGTRLHTHLI GNIHTHLVHY RVDLDVAGTK DATA SEQUENCE NSFQTLQMKL ENITNPWSPR HRVVQPTLEQ TQYSWERQAA FRFKRKLPKY DATA SEQUENCE LLFTSPQENP WGHKRSYRLQ IHSMADQVLP PGWQEEQAIT WARYPLAVTK DATA SEQUENCE YRESELCSSS IYHQNDPWDP PVVFEQFLHN NENIENEDLV AWVTVGFLHI DATA SEQUENCE PHSEDIPNTA TPGNSVGFLL RPFNFFPEDP SLASRDTVIV WPRDNGPNYV DATA SEQUENCE QRWIPEDRDC SMPPPFSYNG TYRPV 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.301 177.300 0.002 0.000 1.155 27 P CA 0.000 63.088 63.100 -0.021 0.000 0.800 27 P CB 0.000 31.689 31.700 -0.019 0.000 0.726 28 R N 1.506 122.013 120.500 0.011 0.000 2.062 28 R HA 0.031 4.369 4.340 -0.004 0.000 0.226 28 R C 2.278 178.636 176.300 0.096 0.000 1.125 28 R CA 2.708 58.832 56.100 0.040 0.000 0.966 28 R CB -1.485 28.834 30.300 0.032 0.000 0.861 28 R HN 0.753 nan 8.270 nan 0.000 0.433 29 K N 0.209 120.650 120.400 0.069 0.000 2.001 29 K HA 0.160 4.478 4.320 -0.004 0.000 0.208 29 K C 2.346 179.051 176.600 0.176 0.000 1.048 29 K CA 1.330 57.675 56.287 0.097 0.000 0.932 29 K CB -0.378 32.086 32.500 -0.060 0.000 0.715 29 K HN 0.249 nan 8.250 nan 0.000 0.437 30 A N 1.463 124.359 122.820 0.126 0.000 2.172 30 A HA 0.056 4.374 4.320 -0.004 0.000 0.216 30 A C 2.371 180.032 177.584 0.128 0.000 1.154 30 A CA 1.142 53.303 52.037 0.206 0.000 0.701 30 A CB -1.245 17.805 19.000 0.083 0.000 0.789 30 A HN 0.545 nan 8.150 nan 0.000 0.465 31 G N -0.541 108.293 108.800 0.056 0.000 2.485 31 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.221 31 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.221 31 G C 1.524 176.388 174.900 -0.061 0.000 1.115 31 G CA 1.128 46.226 45.100 -0.003 0.000 0.751 31 G HN 0.477 nan 8.290 nan 0.000 0.567 32 V N -0.085 119.751 119.914 -0.131 0.000 2.490 32 V HA -0.021 4.097 4.120 -0.004 0.000 0.250 32 V C 2.078 177.983 176.094 -0.316 0.000 1.061 32 V CA 1.429 63.542 62.300 -0.311 0.000 1.064 32 V CB -0.389 31.161 31.823 -0.456 0.000 0.670 32 V HN 0.344 nan 8.190 nan 0.000 0.461 33 F N 1.064 121.021 119.950 0.012 0.000 2.773 33 F HA 0.275 4.800 4.527 -0.003 0.000 0.304 33 F C 1.366 177.141 175.800 -0.041 0.000 1.129 33 F CA 0.297 58.288 58.000 -0.016 0.000 1.378 33 F CB -0.657 38.313 39.000 -0.049 0.000 1.095 33 F HN 0.207 nan 8.300 nan 0.000 0.565 34 S N -0.619 115.124 115.700 0.072 0.000 2.562 34 S HA 0.223 4.690 4.470 -0.004 0.000 0.275 34 S C -0.049 174.574 174.600 0.039 0.000 1.281 34 S CA -1.111 57.100 58.200 0.017 0.000 1.045 34 S CB 1.104 64.291 63.200 -0.022 0.000 0.962 34 S HN 0.027 nan 8.310 nan 0.000 0.503 35 D N 1.394 121.825 120.400 0.053 0.000 2.354 35 D HA 0.150 4.788 4.640 -0.004 0.000 0.238 35 D C 0.332 176.671 176.300 0.065 0.000 1.250 35 D CA 0.047 54.096 54.000 0.081 0.000 0.911 35 D CB 0.397 41.263 40.800 0.111 0.000 1.163 35 D HN 0.536 nan 8.370 nan 0.000 0.456 36 L N 1.134 122.402 121.223 0.075 0.000 2.410 36 L HA 0.056 4.394 4.340 -0.004 0.000 0.273 36 L C 1.240 178.136 176.870 0.043 0.000 1.152 36 L CA -0.372 54.496 54.840 0.046 0.000 0.855 36 L CB 0.602 42.691 42.059 0.049 0.000 1.129 36 L HN 0.371 nan 8.230 nan 0.000 0.463 37 S N 1.571 117.268 115.700 -0.005 0.000 2.589 37 S HA -0.034 4.434 4.470 -0.004 0.000 0.265 37 S C 0.997 175.492 174.600 -0.175 0.000 1.342 37 S CA -0.347 57.820 58.200 -0.055 0.000 1.005 37 S CB 0.847 64.006 63.200 -0.068 0.000 0.909 37 S HN 0.719 nan 8.310 nan 0.000 0.555 38 N N 1.797 120.222 118.700 -0.458 0.000 2.037 38 N HA -0.239 4.498 4.740 -0.004 0.000 0.196 38 N C 2.457 177.769 175.510 -0.331 0.000 1.034 38 N CA 2.786 55.401 53.050 -0.725 0.000 0.861 38 N CB -1.294 36.455 38.487 -1.230 0.000 1.039 38 N HN 0.885 nan 8.380 nan 0.000 0.427 39 Q N 0.508 120.166 119.800 -0.237 0.000 2.096 39 Q HA -0.156 4.182 4.340 -0.004 0.000 0.204 39 Q C 2.172 178.108 176.000 -0.105 0.000 0.982 39 Q CA 2.040 57.759 55.803 -0.140 0.000 0.850 39 Q CB -1.082 27.594 28.738 -0.104 0.000 0.901 39 Q HN 0.758 nan 8.270 nan 0.000 0.422 40 E N -0.016 120.125 120.200 -0.098 0.000 2.077 40 E HA -0.069 4.278 4.350 -0.004 0.000 0.193 40 E C 2.176 178.736 176.600 -0.066 0.000 0.989 40 E CA 1.110 57.466 56.400 -0.073 0.000 0.800 40 E CB -0.141 29.525 29.700 -0.057 0.000 0.746 40 E HN 0.640 nan 8.360 nan 0.000 0.452 41 L N 0.782 121.962 121.223 -0.072 0.000 2.027 41 L HA -0.187 4.151 4.340 -0.004 0.000 0.206 41 L C 2.373 179.187 176.870 -0.094 0.000 1.074 41 L CA 1.214 56.011 54.840 -0.072 0.000 0.745 41 L CB -0.326 41.716 42.059 -0.029 0.000 0.898 41 L HN 0.012 nan 8.230 nan 0.000 0.433 42 K N 0.153 120.500 120.400 -0.090 0.000 2.063 42 K HA -0.181 4.137 4.320 -0.004 0.000 0.208 42 K C 2.240 178.840 176.600 -0.000 0.000 1.048 42 K CA 1.422 57.674 56.287 -0.057 0.000 0.928 42 K CB -0.293 32.166 32.500 -0.067 0.000 0.713 42 K HN 0.309 nan 8.250 nan 0.000 0.442 43 A N 1.021 123.828 122.820 -0.022 0.000 1.845 43 A HA -0.138 4.180 4.320 -0.004 0.000 0.215 43 A C 2.382 179.985 177.584 0.032 0.000 1.195 43 A CA 1.599 53.633 52.037 -0.005 0.000 0.616 43 A CB -0.816 18.157 19.000 -0.046 0.000 0.832 43 A HN 0.072 nan 8.150 nan 0.000 0.443 44 V N 0.060 119.975 119.914 0.002 0.000 2.392 44 V HA -0.304 3.814 4.120 -0.004 0.000 0.249 44 V C 2.529 178.672 176.094 0.081 0.000 1.059 44 V CA 2.284 64.607 62.300 0.038 0.000 1.051 44 V CB -1.100 30.717 31.823 -0.009 0.000 0.658 44 V HN 0.752 nan 8.190 nan 0.000 0.455 45 H N 0.534 119.553 119.070 -0.084 0.000 2.299 45 H HA -0.115 4.439 4.556 -0.003 0.000 0.302 45 H C 2.487 177.797 175.328 -0.030 0.000 1.078 45 H CA 2.001 57.979 56.048 -0.117 0.000 1.323 45 H CB 0.074 29.708 29.762 -0.214 0.000 1.381 45 H HN 0.474 nan 8.280 nan 0.000 0.498 46 S N 0.830 116.608 115.700 0.129 0.000 2.359 46 S HA -0.177 4.291 4.470 -0.004 0.000 0.224 46 S C 1.976 176.601 174.600 0.041 0.000 1.035 46 S CA 1.364 59.614 58.200 0.084 0.000 1.018 46 S CB -0.807 62.444 63.200 0.085 0.000 0.876 46 S HN 0.433 nan 8.310 nan 0.000 0.448 47 F N 2.610 122.522 119.950 -0.064 0.000 2.043 47 F HA -0.148 4.377 4.527 -0.004 0.000 0.297 47 F C 1.853 177.595 175.800 -0.096 0.000 1.121 47 F CA 1.416 59.370 58.000 -0.077 0.000 1.199 47 F CB -0.605 38.342 39.000 -0.087 0.000 0.968 47 F HN 0.081 nan 8.300 nan 0.000 0.478 48 L N -1.141 119.931 121.223 -0.252 0.000 2.141 48 L HA -0.186 4.152 4.340 -0.004 0.000 0.209 48 L C 3.086 179.768 176.870 -0.313 0.000 1.094 48 L CA 1.659 56.277 54.840 -0.369 0.000 0.763 48 L CB -1.677 40.257 42.059 -0.209 0.000 0.908 48 L HN 0.492 nan 8.230 nan 0.000 0.437 49 W N 0.191 121.332 121.300 -0.265 0.000 2.425 49 W HA -0.168 4.490 4.660 -0.004 0.000 0.277 49 W C 2.861 179.298 176.519 -0.137 0.000 1.231 49 W CA 1.050 58.286 57.345 -0.182 0.000 1.248 49 W CB -1.222 28.163 29.460 -0.125 0.000 1.117 49 W HN 0.390 nan 8.180 nan 0.000 0.568 50 S N 0.221 115.821 115.700 -0.167 0.000 2.453 50 S HA -0.045 4.423 4.470 -0.004 0.000 0.231 50 S C 0.847 175.346 174.600 -0.168 0.000 1.005 50 S CA 1.110 59.227 58.200 -0.138 0.000 0.949 50 S CB -0.602 62.526 63.200 -0.121 0.000 0.774 50 S HN 0.523 nan 8.310 nan 0.000 0.510 51 K N 1.902 122.152 120.400 -0.250 0.000 2.171 51 K HA 0.307 4.625 4.320 -0.004 0.000 0.274 51 K C 1.315 177.842 176.600 -0.121 0.000 1.110 51 K CA 0.259 56.420 56.287 -0.210 0.000 0.952 51 K CB 0.756 33.078 32.500 -0.297 0.000 1.309 51 K HN 0.409 nan 8.250 nan 0.000 0.414 52 K N 3.050 123.402 120.400 -0.080 0.000 2.147 52 K HA -0.167 4.151 4.320 -0.004 0.000 0.205 52 K C 1.637 178.221 176.600 -0.027 0.000 1.049 52 K CA 1.698 57.959 56.287 -0.044 0.000 0.936 52 K CB -0.493 31.989 32.500 -0.031 0.000 0.722 52 K HN 0.738 nan 8.250 nan 0.000 0.446 53 E N 1.062 121.242 120.200 -0.034 0.000 2.333 53 E HA -0.147 4.201 4.350 -0.004 0.000 0.198 53 E C 1.833 178.433 176.600 0.001 0.000 1.007 53 E CA 1.120 57.507 56.400 -0.022 0.000 0.845 53 E CB -0.484 29.197 29.700 -0.032 0.000 0.766 53 E HN 0.620 nan 8.360 nan 0.000 0.507 54 L N -0.019 121.212 121.223 0.013 0.000 2.217 54 L HA -0.035 4.303 4.340 -0.004 0.000 0.211 54 L C 2.050 178.991 176.870 0.118 0.000 1.107 54 L CA 1.136 56.038 54.840 0.103 0.000 0.783 54 L CB -1.002 41.099 42.059 0.069 0.000 0.919 54 L HN 0.274 nan 8.230 nan 0.000 0.442 55 R N 0.313 120.847 120.500 0.056 0.000 3.422 55 R HA -0.192 4.146 4.340 -0.004 0.000 0.267 55 R C 0.036 176.383 176.300 0.078 0.000 1.074 55 R CA 1.148 57.282 56.100 0.057 0.000 0.718 55 R CB -3.350 26.986 30.300 0.060 0.000 1.157 55 R HN 0.343 nan 8.270 nan 0.000 0.440 56 L N -0.048 121.211 121.223 0.060 0.000 2.461 56 L HA 0.292 4.630 4.340 -0.004 0.000 0.272 56 L C 1.108 178.023 176.870 0.075 0.000 1.197 56 L CA 0.356 55.236 54.840 0.066 0.000 0.836 56 L CB 1.153 43.218 42.059 0.009 0.000 1.105 56 L HN 0.694 nan 8.230 nan 0.000 0.477 57 Q N 2.567 122.429 119.800 0.103 0.000 2.423 57 Q HA 0.445 4.783 4.340 -0.004 0.000 0.278 57 Q C -2.408 173.675 176.000 0.139 0.000 1.097 57 Q CA -1.945 53.924 55.803 0.111 0.000 0.809 57 Q CB 2.434 31.237 28.738 0.110 0.000 1.391 57 Q HN 0.337 nan 8.270 nan 0.000 0.428 58 P HA -0.063 nan 4.420 nan 0.000 0.269 58 P C 0.331 177.717 177.300 0.144 0.000 1.215 58 P CA 0.112 63.310 63.100 0.163 0.000 0.780 58 P CB 0.673 32.455 31.700 0.137 0.000 0.898 59 S N 0.622 116.403 115.700 0.135 0.000 2.440 59 S HA -0.180 4.287 4.470 -0.004 0.000 0.238 59 S C 1.624 176.299 174.600 0.124 0.000 1.010 59 S CA 1.559 59.829 58.200 0.116 0.000 0.972 59 S CB -1.459 61.769 63.200 0.046 0.000 0.774 59 S HN 0.537 nan 8.310 nan 0.000 0.501 60 S N 0.835 116.601 115.700 0.110 0.000 2.453 60 S HA 0.014 4.481 4.470 -0.004 0.000 0.231 60 S C 0.884 175.547 174.600 0.105 0.000 1.005 60 S CA 0.466 58.729 58.200 0.105 0.000 0.949 60 S CB -1.305 61.948 63.200 0.087 0.000 0.774 60 S HN 0.503 nan 8.310 nan 0.000 0.510 61 T N 3.923 118.541 114.554 0.107 0.000 2.923 61 T HA 0.108 4.456 4.350 -0.004 0.000 0.304 61 T C 0.997 175.758 174.700 0.102 0.000 1.044 61 T CA 1.054 63.213 62.100 0.098 0.000 1.141 61 T CB 0.517 69.447 68.868 0.103 0.000 1.023 61 T HN 0.593 nan 8.240 nan 0.000 0.533 62 T N 0.314 114.915 114.554 0.078 0.000 3.624 62 T HA 0.346 4.694 4.350 -0.004 0.000 0.231 62 T C 0.294 175.023 174.700 0.049 0.000 0.865 62 T CA -0.618 61.523 62.100 0.069 0.000 0.926 62 T CB -0.331 68.564 68.868 0.046 0.000 1.189 62 T HN 0.579 nan 8.240 nan 0.000 0.640 63 T N 0.592 115.193 114.554 0.079 0.000 2.923 63 T HA 0.450 4.798 4.350 -0.004 0.000 0.311 63 T C 0.795 175.588 174.700 0.154 0.000 1.183 63 T CA -0.854 61.288 62.100 0.070 0.000 1.020 63 T CB 1.271 70.169 68.868 0.050 0.000 1.165 63 T HN 0.043 nan 8.240 nan 0.000 0.482 64 M N 2.120 121.832 119.600 0.188 0.000 2.419 64 M HA 0.242 4.719 4.480 -0.004 0.000 0.264 64 M C 1.620 178.109 176.300 0.316 0.000 1.082 64 M CA 0.540 56.042 55.300 0.338 0.000 1.119 64 M CB -1.163 31.715 32.600 0.463 0.000 1.398 64 M HN 0.731 nan 8.290 nan 0.000 0.453 65 A N 2.244 125.166 122.820 0.170 0.000 3.052 65 A HA 0.440 4.757 4.320 -0.004 0.000 0.266 65 A C 0.516 178.166 177.584 0.109 0.000 1.855 65 A CA 0.413 52.506 52.037 0.094 0.000 1.473 65 A CB -1.383 17.634 19.000 0.030 0.000 1.038 65 A HN 0.378 nan 8.150 nan 0.000 0.619 66 K N 0.998 121.504 120.400 0.176 0.000 2.542 66 K HA 0.576 4.894 4.320 -0.004 0.000 0.259 66 K C -1.144 175.612 176.600 0.260 0.000 0.932 66 K CA -0.891 55.513 56.287 0.195 0.000 0.820 66 K CB 0.779 33.402 32.500 0.205 0.000 1.345 66 K HN 0.396 nan 8.250 nan 0.000 0.432 67 N N 1.392 120.229 118.700 0.229 0.000 2.419 67 N HA 0.553 5.291 4.740 -0.004 0.000 0.264 67 N C -0.715 174.912 175.510 0.196 0.000 1.031 67 N CA -0.137 53.070 53.050 0.261 0.000 0.951 67 N CB 1.851 40.523 38.487 0.308 0.000 1.101 67 N HN 0.705 nan 8.380 nan 0.000 0.488 68 T N 0.194 114.860 114.554 0.187 0.000 2.900 68 T HA 0.426 4.774 4.350 -0.004 0.000 0.303 68 T C -1.115 173.627 174.700 0.071 0.000 1.142 68 T CA -0.592 61.591 62.100 0.137 0.000 1.007 68 T CB 0.905 69.873 68.868 0.166 0.000 1.156 68 T HN 0.041 nan 8.240 nan 0.000 0.490 69 V N 5.573 125.548 119.914 0.101 0.000 2.353 69 V HA 0.333 4.451 4.120 -0.004 0.000 0.264 69 V C 0.650 176.845 176.094 0.168 0.000 1.049 69 V CA -0.280 62.108 62.300 0.147 0.000 0.896 69 V CB 0.208 32.137 31.823 0.177 0.000 1.025 69 V HN 0.920 nan 8.190 nan 0.000 0.475 70 F N 5.818 125.633 119.950 -0.226 0.000 2.374 70 F HA 0.427 4.952 4.527 -0.003 0.000 0.291 70 F C 0.279 175.866 175.800 -0.356 0.000 1.084 70 F CA 0.524 58.203 58.000 -0.534 0.000 1.413 70 F CB 0.599 38.835 39.000 -1.274 0.000 1.099 70 F HN 0.393 nan 8.300 nan 0.000 0.534 71 L N 1.169 122.371 121.223 -0.036 0.000 2.482 71 L HA 0.587 4.924 4.340 -0.004 0.000 0.263 71 L C -1.670 175.381 176.870 0.302 0.000 0.957 71 L CA -0.910 53.963 54.840 0.055 0.000 0.836 71 L CB 1.977 44.075 42.059 0.064 0.000 1.324 71 L HN -0.007 nan 8.230 nan 0.000 0.406 72 I N 4.119 124.927 120.570 0.396 0.000 2.499 72 I HA 0.585 4.753 4.170 -0.004 0.000 0.288 72 I C -0.930 175.326 176.117 0.232 0.000 1.048 72 I CA -0.319 61.132 61.300 0.252 0.000 1.062 72 I CB 2.108 40.161 38.000 0.087 0.000 1.238 72 I HN 0.801 nan 8.210 nan 0.000 0.426 73 E N 5.883 126.194 120.200 0.184 0.000 2.445 73 E HA 0.428 4.775 4.350 -0.004 0.000 0.279 73 E C -1.121 175.560 176.600 0.134 0.000 1.018 73 E CA -1.094 55.407 56.400 0.168 0.000 0.816 73 E CB 2.008 31.813 29.700 0.176 0.000 1.356 73 E HN 0.337 nan 8.360 nan 0.000 0.462 74 M N 2.353 122.025 119.600 0.120 0.000 2.217 74 M HA 0.173 4.651 4.480 -0.004 0.000 0.352 74 M C -1.202 175.167 176.300 0.116 0.000 1.376 74 M CA -0.496 54.863 55.300 0.099 0.000 1.107 74 M CB 0.361 33.012 32.600 0.085 0.000 1.723 74 M HN 0.681 nan 8.290 nan 0.000 0.461 75 L N 7.953 129.244 121.223 0.112 0.000 2.270 75 L HA 0.317 4.654 4.340 -0.004 0.000 0.286 75 L C -0.821 176.124 176.870 0.126 0.000 1.059 75 L CA -0.443 54.475 54.840 0.131 0.000 0.839 75 L CB 0.353 42.497 42.059 0.142 0.000 1.221 75 L HN 0.739 nan 8.230 nan 0.000 0.431 76 L N 8.094 129.404 121.223 0.145 0.000 2.559 76 L HA 0.247 4.585 4.340 -0.004 0.000 0.282 76 L C -1.881 175.086 176.870 0.162 0.000 1.232 76 L CA -0.296 54.639 54.840 0.158 0.000 0.885 76 L CB -0.310 41.879 42.059 0.217 0.000 1.131 76 L HN 0.544 nan 8.230 nan 0.000 0.498 77 P HA 0.129 nan 4.420 nan 0.000 0.273 77 P C -1.107 176.325 177.300 0.219 0.000 1.250 77 P CA -0.477 62.711 63.100 0.147 0.000 0.793 77 P CB 0.321 32.072 31.700 0.083 0.000 1.011 78 K N 0.775 121.326 120.400 0.252 0.000 2.485 78 K HA -0.046 4.272 4.320 -0.004 0.000 0.277 78 K C 1.374 178.114 176.600 0.234 0.000 0.990 78 K CA 0.119 56.568 56.287 0.270 0.000 0.994 78 K CB 0.321 33.009 32.500 0.313 0.000 0.906 78 K HN 0.393 nan 8.250 nan 0.000 0.488 79 K N 2.372 122.875 120.400 0.171 0.000 2.097 79 K HA -0.233 4.084 4.320 -0.004 0.000 0.206 79 K C 1.825 178.388 176.600 -0.062 0.000 1.049 79 K CA 1.419 57.669 56.287 -0.062 0.000 0.933 79 K CB -0.105 32.112 32.500 -0.472 0.000 0.717 79 K HN 0.623 nan 8.250 nan 0.000 0.442 80 Y N 1.443 121.661 120.300 -0.138 0.000 2.081 80 Y HA -0.330 4.217 4.550 -0.003 0.000 0.280 80 Y C 2.219 178.039 175.900 -0.132 0.000 1.163 80 Y CA 2.152 60.141 58.100 -0.185 0.000 1.135 80 Y CB -0.486 37.812 38.460 -0.271 0.000 0.970 80 Y HN 0.244 nan 8.280 nan 0.000 0.498 81 H N -1.245 117.803 119.070 -0.035 0.000 2.389 81 H HA -0.088 4.465 4.556 -0.004 0.000 0.299 81 H C 2.551 177.865 175.328 -0.023 0.000 1.081 81 H CA 1.638 57.622 56.048 -0.106 0.000 1.345 81 H CB -0.591 29.191 29.762 0.033 0.000 1.393 81 H HN 0.343 nan 8.280 nan 0.000 0.520 82 V N 1.298 121.311 119.914 0.165 0.000 2.343 82 V HA -0.214 3.904 4.120 -0.004 0.000 0.247 82 V C 2.768 178.990 176.094 0.213 0.000 1.051 82 V CA 1.226 63.654 62.300 0.213 0.000 1.036 82 V CB -0.552 31.440 31.823 0.281 0.000 0.654 82 V HN 0.253 nan 8.190 nan 0.000 0.451 83 L N -0.808 120.468 121.223 0.087 0.000 2.093 83 L HA -0.122 4.215 4.340 -0.004 0.000 0.208 83 L C 2.755 179.613 176.870 -0.020 0.000 1.085 83 L CA 1.412 56.276 54.840 0.040 0.000 0.755 83 L CB -0.483 41.546 42.059 -0.049 0.000 0.904 83 L HN 0.221 nan 8.230 nan 0.000 0.435 84 R N -0.775 119.667 120.500 -0.098 0.000 2.092 84 R HA -0.188 4.149 4.340 -0.004 0.000 0.231 84 R C 2.239 178.554 176.300 0.026 0.000 1.119 84 R CA 1.524 57.566 56.100 -0.097 0.000 0.970 84 R CB -0.351 29.813 30.300 -0.227 0.000 0.864 84 R HN 0.228 nan 8.270 nan 0.000 0.440 85 F N 1.033 120.951 119.950 -0.053 0.000 2.186 85 F HA -0.091 4.434 4.527 -0.004 0.000 0.299 85 F C 1.621 177.414 175.800 -0.013 0.000 1.090 85 F CA 1.336 59.316 58.000 -0.033 0.000 1.307 85 F CB -0.139 38.836 39.000 -0.042 0.000 1.019 85 F HN -0.106 nan 8.300 nan 0.000 0.489 86 L N -0.462 120.589 121.223 -0.288 0.000 2.162 86 L HA -0.059 4.279 4.340 -0.004 0.000 0.205 86 L C 1.705 178.469 176.870 -0.176 0.000 1.086 86 L CA 1.108 55.744 54.840 -0.340 0.000 0.778 86 L CB -0.361 41.677 42.059 -0.034 0.000 0.928 86 L HN 0.092 nan 8.230 nan 0.000 0.446 87 D N -0.912 119.437 120.400 -0.084 0.000 2.597 87 D HA 0.008 4.646 4.640 -0.004 0.000 0.261 87 D C 1.975 178.247 176.300 -0.046 0.000 1.023 87 D CA 0.798 54.774 54.000 -0.040 0.000 0.927 87 D CB 0.270 41.070 40.800 -0.000 0.000 1.168 87 D HN 0.090 nan 8.370 nan 0.000 0.491 88 K N 1.020 121.392 120.400 -0.047 0.000 2.476 88 K HA 0.356 4.674 4.320 -0.004 0.000 0.196 88 K C 1.338 177.923 176.600 -0.026 0.000 1.025 88 K CA 0.603 56.870 56.287 -0.033 0.000 1.138 88 K CB -0.841 31.636 32.500 -0.038 0.000 0.860 88 K HN 0.247 nan 8.250 nan 0.000 0.515 89 G N 1.319 110.090 108.800 -0.047 0.000 2.258 89 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.274 89 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.274 89 G C 0.079 174.996 174.900 0.028 0.000 1.021 89 G CA 0.521 45.601 45.100 -0.033 0.000 0.798 89 G HN 0.598 nan 8.290 nan 0.000 0.507 90 E N -0.330 119.908 120.200 0.063 0.000 2.359 90 E HA 0.647 4.995 4.350 -0.004 0.000 0.255 90 E C 1.265 177.968 176.600 0.173 0.000 1.191 90 E CA -0.073 56.383 56.400 0.093 0.000 0.952 90 E CB 0.188 29.927 29.700 0.065 0.000 1.152 90 E HN 0.763 nan 8.360 nan 0.000 0.496 91 R N -0.370 120.191 120.500 0.102 0.000 2.678 91 R HA 0.097 4.435 4.340 -0.004 0.000 0.264 91 R C 0.753 177.057 176.300 0.007 0.000 0.995 91 R CA 1.191 57.323 56.100 0.054 0.000 1.098 91 R CB -1.866 28.433 30.300 -0.003 0.000 0.949 91 R HN 0.709 nan 8.270 nan 0.000 0.422 92 H N 3.212 122.177 119.070 -0.176 0.000 2.929 92 H HA 0.402 4.956 4.556 -0.004 0.000 0.317 92 H C -1.676 173.397 175.328 -0.425 0.000 1.031 92 H CA -1.213 54.440 56.048 -0.658 0.000 1.466 92 H CB -0.189 29.205 29.762 -0.614 0.000 1.482 92 H HN 0.869 nan 8.280 nan 0.000 0.561 93 P HA 0.161 nan 4.420 nan 0.000 0.271 93 P C -0.040 177.132 177.300 -0.214 0.000 1.216 93 P CA -0.380 62.575 63.100 -0.240 0.000 0.776 93 P CB 0.858 32.473 31.700 -0.141 0.000 0.881 94 V N 3.776 123.600 119.914 -0.149 0.000 2.814 94 V HA -0.048 4.070 4.120 -0.004 0.000 0.307 94 V C 1.355 177.404 176.094 -0.075 0.000 1.089 94 V CA 0.432 62.675 62.300 -0.096 0.000 1.212 94 V CB -0.480 31.321 31.823 -0.037 0.000 0.912 94 V HN 0.577 nan 8.190 nan 0.000 0.497 95 R N 3.449 123.900 120.500 -0.080 0.000 2.368 95 R HA 0.528 4.866 4.340 -0.004 0.000 0.302 95 R C -0.459 175.815 176.300 -0.043 0.000 1.002 95 R CA -0.399 55.661 56.100 -0.067 0.000 0.929 95 R CB 0.940 31.186 30.300 -0.091 0.000 1.073 95 R HN 0.854 nan 8.270 nan 0.000 0.464 96 E N 1.707 121.903 120.200 -0.007 0.000 2.331 96 E HA 0.418 4.765 4.350 -0.004 0.000 0.275 96 E C -1.441 175.181 176.600 0.037 0.000 0.895 96 E CA -0.964 55.448 56.400 0.019 0.000 0.753 96 E CB 2.193 31.949 29.700 0.093 0.000 1.216 96 E HN 0.702 nan 8.360 nan 0.000 0.434 97 A N 2.675 125.512 122.820 0.029 0.000 2.310 97 A HA 0.479 4.797 4.320 -0.004 0.000 0.299 97 A C -0.208 177.454 177.584 0.130 0.000 1.147 97 A CA -0.451 51.626 52.037 0.068 0.000 0.818 97 A CB 0.754 19.777 19.000 0.038 0.000 1.096 97 A HN 0.595 nan 8.150 nan 0.000 0.495 98 R N 1.535 122.127 120.500 0.153 0.000 2.349 98 R HA 0.585 4.923 4.340 -0.004 0.000 0.299 98 R C -0.756 175.671 176.300 0.211 0.000 1.027 98 R CA -0.016 56.201 56.100 0.194 0.000 0.958 98 R CB 0.973 31.387 30.300 0.190 0.000 1.047 98 R HN 0.814 nan 8.270 nan 0.000 0.468 99 A N 4.854 127.832 122.820 0.264 0.000 2.410 99 A HA 0.338 4.656 4.320 -0.004 0.000 0.289 99 A C -1.012 176.768 177.584 0.326 0.000 1.200 99 A CA -0.676 51.524 52.037 0.272 0.000 0.751 99 A CB 1.464 20.618 19.000 0.256 0.000 1.161 99 A HN 0.491 nan 8.150 nan 0.000 0.459 100 V N 4.697 124.781 119.914 0.284 0.000 2.372 100 V HA 0.238 4.356 4.120 -0.004 0.000 0.261 100 V C 0.059 176.297 176.094 0.241 0.000 1.055 100 V CA 0.204 62.685 62.300 0.302 0.000 0.930 100 V CB 0.223 32.244 31.823 0.329 0.000 1.031 100 V HN 0.703 nan 8.190 nan 0.000 0.479 101 I N 5.297 126.004 120.570 0.228 0.000 2.336 101 I HA 0.398 4.566 4.170 -0.004 0.000 0.292 101 I C -0.466 175.717 176.117 0.110 0.000 0.991 101 I CA -0.441 60.877 61.300 0.030 0.000 1.227 101 I CB 1.356 39.226 38.000 -0.217 0.000 1.366 101 I HN 0.339 nan 8.210 nan 0.000 0.466 102 F N 5.758 125.683 119.950 -0.043 0.000 2.424 102 F HA 0.271 4.796 4.527 -0.003 0.000 0.356 102 F C 0.139 175.994 175.800 0.092 0.000 1.110 102 F CA -0.801 57.286 58.000 0.144 0.000 1.161 102 F CB 0.324 39.462 39.000 0.230 0.000 1.115 102 F HN 0.252 nan 8.300 nan 0.000 0.507 103 F N 2.041 122.294 119.950 0.506 0.000 2.578 103 F HA 0.318 4.844 4.527 -0.003 0.000 0.314 103 F C 1.469 177.198 175.800 -0.119 0.000 1.225 103 F CA -0.836 57.283 58.000 0.199 0.000 1.215 103 F CB 0.215 39.301 39.000 0.144 0.000 1.448 103 F HN 0.594 nan 8.300 nan 0.000 0.548 104 G N -0.335 108.499 108.800 0.056 0.000 2.443 104 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.219 104 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.219 104 G C 0.713 175.496 174.900 -0.194 0.000 1.131 104 G CA 0.289 45.162 45.100 -0.379 0.000 0.775 104 G HN 0.363 nan 8.290 nan 0.000 0.547 105 D N 0.485 120.887 120.400 0.004 0.000 2.896 105 D HA 0.257 4.895 4.640 -0.004 0.000 0.240 105 D C 0.458 176.739 176.300 -0.031 0.000 1.193 105 D CA -0.326 53.676 54.000 0.004 0.000 0.983 105 D CB -0.490 40.351 40.800 0.067 0.000 1.074 105 D HN 0.564 nan 8.370 nan 0.000 0.496 106 Q N -1.918 117.819 119.800 -0.105 0.000 2.633 106 Q HA 0.434 4.772 4.340 -0.004 0.000 0.289 106 Q C 0.772 176.667 176.000 -0.174 0.000 0.940 106 Q CA -0.704 55.031 55.803 -0.113 0.000 0.785 106 Q CB 0.330 29.010 28.738 -0.098 0.000 1.467 106 Q HN -0.117 nan 8.270 nan 0.000 0.401 107 E N 1.132 121.224 120.200 -0.180 0.000 2.086 107 E HA -0.182 4.166 4.350 -0.004 0.000 0.205 107 E C 0.181 176.487 176.600 -0.490 0.000 1.027 107 E CA 2.212 58.421 56.400 -0.317 0.000 0.830 107 E CB -0.758 28.752 29.700 -0.316 0.000 0.751 107 E HN 0.588 nan 8.360 nan 0.000 0.456 108 H N 0.259 119.250 119.070 -0.131 0.000 2.697 108 H HA 0.365 4.918 4.556 -0.004 0.000 0.270 108 H C -2.503 172.707 175.328 -0.197 0.000 1.188 108 H CA -2.473 53.488 56.048 -0.145 0.000 1.322 108 H CB 0.964 30.667 29.762 -0.098 0.000 1.405 108 H HN 0.213 nan 8.280 nan 0.000 0.502 109 P HA -0.034 nan 4.420 nan 0.000 0.267 109 P C 0.147 177.346 177.300 -0.169 0.000 1.200 109 P CA 0.205 62.975 63.100 -0.549 0.000 0.772 109 P CB 0.803 31.566 31.700 -1.561 0.000 0.855 110 N N -0.103 118.656 118.700 0.098 0.000 3.020 110 N HA 0.425 5.162 4.740 -0.004 0.000 0.248 110 N C -1.955 173.864 175.510 0.515 0.000 1.480 110 N CA -0.867 52.394 53.050 0.351 0.000 0.874 110 N CB 0.681 39.312 38.487 0.240 0.000 1.433 110 N HN -0.010 nan 8.380 nan 0.000 0.530 111 V N -0.065 120.071 119.914 0.370 0.000 2.459 111 V HA 0.722 4.840 4.120 -0.004 0.000 0.295 111 V C -0.349 175.908 176.094 0.273 0.000 1.029 111 V CA -0.314 62.183 62.300 0.329 0.000 0.874 111 V CB 1.178 33.169 31.823 0.281 0.000 0.985 111 V HN 0.841 nan 8.190 nan 0.000 0.438 112 T N 3.795 118.512 114.554 0.272 0.000 2.900 112 T HA 0.533 4.881 4.350 -0.004 0.000 0.295 112 T C -0.741 173.982 174.700 0.039 0.000 1.044 112 T CA -0.693 61.488 62.100 0.135 0.000 0.995 112 T CB 2.048 71.086 68.868 0.283 0.000 1.072 112 T HN 0.719 nan 8.240 nan 0.000 0.473 113 E N 0.865 120.968 120.200 -0.162 0.000 2.235 113 E HA 0.673 5.021 4.350 -0.004 0.000 0.265 113 E C -1.399 174.968 176.600 -0.389 0.000 0.940 113 E CA -0.752 55.617 56.400 -0.051 0.000 0.819 113 E CB 1.974 31.740 29.700 0.110 0.000 1.206 113 E HN 0.429 nan 8.360 nan 0.000 0.409 114 F N 0.140 120.210 119.950 0.201 0.000 2.588 114 F HA 0.367 4.892 4.527 -0.004 0.000 0.314 114 F C -0.381 175.538 175.800 0.198 0.000 1.134 114 F CA -0.928 57.194 58.000 0.204 0.000 0.961 114 F CB 1.808 40.935 39.000 0.213 0.000 1.239 114 F HN 0.456 nan 8.300 nan 0.000 0.448 115 A N 3.252 126.305 122.820 0.388 0.000 2.343 115 A HA 0.618 4.936 4.320 -0.004 0.000 0.305 115 A C -0.761 177.047 177.584 0.373 0.000 1.308 115 A CA -0.406 51.830 52.037 0.330 0.000 0.949 115 A CB -0.251 18.928 19.000 0.299 0.000 1.148 115 A HN 0.507 nan 8.150 nan 0.000 0.545 116 V N 3.003 123.044 119.914 0.212 0.000 2.383 116 V HA 0.752 4.870 4.120 -0.004 0.000 0.275 116 V C 0.807 176.743 176.094 -0.264 0.000 1.036 116 V CA 0.466 62.768 62.300 0.004 0.000 0.889 116 V CB 0.737 32.589 31.823 0.049 0.000 0.985 116 V HN 1.162 nan 8.190 nan 0.000 0.459 117 G N 5.711 114.017 108.800 -0.824 0.000 2.600 117 G HA2 0.706 4.664 3.960 -0.004 0.000 0.293 117 G HA3 0.706 4.664 3.960 -0.004 0.000 0.293 117 G C -3.428 170.702 174.900 -1.284 0.000 1.408 117 G CA -1.022 43.584 45.100 -0.824 0.000 0.782 117 G HN 0.463 nan 8.290 nan 0.000 0.482 118 P HA 0.512 nan 4.420 nan 0.000 0.279 118 P C -0.742 176.404 177.300 -0.257 0.000 1.252 118 P CA -0.463 62.475 63.100 -0.271 0.000 0.811 118 P CB 1.769 33.401 31.700 -0.113 0.000 1.035 119 L N 2.568 123.686 121.223 -0.175 0.000 2.313 119 L HA 0.450 4.788 4.340 -0.004 0.000 0.283 119 L C -1.717 175.084 176.870 -0.115 0.000 1.013 119 L CA -2.208 52.544 54.840 -0.147 0.000 0.816 119 L CB 1.477 43.465 42.059 -0.119 0.000 1.236 119 L HN 0.267 nan 8.230 nan 0.000 0.419 120 P HA 0.150 nan 4.420 nan 0.000 0.274 120 P C 0.220 177.442 177.300 -0.130 0.000 1.260 120 P CA -0.005 63.030 63.100 -0.108 0.000 0.793 120 P CB 0.673 32.324 31.700 -0.081 0.000 1.048 121 G N -0.185 108.534 108.800 -0.136 0.000 2.473 121 G HA2 -0.109 3.849 3.960 -0.004 0.000 0.289 121 G HA3 -0.109 3.849 3.960 -0.004 0.000 0.289 121 G C -2.630 172.123 174.900 -0.245 0.000 1.084 121 G CA -0.808 44.205 45.100 -0.146 0.000 1.215 121 G HN 0.385 nan 8.290 nan 0.000 0.527 122 P HA 0.356 nan 4.420 nan 0.000 0.265 122 P C 1.175 178.078 177.300 -0.661 0.000 1.193 122 P CA 0.876 63.554 63.100 -0.703 0.000 0.765 122 P CB 0.774 31.845 31.700 -1.049 0.000 0.823 123 C N 2.865 121.789 119.300 -0.627 0.000 3.294 123 C HA 0.359 4.817 4.460 -0.004 0.000 0.441 123 C C 0.457 175.453 174.990 0.011 0.000 1.364 123 C CA 0.563 59.459 59.018 -0.203 0.000 2.059 123 C CB -0.567 27.169 27.740 -0.007 0.000 2.925 123 C HN 0.610 nan 8.230 nan 0.000 0.633 124 Y N -1.230 119.028 120.300 -0.071 0.000 2.644 124 Y HA 0.791 5.338 4.550 -0.004 0.000 0.338 124 Y C -0.788 175.251 175.900 0.232 0.000 1.119 124 Y CA -2.656 55.539 58.100 0.158 0.000 1.060 124 Y CB 0.562 39.077 38.460 0.092 0.000 1.294 124 Y HN 0.222 nan 8.280 nan 0.000 0.472 125 M N 0.280 120.206 119.600 0.543 0.000 2.124 125 M HA 0.890 5.367 4.480 -0.004 0.000 0.280 125 M C -0.898 175.711 176.300 0.516 0.000 0.954 125 M CA -0.948 54.629 55.300 0.462 0.000 0.958 125 M CB 1.773 34.493 32.600 0.200 0.000 1.611 125 M HN 0.943 nan 8.290 nan 0.000 0.449 126 R N 2.680 123.526 120.500 0.578 0.000 2.229 126 R HA 0.850 5.188 4.340 -0.004 0.000 0.332 126 R C -0.006 176.555 176.300 0.435 0.000 0.989 126 R CA -0.090 56.263 56.100 0.421 0.000 0.842 126 R CB 0.631 31.058 30.300 0.211 0.000 1.119 126 R HN 1.025 nan 8.270 nan 0.000 0.456 127 A N 2.297 125.343 122.820 0.377 0.000 2.546 127 A HA 0.484 4.802 4.320 -0.004 0.000 0.243 127 A C -0.146 177.401 177.584 -0.061 0.000 1.063 127 A CA -0.065 51.934 52.037 -0.063 0.000 0.757 127 A CB 0.124 19.127 19.000 0.005 0.000 0.991 127 A HN 0.701 nan 8.150 nan 0.000 0.503 128 L N 2.748 123.876 121.223 -0.158 0.000 2.295 128 L HA 0.414 4.752 4.340 -0.004 0.000 0.285 128 L C 0.935 177.797 176.870 -0.014 0.000 1.035 128 L CA 1.194 56.019 54.840 -0.024 0.000 0.806 128 L CB 1.216 43.289 42.059 0.024 0.000 1.214 128 L HN 1.398 nan 8.230 nan 0.000 0.426 129 S N 3.147 118.862 115.700 0.024 0.000 3.386 129 S HA -0.110 4.358 4.470 -0.004 0.000 0.403 129 S C -2.033 172.575 174.600 0.013 0.000 0.893 129 S CA -0.659 57.560 58.200 0.031 0.000 1.336 129 S CB -2.079 61.154 63.200 0.054 0.000 0.925 129 S HN 0.521 nan 8.310 nan 0.000 0.589 130 P HA 0.357 nan 4.420 nan 0.000 0.269 130 P C 0.182 177.492 177.300 0.017 0.000 1.215 130 P CA -0.215 62.894 63.100 0.014 0.000 0.780 130 P CB 0.375 32.087 31.700 0.020 0.000 0.898 131 R N 2.230 122.745 120.500 0.025 0.000 2.639 131 R HA 0.324 4.662 4.340 -0.004 0.000 0.273 131 R C -2.536 173.798 176.300 0.057 0.000 1.732 131 R CA -1.587 54.528 56.100 0.026 0.000 1.586 131 R CB 0.355 30.655 30.300 -0.001 0.000 1.263 131 R HN 0.345 nan 8.270 nan 0.000 0.615 132 P HA 0.221 nan 4.420 nan 0.000 0.271 132 P C 0.614 177.943 177.300 0.048 0.000 1.216 132 P CA 0.652 63.773 63.100 0.036 0.000 0.776 132 P CB 1.267 32.980 31.700 0.021 0.000 0.881 133 G N 1.201 110.026 108.800 0.043 0.000 2.358 133 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.224 133 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.224 133 G C -0.035 174.912 174.900 0.078 0.000 1.073 133 G CA -0.199 44.928 45.100 0.045 0.000 0.635 133 G HN 0.598 nan 8.290 nan 0.000 0.509 134 Y N 2.576 122.857 120.300 -0.032 0.000 2.442 134 Y HA 0.465 5.013 4.550 -0.004 0.000 0.330 134 Y C 1.344 177.226 175.900 -0.031 0.000 1.129 134 Y CA 1.421 59.501 58.100 -0.033 0.000 1.365 134 Y CB 1.166 39.602 38.460 -0.040 0.000 1.233 134 Y HN 0.518 nan 8.280 nan 0.000 0.529 135 Q N 2.137 121.611 119.800 -0.544 0.000 2.280 135 Q HA 0.146 4.484 4.340 -0.004 0.000 0.228 135 Q C 0.774 176.443 176.000 -0.551 0.000 0.857 135 Q CA 0.713 56.263 55.803 -0.421 0.000 0.939 135 Q CB 0.321 28.916 28.738 -0.239 0.000 1.114 135 Q HN 0.638 nan 8.270 nan 0.000 0.514 136 S N 1.165 116.210 115.700 -1.092 0.000 2.526 136 S HA 0.099 4.567 4.470 -0.004 0.000 0.247 136 S C 1.719 176.114 174.600 -0.342 0.000 1.076 136 S CA 0.331 58.169 58.200 -0.604 0.000 1.105 136 S CB 0.167 63.144 63.200 -0.371 0.000 0.793 136 S HN 0.767 nan 8.310 nan 0.000 0.458 137 S N 0.872 116.438 115.700 -0.222 0.000 2.402 137 S HA -0.101 4.366 4.470 -0.004 0.000 0.229 137 S C 1.525 176.186 174.600 0.101 0.000 1.021 137 S CA 0.055 58.322 58.200 0.113 0.000 0.974 137 S CB -0.547 62.729 63.200 0.127 0.000 0.800 137 S HN 0.828 nan 8.310 nan 0.000 0.484 138 W N 2.114 123.352 121.300 -0.104 0.000 2.381 138 W HA 0.016 4.674 4.660 -0.003 0.000 0.301 138 W C 2.390 178.817 176.519 -0.152 0.000 1.205 138 W CA 1.106 58.367 57.345 -0.140 0.000 1.285 138 W CB -0.306 29.095 29.460 -0.098 0.000 1.133 138 W HN 0.478 nan 8.180 nan 0.000 0.521 139 A N 0.193 122.966 122.820 -0.078 0.000 2.119 139 A HA -0.148 4.170 4.320 -0.004 0.000 0.217 139 A C 1.917 179.415 177.584 -0.143 0.000 1.153 139 A CA 1.719 53.656 52.037 -0.168 0.000 0.692 139 A CB -0.941 18.020 19.000 -0.065 0.000 0.799 139 A HN 0.319 nan 8.150 nan 0.000 0.458 140 S N -0.477 115.198 115.700 -0.043 0.000 2.527 140 S HA 0.089 4.557 4.470 -0.004 0.000 0.222 140 S C 0.939 175.550 174.600 0.017 0.000 0.985 140 S CA -0.417 57.828 58.200 0.076 0.000 0.921 140 S CB -0.297 63.054 63.200 0.252 0.000 0.772 140 S HN 0.527 nan 8.310 nan 0.000 0.529 141 R N 2.466 122.824 120.500 -0.238 0.000 2.678 141 R HA 0.140 4.478 4.340 -0.004 0.000 0.264 141 R C -2.557 173.506 176.300 -0.395 0.000 0.995 141 R CA -0.955 54.854 56.100 -0.485 0.000 1.098 141 R CB -0.350 29.259 30.300 -1.153 0.000 0.949 141 R HN 0.276 nan 8.270 nan 0.000 0.422 142 P HA -0.007 nan 4.420 nan 0.000 0.270 142 P C -0.233 176.888 177.300 -0.299 0.000 1.223 142 P CA -0.037 62.879 63.100 -0.308 0.000 0.785 142 P CB 0.479 32.098 31.700 -0.134 0.000 0.923 143 I N 1.427 121.818 120.570 -0.298 0.000 2.416 143 I HA 0.114 4.282 4.170 -0.004 0.000 0.288 143 I C 0.513 176.607 176.117 -0.039 0.000 1.051 143 I CA 0.072 61.208 61.300 -0.274 0.000 1.375 143 I CB 0.457 38.162 38.000 -0.491 0.000 1.407 143 I HN 0.404 nan 8.210 nan 0.000 0.516 144 S N 3.983 119.715 115.700 0.052 0.000 2.693 144 S HA 0.274 4.742 4.470 -0.004 0.000 0.276 144 S C 1.016 175.795 174.600 0.297 0.000 1.192 144 S CA -0.423 57.936 58.200 0.265 0.000 0.994 144 S CB 1.627 65.006 63.200 0.298 0.000 1.012 144 S HN 0.702 nan 8.310 nan 0.000 0.550 145 T N 1.613 116.381 114.554 0.356 0.000 2.635 145 T HA -0.133 4.215 4.350 -0.004 0.000 0.267 145 T C 2.164 177.048 174.700 0.307 0.000 1.040 145 T CA 2.038 64.356 62.100 0.363 0.000 1.156 145 T CB -1.101 67.919 68.868 0.254 0.000 0.863 145 T HN 0.823 nan 8.240 nan 0.000 0.430 146 A N 1.074 124.038 122.820 0.241 0.000 1.873 146 A HA -0.206 4.112 4.320 -0.004 0.000 0.218 146 A C 2.173 179.901 177.584 0.240 0.000 1.193 146 A CA 2.303 54.468 52.037 0.214 0.000 0.629 146 A CB -0.821 18.296 19.000 0.195 0.000 0.826 146 A HN 0.660 nan 8.150 nan 0.000 0.447 147 E N -1.397 118.942 120.200 0.232 0.000 2.058 147 E HA -0.245 4.102 4.350 -0.004 0.000 0.194 147 E C 1.796 178.534 176.600 0.230 0.000 0.997 147 E CA 1.618 58.161 56.400 0.239 0.000 0.801 147 E CB -0.320 29.431 29.700 0.085 0.000 0.746 147 E HN 0.774 nan 8.360 nan 0.000 0.450 148 Y N 0.126 120.572 120.300 0.244 0.000 2.165 148 Y HA -0.280 4.268 4.550 -0.003 0.000 0.286 148 Y C 2.370 178.448 175.900 0.297 0.000 1.155 148 Y CA 0.866 59.130 58.100 0.274 0.000 1.164 148 Y CB -0.243 38.340 38.460 0.205 0.000 0.978 148 Y HN 0.203 nan 8.280 nan 0.000 0.513 149 A N 0.372 123.425 122.820 0.388 0.000 1.841 149 A HA -0.213 4.105 4.320 -0.004 0.000 0.216 149 A C 2.187 179.951 177.584 0.300 0.000 1.199 149 A CA 1.796 54.010 52.037 0.295 0.000 0.621 149 A CB -1.221 17.902 19.000 0.205 0.000 0.835 149 A HN 0.458 nan 8.150 nan 0.000 0.445 150 L N -0.653 120.714 121.223 0.240 0.000 2.051 150 L HA -0.254 4.084 4.340 -0.004 0.000 0.214 150 L C 2.651 179.688 176.870 0.278 0.000 1.076 150 L CA 1.346 56.275 54.840 0.147 0.000 0.758 150 L CB -0.527 41.531 42.059 -0.001 0.000 0.890 150 L HN 0.416 nan 8.230 nan 0.000 0.433 151 L N -1.882 119.620 121.223 0.466 0.000 2.046 151 L HA -0.278 4.060 4.340 -0.004 0.000 0.208 151 L C 2.573 179.620 176.870 0.294 0.000 1.077 151 L CA 1.268 56.340 54.840 0.387 0.000 0.747 151 L CB -0.500 41.716 42.059 0.263 0.000 0.896 151 L HN 0.239 nan 8.230 nan 0.000 0.432 152 Y N 0.235 120.721 120.300 0.310 0.000 2.274 152 Y HA -0.317 4.231 4.550 -0.003 0.000 0.290 152 Y C 2.888 178.839 175.900 0.085 0.000 1.145 152 Y CA 1.784 60.038 58.100 0.258 0.000 1.203 152 Y CB -0.752 37.874 38.460 0.277 0.000 0.984 152 Y HN 0.372 nan 8.280 nan 0.000 0.533 153 H N -2.270 116.869 119.070 0.115 0.000 2.299 153 H HA -0.113 4.440 4.556 -0.004 0.000 0.302 153 H C 2.292 177.575 175.328 -0.075 0.000 1.078 153 H CA 2.049 58.093 56.048 -0.006 0.000 1.323 153 H CB -1.316 28.456 29.762 0.015 0.000 1.381 153 H HN 0.315 nan 8.280 nan 0.000 0.498 154 T N 0.619 115.161 114.554 -0.020 0.000 2.597 154 T HA -0.174 4.174 4.350 -0.004 0.000 0.267 154 T C 2.230 176.853 174.700 -0.127 0.000 1.053 154 T CA 1.746 63.836 62.100 -0.016 0.000 1.165 154 T CB -0.588 68.362 68.868 0.137 0.000 0.863 154 T HN 0.353 nan 8.240 nan 0.000 0.427 155 L N 1.106 122.179 121.223 -0.250 0.000 2.191 155 L HA -0.049 4.289 4.340 -0.004 0.000 0.212 155 L C 2.278 178.799 176.870 -0.583 0.000 1.103 155 L CA 1.642 56.200 54.840 -0.469 0.000 0.769 155 L CB -0.938 40.706 42.059 -0.692 0.000 0.908 155 L HN 0.318 nan 8.230 nan 0.000 0.438 156 Q N -1.014 118.483 119.800 -0.505 0.000 2.049 156 Q HA -0.154 4.184 4.340 -0.004 0.000 0.198 156 Q C 2.027 177.959 176.000 -0.113 0.000 0.971 156 Q CA 1.391 57.007 55.803 -0.312 0.000 0.833 156 Q CB -0.013 28.569 28.738 -0.261 0.000 0.896 156 Q HN 0.477 nan 8.270 nan 0.000 0.434 157 E N 0.742 120.881 120.200 -0.102 0.000 2.023 157 E HA -0.181 4.167 4.350 -0.004 0.000 0.196 157 E C 1.939 178.520 176.600 -0.031 0.000 1.003 157 E CA 1.427 57.798 56.400 -0.049 0.000 0.809 157 E CB -0.441 29.232 29.700 -0.045 0.000 0.755 157 E HN 0.340 nan 8.360 nan 0.000 0.449 158 A N 0.922 123.715 122.820 -0.045 0.000 2.019 158 A HA -0.126 4.192 4.320 -0.004 0.000 0.219 158 A C 2.234 179.821 177.584 0.005 0.000 1.164 158 A CA 2.173 54.197 52.037 -0.021 0.000 0.644 158 A CB -0.720 18.264 19.000 -0.026 0.000 0.805 158 A HN 0.380 nan 8.150 nan 0.000 0.449 159 T N -3.736 110.841 114.554 0.039 0.000 3.107 159 T HA 0.280 4.628 4.350 -0.004 0.000 0.249 159 T C 1.729 176.510 174.700 0.134 0.000 1.096 159 T CA 1.226 63.417 62.100 0.153 0.000 1.012 159 T CB -0.174 68.993 68.868 0.499 0.000 0.977 159 T HN 0.566 nan 8.240 nan 0.000 0.527 160 K N 2.485 122.937 120.400 0.087 0.000 2.071 160 K HA -0.138 4.180 4.320 -0.004 0.000 0.217 160 K C 0.329 176.949 176.600 0.033 0.000 1.054 160 K CA 2.227 58.551 56.287 0.063 0.000 0.937 160 K CB -2.680 29.828 32.500 0.014 0.000 0.719 160 K HN 0.537 nan 8.250 nan 0.000 0.454 161 P HA -0.045 nan 4.420 nan 0.000 0.221 161 P C 0.882 178.123 177.300 -0.099 0.000 1.145 161 P CA 0.697 63.770 63.100 -0.045 0.000 0.795 161 P CB 0.056 31.717 31.700 -0.064 0.000 0.775 162 L N -2.950 118.144 121.223 -0.215 0.000 2.607 162 L HA 0.081 4.419 4.340 -0.004 0.000 0.228 162 L C 2.208 178.735 176.870 -0.572 0.000 1.123 162 L CA 0.020 54.554 54.840 -0.509 0.000 0.890 162 L CB -0.679 40.845 42.059 -0.891 0.000 1.103 162 L HN 0.005 nan 8.230 nan 0.000 0.468 163 H N 1.229 120.156 119.070 -0.239 0.000 2.289 163 H HA -0.312 4.242 4.556 -0.004 0.000 0.294 163 H C 2.348 177.694 175.328 0.030 0.000 1.095 163 H CA 3.058 59.119 56.048 0.021 0.000 1.256 163 H CB 0.157 29.972 29.762 0.088 0.000 1.359 163 H HN 0.391 nan 8.280 nan 0.000 0.487 164 Q N 0.264 120.104 119.800 0.067 0.000 2.050 164 Q HA -0.167 4.171 4.340 -0.004 0.000 0.202 164 Q C 2.476 178.487 176.000 0.018 0.000 0.980 164 Q CA 1.716 57.553 55.803 0.057 0.000 0.840 164 Q CB -1.560 27.256 28.738 0.130 0.000 0.898 164 Q HN 0.697 nan 8.270 nan 0.000 0.424 165 F N 0.682 120.514 119.950 -0.196 0.000 2.063 165 F HA -0.213 4.312 4.527 -0.004 0.000 0.298 165 F C 1.950 177.559 175.800 -0.318 0.000 1.109 165 F CA 2.245 59.965 58.000 -0.466 0.000 1.212 165 F CB -0.414 38.166 39.000 -0.701 0.000 0.973 165 F HN 0.266 nan 8.300 nan 0.000 0.480 166 F N 0.727 120.545 119.950 -0.219 0.000 2.065 166 F HA -0.227 4.298 4.527 -0.003 0.000 0.298 166 F C 2.355 177.983 175.800 -0.288 0.000 1.112 166 F CA 1.571 59.400 58.000 -0.286 0.000 1.212 166 F CB -1.562 37.384 39.000 -0.090 0.000 0.975 166 F HN 0.015 nan 8.300 nan 0.000 0.476 167 L N -0.453 120.749 121.223 -0.034 0.000 2.046 167 L HA -0.235 4.103 4.340 -0.004 0.000 0.208 167 L C 2.236 179.069 176.870 -0.062 0.000 1.077 167 L CA 1.264 56.070 54.840 -0.056 0.000 0.747 167 L CB -0.771 41.230 42.059 -0.097 0.000 0.896 167 L HN 0.116 nan 8.230 nan 0.000 0.432 168 N N -0.457 118.184 118.700 -0.098 0.000 2.188 168 N HA -0.132 4.606 4.740 -0.004 0.000 0.184 168 N C 1.940 177.360 175.510 -0.150 0.000 1.018 168 N CA 1.980 54.987 53.050 -0.072 0.000 0.858 168 N CB -0.451 38.055 38.487 0.033 0.000 0.989 168 N HN 0.464 nan 8.380 nan 0.000 0.426 169 T N -2.834 111.509 114.554 -0.352 0.000 2.939 169 T HA -0.014 4.334 4.350 -0.004 0.000 0.254 169 T C 1.940 176.531 174.700 -0.181 0.000 1.041 169 T CA 1.560 63.450 62.100 -0.350 0.000 1.142 169 T CB -0.520 67.919 68.868 -0.715 0.000 0.874 169 T HN 0.325 nan 8.240 nan 0.000 0.452 170 T N -2.442 112.022 114.554 -0.151 0.000 2.969 170 T HA 0.478 4.825 4.350 -0.004 0.000 0.250 170 T C 1.964 176.708 174.700 0.072 0.000 1.021 170 T CA 0.770 62.819 62.100 -0.086 0.000 1.003 170 T CB -0.207 68.583 68.868 -0.129 0.000 1.040 170 T HN 0.881 nan 8.240 nan 0.000 0.492 171 G N 1.048 109.911 108.800 0.105 0.000 2.168 171 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.263 171 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.263 171 G C -0.148 174.924 174.900 0.287 0.000 0.977 171 G CA 0.439 45.654 45.100 0.190 0.000 0.659 171 G HN 0.538 nan 8.290 nan 0.000 0.533 172 F N 0.344 120.226 119.950 -0.113 0.000 2.654 172 F HA 0.838 5.363 4.527 -0.004 0.000 0.334 172 F C 0.623 176.312 175.800 -0.185 0.000 1.078 172 F CA -0.712 57.199 58.000 -0.147 0.000 0.986 172 F CB 2.189 41.076 39.000 -0.189 0.000 1.362 172 F HN 0.541 nan 8.300 nan 0.000 0.498 173 S N -0.770 114.897 115.700 -0.056 0.000 2.643 173 S HA 0.523 4.991 4.470 -0.004 0.000 0.270 173 S C -0.726 173.787 174.600 -0.146 0.000 1.166 173 S CA -0.571 57.581 58.200 -0.081 0.000 0.815 173 S CB 1.161 64.396 63.200 0.058 0.000 1.139 173 S HN 0.271 nan 8.310 nan 0.000 0.472 174 F N 0.952 120.967 119.950 0.109 0.000 2.746 174 F HA 0.456 4.981 4.527 -0.004 0.000 0.297 174 F C 1.561 177.414 175.800 0.088 0.000 1.113 174 F CA 0.878 58.912 58.000 0.058 0.000 1.367 174 F CB 0.066 39.056 39.000 -0.017 0.000 1.111 174 F HN 0.902 nan 8.300 nan 0.000 0.590 175 Q N 0.394 120.394 119.800 0.333 0.000 2.330 175 Q HA 0.594 4.932 4.340 -0.004 0.000 0.269 175 Q C 0.402 176.517 176.000 0.193 0.000 1.022 175 Q CA 0.245 56.180 55.803 0.220 0.000 0.796 175 Q CB 0.367 29.189 28.738 0.141 0.000 1.271 175 Q HN 0.453 nan 8.270 nan 0.000 0.450 176 D N -0.371 120.102 120.400 0.122 0.000 4.365 176 D HA -0.409 4.229 4.640 -0.004 0.000 0.211 176 D C 2.537 178.882 176.300 0.074 0.000 1.059 176 D CA 4.350 58.403 54.000 0.088 0.000 2.239 176 D CB -2.602 38.248 40.800 0.084 0.000 1.164 176 D HN 2.697 nan 8.370 nan 0.000 0.406 177 C N -2.145 117.200 119.300 0.075 0.000 5.884 177 C HA -0.102 4.356 4.460 -0.004 0.000 0.328 177 C C 2.904 177.854 174.990 -0.066 0.000 2.433 177 C CA 4.712 63.729 59.018 -0.001 0.000 2.197 177 C CB -2.638 25.114 27.740 0.019 0.000 3.235 177 C HN 2.907 nan 8.230 nan 0.000 0.260 178 H N 0.193 119.247 119.070 -0.025 0.000 1.452 178 H HA -0.391 4.163 4.556 -0.004 0.000 0.090 178 H C 2.261 177.537 175.328 -0.087 0.000 0.710 178 H CA 4.837 60.860 56.048 -0.042 0.000 1.901 178 H CB -2.386 27.354 29.762 -0.036 0.000 2.257 178 H HN 2.298 nan 8.280 nan 0.000 0.961 179 D N 1.390 121.707 120.400 -0.138 0.000 2.162 179 D HA 0.452 5.090 4.640 -0.004 0.000 0.203 179 D C 2.014 178.106 176.300 -0.346 0.000 0.967 179 D CA 3.208 57.096 54.000 -0.188 0.000 0.840 179 D CB -0.263 40.433 40.800 -0.174 0.000 0.972 179 D HN 1.793 nan 8.370 nan 0.000 0.482 180 R N -0.236 119.940 120.500 -0.540 0.000 2.402 180 R HA 0.580 4.918 4.340 -0.004 0.000 0.290 180 R C -0.729 175.175 176.300 -0.659 0.000 1.321 180 R CA -0.430 54.921 56.100 -1.248 0.000 1.283 180 R CB -0.559 28.550 30.300 -1.986 0.000 1.111 180 R HN 0.502 nan 8.270 nan 0.000 0.578 181 C N 3.011 122.202 119.300 -0.182 0.000 2.330 181 C HA 0.577 5.035 4.460 -0.004 0.000 0.344 181 C C 0.676 175.749 174.990 0.138 0.000 1.273 181 C CA -1.064 57.962 59.018 0.014 0.000 1.879 181 C CB 0.306 28.074 27.740 0.046 0.000 2.376 181 C HN 0.817 nan 8.230 nan 0.000 0.534 182 L N 3.358 124.471 121.223 -0.183 0.000 2.410 182 L HA 0.464 4.802 4.340 -0.004 0.000 0.273 182 L C 0.689 177.389 176.870 -0.283 0.000 1.152 182 L CA 0.314 54.880 54.840 -0.456 0.000 0.855 182 L CB 0.373 41.672 42.059 -1.267 0.000 1.129 182 L HN 0.896 nan 8.230 nan 0.000 0.463 183 A N 3.851 126.650 122.820 -0.035 0.000 2.344 183 A HA 0.904 5.222 4.320 -0.004 0.000 0.307 183 A C -0.962 176.833 177.584 0.352 0.000 1.151 183 A CA -0.470 51.625 52.037 0.096 0.000 0.842 183 A CB 1.557 20.424 19.000 -0.221 0.000 1.350 183 A HN 0.609 nan 8.150 nan 0.000 0.459 184 F N -1.914 118.205 119.950 0.281 0.000 2.613 184 F HA 0.801 5.326 4.527 -0.003 0.000 0.314 184 F C -0.604 175.406 175.800 0.350 0.000 1.075 184 F CA -0.615 57.587 58.000 0.336 0.000 0.945 184 F CB 1.822 41.045 39.000 0.373 0.000 1.310 184 F HN 0.307 nan 8.300 nan 0.000 0.467 185 T N 2.286 117.189 114.554 0.583 0.000 2.864 185 T HA 0.232 4.579 4.350 -0.004 0.000 0.310 185 T C -1.249 173.774 174.700 0.538 0.000 1.040 185 T CA -0.675 61.697 62.100 0.453 0.000 0.977 185 T CB 0.388 69.545 68.868 0.482 0.000 0.976 185 T HN 0.710 nan 8.240 nan 0.000 0.459 186 D N 2.665 123.420 120.400 0.590 0.000 2.389 186 D HA 0.266 4.903 4.640 -0.004 0.000 0.247 186 D C 0.720 177.326 176.300 0.511 0.000 1.128 186 D CA -0.482 53.860 54.000 0.571 0.000 0.884 186 D CB 0.994 42.174 40.800 0.633 0.000 1.194 186 D HN 0.345 nan 8.370 nan 0.000 0.441 187 V N -1.308 118.852 119.914 0.410 0.000 3.096 187 V HA 0.947 5.065 4.120 -0.004 0.000 0.319 187 V C -0.269 175.969 176.094 0.240 0.000 1.082 187 V CA -0.750 61.681 62.300 0.219 0.000 1.022 187 V CB 1.001 32.845 31.823 0.035 0.000 1.103 187 V HN 1.038 nan 8.190 nan 0.000 0.455 188 A N 2.140 124.973 122.820 0.022 0.000 2.572 188 A HA 0.956 5.274 4.320 -0.004 0.000 0.295 188 A C -3.060 174.511 177.584 -0.021 0.000 1.072 188 A CA -1.692 50.429 52.037 0.140 0.000 0.691 188 A CB 1.742 20.990 19.000 0.414 0.000 1.291 188 A HN 0.782 nan 8.150 nan 0.000 0.404 189 P HA 0.353 nan 4.420 nan 0.000 0.277 189 P C -0.841 176.548 177.300 0.148 0.000 1.276 189 P CA -0.222 62.906 63.100 0.047 0.000 0.788 189 P CB 0.502 32.114 31.700 -0.146 0.000 1.114 190 R N -0.025 120.584 120.500 0.182 0.000 2.724 190 R HA 0.631 4.969 4.340 -0.004 0.000 0.284 190 R C 0.394 176.790 176.300 0.160 0.000 1.481 190 R CA -0.253 55.932 56.100 0.142 0.000 1.652 190 R CB 0.325 30.643 30.300 0.029 0.000 1.175 190 R HN 0.876 nan 8.270 nan 0.000 0.613 191 G N -0.504 108.441 108.800 0.243 0.000 2.270 191 G HA2 -0.140 3.818 3.960 -0.004 0.000 0.268 191 G HA3 -0.140 3.818 3.960 -0.004 0.000 0.268 191 G C -0.090 174.930 174.900 0.200 0.000 1.312 191 G CA -0.324 44.862 45.100 0.143 0.000 1.050 191 G HN 0.230 nan 8.290 nan 0.000 0.474 192 V N -3.120 116.727 119.914 -0.111 0.000 3.502 192 V HA 0.792 4.909 4.120 -0.004 0.000 0.288 192 V C 0.760 176.325 176.094 -0.881 0.000 1.461 192 V CA 1.374 63.550 62.300 -0.206 0.000 1.029 192 V CB 0.002 31.767 31.823 -0.097 0.000 0.843 192 V HN 2.453 nan 8.190 nan 0.000 0.438 193 A N -0.221 121.841 122.820 -1.265 0.000 2.602 193 A HA 0.751 5.069 4.320 -0.004 0.000 0.290 193 A C -0.289 176.602 177.584 -1.156 0.000 1.114 193 A CA 0.076 51.221 52.037 -1.486 0.000 0.683 193 A CB 1.199 19.777 19.000 -0.704 0.000 1.281 193 A HN 0.358 nan 8.150 nan 0.000 0.416 194 S N -0.540 114.779 115.700 -0.635 0.000 2.537 194 S HA 0.426 4.894 4.470 -0.004 0.000 0.286 194 S C 1.352 175.883 174.600 -0.116 0.000 1.299 194 S CA 1.638 59.792 58.200 -0.077 0.000 1.067 194 S CB -0.041 63.205 63.200 0.076 0.000 0.864 194 S HN 2.621 nan 8.310 nan 0.000 0.494 195 G N 3.468 112.245 108.800 -0.038 0.000 2.176 195 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.232 195 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.232 195 G C -0.063 174.783 174.900 -0.091 0.000 0.986 195 G CA 0.128 45.184 45.100 -0.075 0.000 0.643 195 G HN 0.729 nan 8.290 nan 0.000 0.522 196 Q N -0.538 119.196 119.800 -0.109 0.000 2.227 196 Q HA 0.712 5.050 4.340 -0.004 0.000 0.245 196 Q C 0.318 176.243 176.000 -0.124 0.000 0.926 196 Q CA -0.556 55.169 55.803 -0.129 0.000 0.895 196 Q CB 1.316 29.955 28.738 -0.165 0.000 1.230 196 Q HN 0.254 nan 8.270 nan 0.000 0.450 197 R N 1.371 121.732 120.500 -0.232 0.000 2.837 197 R HA 0.232 4.569 4.340 -0.004 0.000 0.245 197 R C -1.329 174.629 176.300 -0.571 0.000 1.712 197 R CA -0.115 55.730 56.100 -0.424 0.000 1.539 197 R CB 0.494 30.472 30.300 -0.536 0.000 1.490 197 R HN 0.528 nan 8.270 nan 0.000 0.667 198 R N 0.889 121.200 120.500 -0.316 0.000 2.467 198 R HA 0.346 4.684 4.340 -0.004 0.000 0.299 198 R C -1.022 175.198 176.300 -0.134 0.000 1.120 198 R CA -0.468 55.486 56.100 -0.243 0.000 0.940 198 R CB 2.281 32.471 30.300 -0.183 0.000 1.161 198 R HN 0.142 nan 8.270 nan 0.000 0.506 199 S N 1.892 117.557 115.700 -0.059 0.000 2.462 199 S HA 0.302 4.770 4.470 -0.004 0.000 0.294 199 S C -0.824 173.752 174.600 -0.041 0.000 1.144 199 S CA -0.673 57.573 58.200 0.077 0.000 1.088 199 S CB 0.691 64.052 63.200 0.267 0.000 1.009 199 S HN 0.374 nan 8.310 nan 0.000 0.484 200 W N 3.917 125.286 121.300 0.115 0.000 2.345 200 W HA 0.429 5.087 4.660 -0.004 0.000 0.308 200 W C -0.479 176.129 176.519 0.148 0.000 1.273 200 W CA -0.497 56.915 57.345 0.111 0.000 1.243 200 W CB 0.384 29.892 29.460 0.080 0.000 1.260 200 W HN 0.345 nan 8.180 nan 0.000 0.509 201 L N 6.058 127.505 121.223 0.374 0.000 2.296 201 L HA 0.504 4.842 4.340 -0.004 0.000 0.286 201 L C -0.188 176.930 176.870 0.413 0.000 1.023 201 L CA -1.053 53.995 54.840 0.347 0.000 0.812 201 L CB 1.014 43.124 42.059 0.086 0.000 1.223 201 L HN 0.253 nan 8.230 nan 0.000 0.421 202 I N 4.407 125.233 120.570 0.428 0.000 2.304 202 I HA 0.214 4.382 4.170 -0.004 0.000 0.291 202 I C 0.011 176.374 176.117 0.410 0.000 1.018 202 I CA -0.517 61.005 61.300 0.370 0.000 1.260 202 I CB 1.110 39.288 38.000 0.297 0.000 1.390 202 I HN 0.347 nan 8.210 nan 0.000 0.475 203 I N 6.711 127.506 120.570 0.375 0.000 2.471 203 I HA 0.213 4.381 4.170 -0.004 0.000 0.286 203 I C 0.210 176.475 176.117 0.247 0.000 1.079 203 I CA 0.055 61.566 61.300 0.352 0.000 1.398 203 I CB 0.468 38.660 38.000 0.321 0.000 1.403 203 I HN 0.662 nan 8.210 nan 0.000 0.530 204 Q N 5.067 124.993 119.800 0.211 0.000 2.451 204 Q HA 0.524 4.862 4.340 -0.004 0.000 0.281 204 Q C -0.734 175.277 176.000 0.018 0.000 1.099 204 Q CA -0.965 54.929 55.803 0.152 0.000 0.806 204 Q CB 2.441 31.332 28.738 0.255 0.000 1.419 204 Q HN 0.394 nan 8.270 nan 0.000 0.427 205 R N 0.928 121.379 120.500 -0.081 0.000 2.316 205 R HA 0.101 4.439 4.340 -0.004 0.000 0.314 205 R C -0.890 175.397 176.300 -0.023 0.000 1.069 205 R CA -0.264 55.671 56.100 -0.275 0.000 0.959 205 R CB 0.279 30.099 30.300 -0.800 0.000 0.987 205 R HN 0.478 nan 8.270 nan 0.000 0.446 206 Y N 5.303 125.572 120.300 -0.051 0.000 2.576 206 Y HA 0.082 4.630 4.550 -0.003 0.000 0.348 206 Y C 0.019 175.888 175.900 -0.052 0.000 1.212 206 Y CA -0.361 57.655 58.100 -0.139 0.000 1.683 206 Y CB -0.352 37.983 38.460 -0.209 0.000 1.484 206 Y HN 0.315 nan 8.280 nan 0.000 0.477 207 V N 1.145 120.910 119.914 -0.248 0.000 3.155 207 V HA 0.476 4.594 4.120 -0.004 0.000 0.313 207 V C -0.029 175.850 176.094 -0.357 0.000 1.162 207 V CA -1.686 60.416 62.300 -0.329 0.000 1.048 207 V CB 1.518 33.104 31.823 -0.395 0.000 1.092 207 V HN 0.439 nan 8.190 nan 0.000 0.447 208 E N 0.954 120.976 120.200 -0.297 0.000 2.820 208 E HA 0.268 4.616 4.350 -0.004 0.000 0.251 208 E C 0.960 177.416 176.600 -0.240 0.000 0.944 208 E CA 1.187 57.449 56.400 -0.231 0.000 0.955 208 E CB -0.335 29.277 29.700 -0.147 0.000 0.904 208 E HN 1.916 nan 8.360 nan 0.000 0.513 209 G N 4.538 113.125 108.800 -0.355 0.000 2.333 209 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.296 209 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.296 209 G C 0.144 174.651 174.900 -0.654 0.000 1.059 209 G CA 0.587 45.292 45.100 -0.658 0.000 1.050 209 G HN 0.816 nan 8.290 nan 0.000 0.508 210 Y N -2.453 117.413 120.300 -0.724 0.000 2.483 210 Y HA 0.163 4.710 4.550 -0.004 0.000 0.291 210 Y C 2.233 177.961 175.900 -0.287 0.000 1.143 210 Y CA 0.954 58.803 58.100 -0.420 0.000 1.289 210 Y CB -0.688 37.535 38.460 -0.396 0.000 0.983 210 Y HN 0.311 nan 8.280 nan 0.000 0.556 211 F N 1.024 120.652 119.950 -0.536 0.000 2.192 211 F HA -0.174 4.351 4.527 -0.004 0.000 0.301 211 F C 1.694 177.438 175.800 -0.092 0.000 1.079 211 F CA 0.993 58.825 58.000 -0.280 0.000 1.303 211 F CB -0.557 38.180 39.000 -0.438 0.000 1.024 211 F HN 0.074 nan 8.300 nan 0.000 0.494 212 L N -0.117 121.103 121.223 -0.005 0.000 2.627 212 L HA 0.058 4.396 4.340 -0.004 0.000 0.232 212 L C 0.077 176.833 176.870 -0.190 0.000 1.150 212 L CA 0.274 55.093 54.840 -0.035 0.000 0.917 212 L CB -0.556 41.474 42.059 -0.048 0.000 1.104 212 L HN 0.273 nan 8.230 nan 0.000 0.445 213 H N 1.078 120.199 119.070 0.084 0.000 2.386 213 H HA 0.270 4.824 4.556 -0.004 0.000 0.232 213 H C -2.344 173.063 175.328 0.131 0.000 1.416 213 H CA -1.628 54.476 56.048 0.094 0.000 1.285 213 H CB 0.641 30.378 29.762 -0.042 0.000 1.625 213 H HN 0.064 nan 8.280 nan 0.000 0.521 214 P HA 0.007 nan 4.420 nan 0.000 0.275 214 P C 1.263 178.771 177.300 0.347 0.000 1.227 214 P CA -0.055 63.229 63.100 0.306 0.000 0.781 214 P CB 1.558 33.464 31.700 0.344 0.000 0.906 215 T N -0.748 113.927 114.554 0.200 0.000 2.985 215 T HA 0.154 4.501 4.350 -0.004 0.000 0.266 215 T C 1.392 175.928 174.700 -0.274 0.000 1.076 215 T CA 1.166 63.307 62.100 0.067 0.000 1.135 215 T CB -0.817 68.071 68.868 0.034 0.000 0.890 215 T HN 0.630 nan 8.240 nan 0.000 0.480 216 G N 0.561 109.135 108.800 -0.377 0.000 2.211 216 G HA2 -0.119 3.839 3.960 -0.004 0.000 0.201 216 G HA3 -0.119 3.839 3.960 -0.004 0.000 0.201 216 G C -0.258 174.538 174.900 -0.174 0.000 0.997 216 G CA -0.102 44.347 45.100 -1.085 0.000 0.652 216 G HN 0.715 nan 8.290 nan 0.000 0.500 217 L N 1.811 123.173 121.223 0.231 0.000 2.312 217 L HA 0.806 5.144 4.340 -0.004 0.000 0.281 217 L C -0.093 177.052 176.870 0.459 0.000 1.070 217 L CA -0.500 54.621 54.840 0.467 0.000 0.805 217 L CB 0.976 43.342 42.059 0.512 0.000 1.174 217 L HN 0.259 nan 8.230 nan 0.000 0.434 218 E N 5.666 126.206 120.200 0.566 0.000 2.293 218 E HA 0.557 4.905 4.350 -0.004 0.000 0.270 218 E C -1.514 175.469 176.600 0.640 0.000 0.879 218 E CA -0.710 56.033 56.400 0.571 0.000 0.756 218 E CB 2.416 32.400 29.700 0.473 0.000 1.208 218 E HN 0.485 nan 8.360 nan 0.000 0.428 219 L N 2.661 124.174 121.223 0.483 0.000 2.410 219 L HA 0.433 4.771 4.340 -0.004 0.000 0.270 219 L C -1.099 175.655 176.870 -0.193 0.000 0.983 219 L CA -1.098 53.852 54.840 0.182 0.000 0.822 219 L CB 1.710 43.830 42.059 0.102 0.000 1.285 219 L HN 0.317 nan 8.230 nan 0.000 0.409 220 L N 4.320 125.153 121.223 -0.650 0.000 2.257 220 L HA 0.499 4.837 4.340 -0.004 0.000 0.290 220 L C -0.630 175.988 176.870 -0.419 0.000 1.044 220 L CA -0.067 54.199 54.840 -0.957 0.000 0.810 220 L CB 1.412 42.661 42.059 -1.351 0.000 1.193 220 L HN 0.280 nan 8.230 nan 0.000 0.425 221 V N 4.525 124.265 119.914 -0.290 0.000 2.409 221 V HA 0.307 4.425 4.120 -0.004 0.000 0.291 221 V C -0.365 175.659 176.094 -0.116 0.000 1.020 221 V CA -0.817 61.394 62.300 -0.149 0.000 0.848 221 V CB 1.497 33.248 31.823 -0.120 0.000 0.990 221 V HN 0.632 nan 8.190 nan 0.000 0.430 222 D N 3.976 124.294 120.400 -0.137 0.000 2.374 222 D HA 0.135 4.773 4.640 -0.004 0.000 0.240 222 D C 0.462 176.578 176.300 -0.307 0.000 1.229 222 D CA -0.177 53.700 54.000 -0.206 0.000 0.895 222 D CB 0.458 41.180 40.800 -0.130 0.000 1.046 222 D HN 0.852 nan 8.370 nan 0.000 0.498 223 H N 0.901 119.566 119.070 -0.676 0.000 2.507 223 H HA 0.467 5.021 4.556 -0.004 0.000 0.281 223 H C 1.317 176.066 175.328 -0.966 0.000 1.160 223 H CA -0.761 54.346 56.048 -1.569 0.000 0.981 223 H CB 0.767 29.315 29.762 -2.024 0.000 1.665 223 H HN 0.304 nan 8.280 nan 0.000 0.554 224 G N 0.190 108.689 108.800 -0.502 0.000 2.394 224 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.215 224 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.215 224 G C 0.837 175.809 174.900 0.120 0.000 1.165 224 G CA 0.369 45.355 45.100 -0.190 0.000 0.784 224 G HN 0.495 nan 8.290 nan 0.000 0.535 225 S N -0.036 115.838 115.700 0.292 0.000 2.585 225 S HA 0.256 4.724 4.470 -0.004 0.000 0.273 225 S C 1.888 176.835 174.600 0.579 0.000 1.339 225 S CA 0.569 59.027 58.200 0.430 0.000 1.028 225 S CB 1.055 64.538 63.200 0.473 0.000 0.906 225 S HN 0.409 nan 8.310 nan 0.000 0.528 226 T N 0.244 115.008 114.554 0.349 0.000 3.088 226 T HA 0.084 4.432 4.350 -0.004 0.000 0.259 226 T C 0.347 175.110 174.700 0.106 0.000 1.122 226 T CA 0.209 62.486 62.100 0.295 0.000 1.095 226 T CB -0.170 68.778 68.868 0.134 0.000 0.930 226 T HN 0.549 nan 8.240 nan 0.000 0.508 227 D N 1.175 121.561 120.400 -0.023 0.000 2.359 227 D HA 0.520 5.158 4.640 -0.004 0.000 0.230 227 D C 1.142 177.142 176.300 -0.501 0.000 1.118 227 D CA -0.234 53.585 54.000 -0.302 0.000 0.844 227 D CB 1.462 41.922 40.800 -0.567 0.000 1.059 227 D HN 0.185 nan 8.370 nan 0.000 0.493 228 A N 3.274 125.627 122.820 -0.778 0.000 2.125 228 A HA -0.036 4.282 4.320 -0.004 0.000 0.219 228 A C 1.985 179.070 177.584 -0.831 0.000 1.156 228 A CA 1.452 52.557 52.037 -1.553 0.000 0.671 228 A CB -0.371 17.817 19.000 -1.353 0.000 0.794 228 A HN 0.634 nan 8.150 nan 0.000 0.459 229 G N -1.217 107.282 108.800 -0.502 0.000 2.470 229 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.220 229 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.220 229 G C 1.211 176.075 174.900 -0.059 0.000 1.121 229 G CA 1.078 46.020 45.100 -0.263 0.000 0.766 229 G HN 0.842 nan 8.290 nan 0.000 0.553 230 H N -2.190 116.864 119.070 -0.027 0.000 2.548 230 H HA 0.102 4.656 4.556 -0.004 0.000 0.265 230 H C 0.386 175.858 175.328 0.239 0.000 0.969 230 H CA -0.870 55.236 56.048 0.096 0.000 1.155 230 H CB 0.308 30.141 29.762 0.117 0.000 1.394 230 H HN 0.240 nan 8.280 nan 0.000 0.570 231 W N 1.681 123.040 121.300 0.099 0.000 2.158 231 W HA 0.474 5.132 4.660 -0.004 0.000 0.339 231 W C 0.164 176.700 176.519 0.028 0.000 1.294 231 W CA -1.000 56.382 57.345 0.062 0.000 1.231 231 W CB 0.022 29.515 29.460 0.054 0.000 1.143 231 W HN -0.008 nan 8.180 nan 0.000 0.571 232 A N 1.447 124.400 122.820 0.222 0.000 2.574 232 A HA 0.601 4.919 4.320 -0.004 0.000 0.297 232 A C -1.504 176.099 177.584 0.033 0.000 1.062 232 A CA -0.857 51.242 52.037 0.104 0.000 0.686 232 A CB 1.066 20.113 19.000 0.077 0.000 1.285 232 A HN 0.253 nan 8.150 nan 0.000 0.403 233 V N 2.772 122.691 119.914 0.008 0.000 2.397 233 V HA 0.090 4.207 4.120 -0.004 0.000 0.262 233 V C 1.371 177.450 176.094 -0.026 0.000 1.047 233 V CA 0.978 63.260 62.300 -0.030 0.000 1.003 233 V CB 0.024 31.837 31.823 -0.017 0.000 1.037 233 V HN 1.065 nan 8.190 nan 0.000 0.480 234 E N 3.470 123.631 120.200 -0.064 0.000 2.478 234 E HA 0.096 4.444 4.350 -0.004 0.000 0.194 234 E C 0.576 177.171 176.600 -0.008 0.000 1.045 234 E CA -0.070 56.304 56.400 -0.043 0.000 0.868 234 E CB 0.591 30.250 29.700 -0.069 0.000 0.885 234 E HN 0.627 nan 8.360 nan 0.000 0.505 235 Q N 0.090 119.887 119.800 -0.004 0.000 2.479 235 Q HA 0.377 4.715 4.340 -0.004 0.000 0.276 235 Q C -2.214 173.924 176.000 0.230 0.000 0.989 235 Q CA -0.651 55.239 55.803 0.146 0.000 0.864 235 Q CB 2.354 31.215 28.738 0.204 0.000 1.444 235 Q HN 0.056 nan 8.270 nan 0.000 0.388 236 V N 2.549 122.711 119.914 0.412 0.000 2.735 236 V HA 0.739 4.857 4.120 -0.004 0.000 0.310 236 V C -1.377 175.088 176.094 0.618 0.000 1.061 236 V CA -0.589 61.978 62.300 0.445 0.000 0.913 236 V CB 1.912 33.919 31.823 0.306 0.000 1.005 236 V HN 0.857 nan 8.190 nan 0.000 0.428 237 W N 5.280 126.787 121.300 0.346 0.000 2.781 237 W HA 0.689 5.347 4.660 -0.004 0.000 0.333 237 W C -1.993 174.635 176.519 0.182 0.000 1.047 237 W CA -0.682 56.700 57.345 0.062 0.000 1.236 237 W CB 1.570 30.874 29.460 -0.261 0.000 1.394 237 W HN 0.579 nan 8.180 nan 0.000 0.466 238 Y N 6.775 126.763 120.300 -0.519 0.000 2.421 238 Y HA 0.253 4.800 4.550 -0.004 0.000 0.339 238 Y C 0.428 175.781 175.900 -0.911 0.000 0.996 238 Y CA -1.168 56.633 58.100 -0.497 0.000 1.046 238 Y CB 1.274 39.616 38.460 -0.197 0.000 1.226 238 Y HN 0.615 nan 8.280 nan 0.000 0.445 239 N N 3.983 121.732 118.700 -1.586 0.000 2.702 239 N HA -0.210 4.528 4.740 -0.004 0.000 0.255 239 N C 0.667 175.738 175.510 -0.732 0.000 0.983 239 N CA 2.144 54.562 53.050 -1.053 0.000 0.768 239 N CB -1.052 36.826 38.487 -1.015 0.000 0.918 239 N HN 1.508 nan 8.380 nan 0.000 0.540 240 G N -3.256 104.839 108.800 -1.175 0.000 2.176 240 G HA2 0.107 4.065 3.960 -0.004 0.000 0.232 240 G HA3 0.107 4.065 3.960 -0.004 0.000 0.232 240 G C 0.017 174.610 174.900 -0.512 0.000 0.986 240 G CA 0.811 45.630 45.100 -0.468 0.000 0.643 240 G HN 1.121 nan 8.290 nan 0.000 0.522 241 K N -0.475 119.386 120.400 -0.899 0.000 2.498 241 K HA 0.808 5.125 4.320 -0.004 0.000 0.254 241 K C -0.684 175.510 176.600 -0.676 0.000 0.933 241 K CA -0.775 55.164 56.287 -0.580 0.000 0.806 241 K CB 1.221 33.447 32.500 -0.456 0.000 1.301 241 K HN 0.538 nan 8.250 nan 0.000 0.432 242 F N 0.706 120.495 119.950 -0.268 0.000 2.375 242 F HA 0.486 5.011 4.527 -0.004 0.000 0.333 242 F C 0.832 176.458 175.800 -0.290 0.000 1.104 242 F CA 0.352 58.330 58.000 -0.037 0.000 1.149 242 F CB 1.414 40.490 39.000 0.128 0.000 1.190 242 F HN 0.683 nan 8.300 nan 0.000 0.533 243 Y N 0.155 120.611 120.300 0.260 0.000 2.563 243 Y HA 0.276 4.824 4.550 -0.004 0.000 0.250 243 Y C 1.480 177.449 175.900 0.115 0.000 1.126 243 Y CA 0.291 58.466 58.100 0.126 0.000 1.231 243 Y CB 0.873 39.352 38.460 0.032 0.000 1.288 243 Y HN 0.815 nan 8.280 nan 0.000 0.537 244 G N 0.883 109.845 108.800 0.271 0.000 4.754 244 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.222 244 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.222 244 G C 0.421 175.408 174.900 0.145 0.000 1.377 244 G CA 0.552 45.756 45.100 0.173 0.000 0.942 244 G HN 0.614 nan 8.290 nan 0.000 0.671 245 S N 0.065 115.842 115.700 0.128 0.000 2.661 245 S HA 0.775 5.243 4.470 -0.004 0.000 0.285 245 S C -1.997 172.623 174.600 0.033 0.000 1.138 245 S CA -0.421 57.822 58.200 0.071 0.000 0.855 245 S CB 2.653 65.878 63.200 0.041 0.000 1.136 245 S HN 0.163 nan 8.310 nan 0.000 0.484 246 P HA 0.097 nan 4.420 nan 0.000 0.215 246 P C 1.872 179.092 177.300 -0.132 0.000 1.157 246 P CA 2.207 65.252 63.100 -0.091 0.000 0.859 246 P CB -0.391 31.274 31.700 -0.058 0.000 0.786 247 E N 0.858 121.015 120.200 -0.073 0.000 2.130 247 E HA -0.310 4.038 4.350 -0.004 0.000 0.196 247 E C 2.010 178.570 176.600 -0.066 0.000 0.998 247 E CA 1.931 58.292 56.400 -0.064 0.000 0.806 247 E CB -1.617 28.065 29.700 -0.030 0.000 0.738 247 E HN 0.487 nan 8.360 nan 0.000 0.459 248 E N -0.772 119.406 120.200 -0.037 0.000 2.047 248 E HA -0.103 4.245 4.350 -0.004 0.000 0.191 248 E C 2.205 178.772 176.600 -0.054 0.000 0.987 248 E CA 1.076 57.478 56.400 0.003 0.000 0.799 248 E CB -0.145 29.601 29.700 0.078 0.000 0.752 248 E HN 0.418 nan 8.360 nan 0.000 0.449 249 L N 0.913 122.013 121.223 -0.204 0.000 2.083 249 L HA -0.103 4.235 4.340 -0.004 0.000 0.209 249 L C 2.182 178.770 176.870 -0.471 0.000 1.083 249 L CA 2.193 56.665 54.840 -0.612 0.000 0.752 249 L CB -0.737 40.759 42.059 -0.939 0.000 0.899 249 L HN 0.171 nan 8.230 nan 0.000 0.433 250 A N -0.225 122.393 122.820 -0.337 0.000 1.877 250 A HA -0.175 4.143 4.320 -0.004 0.000 0.216 250 A C 2.666 180.211 177.584 -0.064 0.000 1.186 250 A CA 2.560 54.480 52.037 -0.194 0.000 0.620 250 A CB -0.971 17.934 19.000 -0.157 0.000 0.822 250 A HN 0.468 nan 8.150 nan 0.000 0.443 251 R N 0.242 120.704 120.500 -0.063 0.000 2.073 251 R HA -0.115 4.223 4.340 -0.004 0.000 0.234 251 R C 2.186 178.474 176.300 -0.021 0.000 1.134 251 R CA 2.064 58.145 56.100 -0.031 0.000 0.952 251 R CB -1.181 29.109 30.300 -0.017 0.000 0.850 251 R HN 0.700 nan 8.270 nan 0.000 0.433 252 K N -1.182 119.209 120.400 -0.014 0.000 2.148 252 K HA -0.094 4.223 4.320 -0.004 0.000 0.204 252 K C 2.113 178.732 176.600 0.032 0.000 1.050 252 K CA 1.417 57.721 56.287 0.027 0.000 0.942 252 K CB -0.256 32.307 32.500 0.105 0.000 0.724 252 K HN 0.577 nan 8.250 nan 0.000 0.446 253 Y N 1.553 121.772 120.300 -0.135 0.000 2.130 253 Y HA -0.140 4.408 4.550 -0.003 0.000 0.287 253 Y C 2.226 178.107 175.900 -0.031 0.000 1.124 253 Y CA 1.230 59.278 58.100 -0.087 0.000 1.118 253 Y CB -0.671 37.712 38.460 -0.129 0.000 0.994 253 Y HN -0.005 nan 8.280 nan 0.000 0.497 254 A N 0.101 122.789 122.820 -0.221 0.000 1.997 254 A HA -0.221 4.097 4.320 -0.004 0.000 0.221 254 A C 1.168 178.631 177.584 -0.202 0.000 1.172 254 A CA 2.114 53.991 52.037 -0.266 0.000 0.645 254 A CB -0.862 18.082 19.000 -0.094 0.000 0.813 254 A HN 0.588 nan 8.150 nan 0.000 0.454 255 D N -1.129 119.198 120.400 -0.122 0.000 2.561 255 D HA 0.387 5.025 4.640 -0.004 0.000 0.232 255 D C 1.158 177.419 176.300 -0.065 0.000 1.198 255 D CA 0.763 54.718 54.000 -0.076 0.000 0.826 255 D CB -0.403 40.377 40.800 -0.033 0.000 0.992 255 D HN 0.489 nan 8.370 nan 0.000 0.490 256 G N 0.938 109.669 108.800 -0.114 0.000 2.212 256 G HA2 -0.400 3.557 3.960 -0.004 0.000 0.267 256 G HA3 -0.400 3.557 3.960 -0.004 0.000 0.267 256 G C 0.893 175.800 174.900 0.011 0.000 1.002 256 G CA 0.398 45.459 45.100 -0.064 0.000 0.729 256 G HN 0.432 nan 8.290 nan 0.000 0.517 257 E N -1.297 118.925 120.200 0.038 0.000 2.472 257 E HA 0.265 4.613 4.350 -0.004 0.000 0.196 257 E C 0.606 177.293 176.600 0.145 0.000 1.033 257 E CA 0.132 56.582 56.400 0.083 0.000 0.886 257 E CB 0.732 30.482 29.700 0.083 0.000 0.944 257 E HN 0.344 nan 8.360 nan 0.000 0.492 258 V N 2.571 122.592 119.914 0.179 0.000 2.311 258 V HA 0.120 4.238 4.120 -0.004 0.000 0.275 258 V C -0.563 175.693 176.094 0.269 0.000 1.022 258 V CA -0.853 61.595 62.300 0.247 0.000 0.830 258 V CB 1.128 33.070 31.823 0.199 0.000 1.012 258 V HN 0.020 nan 8.190 nan 0.000 0.452 259 D N 4.124 124.664 120.400 0.233 0.000 2.363 259 D HA 0.271 4.909 4.640 -0.004 0.000 0.263 259 D C 0.171 176.646 176.300 0.291 0.000 1.258 259 D CA 0.459 54.588 54.000 0.216 0.000 0.907 259 D CB 1.195 42.087 40.800 0.154 0.000 1.107 259 D HN 0.508 nan 8.370 nan 0.000 0.495 260 V N 0.378 120.474 119.914 0.304 0.000 3.096 260 V HA 0.732 4.850 4.120 -0.004 0.000 0.319 260 V C -0.158 176.086 176.094 0.250 0.000 1.103 260 V CA -0.864 61.658 62.300 0.369 0.000 1.016 260 V CB 2.063 34.044 31.823 0.265 0.000 1.090 260 V HN 0.118 nan 8.190 nan 0.000 0.449 261 V N 2.006 122.064 119.914 0.241 0.000 2.409 261 V HA 0.491 4.609 4.120 -0.004 0.000 0.291 261 V C -0.109 176.043 176.094 0.097 0.000 1.020 261 V CA -0.537 61.877 62.300 0.190 0.000 0.848 261 V CB 1.391 33.389 31.823 0.290 0.000 0.990 261 V HN 0.771 nan 8.190 nan 0.000 0.430 262 V N 6.265 126.229 119.914 0.082 0.000 2.407 262 V HA 0.403 4.521 4.120 -0.004 0.000 0.278 262 V C 0.249 176.375 176.094 0.053 0.000 1.037 262 V CA -0.377 61.944 62.300 0.035 0.000 0.900 262 V CB 1.309 33.161 31.823 0.049 0.000 0.983 262 V HN 0.629 nan 8.190 nan 0.000 0.459 263 L N 2.908 124.138 121.223 0.011 0.000 2.439 263 L HA 0.530 4.868 4.340 -0.004 0.000 0.259 263 L C 1.150 178.098 176.870 0.130 0.000 1.129 263 L CA -0.330 54.543 54.840 0.056 0.000 0.803 263 L CB 0.356 42.406 42.059 -0.015 0.000 1.161 263 L HN 0.863 nan 8.230 nan 0.000 0.462 279 P HA 0.400 nan 4.420 nan 0.000 0.268 279 P C -2.362 174.949 177.300 0.019 0.000 1.189 279 P CA -0.301 62.809 63.100 0.015 0.000 0.771 279 P CB 0.171 31.887 31.700 0.026 0.000 0.822 280 P HA 0.234 nan 4.420 nan 0.000 0.279 280 P C -0.729 176.588 177.300 0.030 0.000 1.252 280 P CA -0.703 62.405 63.100 0.013 0.000 0.811 280 P CB 0.461 32.164 31.700 0.005 0.000 1.035 281 L N 1.755 122.978 121.223 -0.000 0.000 2.485 281 L HA 0.017 4.355 4.340 -0.004 0.000 0.275 281 L C 1.613 178.469 176.870 -0.024 0.000 1.207 281 L CA 0.290 55.114 54.840 -0.027 0.000 0.855 281 L CB -0.499 41.493 42.059 -0.111 0.000 1.114 281 L HN 0.445 nan 8.230 nan 0.000 0.485 282 F N 0.320 120.271 119.950 0.001 0.000 2.269 282 F HA -0.121 4.404 4.527 -0.004 0.000 0.301 282 F C 1.998 177.777 175.800 -0.035 0.000 1.082 282 F CA 1.023 58.996 58.000 -0.044 0.000 1.360 282 F CB -1.144 37.766 39.000 -0.151 0.000 1.041 282 F HN 0.528 nan 8.300 nan 0.000 0.512 283 S N -0.135 115.119 115.700 -0.743 0.000 2.603 283 S HA 0.103 4.571 4.470 -0.004 0.000 0.220 283 S C 0.771 175.368 174.600 -0.004 0.000 0.967 283 S CA -0.125 57.852 58.200 -0.371 0.000 0.920 283 S CB -1.273 61.630 63.200 -0.495 0.000 0.773 283 S HN 0.546 nan 8.310 nan 0.000 0.529 284 S N 0.237 115.918 115.700 -0.031 0.000 2.687 284 S HA 0.465 4.933 4.470 -0.004 0.000 0.283 284 S C 0.019 174.637 174.600 0.030 0.000 1.170 284 S CA -0.657 57.575 58.200 0.054 0.000 1.008 284 S CB 0.491 63.699 63.200 0.013 0.000 1.026 284 S HN 0.330 nan 8.310 nan 0.000 0.541 285 H N -0.022 119.044 119.070 -0.007 0.000 2.533 285 H HA 0.307 4.861 4.556 -0.004 0.000 0.271 285 H C -0.098 175.204 175.328 -0.043 0.000 1.000 285 H CA 0.091 56.116 56.048 -0.038 0.000 1.149 285 H CB 0.018 29.749 29.762 -0.052 0.000 1.375 285 H HN 0.484 nan 8.280 nan 0.000 0.582 286 K N 1.771 122.202 120.400 0.052 0.000 2.350 286 K HA 0.131 4.449 4.320 -0.004 0.000 0.279 286 K C -2.360 174.231 176.600 -0.016 0.000 1.027 286 K CA -1.734 54.559 56.287 0.011 0.000 0.969 286 K CB 0.486 32.986 32.500 0.000 0.000 0.954 286 K HN 0.046 nan 8.250 nan 0.000 0.474 287 P HA 0.039 nan 4.420 nan 0.000 0.270 287 P C -0.821 176.441 177.300 -0.064 0.000 1.223 287 P CA -0.056 63.006 63.100 -0.063 0.000 0.785 287 P CB 0.632 32.286 31.700 -0.076 0.000 0.923 288 R N -0.034 120.411 120.500 -0.090 0.000 2.728 288 R HA 0.649 4.987 4.340 -0.004 0.000 0.274 288 R C -0.533 175.693 176.300 -0.122 0.000 1.030 288 R CA -0.321 55.731 56.100 -0.080 0.000 0.876 288 R CB 0.257 30.532 30.300 -0.040 0.000 1.259 288 R HN 0.738 nan 8.270 nan 0.000 0.468 289 G N 0.744 109.481 108.800 -0.105 0.000 2.787 289 G HA2 -0.099 3.859 3.960 -0.004 0.000 0.685 289 G HA3 -0.099 3.859 3.960 -0.004 0.000 0.685 289 G C -1.591 173.191 174.900 -0.197 0.000 1.437 289 G CA -0.122 44.901 45.100 -0.129 0.000 0.872 289 G HN 0.743 nan 8.290 nan 0.000 0.566 290 D N 0.055 120.352 120.400 -0.172 0.000 2.787 290 D HA 0.473 5.111 4.640 -0.004 0.000 0.246 290 D C -0.046 176.184 176.300 -0.118 0.000 1.150 290 D CA -0.389 53.501 54.000 -0.183 0.000 0.864 290 D CB 1.138 41.896 40.800 -0.070 0.000 1.481 290 D HN 0.179 nan 8.370 nan 0.000 0.509 291 F N 2.396 122.323 119.950 -0.038 0.000 2.572 291 F HA 0.119 4.644 4.527 -0.005 0.000 0.370 291 F C -0.627 175.149 175.800 -0.039 0.000 1.103 291 F CA -1.751 56.223 58.000 -0.043 0.000 1.286 291 F CB -0.003 38.961 39.000 -0.062 0.000 1.105 291 F HN 0.205 nan 8.300 nan 0.000 0.583 292 P HA -0.086 nan 4.420 nan 0.000 0.234 292 P C 0.182 177.517 177.300 0.059 0.000 1.167 292 P CA 0.734 63.882 63.100 0.080 0.000 0.763 292 P CB 0.431 32.163 31.700 0.054 0.000 0.835 293 S N 1.153 116.892 115.700 0.065 0.000 2.399 293 S HA 0.431 4.898 4.470 -0.004 0.000 0.215 293 S C -2.573 172.043 174.600 0.027 0.000 1.456 293 S CA -1.554 56.656 58.200 0.017 0.000 1.199 293 S CB 0.268 63.450 63.200 -0.030 0.000 1.063 293 S HN -0.101 nan 8.310 nan 0.000 0.476 294 P HA 0.443 nan 4.420 nan 0.000 0.274 294 P C -0.818 176.350 177.300 -0.220 0.000 1.246 294 P CA -0.527 62.541 63.100 -0.054 0.000 0.795 294 P CB 0.729 32.353 31.700 -0.127 0.000 1.006 295 I N 2.008 122.407 120.570 -0.286 0.000 2.476 295 I HA 0.179 4.347 4.170 -0.004 0.000 0.281 295 I C 0.762 176.717 176.117 -0.270 0.000 1.040 295 I CA -0.519 60.654 61.300 -0.211 0.000 1.094 295 I CB 1.397 39.379 38.000 -0.030 0.000 1.219 295 I HN 0.391 nan 8.210 nan 0.000 0.450 296 H N 4.924 124.013 119.070 0.031 0.000 2.652 296 H HA 0.244 4.797 4.556 -0.005 0.000 0.274 296 H C 0.169 175.500 175.328 0.005 0.000 1.021 296 H CA 0.266 56.323 56.048 0.015 0.000 1.187 296 H CB 0.817 30.584 29.762 0.009 0.000 1.505 296 H HN 0.397 nan 8.280 nan 0.000 0.530 297 V N -0.764 119.198 119.914 0.080 0.000 2.960 297 V HA 0.566 4.684 4.120 -0.004 0.000 0.315 297 V C 0.611 176.715 176.094 0.016 0.000 1.087 297 V CA -1.204 61.123 62.300 0.045 0.000 0.982 297 V CB 1.982 33.826 31.823 0.035 0.000 1.039 297 V HN 0.224 nan 8.190 nan 0.000 0.437 298 S N 1.829 117.533 115.700 0.005 0.000 2.572 298 S HA 0.576 5.044 4.470 -0.004 0.000 0.279 298 S C 0.540 175.134 174.600 -0.010 0.000 1.341 298 S CA 0.092 58.287 58.200 -0.008 0.000 1.043 298 S CB 0.638 63.829 63.200 -0.015 0.000 0.887 298 S HN 1.835 nan 8.310 nan 0.000 0.516 299 G N 1.430 110.220 108.800 -0.017 0.000 2.580 299 G HA2 0.537 4.495 3.960 -0.004 0.000 0.278 299 G HA3 0.537 4.495 3.960 -0.004 0.000 0.278 299 G C -2.492 172.398 174.900 -0.017 0.000 1.212 299 G CA -1.594 43.494 45.100 -0.020 0.000 0.939 299 G HN 0.654 nan 8.290 nan 0.000 0.513 300 P HA 0.215 nan 4.420 nan 0.000 0.266 300 P C -0.195 177.099 177.300 -0.009 0.000 1.193 300 P CA 0.241 63.335 63.100 -0.009 0.000 0.770 300 P CB 0.412 32.107 31.700 -0.008 0.000 0.836 301 R N 1.233 121.731 120.500 -0.003 0.000 2.837 301 R HA 0.622 4.959 4.340 -0.004 0.000 0.271 301 R C -0.984 175.320 176.300 0.007 0.000 0.993 301 R CA -1.082 55.017 56.100 -0.003 0.000 0.931 301 R CB 0.925 31.224 30.300 -0.002 0.000 1.206 301 R HN 0.196 nan 8.270 nan 0.000 0.474 302 L N 2.366 123.594 121.223 0.008 0.000 2.380 302 L HA 0.352 4.690 4.340 -0.004 0.000 0.273 302 L C 0.128 177.012 176.870 0.024 0.000 1.138 302 L CA -0.887 53.967 54.840 0.022 0.000 0.832 302 L CB 1.381 43.455 42.059 0.026 0.000 1.124 302 L HN 0.550 nan 8.230 nan 0.000 0.454 303 V N 1.438 121.368 119.914 0.026 0.000 2.581 303 V HA 0.453 4.571 4.120 -0.004 0.000 0.303 303 V C -0.362 175.745 176.094 0.022 0.000 1.041 303 V CA -0.725 61.584 62.300 0.016 0.000 0.907 303 V CB 1.670 33.492 31.823 -0.002 0.000 0.994 303 V HN 0.896 nan 8.190 nan 0.000 0.442 304 Q N 4.024 123.832 119.800 0.012 0.000 2.943 304 Q HA 0.402 4.739 4.340 -0.004 0.000 0.327 304 Q C -1.839 174.131 176.000 -0.049 0.000 0.937 304 Q CA -1.695 54.118 55.803 0.016 0.000 0.914 304 Q CB 1.604 30.374 28.738 0.054 0.000 1.339 304 Q HN 0.769 nan 8.270 nan 0.000 0.417 305 P HA -0.163 nan 4.420 nan 0.000 0.219 305 P C 0.226 177.341 177.300 -0.309 0.000 1.146 305 P CA 1.194 64.125 63.100 -0.282 0.000 0.808 305 P CB 0.230 31.661 31.700 -0.448 0.000 0.779 306 H N -0.904 118.181 119.070 0.026 0.000 2.517 306 H HA 0.360 4.930 4.556 0.023 0.000 0.282 306 H C 1.444 176.773 175.328 0.002 0.000 1.023 306 H CA 0.664 56.723 56.048 0.018 0.000 1.169 306 H CB -0.139 29.639 29.762 0.027 0.000 1.454 306 H HN 0.155 nan 8.280 nan 0.000 0.556 307 G N 1.885 110.717 108.800 0.054 0.000 2.782 307 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.228 307 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.228 307 G C -2.685 172.191 174.900 -0.040 0.000 1.372 307 G CA -1.115 43.986 45.100 0.001 0.000 0.862 307 G HN 0.129 nan 8.290 nan 0.000 0.547 308 P HA 0.328 nan 4.420 nan 0.000 0.271 308 P C 0.564 177.680 177.300 -0.307 0.000 1.216 308 P CA -0.104 62.736 63.100 -0.433 0.000 0.771 308 P CB 0.519 31.625 31.700 -0.990 0.000 0.864 309 R N 1.968 122.402 120.500 -0.111 0.000 2.317 309 R HA 0.177 4.515 4.340 -0.004 0.000 0.208 309 R C 0.279 176.697 176.300 0.197 0.000 0.914 309 R CA 0.175 56.324 56.100 0.081 0.000 1.060 309 R CB -0.316 30.120 30.300 0.227 0.000 1.015 309 R HN 0.523 nan 8.270 nan 0.000 0.498 310 F N -0.910 119.149 119.950 0.181 0.000 2.507 310 F HA 0.561 5.084 4.527 -0.006 0.000 0.327 310 F C -0.259 175.581 175.800 0.067 0.000 1.068 310 F CA -1.603 56.496 58.000 0.165 0.000 0.965 310 F CB 0.881 39.949 39.000 0.114 0.000 1.192 310 F HN -0.388 nan 8.300 nan 0.000 0.476 311 R N 2.907 123.517 120.500 0.184 0.000 2.265 311 R HA 0.541 4.878 4.340 -0.004 0.000 0.328 311 R C -1.513 174.863 176.300 0.128 0.000 0.969 311 R CA -0.951 55.190 56.100 0.068 0.000 0.832 311 R CB 1.774 32.090 30.300 0.028 0.000 1.139 311 R HN 0.697 nan 8.270 nan 0.000 0.457 312 L N 2.495 123.801 121.223 0.138 0.000 2.295 312 L HA 0.376 4.714 4.340 -0.004 0.000 0.285 312 L C -0.717 176.196 176.870 0.072 0.000 1.035 312 L CA 0.103 55.034 54.840 0.152 0.000 0.806 312 L CB 1.178 43.386 42.059 0.247 0.000 1.214 312 L HN 0.478 nan 8.230 nan 0.000 0.426 313 E N 4.324 124.545 120.200 0.034 0.000 2.361 313 E HA 0.486 4.834 4.350 -0.004 0.000 0.270 313 E C 0.310 176.900 176.600 -0.017 0.000 0.911 313 E CA 0.382 56.788 56.400 0.010 0.000 0.818 313 E CB 1.307 31.003 29.700 -0.007 0.000 1.332 313 E HN 0.898 nan 8.360 nan 0.000 0.402 314 G N 4.606 113.406 108.800 0.000 0.000 2.591 314 G HA2 -0.381 3.577 3.960 -0.004 0.000 0.298 314 G HA3 -0.381 3.577 3.960 -0.004 0.000 0.298 314 G C 0.432 175.264 174.900 -0.113 0.000 1.195 314 G CA 0.551 45.631 45.100 -0.033 0.000 0.989 314 G HN 0.584 nan 8.290 nan 0.000 0.551 315 N N 1.839 120.369 118.700 -0.283 0.000 2.320 315 N HA 0.563 5.301 4.740 -0.004 0.000 0.237 315 N C 0.139 175.280 175.510 -0.615 0.000 1.129 315 N CA 1.006 53.580 53.050 -0.793 0.000 0.854 315 N CB 0.390 38.376 38.487 -0.835 0.000 1.083 315 N HN 1.404 nan 8.380 nan 0.000 0.504 316 A N 0.118 122.769 122.820 -0.281 0.000 2.318 316 A HA 0.674 4.992 4.320 -0.004 0.000 0.317 316 A C -0.793 176.662 177.584 -0.215 0.000 1.159 316 A CA -0.596 51.301 52.037 -0.233 0.000 0.799 316 A CB 1.472 20.389 19.000 -0.138 0.000 1.194 316 A HN 0.053 nan 8.150 nan 0.000 0.479 317 V N 3.365 123.018 119.914 -0.434 0.000 2.628 317 V HA 0.565 4.683 4.120 -0.004 0.000 0.306 317 V C -0.361 175.517 176.094 -0.359 0.000 1.045 317 V CA -0.430 61.606 62.300 -0.439 0.000 0.905 317 V CB 1.608 32.903 31.823 -0.880 0.000 0.997 317 V HN 0.794 nan 8.190 nan 0.000 0.436 318 L N 4.141 125.311 121.223 -0.087 0.000 2.362 318 L HA 0.628 4.966 4.340 -0.004 0.000 0.271 318 L C -1.446 175.553 176.870 0.216 0.000 1.002 318 L CA -0.759 54.096 54.840 0.024 0.000 0.818 318 L CB 2.015 44.081 42.059 0.011 0.000 1.298 318 L HN 0.730 nan 8.230 nan 0.000 0.420 319 Y N 2.359 122.730 120.300 0.118 0.000 2.325 319 Y HA 0.514 5.060 4.550 -0.006 0.000 0.336 319 Y C 0.404 176.434 175.900 0.215 0.000 1.130 319 Y CA 0.059 58.276 58.100 0.195 0.000 1.264 319 Y CB 1.042 39.617 38.460 0.191 0.000 1.128 319 Y HN 0.807 nan 8.280 nan 0.000 0.469 320 G N 3.434 112.088 108.800 -0.244 0.000 2.634 320 G HA2 -0.419 3.539 3.960 -0.004 0.000 0.318 320 G HA3 -0.419 3.539 3.960 -0.004 0.000 0.318 320 G C 1.291 175.988 174.900 -0.338 0.000 1.207 320 G CA 0.510 45.431 45.100 -0.299 0.000 0.987 320 G HN 1.598 nan 8.290 nan 0.000 0.547 321 G N -0.391 108.020 108.800 -0.648 0.000 2.509 321 G HA2 0.153 4.111 3.960 -0.004 0.000 0.218 321 G HA3 0.153 4.111 3.960 -0.004 0.000 0.218 321 G C 0.692 174.946 174.900 -1.076 0.000 1.124 321 G CA 0.826 45.116 45.100 -1.350 0.000 0.776 321 G HN 0.504 nan 8.290 nan 0.000 0.547 322 W N 0.005 121.071 121.300 -0.389 0.000 2.251 322 W HA 0.595 5.252 4.660 -0.004 0.000 0.329 322 W C 0.416 176.932 176.519 -0.004 0.000 1.234 322 W CA -0.444 56.895 57.345 -0.010 0.000 1.228 322 W CB 1.335 30.934 29.460 0.231 0.000 1.135 322 W HN -0.041 nan 8.180 nan 0.000 0.576 323 S N 4.051 119.974 115.700 0.372 0.000 2.572 323 S HA 0.785 5.252 4.470 -0.004 0.000 0.274 323 S C -1.314 173.449 174.600 0.271 0.000 1.150 323 S CA -0.716 57.572 58.200 0.146 0.000 0.944 323 S CB 0.207 63.405 63.200 -0.003 0.000 1.071 323 S HN 0.507 nan 8.310 nan 0.000 0.479 324 F N 1.494 121.438 119.950 -0.010 0.000 2.744 324 F HA 0.873 5.397 4.527 -0.005 0.000 0.311 324 F C -0.733 175.016 175.800 -0.086 0.000 1.144 324 F CA -0.850 57.117 58.000 -0.055 0.000 0.938 324 F CB 0.565 39.512 39.000 -0.089 0.000 1.292 324 F HN 0.733 nan 8.300 nan 0.000 0.444 325 A N 1.580 124.410 122.820 0.017 0.000 2.261 325 A HA 0.978 5.296 4.320 -0.004 0.000 0.323 325 A C -1.316 176.372 177.584 0.174 0.000 1.107 325 A CA -0.477 51.513 52.037 -0.078 0.000 0.883 325 A CB 1.010 19.924 19.000 -0.144 0.000 1.251 325 A HN 1.429 nan 8.150 nan 0.000 0.502 326 F N -1.695 118.296 119.950 0.068 0.000 2.685 326 F HA 0.892 5.417 4.527 -0.003 0.000 0.315 326 F C -0.573 175.278 175.800 0.084 0.000 1.126 326 F CA -1.080 56.974 58.000 0.090 0.000 0.950 326 F CB 1.355 40.460 39.000 0.174 0.000 1.360 326 F HN 0.908 nan 8.300 nan 0.000 0.469 327 R N 1.023 121.751 120.500 0.380 0.000 2.664 327 R HA 0.657 4.995 4.340 -0.004 0.000 0.266 327 R C -2.564 173.893 176.300 0.263 0.000 1.046 327 R CA -1.039 55.224 56.100 0.272 0.000 0.885 327 R CB 1.603 31.994 30.300 0.152 0.000 1.254 327 R HN 0.889 nan 8.270 nan 0.000 0.465 328 L N 2.650 124.008 121.223 0.225 0.000 2.283 328 L HA 0.483 4.821 4.340 -0.004 0.000 0.281 328 L C 0.088 177.043 176.870 0.142 0.000 1.033 328 L CA -0.757 54.181 54.840 0.163 0.000 0.848 328 L CB 1.296 43.471 42.059 0.194 0.000 1.226 328 L HN 0.569 nan 8.230 nan 0.000 0.429 329 R N 1.481 122.031 120.500 0.084 0.000 2.370 329 R HA 0.088 4.426 4.340 -0.004 0.000 0.309 329 R C 1.090 177.395 176.300 0.008 0.000 1.059 329 R CA -0.011 56.131 56.100 0.071 0.000 0.981 329 R CB 0.971 31.305 30.300 0.057 0.000 0.972 329 R HN 0.613 nan 8.270 nan 0.000 0.437 330 S N 1.422 117.141 115.700 0.032 0.000 2.383 330 S HA -0.191 4.277 4.470 -0.004 0.000 0.229 330 S C 1.708 176.221 174.600 -0.145 0.000 1.030 330 S CA 1.797 59.928 58.200 -0.115 0.000 1.002 330 S CB -0.022 63.197 63.200 0.032 0.000 0.829 330 S HN 0.846 nan 8.310 nan 0.000 0.467 331 S N 1.424 117.120 115.700 -0.007 0.000 2.377 331 S HA -0.013 4.455 4.470 -0.004 0.000 0.223 331 S C 1.918 176.499 174.600 -0.031 0.000 1.030 331 S CA 1.039 59.256 58.200 0.028 0.000 0.970 331 S CB -0.367 62.895 63.200 0.104 0.000 0.830 331 S HN 0.592 nan 8.310 nan 0.000 0.473 332 S N 0.236 115.904 115.700 -0.053 0.000 2.524 332 S HA 0.611 5.078 4.470 -0.004 0.000 0.222 332 S C 1.100 175.572 174.600 -0.213 0.000 1.040 332 S CA 0.287 58.427 58.200 -0.100 0.000 0.915 332 S CB 0.144 63.309 63.200 -0.059 0.000 0.831 332 S HN 1.357 nan 8.310 nan 0.000 0.492 333 G N 1.203 109.881 108.800 -0.204 0.000 2.342 333 G HA2 0.089 4.046 3.960 -0.004 0.000 0.220 333 G HA3 0.089 4.046 3.960 -0.004 0.000 0.220 333 G C -1.136 173.655 174.900 -0.181 0.000 1.243 333 G CA -0.500 44.419 45.100 -0.302 0.000 1.083 333 G HN 0.758 nan 8.290 nan 0.000 0.500 334 L N 1.123 122.215 121.223 -0.217 0.000 2.397 334 L HA 0.686 5.023 4.340 -0.004 0.000 0.271 334 L C 0.515 177.491 176.870 0.177 0.000 1.148 334 L CA 0.309 55.165 54.840 0.025 0.000 0.825 334 L CB 0.788 42.884 42.059 0.062 0.000 1.117 334 L HN 0.715 nan 8.230 nan 0.000 0.456 335 Q N 3.842 123.761 119.800 0.197 0.000 2.451 335 Q HA 0.730 5.068 4.340 -0.004 0.000 0.281 335 Q C -1.422 174.579 176.000 0.001 0.000 1.099 335 Q CA -1.106 54.753 55.803 0.094 0.000 0.806 335 Q CB 2.535 31.291 28.738 0.030 0.000 1.419 335 Q HN 0.566 nan 8.270 nan 0.000 0.427 336 V N -0.980 118.761 119.914 -0.289 0.000 2.680 336 V HA 0.803 4.921 4.120 -0.004 0.000 0.309 336 V C -0.962 174.955 176.094 -0.295 0.000 1.052 336 V CA -0.822 61.329 62.300 -0.249 0.000 0.908 336 V CB 1.493 33.024 31.823 -0.485 0.000 1.001 336 V HN 0.662 nan 8.190 nan 0.000 0.431 337 L N 2.488 123.524 121.223 -0.310 0.000 2.409 337 L HA 0.642 4.979 4.340 -0.004 0.000 0.262 337 L C 0.317 176.797 176.870 -0.649 0.000 0.992 337 L CA -0.659 53.780 54.840 -0.669 0.000 0.817 337 L CB 1.970 43.387 42.059 -1.070 0.000 1.350 337 L HN 0.893 nan 8.230 nan 0.000 0.411 338 N N 1.070 119.381 118.700 -0.649 0.000 2.740 338 N HA -0.158 4.580 4.740 -0.004 0.000 0.248 338 N C -0.888 174.711 175.510 0.149 0.000 1.062 338 N CA 0.404 53.335 53.050 -0.199 0.000 0.704 338 N CB -0.625 37.754 38.487 -0.181 0.000 0.968 338 N HN 0.317 nan 8.380 nan 0.000 0.547 339 V N 2.448 122.421 119.914 0.099 0.000 2.446 339 V HA 0.142 4.260 4.120 -0.004 0.000 0.276 339 V C 0.964 177.245 176.094 0.311 0.000 1.030 339 V CA 0.071 62.539 62.300 0.279 0.000 1.033 339 V CB 0.364 32.303 31.823 0.193 0.000 0.993 339 V HN 0.279 nan 8.190 nan 0.000 0.477 340 H N 3.871 123.085 119.070 0.239 0.000 2.616 340 H HA 0.521 5.075 4.556 -0.004 0.000 0.353 340 H C -1.286 174.158 175.328 0.193 0.000 1.170 340 H CA -0.638 55.517 56.048 0.179 0.000 1.212 340 H CB 2.644 32.477 29.762 0.119 0.000 1.653 340 H HN 0.582 nan 8.280 nan 0.000 0.537 341 F N 0.012 119.994 119.950 0.054 0.000 2.539 341 F HA 0.355 4.879 4.527 -0.005 0.000 0.328 341 F C 0.597 176.472 175.800 0.125 0.000 1.148 341 F CA 0.115 58.036 58.000 -0.131 0.000 0.940 341 F CB 1.282 40.014 39.000 -0.448 0.000 1.194 341 F HN 0.855 nan 8.300 nan 0.000 0.438 342 G N 3.452 112.158 108.800 -0.157 0.000 2.246 342 G HA2 0.061 4.019 3.960 -0.004 0.000 0.273 342 G HA3 0.061 4.019 3.960 -0.004 0.000 0.273 342 G C 1.043 176.030 174.900 0.145 0.000 1.055 342 G CA 0.593 45.718 45.100 0.041 0.000 0.851 342 G HN 2.158 nan 8.290 nan 0.000 0.500 343 G N -1.528 107.355 108.800 0.138 0.000 2.253 343 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.251 343 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.251 343 G C 0.145 175.250 174.900 0.342 0.000 0.998 343 G CA 0.929 46.143 45.100 0.190 0.000 0.621 343 G HN 1.048 nan 8.290 nan 0.000 0.524 344 E N 0.534 120.915 120.200 0.302 0.000 2.166 344 E HA 0.463 4.810 4.350 -0.004 0.000 0.275 344 E C 0.392 176.984 176.600 -0.014 0.000 0.941 344 E CA -0.877 55.642 56.400 0.198 0.000 0.784 344 E CB 1.529 31.379 29.700 0.250 0.000 1.115 344 E HN 0.344 nan 8.360 nan 0.000 0.399 345 R N 2.869 123.170 120.500 -0.332 0.000 2.643 345 R HA 0.092 4.430 4.340 -0.004 0.000 0.270 345 R C 1.040 177.215 176.300 -0.207 0.000 1.061 345 R CA 0.367 56.117 56.100 -0.583 0.000 1.107 345 R CB 0.396 30.416 30.300 -0.468 0.000 0.999 345 R HN 0.721 nan 8.270 nan 0.000 0.460 346 I N -0.390 120.031 120.570 -0.247 0.000 4.197 346 I HA 0.437 4.605 4.170 -0.004 0.000 0.307 346 I C -0.205 175.754 176.117 -0.264 0.000 1.236 346 I CA -0.118 60.973 61.300 -0.348 0.000 1.321 346 I CB 0.889 38.475 38.000 -0.689 0.000 1.309 346 I HN 0.439 nan 8.210 nan 0.000 0.450 347 A N 0.027 122.743 122.820 -0.174 0.000 2.402 347 A HA 0.409 4.727 4.320 -0.004 0.000 0.291 347 A C -0.409 177.138 177.584 -0.061 0.000 1.051 347 A CA -0.549 51.408 52.037 -0.134 0.000 0.716 347 A CB 0.507 19.400 19.000 -0.178 0.000 1.223 347 A HN 0.358 nan 8.150 nan 0.000 0.425 348 Y N 1.877 122.101 120.300 -0.127 0.000 2.224 348 Y HA 0.040 4.589 4.550 -0.003 0.000 0.289 348 Y C 0.794 176.619 175.900 -0.125 0.000 1.146 348 Y CA 2.548 60.593 58.100 -0.092 0.000 1.182 348 Y CB 0.355 38.776 38.460 -0.065 0.000 0.983 348 Y HN 0.697 nan 8.280 nan 0.000 0.524 349 E N -0.149 119.988 120.200 -0.105 0.000 2.335 349 E HA 0.487 4.835 4.350 -0.004 0.000 0.280 349 E C -2.142 174.349 176.600 -0.181 0.000 0.918 349 E CA -0.668 55.620 56.400 -0.187 0.000 0.765 349 E CB 1.911 31.578 29.700 -0.054 0.000 1.218 349 E HN -0.155 nan 8.360 nan 0.000 0.425 350 V N 2.710 122.478 119.914 -0.244 0.000 2.577 350 V HA 0.635 4.752 4.120 -0.004 0.000 0.303 350 V C -0.661 175.362 176.094 -0.119 0.000 1.042 350 V CA -0.587 61.591 62.300 -0.203 0.000 0.872 350 V CB 1.422 33.054 31.823 -0.318 0.000 0.998 350 V HN 0.727 nan 8.190 nan 0.000 0.423 351 S N 2.640 118.401 115.700 0.101 0.000 2.537 351 S HA 0.701 5.169 4.470 -0.004 0.000 0.270 351 S C -0.970 173.705 174.600 0.125 0.000 1.142 351 S CA -0.834 57.449 58.200 0.137 0.000 0.870 351 S CB 1.680 64.885 63.200 0.009 0.000 1.112 351 S HN 0.442 nan 8.310 nan 0.000 0.466 352 V N 3.433 123.307 119.914 -0.066 0.000 2.521 352 V HA 0.182 4.300 4.120 -0.004 0.000 0.286 352 V C 0.696 176.579 176.094 -0.352 0.000 1.034 352 V CA 0.243 62.250 62.300 -0.488 0.000 1.045 352 V CB 0.867 32.185 31.823 -0.842 0.000 0.974 352 V HN 0.946 nan 8.190 nan 0.000 0.480 353 Q N 2.457 122.031 119.800 -0.376 0.000 2.462 353 Q HA 0.278 4.616 4.340 -0.004 0.000 0.224 353 Q C 0.420 176.284 176.000 -0.227 0.000 0.911 353 Q CA 0.393 56.063 55.803 -0.221 0.000 0.925 353 Q CB 0.996 29.651 28.738 -0.139 0.000 1.063 353 Q HN 0.830 nan 8.270 nan 0.000 0.572 354 E N -0.965 119.046 120.200 -0.315 0.000 2.388 354 E HA 0.617 4.965 4.350 -0.004 0.000 0.280 354 E C -2.073 174.468 176.600 -0.098 0.000 1.019 354 E CA -0.384 55.918 56.400 -0.163 0.000 0.806 354 E CB 1.748 31.394 29.700 -0.090 0.000 1.246 354 E HN 0.066 nan 8.360 nan 0.000 0.443 355 A N 2.230 125.111 122.820 0.101 0.000 2.381 355 A HA 0.746 5.064 4.320 -0.004 0.000 0.299 355 A C -1.395 176.352 177.584 0.271 0.000 1.049 355 A CA -0.552 51.596 52.037 0.183 0.000 0.715 355 A CB 1.262 20.399 19.000 0.228 0.000 1.222 355 A HN 0.325 nan 8.150 nan 0.000 0.428 356 V N 0.848 120.934 119.914 0.288 0.000 2.823 356 V HA 0.860 4.978 4.120 -0.004 0.000 0.312 356 V C 0.107 176.312 176.094 0.184 0.000 1.072 356 V CA -0.219 62.243 62.300 0.269 0.000 0.937 356 V CB 2.021 34.009 31.823 0.275 0.000 1.013 356 V HN 1.459 nan 8.190 nan 0.000 0.430 357 A N 5.045 127.971 122.820 0.177 0.000 2.410 357 A HA 0.819 5.136 4.320 -0.004 0.000 0.289 357 A C -1.149 176.437 177.584 0.004 0.000 1.200 357 A CA -0.367 51.684 52.037 0.022 0.000 0.751 357 A CB 0.636 19.752 19.000 0.193 0.000 1.161 357 A HN 0.746 nan 8.150 nan 0.000 0.459 358 L N 3.002 124.120 121.223 -0.175 0.000 2.280 358 L HA 0.521 4.859 4.340 -0.004 0.000 0.287 358 L C -1.003 175.774 176.870 -0.156 0.000 1.023 358 L CA -0.494 54.297 54.840 -0.082 0.000 0.819 358 L CB 0.840 42.844 42.059 -0.092 0.000 1.212 358 L HN 0.719 nan 8.230 nan 0.000 0.420 359 Y N 0.922 121.212 120.300 -0.017 0.000 2.567 359 Y HA 0.711 5.259 4.550 -0.004 0.000 0.333 359 Y C 0.878 176.764 175.900 -0.024 0.000 1.106 359 Y CA -0.618 57.492 58.100 0.017 0.000 1.157 359 Y CB 2.025 40.497 38.460 0.020 0.000 1.277 359 Y HN 0.544 nan 8.280 nan 0.000 0.490 360 G N -0.775 108.121 108.800 0.160 0.000 2.552 360 G HA2 0.662 4.620 3.960 -0.004 0.000 0.324 360 G HA3 0.662 4.620 3.960 -0.004 0.000 0.324 360 G C -0.845 174.014 174.900 -0.068 0.000 1.217 360 G CA -0.614 44.490 45.100 0.007 0.000 0.989 360 G HN 0.897 nan 8.290 nan 0.000 0.490 361 G N -3.824 104.736 108.800 -0.399 0.000 2.632 361 G HA2 0.567 4.524 3.960 -0.004 0.000 0.292 361 G HA3 0.567 4.524 3.960 -0.004 0.000 0.292 361 G C -0.016 174.556 174.900 -0.547 0.000 1.465 361 G CA 0.690 45.581 45.100 -0.350 0.000 0.824 361 G HN 1.208 nan 8.290 nan 0.000 0.509 362 H N -1.237 117.749 119.070 -0.141 0.000 2.448 362 H HA 0.412 4.966 4.556 -0.004 0.000 0.292 362 H C 1.904 177.078 175.328 -0.256 0.000 1.035 362 H CA 2.217 58.246 56.048 -0.032 0.000 1.349 362 H CB -0.219 29.595 29.762 0.086 0.000 1.425 362 H HN 0.986 nan 8.280 nan 0.000 0.539 363 T N -2.384 111.894 114.554 -0.461 0.000 2.918 363 T HA 0.293 4.640 4.350 -0.004 0.000 0.283 363 T C -1.513 172.662 174.700 -0.875 0.000 1.001 363 T CA -1.291 60.223 62.100 -0.977 0.000 1.041 363 T CB 2.125 70.332 68.868 -1.101 0.000 1.028 363 T HN 0.112 nan 8.240 nan 0.000 0.511 364 P HA -0.092 nan 4.420 nan 0.000 0.215 364 P C 1.564 178.248 177.300 -1.028 0.000 1.153 364 P CA 1.579 64.005 63.100 -1.124 0.000 0.853 364 P CB -0.363 30.222 31.700 -1.859 0.000 0.788 365 A N 0.322 122.627 122.820 -0.858 0.000 1.898 365 A HA -0.040 4.278 4.320 -0.004 0.000 0.216 365 A C 2.635 180.072 177.584 -0.245 0.000 1.181 365 A CA 2.064 53.895 52.037 -0.344 0.000 0.620 365 A CB -1.913 17.041 19.000 -0.077 0.000 0.819 365 A HN 0.285 nan 8.150 nan 0.000 0.442 366 G N 0.514 109.132 108.800 -0.305 0.000 2.418 366 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.217 366 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.217 366 G C 1.662 176.455 174.900 -0.179 0.000 1.158 366 G CA 1.416 46.384 45.100 -0.219 0.000 0.771 366 G HN 0.729 nan 8.290 nan 0.000 0.545 367 M N -0.602 118.842 119.600 -0.259 0.000 2.476 367 M HA 0.251 4.729 4.480 -0.004 0.000 0.262 367 M C 2.142 178.370 176.300 -0.119 0.000 1.079 367 M CA 1.604 56.783 55.300 -0.202 0.000 1.104 367 M CB 0.070 32.523 32.600 -0.245 0.000 1.409 367 M HN 0.175 nan 8.290 nan 0.000 0.467 368 Q N 1.624 121.341 119.800 -0.138 0.000 2.432 368 Q HA 0.121 4.459 4.340 -0.004 0.000 0.205 368 Q C -0.349 175.617 176.000 -0.058 0.000 0.945 368 Q CA 0.752 56.529 55.803 -0.043 0.000 0.924 368 Q CB 0.109 28.856 28.738 0.015 0.000 1.016 368 Q HN 0.446 nan 8.270 nan 0.000 0.503 369 T N 1.654 116.142 114.554 -0.110 0.000 2.739 369 T HA 0.333 4.681 4.350 -0.004 0.000 0.298 369 T C -0.673 173.971 174.700 -0.092 0.000 0.929 369 T CA -0.254 61.690 62.100 -0.261 0.000 1.014 369 T CB 0.421 68.990 68.868 -0.498 0.000 0.914 369 T HN 0.030 nan 8.240 nan 0.000 0.509 370 K N 3.484 123.800 120.400 -0.141 0.000 2.579 370 K HA 0.285 4.603 4.320 -0.004 0.000 0.225 370 K C -1.251 175.362 176.600 0.021 0.000 0.992 370 K CA -0.637 55.636 56.287 -0.023 0.000 1.018 370 K CB 0.953 33.429 32.500 -0.040 0.000 1.249 370 K HN 0.450 nan 8.250 nan 0.000 0.489 371 Y N 2.307 122.690 120.300 0.138 0.000 2.336 371 Y HA 0.240 4.788 4.550 -0.003 0.000 0.335 371 Y C -0.237 175.772 175.900 0.182 0.000 1.046 371 Y CA -0.783 57.402 58.100 0.141 0.000 1.198 371 Y CB 0.700 39.165 38.460 0.009 0.000 1.182 371 Y HN 0.277 nan 8.280 nan 0.000 0.502 372 L N 4.474 125.968 121.223 0.453 0.000 2.318 372 L HA 0.330 4.667 4.340 -0.004 0.000 0.277 372 L C 0.609 177.752 176.870 0.456 0.000 1.008 372 L CA -0.498 54.571 54.840 0.383 0.000 0.846 372 L CB 1.355 43.614 42.059 0.333 0.000 1.220 372 L HN 0.556 nan 8.230 nan 0.000 0.423 373 D N 1.577 122.184 120.400 0.344 0.000 2.312 373 D HA -0.075 4.563 4.640 -0.004 0.000 0.211 373 D C 1.964 178.481 176.300 0.360 0.000 0.964 373 D CA 0.733 54.925 54.000 0.320 0.000 0.877 373 D CB 0.458 41.396 40.800 0.231 0.000 0.924 373 D HN 0.292 nan 8.370 nan 0.000 0.515 374 V N 0.865 120.935 119.914 0.261 0.000 2.759 374 V HA -0.108 4.010 4.120 -0.004 0.000 0.256 374 V C 2.404 178.625 176.094 0.211 0.000 1.080 374 V CA 1.726 64.127 62.300 0.167 0.000 1.101 374 V CB -0.742 31.132 31.823 0.085 0.000 0.698 374 V HN 0.254 nan 8.190 nan 0.000 0.477 375 G N -1.605 107.367 108.800 0.286 0.000 2.625 375 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.214 375 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.214 375 G C 0.836 175.779 174.900 0.073 0.000 1.132 375 G CA 0.136 45.323 45.100 0.145 0.000 0.782 375 G HN 0.684 nan 8.290 nan 0.000 0.538 376 W N -0.758 120.650 121.300 0.180 0.000 2.862 376 W HA 0.473 5.131 4.660 -0.003 0.000 0.376 376 W C 1.192 177.685 176.519 -0.044 0.000 1.028 376 W CA -0.580 56.875 57.345 0.184 0.000 1.757 376 W CB 0.155 29.689 29.460 0.123 0.000 1.128 376 W HN 0.258 nan 8.180 nan 0.000 0.566 377 G N 2.095 110.876 108.800 -0.031 0.000 2.470 377 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.286 377 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.286 377 G C 0.540 175.222 174.900 -0.362 0.000 1.115 377 G CA 0.047 44.753 45.100 -0.655 0.000 1.122 377 G HN 0.275 nan 8.290 nan 0.000 0.522 378 L N 0.612 121.753 121.223 -0.138 0.000 2.127 378 L HA 0.190 4.527 4.340 -0.004 0.000 0.211 378 L C 2.427 179.185 176.870 -0.188 0.000 1.089 378 L CA 3.364 58.157 54.840 -0.078 0.000 0.757 378 L CB -0.446 41.599 42.059 -0.023 0.000 0.899 378 L HN 0.557 nan 8.230 nan 0.000 0.434 379 G N -2.549 106.081 108.800 -0.283 0.000 2.777 379 G HA2 -0.075 3.883 3.960 -0.004 0.000 0.211 379 G HA3 -0.075 3.883 3.960 -0.004 0.000 0.211 379 G C 1.386 175.888 174.900 -0.664 0.000 1.149 379 G CA 0.581 45.477 45.100 -0.341 0.000 0.785 379 G HN 0.427 nan 8.290 nan 0.000 0.536 380 S N -0.229 114.986 115.700 -0.809 0.000 2.548 380 S HA 0.056 4.523 4.470 -0.004 0.000 0.215 380 S C 1.426 175.500 174.600 -0.877 0.000 0.976 380 S CA 0.337 57.813 58.200 -1.206 0.000 0.908 380 S CB 0.583 63.202 63.200 -0.969 0.000 0.781 380 S HN 0.394 nan 8.310 nan 0.000 0.519 381 V N 1.189 120.772 119.914 -0.552 0.000 2.955 381 V HA 0.329 4.447 4.120 -0.004 0.000 0.379 381 V C 0.393 176.263 176.094 -0.374 0.000 1.288 381 V CA -0.533 61.523 62.300 -0.407 0.000 1.358 381 V CB -0.870 30.897 31.823 -0.092 0.000 1.406 381 V HN 0.325 nan 8.190 nan 0.000 0.569 382 T N -0.947 113.348 114.554 -0.430 0.000 3.579 382 T HA 0.354 4.702 4.350 -0.004 0.000 0.328 382 T C 0.211 174.864 174.700 -0.078 0.000 1.481 382 T CA -0.260 61.749 62.100 -0.152 0.000 1.144 382 T CB -0.630 68.210 68.868 -0.046 0.000 1.205 382 T HN 0.581 nan 8.240 nan 0.000 0.812 383 H N 1.339 120.480 119.070 0.117 0.000 2.546 383 H HA 0.247 4.800 4.556 -0.004 0.000 0.365 383 H C 0.536 175.927 175.328 0.106 0.000 1.220 383 H CA -0.581 55.535 56.048 0.112 0.000 1.386 383 H CB 0.824 30.621 29.762 0.059 0.000 1.510 383 H HN 0.676 nan 8.280 nan 0.000 0.591 384 E N 1.928 122.251 120.200 0.205 0.000 2.585 384 E HA -0.019 4.329 4.350 -0.004 0.000 0.252 384 E C -0.412 176.272 176.600 0.139 0.000 0.981 384 E CA -0.265 56.146 56.400 0.018 0.000 0.943 384 E CB 0.160 29.657 29.700 -0.337 0.000 0.923 384 E HN 0.284 nan 8.360 nan 0.000 0.486 385 L N 3.585 124.896 121.223 0.147 0.000 2.453 385 L HA 0.180 4.517 4.340 -0.004 0.000 0.272 385 L C 0.341 177.353 176.870 0.237 0.000 1.182 385 L CA -0.218 54.767 54.840 0.242 0.000 0.858 385 L CB 0.844 43.101 42.059 0.330 0.000 1.120 385 L HN 0.579 nan 8.230 nan 0.000 0.474 386 A N 5.454 128.478 122.820 0.340 0.000 2.260 386 A HA 0.578 4.896 4.320 -0.004 0.000 0.312 386 A C -2.344 175.410 177.584 0.283 0.000 1.321 386 A CA -1.647 50.620 52.037 0.383 0.000 0.928 386 A CB 0.000 19.221 19.000 0.367 0.000 1.158 386 A HN 0.381 nan 8.150 nan 0.000 0.542 387 P HA 0.218 nan 4.420 nan 0.000 0.263 387 P C 1.175 178.643 177.300 0.280 0.000 1.195 387 P CA 1.996 65.192 63.100 0.160 0.000 0.762 387 P CB 0.790 32.394 31.700 -0.160 0.000 0.799 388 G N 2.625 111.543 108.800 0.196 0.000 2.217 388 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.246 388 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.246 388 G C 0.700 175.613 174.900 0.023 0.000 0.990 388 G CA 0.253 45.403 45.100 0.082 0.000 0.627 388 G HN 0.481 nan 8.290 nan 0.000 0.522 389 I N -0.444 120.161 120.570 0.058 0.000 3.523 389 I HA 0.172 4.340 4.170 -0.004 0.000 0.244 389 I C 1.965 178.084 176.117 0.004 0.000 1.110 389 I CA 0.614 61.920 61.300 0.011 0.000 1.517 389 I CB -0.334 37.673 38.000 0.012 0.000 1.505 389 I HN -0.099 nan 8.210 nan 0.000 0.460 390 D N 0.892 121.329 120.400 0.061 0.000 2.123 390 D HA -0.003 4.635 4.640 -0.004 0.000 0.200 390 D C 0.402 176.704 176.300 0.004 0.000 0.976 390 D CA 1.049 55.080 54.000 0.052 0.000 0.831 390 D CB 0.113 40.992 40.800 0.132 0.000 0.974 390 D HN 0.272 nan 8.370 nan 0.000 0.469 391 c N 0.060 118.665 118.600 0.007 0.000 2.889 391 c HA 0.463 5.031 4.570 -0.004 0.000 0.307 391 c C -2.417 171.502 174.090 -0.285 0.000 1.251 391 c CA -1.814 54.338 56.329 -0.295 0.000 1.593 391 c CB 1.908 44.241 42.510 -0.295 0.000 2.104 391 c HN 0.037 nan 8.230 nan 0.000 0.476 392 P HA 0.079 nan 4.420 nan 0.000 0.266 392 P C 0.252 177.531 177.300 -0.035 0.000 1.193 392 P CA 0.534 63.441 63.100 -0.321 0.000 0.770 392 P CB 0.514 31.950 31.700 -0.440 0.000 0.836 393 E N 0.391 120.626 120.200 0.059 0.000 2.171 393 E HA -0.184 4.164 4.350 -0.004 0.000 0.197 393 E C 1.453 178.156 176.600 0.173 0.000 0.997 393 E CA 2.101 58.596 56.400 0.158 0.000 0.810 393 E CB -0.910 28.849 29.700 0.099 0.000 0.738 393 E HN 0.590 nan 8.360 nan 0.000 0.467 394 T N -1.772 112.827 114.554 0.076 0.000 3.194 394 T HA 0.383 4.730 4.350 -0.004 0.000 0.251 394 T C 0.743 175.483 174.700 0.066 0.000 1.132 394 T CA 0.118 62.265 62.100 0.078 0.000 1.028 394 T CB -0.037 68.867 68.868 0.060 0.000 0.976 394 T HN 0.166 nan 8.240 nan 0.000 0.535 395 A N 1.445 124.236 122.820 -0.048 0.000 2.332 395 A HA 0.535 4.853 4.320 -0.004 0.000 0.258 395 A C 0.481 177.905 177.584 -0.266 0.000 1.087 395 A CA -0.492 51.398 52.037 -0.244 0.000 0.802 395 A CB 0.156 18.715 19.000 -0.735 0.000 1.042 395 A HN 0.342 nan 8.150 nan 0.000 0.489 396 T N 2.516 116.995 114.554 -0.124 0.000 2.727 396 T HA 0.465 4.813 4.350 -0.004 0.000 0.298 396 T C -0.712 173.909 174.700 -0.131 0.000 0.942 396 T CA 0.373 62.480 62.100 0.011 0.000 0.997 396 T CB -0.571 68.426 68.868 0.215 0.000 0.917 396 T HN 0.318 nan 8.240 nan 0.000 0.487 397 F N 3.080 123.089 119.950 0.098 0.000 2.394 397 F HA 0.551 5.071 4.527 -0.010 0.000 0.340 397 F C 0.327 176.169 175.800 0.071 0.000 1.105 397 F CA -1.106 56.934 58.000 0.068 0.000 1.124 397 F CB 0.760 39.779 39.000 0.033 0.000 1.145 397 F HN 0.232 nan 8.300 nan 0.000 0.505 398 L N 3.425 124.774 121.223 0.210 0.000 2.365 398 L HA 0.478 4.816 4.340 -0.004 0.000 0.273 398 L C -0.766 176.179 176.870 0.125 0.000 1.000 398 L CA -0.986 53.954 54.840 0.167 0.000 0.819 398 L CB 1.792 43.945 42.059 0.156 0.000 1.284 398 L HN 0.507 nan 8.230 nan 0.000 0.418 399 D N 0.381 120.843 120.400 0.105 0.000 2.478 399 D HA 0.644 5.282 4.640 -0.004 0.000 0.263 399 D C -0.114 176.181 176.300 -0.009 0.000 1.153 399 D CA -0.194 53.799 54.000 -0.012 0.000 1.038 399 D CB 2.125 42.926 40.800 0.002 0.000 1.120 399 D HN 0.414 nan 8.370 nan 0.000 0.564 400 T N -1.179 113.271 114.554 -0.173 0.000 2.693 400 T HA 0.535 4.883 4.350 -0.004 0.000 0.304 400 T C -1.890 172.618 174.700 -0.319 0.000 1.471 400 T CA -0.551 61.484 62.100 -0.110 0.000 0.993 400 T CB 0.265 69.050 68.868 -0.139 0.000 1.554 400 T HN 0.147 nan 8.240 nan 0.000 0.496 401 F N 1.986 121.853 119.950 -0.138 0.000 2.520 401 F HA 0.596 5.122 4.527 -0.003 0.000 0.322 401 F C 0.226 175.900 175.800 -0.209 0.000 1.103 401 F CA -0.708 57.258 58.000 -0.058 0.000 0.926 401 F CB 1.646 40.697 39.000 0.086 0.000 1.154 401 F HN 0.429 nan 8.300 nan 0.000 0.453 402 H N 2.389 121.610 119.070 0.253 0.000 2.529 402 H HA 0.184 4.738 4.556 -0.004 0.000 0.348 402 H C -1.500 173.995 175.328 0.278 0.000 1.079 402 H CA -0.756 55.364 56.048 0.121 0.000 1.198 402 H CB 1.868 31.494 29.762 -0.226 0.000 1.521 402 H HN 0.633 nan 8.280 nan 0.000 0.514 403 Y N 4.378 124.835 120.300 0.263 0.000 2.841 403 Y HA 0.228 4.775 4.550 -0.004 0.000 0.329 403 Y C -1.504 174.457 175.900 0.102 0.000 1.062 403 Y CA -0.745 57.460 58.100 0.175 0.000 1.281 403 Y CB 0.068 38.609 38.460 0.134 0.000 1.147 403 Y HN 0.531 nan 8.280 nan 0.000 0.521 404 Y N 5.076 125.170 120.300 -0.344 0.000 2.331 404 Y HA 0.309 4.857 4.550 -0.003 0.000 0.326 404 Y C -0.072 175.438 175.900 -0.649 0.000 1.020 404 Y CA -1.273 56.511 58.100 -0.526 0.000 1.136 404 Y CB 0.816 39.074 38.460 -0.336 0.000 1.157 404 Y HN 0.620 nan 8.280 nan 0.000 0.444 405 D N 3.789 123.422 120.400 -1.278 0.000 2.740 405 D HA -0.179 4.459 4.640 -0.004 0.000 0.231 405 D C -1.456 174.629 176.300 -0.358 0.000 1.194 405 D CA 1.596 55.140 54.000 -0.761 0.000 0.673 405 D CB -0.853 39.700 40.800 -0.412 0.000 0.995 405 D HN 0.814 nan 8.370 nan 0.000 0.411 406 A N 0.907 123.405 122.820 -0.537 0.000 2.515 406 A HA 0.539 4.857 4.320 -0.004 0.000 0.298 406 A C 0.670 178.103 177.584 -0.252 0.000 1.059 406 A CA -0.447 51.389 52.037 -0.334 0.000 0.698 406 A CB 1.443 20.257 19.000 -0.310 0.000 1.289 406 A HN 0.032 nan 8.150 nan 0.000 0.404 407 D N 0.455 120.853 120.400 -0.002 0.000 2.234 407 D HA 0.043 4.681 4.640 -0.004 0.000 0.205 407 D C -0.246 176.126 176.300 0.120 0.000 0.962 407 D CA 1.504 55.571 54.000 0.111 0.000 0.855 407 D CB 0.362 41.216 40.800 0.091 0.000 0.951 407 D HN 0.602 nan 8.370 nan 0.000 0.500 408 D N -1.023 119.465 120.400 0.147 0.000 2.570 408 D HA 0.288 4.926 4.640 -0.004 0.000 0.244 408 D C -2.654 173.842 176.300 0.326 0.000 1.178 408 D CA -1.509 52.575 54.000 0.140 0.000 0.881 408 D CB 2.176 43.014 40.800 0.063 0.000 1.453 408 D HN -0.241 nan 8.370 nan 0.000 0.447 409 P HA 0.091 nan 4.420 nan 0.000 0.268 409 P C -0.572 177.039 177.300 0.520 0.000 1.205 409 P CA -0.166 63.201 63.100 0.444 0.000 0.771 409 P CB 0.636 32.486 31.700 0.250 0.000 0.858 410 V N 3.681 123.940 119.914 0.574 0.000 2.448 410 V HA 0.189 4.307 4.120 -0.004 0.000 0.295 410 V C 0.245 176.487 176.094 0.247 0.000 1.025 410 V CA -0.635 61.922 62.300 0.429 0.000 0.859 410 V CB 1.104 33.178 31.823 0.418 0.000 0.988 410 V HN 0.629 nan 8.190 nan 0.000 0.431 411 H N 4.763 123.711 119.070 -0.203 0.000 2.690 411 H HA 0.273 4.826 4.556 -0.004 0.000 0.314 411 H C -1.710 173.363 175.328 -0.425 0.000 1.069 411 H CA -0.050 55.502 56.048 -0.827 0.000 1.436 411 H CB 0.629 30.032 29.762 -0.599 0.000 1.462 411 H HN 0.591 nan 8.280 nan 0.000 0.511 412 Y N 6.571 126.297 120.300 -0.956 0.000 2.464 412 Y HA 0.236 4.783 4.550 -0.004 0.000 0.326 412 Y C -2.109 173.388 175.900 -0.673 0.000 0.969 412 Y CA -2.507 55.251 58.100 -0.569 0.000 1.270 412 Y CB 1.473 39.702 38.460 -0.385 0.000 1.103 412 Y HN 0.615 nan 8.280 nan 0.000 0.491 413 P HA 0.230 nan 4.420 nan 0.000 0.285 413 P C -0.553 176.668 177.300 -0.132 0.000 1.259 413 P CA -0.421 62.501 63.100 -0.296 0.000 0.794 413 P CB 0.852 32.458 31.700 -0.157 0.000 0.940 414 R N 1.440 121.917 120.500 -0.038 0.000 3.422 414 R HA -0.230 4.108 4.340 -0.004 0.000 0.267 414 R C 0.985 177.344 176.300 0.098 0.000 1.074 414 R CA 0.506 56.658 56.100 0.088 0.000 0.718 414 R CB -2.445 27.877 30.300 0.036 0.000 1.157 414 R HN 0.600 nan 8.270 nan 0.000 0.440 415 A N 0.071 122.925 122.820 0.056 0.000 1.930 415 A HA 0.038 4.356 4.320 -0.004 0.000 0.217 415 A C 0.782 178.418 177.584 0.086 0.000 1.175 415 A CA 0.993 53.072 52.037 0.069 0.000 0.627 415 A CB 0.153 19.169 19.000 0.026 0.000 0.815 415 A HN 0.211 nan 8.150 nan 0.000 0.443 416 L N -1.888 119.383 121.223 0.080 0.000 2.333 416 L HA 0.602 4.940 4.340 -0.004 0.000 0.263 416 L C -0.103 176.794 176.870 0.045 0.000 1.014 416 L CA -0.747 54.118 54.840 0.042 0.000 0.820 416 L CB 1.449 43.483 42.059 -0.043 0.000 1.352 416 L HN 0.373 nan 8.230 nan 0.000 0.421 417 c N 0.677 119.265 118.600 -0.019 0.000 2.802 417 c HA 0.931 5.498 4.570 -0.004 0.000 0.307 417 c C -1.024 172.991 174.090 -0.126 0.000 1.222 417 c CA -0.931 55.325 56.329 -0.122 0.000 1.580 417 c CB 1.492 43.856 42.510 -0.244 0.000 2.119 417 c HN 0.797 nan 8.230 nan 0.000 0.479 418 L N 3.423 124.558 121.223 -0.145 0.000 2.409 418 L HA 0.965 5.302 4.340 -0.004 0.000 0.272 418 L C -0.791 175.994 176.870 -0.142 0.000 0.980 418 L CA -0.447 54.228 54.840 -0.275 0.000 0.826 418 L CB 1.456 43.301 42.059 -0.356 0.000 1.268 418 L HN 0.969 nan 8.230 nan 0.000 0.407 419 F N 1.544 121.255 119.950 -0.398 0.000 2.665 419 F HA 0.605 5.130 4.527 -0.002 0.000 0.308 419 F C -1.018 174.656 175.800 -0.212 0.000 1.112 419 F CA -0.922 56.961 58.000 -0.195 0.000 0.972 419 F CB 1.195 40.107 39.000 -0.147 0.000 1.295 419 F HN 0.575 nan 8.300 nan 0.000 0.440 420 E N 4.168 124.461 120.200 0.155 0.000 2.216 420 E HA 0.665 5.013 4.350 -0.004 0.000 0.279 420 E C -1.112 175.615 176.600 0.211 0.000 0.997 420 E CA -0.951 55.476 56.400 0.045 0.000 0.817 420 E CB 1.381 31.182 29.700 0.168 0.000 1.096 420 E HN 0.793 nan 8.360 nan 0.000 0.393 421 M N 2.213 121.890 119.600 0.128 0.000 2.501 421 M HA 0.595 5.073 4.480 -0.004 0.000 0.293 421 M C -2.735 173.624 176.300 0.099 0.000 1.192 421 M CA -2.523 52.880 55.300 0.172 0.000 0.886 421 M CB 2.214 34.975 32.600 0.269 0.000 1.710 421 M HN 0.095 nan 8.290 nan 0.000 0.457 422 P HA 0.139 nan 4.420 nan 0.000 0.268 422 P C 0.586 177.927 177.300 0.068 0.000 1.204 422 P CA -0.064 63.087 63.100 0.086 0.000 0.768 422 P CB 0.717 32.465 31.700 0.081 0.000 0.842 423 T N -0.917 113.677 114.554 0.068 0.000 3.088 423 T HA 0.145 4.493 4.350 -0.004 0.000 0.259 423 T C 1.505 176.242 174.700 0.062 0.000 1.122 423 T CA 0.649 62.786 62.100 0.063 0.000 1.095 423 T CB -0.941 67.982 68.868 0.090 0.000 0.930 423 T HN 0.614 nan 8.240 nan 0.000 0.508 424 G N 0.501 109.338 108.800 0.062 0.000 2.175 424 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.265 424 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.265 424 G C 0.142 175.077 174.900 0.057 0.000 0.979 424 G CA 0.322 45.453 45.100 0.051 0.000 0.663 424 G HN 1.136 nan 8.290 nan 0.000 0.533 425 V N 1.761 121.721 119.914 0.076 0.000 2.577 425 V HA 0.731 4.848 4.120 -0.004 0.000 0.303 425 V C -2.157 173.999 176.094 0.103 0.000 1.042 425 V CA -1.973 60.376 62.300 0.081 0.000 0.872 425 V CB 2.351 34.221 31.823 0.077 0.000 0.998 425 V HN 0.103 nan 8.190 nan 0.000 0.423 426 P HA 0.088 nan 4.420 nan 0.000 0.267 426 P C 0.972 178.341 177.300 0.115 0.000 1.205 426 P CA 0.076 63.246 63.100 0.116 0.000 0.765 426 P CB 1.250 33.026 31.700 0.126 0.000 0.828 427 L N 3.024 124.323 121.223 0.127 0.000 2.043 427 L HA -0.158 4.179 4.340 -0.004 0.000 0.212 427 L C 1.187 178.109 176.870 0.087 0.000 1.075 427 L CA 1.690 56.607 54.840 0.128 0.000 0.752 427 L CB -0.048 42.096 42.059 0.142 0.000 0.891 427 L HN 0.553 nan 8.230 nan 0.000 0.432 428 R N -0.969 119.575 120.500 0.075 0.000 2.734 428 R HA 0.652 4.990 4.340 -0.004 0.000 0.271 428 R C -1.251 175.079 176.300 0.050 0.000 1.021 428 R CA -1.030 55.103 56.100 0.056 0.000 0.893 428 R CB 1.355 31.676 30.300 0.035 0.000 1.244 428 R HN 0.139 nan 8.270 nan 0.000 0.464 429 R N 0.377 120.906 120.500 0.048 0.000 2.664 429 R HA 0.489 4.827 4.340 -0.004 0.000 0.266 429 R C -2.084 174.252 176.300 0.059 0.000 1.046 429 R CA -1.029 55.074 56.100 0.005 0.000 0.885 429 R CB 1.464 31.821 30.300 0.095 0.000 1.254 429 R HN 0.888 nan 8.270 nan 0.000 0.465 430 H N 1.735 120.704 119.070 -0.168 0.000 3.026 430 H HA 0.416 4.970 4.556 -0.004 0.000 0.352 430 H C -2.163 173.091 175.328 -0.123 0.000 1.090 430 H CA -0.860 55.129 56.048 -0.098 0.000 1.268 430 H CB 1.424 31.126 29.762 -0.100 0.000 1.816 430 H HN 0.581 nan 8.280 nan 0.000 0.518 431 F N 5.721 125.227 119.950 -0.740 0.000 2.303 431 F HA 0.307 4.831 4.527 -0.005 0.000 0.368 431 F C -0.158 175.070 175.800 -0.953 0.000 1.105 431 F CA -0.549 57.115 58.000 -0.560 0.000 1.153 431 F CB 0.326 39.167 39.000 -0.265 0.000 1.362 431 F HN 0.565 nan 8.300 nan 0.000 0.511 432 N N 4.908 122.927 118.700 -1.136 0.000 2.466 432 N HA -0.032 4.706 4.740 -0.004 0.000 0.263 432 N C -0.148 174.913 175.510 -0.747 0.000 1.178 432 N CA 0.137 52.728 53.050 -0.764 0.000 0.983 432 N CB 0.568 38.398 38.487 -1.095 0.000 1.331 432 N HN 0.592 nan 8.380 nan 0.000 0.500 433 S N 1.952 117.276 115.700 -0.627 0.000 2.608 433 S HA 0.075 4.543 4.470 -0.004 0.000 0.261 433 S C 1.185 175.344 174.600 -0.735 0.000 1.314 433 S CA -0.479 57.328 58.200 -0.656 0.000 0.992 433 S CB 0.470 63.253 63.200 -0.696 0.000 0.935 433 S HN 0.767 nan 8.310 nan 0.000 0.564 434 N N 0.982 119.402 118.700 -0.466 0.000 2.204 434 N HA 0.104 4.842 4.740 -0.004 0.000 0.219 434 N C -0.031 175.484 175.510 0.007 0.000 1.151 434 N CA -0.179 52.765 53.050 -0.177 0.000 0.867 434 N CB -0.898 37.573 38.487 -0.025 0.000 1.043 434 N HN 0.609 nan 8.380 nan 0.000 0.516 435 F N -1.253 118.755 119.950 0.096 0.000 3.093 435 F HA -0.275 4.251 4.527 -0.003 0.000 0.283 435 F C 1.194 177.033 175.800 0.065 0.000 0.848 435 F CA 1.152 59.200 58.000 0.080 0.000 1.059 435 F CB -2.104 36.932 39.000 0.060 0.000 1.191 435 F HN 0.487 nan 8.300 nan 0.000 0.514 436 K N -0.539 119.957 120.400 0.161 0.000 2.734 436 K HA 0.644 4.962 4.320 -0.004 0.000 0.200 436 K C 1.128 177.782 176.600 0.091 0.000 1.120 436 K CA 0.511 56.870 56.287 0.120 0.000 1.067 436 K CB 0.475 33.040 32.500 0.108 0.000 0.771 436 K HN 1.201 nan 8.250 nan 0.000 0.481 437 G N -1.616 107.238 108.800 0.090 0.000 2.253 437 G HA2 0.042 4.000 3.960 -0.004 0.000 0.209 437 G HA3 0.042 4.000 3.960 -0.004 0.000 0.209 437 G C 0.740 175.705 174.900 0.109 0.000 0.997 437 G CA 0.324 45.474 45.100 0.082 0.000 0.640 437 G HN 1.494 nan 8.290 nan 0.000 0.496 438 G N -0.565 108.312 108.800 0.129 0.000 3.247 438 G HA2 0.946 4.904 3.960 -0.004 0.000 0.226 438 G HA3 0.946 4.904 3.960 -0.004 0.000 0.226 438 G C -0.769 174.282 174.900 0.252 0.000 1.220 438 G CA -0.379 44.850 45.100 0.216 0.000 0.875 438 G HN 1.445 nan 8.290 nan 0.000 0.606 439 F N -1.551 118.325 119.950 -0.124 0.000 2.665 439 F HA 0.536 5.061 4.527 -0.003 0.000 0.308 439 F C 0.041 175.720 175.800 -0.202 0.000 1.112 439 F CA -1.271 56.524 58.000 -0.342 0.000 0.972 439 F CB 1.325 39.923 39.000 -0.671 0.000 1.295 439 F HN 0.236 nan 8.300 nan 0.000 0.440 440 N N 1.735 120.191 118.700 -0.408 0.000 2.333 440 N HA 0.145 4.883 4.740 -0.004 0.000 0.178 440 N C -0.615 174.814 175.510 -0.135 0.000 1.018 440 N CA 1.351 54.281 53.050 -0.200 0.000 0.882 440 N CB 0.099 38.620 38.487 0.056 0.000 0.984 440 N HN 0.677 nan 8.380 nan 0.000 0.434 441 F N -2.519 117.133 119.950 -0.497 0.000 2.793 441 F HA 0.378 4.902 4.527 -0.005 0.000 0.316 441 F C -1.743 174.003 175.800 -0.091 0.000 1.147 441 F CA -1.850 55.857 58.000 -0.489 0.000 0.930 441 F CB 0.556 39.054 39.000 -0.838 0.000 1.277 441 F HN -0.173 nan 8.300 nan 0.000 0.443 442 Y N 1.946 122.289 120.300 0.071 0.000 2.377 442 Y HA 0.883 5.430 4.550 -0.005 0.000 0.339 442 Y C -1.080 174.875 175.900 0.092 0.000 1.011 442 Y CA -0.804 57.279 58.100 -0.029 0.000 1.093 442 Y CB 1.650 40.120 38.460 0.016 0.000 1.201 442 Y HN 1.110 nan 8.280 nan 0.000 0.455 443 A N 3.522 125.910 122.820 -0.721 0.000 2.401 443 A HA 0.955 5.273 4.320 -0.004 0.000 0.310 443 A C -0.663 176.435 177.584 -0.811 0.000 1.075 443 A CA -0.274 51.475 52.037 -0.480 0.000 0.746 443 A CB 1.397 20.386 19.000 -0.019 0.000 1.277 443 A HN 1.418 nan 8.150 nan 0.000 0.425 444 G N -0.451 108.151 108.800 -0.330 0.000 2.655 444 G HA2 0.580 4.538 3.960 -0.004 0.000 0.296 444 G HA3 0.580 4.538 3.960 -0.004 0.000 0.296 444 G C -2.179 172.754 174.900 0.055 0.000 1.485 444 G CA -0.491 44.546 45.100 -0.106 0.000 0.869 444 G HN 1.432 nan 8.290 nan 0.000 0.540 445 L N 1.586 122.851 121.223 0.070 0.000 2.324 445 L HA 0.579 4.917 4.340 -0.004 0.000 0.274 445 L C 0.652 177.591 176.870 0.116 0.000 1.012 445 L CA -1.085 53.810 54.840 0.091 0.000 0.859 445 L CB 1.003 43.102 42.059 0.066 0.000 1.224 445 L HN 0.610 nan 8.230 nan 0.000 0.429 446 K N 3.225 123.703 120.400 0.130 0.000 2.561 446 K HA 0.174 4.492 4.320 -0.004 0.000 0.280 446 K C 0.144 176.824 176.600 0.133 0.000 0.975 446 K CA 0.628 56.993 56.287 0.129 0.000 1.024 446 K CB 0.326 32.900 32.500 0.124 0.000 0.883 446 K HN 0.902 nan 8.250 nan 0.000 0.496 447 G N 3.608 112.486 108.800 0.132 0.000 2.339 447 G HA2 0.223 4.181 3.960 -0.004 0.000 0.287 447 G HA3 0.223 4.181 3.960 -0.004 0.000 0.287 447 G C -0.902 174.081 174.900 0.138 0.000 1.163 447 G CA -0.455 44.733 45.100 0.147 0.000 0.872 447 G HN 0.555 nan 8.290 nan 0.000 0.464 448 Q N -0.002 119.892 119.800 0.157 0.000 2.495 448 Q HA 0.709 5.047 4.340 -0.004 0.000 0.287 448 Q C -1.289 174.763 176.000 0.086 0.000 1.078 448 Q CA -0.853 55.035 55.803 0.143 0.000 0.793 448 Q CB 2.903 31.776 28.738 0.225 0.000 1.459 448 Q HN 0.459 nan 8.270 nan 0.000 0.422 449 V N 1.243 121.139 119.914 -0.031 0.000 3.048 449 V HA 0.429 4.546 4.120 -0.004 0.000 0.303 449 V C -1.791 174.076 176.094 -0.378 0.000 1.214 449 V CA -0.738 61.413 62.300 -0.248 0.000 0.984 449 V CB 2.587 34.084 31.823 -0.543 0.000 1.054 449 V HN 0.659 nan 8.190 nan 0.000 0.430 450 L N 6.250 127.137 121.223 -0.560 0.000 2.275 450 L HA 0.742 5.080 4.340 -0.004 0.000 0.288 450 L C -0.767 175.754 176.870 -0.581 0.000 1.046 450 L CA 0.197 54.587 54.840 -0.749 0.000 0.805 450 L CB 1.564 42.996 42.059 -1.045 0.000 1.193 450 L HN 0.468 nan 8.230 nan 0.000 0.426 451 V N 6.318 125.725 119.914 -0.845 0.000 2.357 451 V HA 0.358 4.476 4.120 -0.004 0.000 0.284 451 V C -0.345 175.372 176.094 -0.627 0.000 1.018 451 V CA -0.656 61.168 62.300 -0.793 0.000 0.841 451 V CB 1.415 32.526 31.823 -1.186 0.000 0.991 451 V HN 0.637 nan 8.190 nan 0.000 0.437 452 L N 6.407 127.461 121.223 -0.282 0.000 2.261 452 L HA 0.607 4.944 4.340 -0.004 0.000 0.289 452 L C -0.035 176.760 176.870 -0.125 0.000 1.059 452 L CA 0.276 55.004 54.840 -0.187 0.000 0.816 452 L CB 0.556 42.599 42.059 -0.026 0.000 1.191 452 L HN 0.763 nan 8.230 nan 0.000 0.431 453 R N 3.273 123.713 120.500 -0.100 0.000 2.686 453 R HA 0.726 5.064 4.340 -0.004 0.000 0.286 453 R C -1.036 175.288 176.300 0.041 0.000 0.969 453 R CA -0.388 55.713 56.100 0.001 0.000 0.898 453 R CB 1.895 32.245 30.300 0.084 0.000 1.183 453 R HN 0.692 nan 8.270 nan 0.000 0.456 454 T N 0.610 115.228 114.554 0.107 0.000 2.804 454 T HA 0.582 4.929 4.350 -0.004 0.000 0.290 454 T C -1.122 173.716 174.700 0.231 0.000 1.099 454 T CA -0.375 61.814 62.100 0.148 0.000 1.011 454 T CB 1.602 70.546 68.868 0.126 0.000 1.291 454 T HN 0.769 nan 8.240 nan 0.000 0.523 455 T N -0.471 114.221 114.554 0.230 0.000 2.916 455 T HA 0.776 5.124 4.350 -0.004 0.000 0.292 455 T C -0.798 174.083 174.700 0.301 0.000 1.064 455 T CA -0.749 61.502 62.100 0.253 0.000 1.011 455 T CB 1.409 70.362 68.868 0.142 0.000 1.152 455 T HN 0.836 nan 8.240 nan 0.000 0.510 456 S N 0.069 115.967 115.700 0.330 0.000 2.605 456 S HA 0.636 5.104 4.470 -0.004 0.000 0.308 456 S C -0.869 173.786 174.600 0.092 0.000 1.113 456 S CA -0.741 57.603 58.200 0.241 0.000 1.049 456 S CB 1.358 64.822 63.200 0.439 0.000 1.001 456 S HN 0.804 nan 8.310 nan 0.000 0.480 457 T N 3.505 118.100 114.554 0.069 0.000 2.991 457 T HA 0.308 4.655 4.350 -0.004 0.000 0.347 457 T C 1.001 175.729 174.700 0.046 0.000 1.122 457 T CA -0.545 61.563 62.100 0.014 0.000 1.062 457 T CB 1.035 69.947 68.868 0.074 0.000 1.043 457 T HN 0.491 nan 8.240 nan 0.000 0.491 458 V N 1.954 121.847 119.914 -0.035 0.000 2.407 458 V HA 0.034 4.152 4.120 -0.004 0.000 0.245 458 V C 0.992 177.148 176.094 0.103 0.000 1.041 458 V CA 1.423 63.731 62.300 0.013 0.000 1.040 458 V CB -0.346 31.393 31.823 -0.140 0.000 0.671 458 V HN 0.862 nan 8.190 nan 0.000 0.455 459 Y N -0.230 119.953 120.300 -0.195 0.000 2.348 459 Y HA 0.227 4.775 4.550 -0.003 0.000 0.084 459 Y C 0.609 176.299 175.900 -0.351 0.000 0.978 459 Y CA -0.213 57.792 58.100 -0.159 0.000 1.784 459 Y CB -0.107 38.205 38.460 -0.247 0.000 1.097 459 Y HN 0.235 nan 8.280 nan 0.000 0.188 463 Y N 1.378 121.603 120.300 -0.125 0.000 2.335 463 Y HA 0.516 5.063 4.550 -0.004 0.000 0.339 463 Y C 0.462 176.108 175.900 -0.423 0.000 0.987 463 Y CA -0.953 56.932 58.100 -0.358 0.000 1.140 463 Y CB 0.767 38.923 38.460 -0.506 0.000 1.173 463 Y HN 0.312 nan 8.280 nan 0.000 0.486 464 I N 3.811 124.242 120.570 -0.232 0.000 2.301 464 I HA 0.142 4.310 4.170 -0.004 0.000 0.292 464 I C -0.843 175.101 176.117 -0.288 0.000 1.046 464 I CA -0.326 60.886 61.300 -0.148 0.000 1.282 464 I CB 0.335 38.316 38.000 -0.032 0.000 1.409 464 I HN 0.508 nan 8.210 nan 0.000 0.484 465 W N 5.649 126.955 121.300 0.010 0.000 2.361 465 W HA 0.390 5.048 4.660 -0.004 0.000 0.309 465 W C -0.342 176.041 176.519 -0.227 0.000 1.122 465 W CA -0.419 56.845 57.345 -0.135 0.000 1.208 465 W CB 0.831 30.189 29.460 -0.170 0.000 1.246 465 W HN 0.315 nan 8.180 nan 0.000 0.490 466 D N 2.519 122.823 120.400 -0.161 0.000 2.498 466 D HA 0.434 5.072 4.640 -0.004 0.000 0.247 466 D C -1.250 174.701 176.300 -0.582 0.000 1.070 466 D CA -0.603 53.237 54.000 -0.266 0.000 0.842 466 D CB 1.410 42.127 40.800 -0.138 0.000 1.361 466 D HN 0.093 nan 8.370 nan 0.000 0.484 467 F N 1.566 121.353 119.950 -0.271 0.000 2.493 467 F HA 0.537 5.061 4.527 -0.005 0.000 0.329 467 F C 0.031 175.403 175.800 -0.714 0.000 1.126 467 F CA -0.868 56.814 58.000 -0.529 0.000 0.937 467 F CB 1.494 40.216 39.000 -0.464 0.000 1.146 467 F HN 0.019 nan 8.300 nan 0.000 0.442 468 I N 3.864 123.975 120.570 -0.765 0.000 2.498 468 I HA 0.391 4.559 4.170 -0.004 0.000 0.290 468 I C -1.298 174.246 176.117 -0.955 0.000 1.032 468 I CA -0.605 60.284 61.300 -0.685 0.000 1.073 468 I CB 1.895 39.639 38.000 -0.427 0.000 1.251 468 I HN 0.356 nan 8.210 nan 0.000 0.426 469 F N 5.444 125.075 119.950 -0.531 0.000 2.445 469 F HA 0.479 5.003 4.527 -0.005 0.000 0.348 469 F C -0.478 175.261 175.800 -0.100 0.000 1.125 469 F CA -0.692 56.965 58.000 -0.572 0.000 0.983 469 F CB 0.836 39.149 39.000 -1.145 0.000 1.198 469 F HN 0.213 nan 8.300 nan 0.000 0.436 470 Y N 3.294 123.792 120.300 0.330 0.000 2.307 470 Y HA 0.310 4.859 4.550 -0.001 0.000 0.324 470 Y C -1.484 174.840 175.900 0.707 0.000 1.238 470 Y CA -2.243 56.111 58.100 0.424 0.000 1.280 470 Y CB 0.458 39.071 38.460 0.254 0.000 1.248 470 Y HN 0.359 nan 8.280 nan 0.000 0.508 471 P HA -0.130 nan 4.420 nan 0.000 0.222 471 P C 0.314 177.848 177.300 0.391 0.000 1.147 471 P CA 1.391 64.788 63.100 0.496 0.000 0.790 471 P CB 0.158 32.019 31.700 0.269 0.000 0.780 472 N N -0.937 117.920 118.700 0.261 0.000 2.322 472 N HA 0.116 4.854 4.740 -0.004 0.000 0.216 472 N C 1.127 176.452 175.510 -0.309 0.000 1.144 472 N CA 0.331 53.367 53.050 -0.023 0.000 0.830 472 N CB -1.006 37.483 38.487 0.003 0.000 1.034 472 N HN 0.130 nan 8.380 nan 0.000 0.484 473 G N -1.026 107.500 108.800 -0.456 0.000 2.179 473 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.260 473 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.260 473 G C -0.232 174.798 174.900 0.216 0.000 0.977 473 G CA 0.291 44.924 45.100 -0.778 0.000 0.641 473 G HN 0.331 nan 8.290 nan 0.000 0.533 474 V N 2.088 122.195 119.914 0.323 0.000 2.508 474 V HA 0.577 4.694 4.120 -0.004 0.000 0.281 474 V C 0.696 177.071 176.094 0.469 0.000 1.041 474 V CA 0.548 63.024 62.300 0.295 0.000 1.016 474 V CB 1.581 33.364 31.823 -0.067 0.000 0.984 474 V HN 0.499 nan 8.190 nan 0.000 0.478 475 M N 4.882 124.645 119.600 0.271 0.000 2.456 475 M HA 0.611 5.089 4.480 -0.004 0.000 0.324 475 M C -0.647 175.541 176.300 -0.187 0.000 1.124 475 M CA -0.447 54.788 55.300 -0.107 0.000 0.959 475 M CB 1.958 34.396 32.600 -0.270 0.000 1.692 475 M HN 0.813 nan 8.290 nan 0.000 0.444 476 E N 2.687 122.688 120.200 -0.331 0.000 2.312 476 E HA 0.778 5.126 4.350 -0.004 0.000 0.267 476 E C -2.025 174.260 176.600 -0.525 0.000 0.894 476 E CA -0.818 55.369 56.400 -0.355 0.000 0.773 476 E CB 2.318 31.939 29.700 -0.131 0.000 1.241 476 E HN 0.796 nan 8.360 nan 0.000 0.432 477 A N 3.853 126.199 122.820 -0.790 0.000 2.343 477 A HA 0.632 4.949 4.320 -0.004 0.000 0.316 477 A C -1.037 176.144 177.584 -0.672 0.000 1.104 477 A CA -0.662 50.851 52.037 -0.873 0.000 0.768 477 A CB 1.153 19.195 19.000 -1.596 0.000 1.213 477 A HN 0.503 nan 8.150 nan 0.000 0.456 478 K N 1.948 122.061 120.400 -0.479 0.000 2.464 478 K HA 0.523 4.841 4.320 -0.004 0.000 0.253 478 K C -1.560 174.830 176.600 -0.349 0.000 0.933 478 K CA -0.701 55.352 56.287 -0.391 0.000 0.801 478 K CB 2.263 34.514 32.500 -0.415 0.000 1.271 478 K HN 0.719 nan 8.250 nan 0.000 0.430 479 M N 3.744 123.106 119.600 -0.396 0.000 2.321 479 M HA 0.324 4.801 4.480 -0.004 0.000 0.315 479 M C -1.508 174.426 176.300 -0.610 0.000 1.052 479 M CA -0.349 54.615 55.300 -0.560 0.000 0.936 479 M CB 1.159 33.387 32.600 -0.620 0.000 1.639 479 M HN 0.682 nan 8.290 nan 0.000 0.433 480 H N 2.892 121.759 119.070 -0.338 0.000 2.466 480 H HA 0.657 5.212 4.556 -0.002 0.000 0.338 480 H C -0.697 174.531 175.328 -0.167 0.000 1.091 480 H CA -0.751 55.164 56.048 -0.223 0.000 1.207 480 H CB 1.577 31.235 29.762 -0.173 0.000 1.466 480 H HN 0.781 nan 8.280 nan 0.000 0.493 481 A N 2.604 125.438 122.820 0.024 0.000 2.305 481 A HA 0.547 4.865 4.320 -0.004 0.000 0.322 481 A C 0.330 177.935 177.584 0.035 0.000 1.187 481 A CA -0.378 51.734 52.037 0.125 0.000 0.825 481 A CB 1.425 20.506 19.000 0.135 0.000 1.164 481 A HN 0.713 nan 8.150 nan 0.000 0.498 482 T N 0.425 114.975 114.554 -0.006 0.000 2.618 482 T HA 0.765 5.113 4.350 -0.004 0.000 0.293 482 T C 0.320 174.962 174.700 -0.098 0.000 1.093 482 T CA 1.097 63.169 62.100 -0.047 0.000 1.061 482 T CB 0.730 69.564 68.868 -0.056 0.000 1.498 482 T HN 2.714 nan 8.240 nan 0.000 0.494 483 G N 0.105 108.829 108.800 -0.127 0.000 2.545 483 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.216 483 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.216 483 G C -1.392 173.355 174.900 -0.254 0.000 1.314 483 G CA -0.155 44.832 45.100 -0.188 0.000 0.906 483 G HN 0.854 nan 8.290 nan 0.000 0.563 484 Y N 0.373 120.555 120.300 -0.196 0.000 2.308 484 Y HA 0.462 5.010 4.550 -0.003 0.000 0.329 484 Y C 1.400 177.218 175.900 -0.136 0.000 1.111 484 Y CA 0.035 58.022 58.100 -0.189 0.000 1.179 484 Y CB 1.451 39.684 38.460 -0.378 0.000 1.201 484 Y HN 0.775 nan 8.280 nan 0.000 0.483 485 V N 0.281 120.279 119.914 0.140 0.000 3.185 485 V HA 0.145 4.263 4.120 -0.004 0.000 0.305 485 V C -0.250 175.930 176.094 0.143 0.000 1.090 485 V CA -0.717 61.677 62.300 0.157 0.000 1.107 485 V CB 0.713 32.623 31.823 0.146 0.000 1.061 485 V HN 0.832 nan 8.190 nan 0.000 0.480 486 H N 2.271 121.356 119.070 0.024 0.000 2.652 486 H HA 0.741 5.295 4.556 -0.004 0.000 0.298 486 H C -0.068 175.235 175.328 -0.042 0.000 1.076 486 H CA 0.568 56.589 56.048 -0.045 0.000 1.360 486 H CB 0.509 30.140 29.762 -0.219 0.000 1.421 486 H HN 1.260 nan 8.280 nan 0.000 0.464 487 A N 3.918 126.552 122.820 -0.311 0.000 2.527 487 A HA 0.739 5.057 4.320 -0.004 0.000 0.293 487 A C -0.637 176.842 177.584 -0.176 0.000 1.117 487 A CA -0.221 51.708 52.037 -0.180 0.000 0.723 487 A CB 1.285 20.290 19.000 0.008 0.000 1.313 487 A HN 0.829 nan 8.150 nan 0.000 0.411 488 T N -2.014 112.500 114.554 -0.067 0.000 2.865 488 T HA 0.628 4.975 4.350 -0.004 0.000 0.294 488 T C -0.489 174.300 174.700 0.149 0.000 1.119 488 T CA -0.535 61.570 62.100 0.009 0.000 1.007 488 T CB 0.831 69.649 68.868 -0.083 0.000 1.225 488 T HN 0.839 nan 8.240 nan 0.000 0.515 489 F N 2.218 122.219 119.950 0.086 0.000 2.572 489 F HA 0.341 4.865 4.527 -0.004 0.000 0.370 489 F C 0.159 176.064 175.800 0.176 0.000 1.103 489 F CA -0.773 57.324 58.000 0.162 0.000 1.286 489 F CB 0.259 39.372 39.000 0.188 0.000 1.105 489 F HN 0.689 nan 8.300 nan 0.000 0.583 490 Y N 6.290 126.293 120.300 -0.494 0.000 2.436 490 Y HA 0.343 4.891 4.550 -0.004 0.000 0.336 490 Y C 0.126 175.921 175.900 -0.174 0.000 1.049 490 Y CA -0.001 57.926 58.100 -0.288 0.000 1.294 490 Y CB 0.185 38.465 38.460 -0.301 0.000 1.179 490 Y HN 0.704 nan 8.280 nan 0.000 0.520 491 T N 3.610 117.797 114.554 -0.612 0.000 2.916 491 T HA 0.448 4.796 4.350 -0.004 0.000 0.292 491 T C -2.345 171.796 174.700 -0.932 0.000 1.055 491 T CA -2.323 59.433 62.100 -0.574 0.000 1.009 491 T CB 2.078 70.911 68.868 -0.057 0.000 1.118 491 T HN 0.334 nan 8.240 nan 0.000 0.497 492 P HA 0.103 nan 4.420 nan 0.000 0.220 492 P C 1.684 178.881 177.300 -0.171 0.000 1.148 492 P CA 1.572 64.478 63.100 -0.323 0.000 0.803 492 P CB -0.163 31.491 31.700 -0.076 0.000 0.782 493 E N 0.051 120.184 120.200 -0.111 0.000 2.265 493 E HA -0.084 4.263 4.350 -0.004 0.000 0.196 493 E C 2.108 178.692 176.600 -0.027 0.000 0.996 493 E CA 1.373 57.751 56.400 -0.036 0.000 0.832 493 E CB -1.939 27.779 29.700 0.031 0.000 0.756 493 E HN 0.350 nan 8.360 nan 0.000 0.491 494 G N -0.231 108.529 108.800 -0.066 0.000 2.848 494 G HA2 0.139 4.097 3.960 -0.004 0.000 0.208 494 G HA3 0.139 4.097 3.960 -0.004 0.000 0.208 494 G C 1.495 176.391 174.900 -0.007 0.000 1.152 494 G CA 0.424 45.526 45.100 0.003 0.000 0.789 494 G HN 0.467 nan 8.290 nan 0.000 0.531 495 L N 0.299 121.492 121.223 -0.049 0.000 2.478 495 L HA 0.089 4.426 4.340 -0.004 0.000 0.223 495 L C 2.590 179.406 176.870 -0.090 0.000 1.140 495 L CA 0.307 55.134 54.840 -0.023 0.000 0.842 495 L CB -0.031 42.034 42.059 0.010 0.000 0.953 495 L HN 0.314 nan 8.230 nan 0.000 0.452 496 R N -1.384 118.987 120.500 -0.215 0.000 2.356 496 R HA 0.071 4.409 4.340 -0.004 0.000 0.234 496 R C 0.131 176.001 176.300 -0.717 0.000 0.929 496 R CA 0.200 56.061 56.100 -0.399 0.000 1.084 496 R CB -0.120 29.933 30.300 -0.411 0.000 1.105 496 R HN 0.392 nan 8.270 nan 0.000 0.515 497 H N -0.131 118.941 119.070 0.004 0.000 2.750 497 H HA 0.379 4.933 4.556 -0.004 0.000 0.239 497 H C 0.431 175.781 175.328 0.037 0.000 1.210 497 H CA 0.304 56.361 56.048 0.015 0.000 0.936 497 H CB 1.289 31.053 29.762 0.004 0.000 2.074 497 H HN 0.463 nan 8.280 nan 0.000 0.622 498 G N 0.186 109.040 108.800 0.090 0.000 2.332 498 G HA2 0.042 4.000 3.960 -0.004 0.000 0.265 498 G HA3 0.042 4.000 3.960 -0.004 0.000 0.265 498 G C -1.373 173.572 174.900 0.074 0.000 1.329 498 G CA -0.671 44.486 45.100 0.094 0.000 0.949 498 G HN 0.082 nan 8.290 nan 0.000 0.476 499 T N 0.302 114.906 114.554 0.083 0.000 2.886 499 T HA 0.592 4.939 4.350 -0.004 0.000 0.292 499 T C -0.028 174.720 174.700 0.081 0.000 1.012 499 T CA -0.649 61.498 62.100 0.078 0.000 0.982 499 T CB 2.074 70.990 68.868 0.079 0.000 1.018 499 T HN 0.674 nan 8.240 nan 0.000 0.451 500 R N 2.949 123.495 120.500 0.078 0.000 2.343 500 R HA 0.235 4.573 4.340 -0.004 0.000 0.326 500 R C 0.512 176.789 176.300 -0.039 0.000 1.055 500 R CA -0.058 56.059 56.100 0.028 0.000 0.961 500 R CB -0.045 30.216 30.300 -0.066 0.000 0.978 500 R HN 0.646 nan 8.270 nan 0.000 0.443 501 L N 3.016 124.220 121.223 -0.033 0.000 2.513 501 L HA 0.207 4.545 4.340 -0.004 0.000 0.222 501 L C 0.916 177.732 176.870 -0.090 0.000 1.096 501 L CA 0.172 54.992 54.840 -0.034 0.000 0.857 501 L CB -0.026 42.043 42.059 0.017 0.000 1.026 501 L HN 0.657 nan 8.230 nan 0.000 0.469 502 H N -1.969 116.913 119.070 -0.313 0.000 2.917 502 H HA 0.062 4.616 4.556 -0.004 0.000 0.299 502 H C 0.319 175.357 175.328 -0.482 0.000 1.418 502 H CA -0.007 55.745 56.048 -0.493 0.000 1.138 502 H CB 1.555 30.799 29.762 -0.863 0.000 1.830 502 H HN -0.252 nan 8.280 nan 0.000 0.514 503 T N 0.302 114.462 114.554 -0.655 0.000 2.624 503 T HA -0.217 4.131 4.350 -0.004 0.000 0.266 503 T C 0.947 175.250 174.700 -0.662 0.000 1.050 503 T CA 1.837 63.528 62.100 -0.683 0.000 1.163 503 T CB -0.340 68.068 68.868 -0.767 0.000 0.861 503 T HN 0.480 nan 8.240 nan 0.000 0.443 504 H N -0.443 118.512 119.070 -0.192 0.000 2.486 504 H HA 0.507 5.061 4.556 -0.004 0.000 0.284 504 H C -0.495 174.700 175.328 -0.220 0.000 1.103 504 H CA -0.453 55.417 56.048 -0.297 0.000 1.089 504 H CB 0.063 29.719 29.762 -0.176 0.000 1.603 504 H HN 0.168 nan 8.280 nan 0.000 0.557 505 L N 1.821 123.023 121.223 -0.035 0.000 2.372 505 L HA 0.386 4.724 4.340 -0.004 0.000 0.274 505 L C -1.073 175.834 176.870 0.062 0.000 0.988 505 L CA -0.583 54.278 54.840 0.035 0.000 0.833 505 L CB 1.336 43.416 42.059 0.034 0.000 1.236 505 L HN -0.054 nan 8.230 nan 0.000 0.410 506 I N 4.385 125.011 120.570 0.093 0.000 2.321 506 I HA 0.356 4.524 4.170 -0.004 0.000 0.291 506 I C 0.802 176.954 176.117 0.058 0.000 0.998 506 I CA -0.232 61.125 61.300 0.096 0.000 1.227 506 I CB 1.380 39.435 38.000 0.092 0.000 1.368 506 I HN 0.786 nan 8.210 nan 0.000 0.466 507 G N 6.150 114.987 108.800 0.062 0.000 2.444 507 G HA2 0.176 4.133 3.960 -0.004 0.000 0.303 507 G HA3 0.176 4.133 3.960 -0.004 0.000 0.303 507 G C 0.111 175.066 174.900 0.091 0.000 1.032 507 G CA -0.448 44.687 45.100 0.059 0.000 1.137 507 G HN 0.635 nan 8.290 nan 0.000 0.430 508 N N 1.139 119.902 118.700 0.105 0.000 2.458 508 N HA 0.054 4.791 4.740 -0.004 0.000 0.258 508 N C 0.529 176.238 175.510 0.332 0.000 1.219 508 N CA -0.223 52.949 53.050 0.202 0.000 0.902 508 N CB 1.488 40.103 38.487 0.213 0.000 1.076 508 N HN 0.567 nan 8.380 nan 0.000 0.455 509 I N 3.233 123.955 120.570 0.253 0.000 2.752 509 I HA -0.003 4.165 4.170 -0.004 0.000 0.287 509 I C 0.007 176.228 176.117 0.173 0.000 1.188 509 I CA 0.352 61.759 61.300 0.179 0.000 1.427 509 I CB 0.058 38.119 38.000 0.102 0.000 1.365 509 I HN 0.706 nan 8.210 nan 0.000 0.585 510 H N 2.772 121.699 119.070 -0.240 0.000 3.003 510 H HA 0.356 4.909 4.556 -0.004 0.000 0.327 510 H C -1.635 173.441 175.328 -0.420 0.000 1.353 510 H CA -1.035 54.702 56.048 -0.517 0.000 1.142 510 H CB 0.862 29.821 29.762 -1.338 0.000 1.864 510 H HN 0.366 nan 8.280 nan 0.000 0.529 511 T N 2.165 116.452 114.554 -0.446 0.000 2.779 511 T HA 0.256 4.604 4.350 -0.004 0.000 0.280 511 T C -0.481 173.937 174.700 -0.469 0.000 0.987 511 T CA -0.595 61.257 62.100 -0.414 0.000 0.966 511 T CB 0.419 69.137 68.868 -0.250 0.000 0.933 511 T HN 0.401 nan 8.240 nan 0.000 0.442 512 H N 3.821 122.593 119.070 -0.496 0.000 2.604 512 H HA 0.450 5.004 4.556 -0.003 0.000 0.306 512 H C -0.426 174.758 175.328 -0.239 0.000 1.075 512 H CA -0.195 55.594 56.048 -0.432 0.000 1.357 512 H CB 0.830 30.072 29.762 -0.866 0.000 1.426 512 H HN 0.358 nan 8.280 nan 0.000 0.470 513 L N 3.516 124.787 121.223 0.080 0.000 2.410 513 L HA 0.440 4.778 4.340 -0.004 0.000 0.270 513 L C -0.480 176.594 176.870 0.340 0.000 0.983 513 L CA -0.931 54.050 54.840 0.236 0.000 0.822 513 L CB 2.412 44.634 42.059 0.272 0.000 1.285 513 L HN 0.215 nan 8.230 nan 0.000 0.409 514 V N 1.189 121.277 119.914 0.290 0.000 2.604 514 V HA 0.376 4.494 4.120 -0.004 0.000 0.305 514 V C -0.676 175.399 176.094 -0.031 0.000 1.043 514 V CA -0.549 61.814 62.300 0.105 0.000 0.888 514 V CB 2.012 33.902 31.823 0.111 0.000 0.995 514 V HN 0.675 nan 8.190 nan 0.000 0.429 515 H N 3.697 122.381 119.070 -0.643 0.000 2.504 515 H HA 0.495 5.048 4.556 -0.004 0.000 0.322 515 H C -1.526 173.510 175.328 -0.486 0.000 1.055 515 H CA -0.413 55.199 56.048 -0.727 0.000 1.231 515 H CB 1.099 29.907 29.762 -1.591 0.000 1.417 515 H HN 0.614 nan 8.280 nan 0.000 0.472 516 Y N 2.807 122.897 120.300 -0.350 0.000 2.387 516 Y HA 0.246 4.793 4.550 -0.004 0.000 0.330 516 Y C 0.482 176.094 175.900 -0.480 0.000 1.133 516 Y CA -0.705 57.236 58.100 -0.265 0.000 1.152 516 Y CB 1.245 39.721 38.460 0.026 0.000 1.215 516 Y HN 0.475 nan 8.280 nan 0.000 0.466 517 R N 1.892 122.260 120.500 -0.221 0.000 2.265 517 R HA 0.614 4.951 4.340 -0.004 0.000 0.328 517 R C -1.998 174.069 176.300 -0.389 0.000 0.969 517 R CA -0.427 55.353 56.100 -0.534 0.000 0.832 517 R CB 0.684 30.662 30.300 -0.537 0.000 1.139 517 R HN 0.590 nan 8.270 nan 0.000 0.457 518 V N 4.628 124.236 119.914 -0.511 0.000 2.260 518 V HA 0.077 4.195 4.120 -0.004 0.000 0.263 518 V C -0.281 175.572 176.094 -0.402 0.000 1.036 518 V CA -0.671 61.390 62.300 -0.398 0.000 0.874 518 V CB 0.784 32.302 31.823 -0.508 0.000 1.116 518 V HN 0.729 nan 8.190 nan 0.000 0.454 519 D N 3.642 123.873 120.400 -0.282 0.000 2.597 519 D HA 0.115 4.753 4.640 -0.004 0.000 0.228 519 D C 0.370 176.583 176.300 -0.146 0.000 1.120 519 D CA 0.108 54.010 54.000 -0.164 0.000 1.083 519 D CB -0.032 40.775 40.800 0.011 0.000 1.116 519 D HN 0.429 nan 8.370 nan 0.000 0.487 520 L N 2.026 123.098 121.223 -0.253 0.000 2.513 520 L HA 0.091 4.429 4.340 -0.004 0.000 0.272 520 L C 0.269 177.080 176.870 -0.097 0.000 1.187 520 L CA 0.293 54.993 54.840 -0.232 0.000 0.895 520 L CB 0.465 42.288 42.059 -0.394 0.000 1.147 520 L HN 0.077 nan 8.230 nan 0.000 0.483 521 D N 2.691 123.051 120.400 -0.067 0.000 2.456 521 D HA 0.204 4.842 4.640 -0.004 0.000 0.287 521 D C -0.444 175.856 176.300 -0.001 0.000 1.186 521 D CA -0.190 53.799 54.000 -0.018 0.000 0.916 521 D CB 1.174 41.965 40.800 -0.014 0.000 1.029 521 D HN 0.036 nan 8.370 nan 0.000 0.498 522 V N 1.376 121.326 119.914 0.060 0.000 2.446 522 V HA 0.266 4.384 4.120 -0.004 0.000 0.276 522 V C 1.423 177.669 176.094 0.254 0.000 1.030 522 V CA -0.179 62.213 62.300 0.154 0.000 1.033 522 V CB 0.374 32.355 31.823 0.263 0.000 0.993 522 V HN 0.706 nan 8.190 nan 0.000 0.477 523 A N 3.508 126.546 122.820 0.363 0.000 2.765 523 A HA 0.023 4.341 4.320 -0.004 0.000 0.286 523 A C 1.167 178.797 177.584 0.077 0.000 1.457 523 A CA 1.480 53.649 52.037 0.220 0.000 0.899 523 A CB -1.469 17.570 19.000 0.066 0.000 0.983 523 A HN 2.649 nan 8.150 nan 0.000 0.584 524 G N -4.579 104.253 108.800 0.053 0.000 2.369 524 G HA2 0.421 4.379 3.960 -0.004 0.000 0.307 524 G HA3 0.421 4.379 3.960 -0.004 0.000 0.307 524 G C 0.244 175.151 174.900 0.012 0.000 1.327 524 G CA 0.318 45.430 45.100 0.020 0.000 0.963 524 G HN 0.905 nan 8.290 nan 0.000 0.590 525 T N 0.593 115.142 114.554 -0.009 0.000 2.777 525 T HA 0.261 4.608 4.350 -0.004 0.000 0.266 525 T C 1.639 176.337 174.700 -0.005 0.000 1.040 525 T CA 2.514 64.593 62.100 -0.035 0.000 1.141 525 T CB -0.360 68.471 68.868 -0.062 0.000 0.868 525 T HN 1.227 nan 8.240 nan 0.000 0.444 526 K N 2.244 122.652 120.400 0.014 0.000 2.276 526 K HA 0.534 4.852 4.320 -0.004 0.000 0.285 526 K C -0.389 176.247 176.600 0.059 0.000 1.062 526 K CA -0.450 55.855 56.287 0.030 0.000 0.918 526 K CB -0.224 32.288 32.500 0.020 0.000 1.055 526 K HN 0.569 nan 8.250 nan 0.000 0.477 527 N N -0.319 118.432 118.700 0.085 0.000 2.697 527 N HA 0.630 5.367 4.740 -0.004 0.000 0.272 527 N C -1.099 174.482 175.510 0.117 0.000 1.381 527 N CA -0.847 52.278 53.050 0.125 0.000 0.797 527 N CB 2.429 41.034 38.487 0.197 0.000 1.523 527 N HN 0.500 nan 8.380 nan 0.000 0.518 528 S N 0.027 115.801 115.700 0.124 0.000 2.634 528 S HA 0.563 5.031 4.470 -0.004 0.000 0.296 528 S C -1.729 172.939 174.600 0.114 0.000 1.104 528 S CA -0.567 57.695 58.200 0.102 0.000 0.920 528 S CB 1.296 64.529 63.200 0.055 0.000 1.111 528 S HN 0.435 nan 8.310 nan 0.000 0.493 529 F N 2.891 122.774 119.950 -0.113 0.000 2.482 529 F HA 0.625 5.150 4.527 -0.004 0.000 0.331 529 F C -0.424 175.277 175.800 -0.165 0.000 1.115 529 F CA -0.420 57.379 58.000 -0.335 0.000 0.955 529 F CB 1.115 39.790 39.000 -0.541 0.000 1.136 529 F HN 0.652 nan 8.300 nan 0.000 0.452 530 Q N 3.161 122.374 119.800 -0.978 0.000 2.501 530 Q HA 0.741 5.079 4.340 -0.004 0.000 0.288 530 Q C -1.776 173.715 176.000 -0.849 0.000 1.051 530 Q CA -1.023 54.397 55.803 -0.638 0.000 0.788 530 Q CB 2.456 31.072 28.738 -0.203 0.000 1.469 530 Q HN 0.708 nan 8.270 nan 0.000 0.416 531 T N -0.688 113.669 114.554 -0.329 0.000 2.906 531 T HA 0.726 5.073 4.350 -0.004 0.000 0.295 531 T C -0.723 173.958 174.700 -0.031 0.000 1.061 531 T CA -0.819 61.169 62.100 -0.186 0.000 1.000 531 T CB 1.106 69.966 68.868 -0.014 0.000 1.103 531 T HN 0.558 nan 8.240 nan 0.000 0.486 532 L N 1.345 122.560 121.223 -0.014 0.000 2.365 532 L HA 0.846 5.184 4.340 -0.004 0.000 0.273 532 L C 0.258 177.153 176.870 0.041 0.000 1.000 532 L CA -0.907 53.920 54.840 -0.022 0.000 0.819 532 L CB 1.576 43.541 42.059 -0.157 0.000 1.284 532 L HN 1.051 nan 8.230 nan 0.000 0.418 533 Q N 3.020 122.840 119.800 0.033 0.000 2.484 533 Q HA 0.687 5.025 4.340 -0.004 0.000 0.285 533 Q C -1.021 174.999 176.000 0.032 0.000 1.097 533 Q CA -0.807 55.032 55.803 0.059 0.000 0.802 533 Q CB 2.875 31.657 28.738 0.074 0.000 1.444 533 Q HN 0.634 nan 8.270 nan 0.000 0.429 534 M N 1.961 121.589 119.600 0.046 0.000 2.144 534 M HA 0.633 5.111 4.480 -0.004 0.000 0.356 534 M C -0.799 175.523 176.300 0.036 0.000 1.217 534 M CA -0.266 55.055 55.300 0.034 0.000 1.087 534 M CB 0.231 32.857 32.600 0.043 0.000 1.609 534 M HN 0.979 nan 8.290 nan 0.000 0.467 535 K N 5.850 126.267 120.400 0.028 0.000 2.426 535 K HA 0.651 4.969 4.320 -0.004 0.000 0.254 535 K C -1.049 175.565 176.600 0.025 0.000 0.936 535 K CA -0.609 55.695 56.287 0.028 0.000 0.801 535 K CB 1.067 33.583 32.500 0.026 0.000 1.139 535 K HN 0.879 nan 8.250 nan 0.000 0.424 536 L N 1.923 123.161 121.223 0.025 0.000 2.467 536 L HA 0.289 4.627 4.340 -0.004 0.000 0.270 536 L C 1.060 177.942 176.870 0.020 0.000 1.205 536 L CA -0.204 54.649 54.840 0.023 0.000 0.828 536 L CB 0.895 42.968 42.059 0.023 0.000 1.101 536 L HN 0.949 nan 8.230 nan 0.000 0.479 537 E N 1.335 121.546 120.200 0.019 0.000 2.277 537 E HA 0.345 4.693 4.350 -0.004 0.000 0.266 537 E C -1.177 175.432 176.600 0.014 0.000 0.901 537 E CA -0.999 55.410 56.400 0.016 0.000 0.782 537 E CB 1.970 31.680 29.700 0.016 0.000 1.228 537 E HN 0.380 nan 8.360 nan 0.000 0.424 538 N N 2.986 121.692 118.700 0.010 0.000 2.479 538 N HA 0.348 5.086 4.740 -0.004 0.000 0.261 538 N C -1.046 174.466 175.510 0.002 0.000 0.979 538 N CA -0.613 52.440 53.050 0.006 0.000 0.930 538 N CB 0.731 39.221 38.487 0.004 0.000 1.172 538 N HN 0.687 nan 8.380 nan 0.000 0.499 539 I N -1.137 119.433 120.570 0.000 0.000 3.042 539 I HA 0.574 4.742 4.170 -0.004 0.000 0.310 539 I C -0.151 175.957 176.117 -0.015 0.000 1.117 539 I CA -0.855 60.443 61.300 -0.003 0.000 1.003 539 I CB 1.880 39.883 38.000 0.005 0.000 1.228 539 I HN 0.057 nan 8.210 nan 0.000 0.443 540 T N 2.544 117.086 114.554 -0.020 0.000 2.916 540 T HA 0.043 4.391 4.350 -0.004 0.000 0.303 540 T C 0.363 175.029 174.700 -0.058 0.000 1.025 540 T CA 0.034 62.111 62.100 -0.038 0.000 1.142 540 T CB -0.144 68.704 68.868 -0.033 0.000 0.947 540 T HN 0.572 nan 8.240 nan 0.000 0.544 541 N N 4.333 122.967 118.700 -0.110 0.000 2.418 541 N HA 0.023 4.761 4.740 -0.004 0.000 0.277 541 N C -1.657 173.735 175.510 -0.196 0.000 1.317 541 N CA -1.892 51.021 53.050 -0.228 0.000 0.922 541 N CB 1.023 39.261 38.487 -0.414 0.000 1.194 541 N HN 0.254 nan 8.380 nan 0.000 0.485 542 P HA -0.059 nan 4.420 nan 0.000 0.225 542 P C 0.631 177.998 177.300 0.112 0.000 1.148 542 P CA 1.057 64.182 63.100 0.041 0.000 0.779 542 P CB -0.091 31.679 31.700 0.117 0.000 0.780 543 W N -2.194 119.115 121.300 0.015 0.000 2.846 543 W HA 0.594 5.251 4.660 -0.004 0.000 0.391 543 W C -0.546 175.984 176.519 0.019 0.000 1.011 543 W CA -0.348 57.004 57.345 0.011 0.000 1.832 543 W CB -0.130 29.329 29.460 -0.001 0.000 1.151 543 W HN -0.073 nan 8.180 nan 0.000 0.582 544 S N 1.575 117.086 115.700 -0.315 0.000 2.769 544 S HA 0.270 4.738 4.470 -0.004 0.000 0.150 544 S C -2.121 172.406 174.600 -0.122 0.000 1.034 544 S CA -0.485 57.566 58.200 -0.248 0.000 1.096 544 S CB 0.495 63.363 63.200 -0.554 0.000 1.567 544 S HN -0.273 nan 8.310 nan 0.000 0.435 545 P HA -0.080 nan 4.420 nan 0.000 0.221 545 P C 1.947 179.206 177.300 -0.069 0.000 1.145 545 P CA 1.387 64.454 63.100 -0.054 0.000 0.795 545 P CB 0.052 31.735 31.700 -0.029 0.000 0.775 546 R N -0.576 119.877 120.500 -0.079 0.000 2.096 546 R HA -0.125 4.212 4.340 -0.004 0.000 0.235 546 R C 1.075 177.176 176.300 -0.332 0.000 1.127 546 R CA 1.559 57.525 56.100 -0.223 0.000 0.968 546 R CB -1.985 28.110 30.300 -0.342 0.000 0.861 546 R HN 0.408 nan 8.270 nan 0.000 0.440 547 H N -1.372 117.607 119.070 -0.151 0.000 2.585 547 H HA 0.717 5.271 4.556 -0.004 0.000 0.338 547 H C 0.072 175.309 175.328 -0.151 0.000 1.295 547 H CA -0.816 55.139 56.048 -0.155 0.000 1.356 547 H CB 0.986 30.623 29.762 -0.210 0.000 1.736 547 H HN 0.156 nan 8.280 nan 0.000 0.629 548 R N -0.041 120.471 120.500 0.021 0.000 2.919 548 R HA 0.634 4.972 4.340 -0.004 0.000 0.260 548 R C -1.299 174.983 176.300 -0.030 0.000 1.067 548 R CA -1.078 55.009 56.100 -0.022 0.000 1.003 548 R CB 2.012 32.303 30.300 -0.014 0.000 1.192 548 R HN 0.331 nan 8.270 nan 0.000 0.488 549 V N 1.522 121.422 119.914 -0.022 0.000 2.482 549 V HA 0.304 4.422 4.120 -0.004 0.000 0.295 549 V C -0.710 175.390 176.094 0.010 0.000 1.026 549 V CA -0.759 61.539 62.300 -0.003 0.000 0.856 549 V CB 2.150 33.977 31.823 0.008 0.000 1.001 549 V HN 0.404 nan 8.190 nan 0.000 0.424 550 V N 6.499 126.423 119.914 0.016 0.000 2.357 550 V HA 0.680 4.798 4.120 -0.004 0.000 0.284 550 V C -0.199 175.910 176.094 0.025 0.000 1.018 550 V CA -0.358 61.953 62.300 0.018 0.000 0.841 550 V CB 1.272 33.104 31.823 0.016 0.000 0.991 550 V HN 1.039 nan 8.190 nan 0.000 0.437 551 Q N 4.909 124.725 119.800 0.026 0.000 2.534 551 Q HA 0.668 5.006 4.340 -0.004 0.000 0.290 551 Q C -3.184 172.832 176.000 0.028 0.000 0.991 551 Q CA -2.178 53.644 55.803 0.030 0.000 0.783 551 Q CB 2.572 31.332 28.738 0.037 0.000 1.470 551 Q HN 0.348 nan 8.270 nan 0.000 0.406 552 P HA 0.142 nan 4.420 nan 0.000 0.269 552 P C -0.897 176.416 177.300 0.022 0.000 1.215 552 P CA 0.158 63.273 63.100 0.025 0.000 0.780 552 P CB 0.802 32.518 31.700 0.026 0.000 0.898 553 T N -0.408 114.157 114.554 0.019 0.000 2.956 553 T HA 0.447 4.795 4.350 -0.004 0.000 0.312 553 T C -1.131 173.575 174.700 0.010 0.000 1.151 553 T CA -0.891 61.218 62.100 0.015 0.000 1.024 553 T CB 0.689 69.567 68.868 0.017 0.000 1.140 553 T HN 0.183 nan 8.240 nan 0.000 0.473 554 L N 2.451 123.677 121.223 0.005 0.000 2.295 554 L HA 0.529 4.867 4.340 -0.004 0.000 0.288 554 L C 0.301 177.172 176.870 0.001 0.000 1.079 554 L CA 0.099 54.935 54.840 -0.007 0.000 0.830 554 L CB 0.154 42.207 42.059 -0.011 0.000 1.200 554 L HN 0.863 nan 8.230 nan 0.000 0.438 555 E N 3.610 123.810 120.200 0.001 0.000 2.216 555 E HA 0.605 4.953 4.350 -0.004 0.000 0.279 555 E C -0.885 175.717 176.600 0.003 0.000 0.997 555 E CA -0.271 56.134 56.400 0.007 0.000 0.817 555 E CB 1.139 30.849 29.700 0.016 0.000 1.096 555 E HN 0.775 nan 8.360 nan 0.000 0.393 556 Q N 1.628 121.431 119.800 0.005 0.000 2.348 556 Q HA 0.535 4.873 4.340 -0.004 0.000 0.271 556 Q C -0.833 175.168 176.000 0.002 0.000 1.067 556 Q CA -0.738 55.068 55.803 0.004 0.000 0.839 556 Q CB 2.033 30.775 28.738 0.006 0.000 1.354 556 Q HN 0.556 nan 8.270 nan 0.000 0.447 557 T N 2.399 116.960 114.554 0.012 0.000 2.879 557 T HA 0.472 4.820 4.350 -0.004 0.000 0.290 557 T C -0.798 173.900 174.700 -0.003 0.000 0.993 557 T CA -0.572 61.512 62.100 -0.026 0.000 0.975 557 T CB 1.301 70.163 68.868 -0.009 0.000 0.981 557 T HN 0.647 nan 8.240 nan 0.000 0.439 558 Q N 1.934 121.691 119.800 -0.071 0.000 2.227 558 Q HA 0.450 4.787 4.340 -0.004 0.000 0.245 558 Q C -1.186 174.752 176.000 -0.104 0.000 0.926 558 Q CA -0.441 55.359 55.803 -0.005 0.000 0.895 558 Q CB 1.384 30.108 28.738 -0.024 0.000 1.230 558 Q HN 0.640 nan 8.270 nan 0.000 0.450 559 Y N -0.546 119.744 120.300 -0.016 0.000 2.361 559 Y HA 0.235 4.783 4.550 -0.003 0.000 0.337 559 Y C 0.712 176.600 175.900 -0.020 0.000 0.965 559 Y CA -0.480 57.653 58.100 0.055 0.000 1.091 559 Y CB 2.232 40.829 38.460 0.229 0.000 1.182 559 Y HN 0.557 nan 8.280 nan 0.000 0.450 560 S N 1.202 116.901 115.700 -0.000 0.000 2.564 560 S HA 0.135 4.603 4.470 -0.004 0.000 0.231 560 S C -0.707 173.495 174.600 -0.663 0.000 1.067 560 S CA -0.088 57.892 58.200 -0.366 0.000 0.908 560 S CB 0.330 63.235 63.200 -0.492 0.000 0.809 560 S HN 0.605 nan 8.310 nan 0.000 0.491 561 W N 1.793 123.144 121.300 0.084 0.000 2.761 561 W HA 0.523 5.181 4.660 -0.004 0.000 0.340 561 W C 0.964 177.523 176.519 0.067 0.000 1.072 561 W CA -0.850 56.529 57.345 0.056 0.000 1.215 561 W CB 0.614 30.085 29.460 0.019 0.000 1.420 561 W HN -0.057 nan 8.180 nan 0.000 0.519 562 E N 0.551 120.903 120.200 0.253 0.000 2.048 562 E HA -0.342 4.006 4.350 -0.004 0.000 0.202 562 E C 2.071 178.725 176.600 0.089 0.000 1.021 562 E CA 1.826 58.307 56.400 0.135 0.000 0.825 562 E CB -0.029 29.728 29.700 0.095 0.000 0.756 562 E HN 0.255 nan 8.360 nan 0.000 0.454 563 R N 1.325 121.880 120.500 0.090 0.000 2.170 563 R HA -0.190 4.148 4.340 -0.004 0.000 0.242 563 R C 1.897 178.213 176.300 0.026 0.000 1.145 563 R CA 1.670 57.786 56.100 0.028 0.000 0.984 563 R CB -0.296 30.020 30.300 0.026 0.000 0.869 563 R HN 0.299 nan 8.270 nan 0.000 0.455 564 Q N -1.221 118.649 119.800 0.117 0.000 2.226 564 Q HA -0.004 4.334 4.340 -0.004 0.000 0.204 564 Q C 1.057 177.124 176.000 0.112 0.000 0.975 564 Q CA 1.407 57.286 55.803 0.128 0.000 0.866 564 Q CB 0.064 28.936 28.738 0.224 0.000 0.915 564 Q HN 0.426 nan 8.270 nan 0.000 0.440 565 A N 0.108 122.976 122.820 0.080 0.000 2.545 565 A HA 0.496 4.814 4.320 -0.004 0.000 0.277 565 A C 0.315 177.826 177.584 -0.123 0.000 1.301 565 A CA -0.144 51.854 52.037 -0.065 0.000 0.935 565 A CB 0.363 19.307 19.000 -0.094 0.000 1.093 565 A HN 0.172 nan 8.150 nan 0.000 0.519 566 A N 0.384 123.077 122.820 -0.212 0.000 2.444 566 A HA 0.657 4.975 4.320 -0.004 0.000 0.332 566 A C -0.790 176.748 177.584 -0.077 0.000 1.430 566 A CA -0.348 51.557 52.037 -0.221 0.000 0.975 566 A CB -0.600 18.140 19.000 -0.432 0.000 1.147 566 A HN 0.312 nan 8.150 nan 0.000 0.524 567 F N 2.095 122.120 119.950 0.126 0.000 2.390 567 F HA 0.503 5.029 4.527 -0.003 0.000 0.361 567 F C 1.371 177.307 175.800 0.227 0.000 1.124 567 F CA 0.000 58.101 58.000 0.168 0.000 1.149 567 F CB 0.788 39.847 39.000 0.098 0.000 1.160 567 F HN 0.741 nan 8.300 nan 0.000 0.501 568 R N 2.222 122.933 120.500 0.353 0.000 2.649 568 R HA 0.284 4.621 4.340 -0.004 0.000 0.270 568 R C 0.520 176.876 176.300 0.094 0.000 1.105 568 R CA -0.210 56.003 56.100 0.188 0.000 1.193 568 R CB -0.421 29.983 30.300 0.174 0.000 1.120 568 R HN 0.734 nan 8.270 nan 0.000 0.561 569 F N 0.826 120.851 119.950 0.125 0.000 2.365 569 F HA -0.041 4.484 4.527 -0.004 0.000 0.300 569 F C 2.882 178.746 175.800 0.107 0.000 1.090 569 F CA 2.386 60.453 58.000 0.111 0.000 1.408 569 F CB -0.028 39.007 39.000 0.059 0.000 1.060 569 F HN 0.756 nan 8.300 nan 0.000 0.534 570 K N 0.739 121.289 120.400 0.251 0.000 2.137 570 K HA 0.019 4.337 4.320 -0.004 0.000 0.202 570 K C 1.201 177.902 176.600 0.168 0.000 1.052 570 K CA 0.426 56.821 56.287 0.179 0.000 0.961 570 K CB -0.779 31.802 32.500 0.134 0.000 0.741 570 K HN 0.187 nan 8.250 nan 0.000 0.452 571 R N 1.927 122.536 120.500 0.183 0.000 2.446 571 R HA 0.212 4.550 4.340 -0.004 0.000 0.325 571 R C 0.050 176.493 176.300 0.239 0.000 0.997 571 R CA 0.460 56.684 56.100 0.206 0.000 1.010 571 R CB -0.447 29.993 30.300 0.233 0.000 0.946 571 R HN 0.426 nan 8.270 nan 0.000 0.422 572 K N 4.539 125.059 120.400 0.199 0.000 2.472 572 K HA -0.035 4.283 4.320 -0.004 0.000 0.280 572 K C -0.264 176.455 176.600 0.199 0.000 1.028 572 K CA -0.045 56.347 56.287 0.174 0.000 1.045 572 K CB 0.220 32.803 32.500 0.139 0.000 0.902 572 K HN 0.469 nan 8.250 nan 0.000 0.478 573 L N 4.717 126.012 121.223 0.120 0.000 2.319 573 L HA 0.328 4.666 4.340 -0.004 0.000 0.280 573 L C -1.963 174.909 176.870 0.003 0.000 1.099 573 L CA -1.906 52.935 54.840 0.002 0.000 0.828 573 L CB 0.972 42.987 42.059 -0.073 0.000 1.150 573 L HN 0.620 nan 8.230 nan 0.000 0.442 574 P HA 0.089 nan 4.420 nan 0.000 0.268 574 P C 0.509 177.804 177.300 -0.007 0.000 1.205 574 P CA -0.197 62.930 63.100 0.045 0.000 0.771 574 P CB 0.460 32.214 31.700 0.091 0.000 0.858 575 K N 0.375 120.799 120.400 0.041 0.000 2.209 575 K HA -0.085 4.232 4.320 -0.004 0.000 0.204 575 K C 0.334 176.841 176.600 -0.155 0.000 1.048 575 K CA 1.323 57.604 56.287 -0.011 0.000 0.940 575 K CB -0.763 31.790 32.500 0.088 0.000 0.729 575 K HN 0.523 nan 8.250 nan 0.000 0.451 576 Y N -0.440 119.794 120.300 -0.111 0.000 2.326 576 Y HA 0.460 5.008 4.550 -0.004 0.000 0.331 576 Y C -0.348 175.433 175.900 -0.199 0.000 0.962 576 Y CA -1.085 56.900 58.100 -0.192 0.000 1.167 576 Y CB 1.285 39.581 38.460 -0.272 0.000 1.148 576 Y HN -0.086 nan 8.280 nan 0.000 0.463 577 L N 6.111 127.288 121.223 -0.077 0.000 2.318 577 L HA 0.554 4.892 4.340 -0.004 0.000 0.277 577 L C -1.020 175.879 176.870 0.047 0.000 1.008 577 L CA -0.412 54.416 54.840 -0.020 0.000 0.846 577 L CB 0.922 43.033 42.059 0.087 0.000 1.220 577 L HN 0.458 nan 8.230 nan 0.000 0.423 578 L N 3.257 124.394 121.223 -0.144 0.000 2.341 578 L HA 0.558 4.896 4.340 -0.004 0.000 0.278 578 L C -1.037 175.827 176.870 -0.011 0.000 1.005 578 L CA -0.470 54.362 54.840 -0.013 0.000 0.818 578 L CB 2.034 44.027 42.059 -0.110 0.000 1.259 578 L HN 0.344 nan 8.230 nan 0.000 0.418 579 F N 0.909 120.963 119.950 0.173 0.000 2.375 579 F HA 0.404 4.929 4.527 -0.003 0.000 0.361 579 F C 0.717 176.626 175.800 0.181 0.000 1.117 579 F CA -0.693 57.435 58.000 0.213 0.000 1.037 579 F CB 1.923 41.037 39.000 0.190 0.000 1.192 579 F HN 0.358 nan 8.300 nan 0.000 0.452 580 T N -0.806 113.898 114.554 0.249 0.000 2.925 580 T HA 0.590 4.937 4.350 -0.004 0.000 0.285 580 T C -0.106 174.702 174.700 0.181 0.000 1.021 580 T CA -0.848 61.375 62.100 0.205 0.000 1.042 580 T CB 1.827 70.772 68.868 0.127 0.000 1.037 580 T HN 0.429 nan 8.240 nan 0.000 0.481 581 S N 1.580 117.378 115.700 0.165 0.000 2.578 581 S HA 0.468 4.935 4.470 -0.004 0.000 0.283 581 S C -1.593 173.038 174.600 0.051 0.000 1.195 581 S CA -1.916 56.345 58.200 0.102 0.000 1.050 581 S CB 0.752 64.001 63.200 0.082 0.000 1.012 581 S HN 0.604 nan 8.310 nan 0.000 0.511 582 P HA -0.079 nan 4.420 nan 0.000 0.218 582 P C -0.217 177.070 177.300 -0.021 0.000 1.149 582 P CA 0.933 64.035 63.100 0.003 0.000 0.817 582 P CB -0.016 31.682 31.700 -0.002 0.000 0.785 583 Q N 0.559 120.335 119.800 -0.041 0.000 2.386 583 Q HA 0.049 4.387 4.340 -0.004 0.000 0.282 583 Q C 0.053 176.000 176.000 -0.087 0.000 1.050 583 Q CA 0.661 56.417 55.803 -0.080 0.000 0.918 583 Q CB 0.277 28.942 28.738 -0.122 0.000 1.266 583 Q HN 0.324 nan 8.270 nan 0.000 0.423 584 E N 1.348 121.486 120.200 -0.103 0.000 2.222 584 E HA 0.138 4.486 4.350 -0.004 0.000 0.267 584 E C -0.358 176.148 176.600 -0.156 0.000 0.963 584 E CA -0.826 55.513 56.400 -0.101 0.000 0.837 584 E CB 1.018 30.663 29.700 -0.093 0.000 1.183 584 E HN 0.553 nan 8.360 nan 0.000 0.403 585 N N 1.005 119.618 118.700 -0.145 0.000 2.431 585 N HA 0.162 4.900 4.740 -0.004 0.000 0.289 585 N C -2.185 173.113 175.510 -0.354 0.000 1.277 585 N CA -1.463 51.450 53.050 -0.229 0.000 0.972 585 N CB -0.444 37.951 38.487 -0.154 0.000 1.143 585 N HN 0.046 nan 8.380 nan 0.000 0.578 586 P HA 0.085 nan 4.420 nan 0.000 0.234 586 P C -0.150 176.590 177.300 -0.933 0.000 1.167 586 P CA 1.017 63.541 63.100 -0.959 0.000 0.763 586 P CB -0.147 30.697 31.700 -1.428 0.000 0.835 587 W N -1.829 119.473 121.300 0.004 0.000 2.991 587 W HA 0.464 5.122 4.660 -0.004 0.000 0.391 587 W C 1.135 177.642 176.519 -0.021 0.000 1.054 587 W CA -0.089 57.274 57.345 0.031 0.000 1.856 587 W CB 0.055 29.572 29.460 0.094 0.000 1.132 587 W HN -0.053 nan 8.180 nan 0.000 0.601 588 G N 0.085 108.891 108.800 0.009 0.000 2.194 588 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.236 588 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.236 588 G C 0.103 174.866 174.900 -0.228 0.000 0.987 588 G CA -0.285 44.729 45.100 -0.142 0.000 0.635 588 G HN 0.406 nan 8.290 nan 0.000 0.520 589 H N 0.979 120.053 119.070 0.007 0.000 2.483 589 H HA 0.616 5.170 4.556 -0.003 0.000 0.338 589 H C 0.812 176.127 175.328 -0.022 0.000 1.152 589 H CA 0.182 56.229 56.048 -0.002 0.000 1.264 589 H CB 1.196 30.951 29.762 -0.012 0.000 1.510 589 H HN 0.580 nan 8.280 nan 0.000 0.530 590 K N 2.791 123.266 120.400 0.125 0.000 2.401 590 K HA 0.107 4.425 4.320 -0.004 0.000 0.278 590 K C 0.452 177.106 176.600 0.090 0.000 1.018 590 K CA -0.283 56.051 56.287 0.078 0.000 0.981 590 K CB -0.205 32.351 32.500 0.093 0.000 0.933 590 K HN 0.596 nan 8.250 nan 0.000 0.477 591 R N 1.523 122.040 120.500 0.027 0.000 2.347 591 R HA 0.363 4.701 4.340 -0.004 0.000 0.304 591 R C 0.076 176.521 176.300 0.241 0.000 1.072 591 R CA 0.266 56.379 56.100 0.022 0.000 0.980 591 R CB 0.578 30.716 30.300 -0.270 0.000 0.986 591 R HN 0.919 nan 8.270 nan 0.000 0.448 592 S N 2.006 117.928 115.700 0.369 0.000 2.596 592 S HA 0.430 4.898 4.470 -0.004 0.000 0.270 592 S C -1.510 173.288 174.600 0.330 0.000 1.155 592 S CA -0.955 57.490 58.200 0.407 0.000 0.827 592 S CB 1.197 64.608 63.200 0.352 0.000 1.130 592 S HN 0.483 nan 8.310 nan 0.000 0.467 593 Y N 0.697 121.129 120.300 0.219 0.000 2.364 593 Y HA 0.605 5.153 4.550 -0.004 0.000 0.340 593 Y C 0.454 176.465 175.900 0.184 0.000 0.975 593 Y CA -0.578 57.593 58.100 0.119 0.000 1.089 593 Y CB 1.828 40.257 38.460 -0.051 0.000 1.192 593 Y HN 0.836 nan 8.280 nan 0.000 0.454 594 R N 3.968 124.582 120.500 0.190 0.000 2.368 594 R HA 0.495 4.832 4.340 -0.004 0.000 0.302 594 R C -1.733 174.640 176.300 0.122 0.000 1.002 594 R CA -0.777 55.391 56.100 0.113 0.000 0.929 594 R CB 0.757 31.035 30.300 -0.038 0.000 1.073 594 R HN 0.583 nan 8.270 nan 0.000 0.464 595 L N 3.959 125.258 121.223 0.128 0.000 2.272 595 L HA 0.338 4.676 4.340 -0.004 0.000 0.289 595 L C -1.020 175.828 176.870 -0.038 0.000 1.032 595 L CA -0.009 54.857 54.840 0.044 0.000 0.810 595 L CB 1.382 43.467 42.059 0.042 0.000 1.205 595 L HN 0.727 nan 8.230 nan 0.000 0.422 596 Q N 5.139 124.896 119.800 -0.073 0.000 2.339 596 Q HA 0.502 4.840 4.340 -0.004 0.000 0.268 596 Q C -1.328 174.561 176.000 -0.185 0.000 1.027 596 Q CA -0.430 55.285 55.803 -0.146 0.000 0.759 596 Q CB 1.280 29.909 28.738 -0.182 0.000 1.244 596 Q HN 0.720 nan 8.270 nan 0.000 0.464 597 I N 3.637 124.144 120.570 -0.105 0.000 2.365 597 I HA 0.208 4.376 4.170 -0.004 0.000 0.291 597 I C -0.343 175.798 176.117 0.041 0.000 1.004 597 I CA -0.422 60.860 61.300 -0.030 0.000 1.311 597 I CB 0.927 38.942 38.000 0.025 0.000 1.401 597 I HN 0.617 nan 8.210 nan 0.000 0.491 598 H N 4.426 123.544 119.070 0.081 0.000 2.623 598 H HA 0.511 5.064 4.556 -0.004 0.000 0.299 598 H C -0.431 174.945 175.328 0.080 0.000 1.052 598 H CA -0.404 55.671 56.048 0.045 0.000 1.231 598 H CB 1.326 31.084 29.762 -0.006 0.000 1.389 598 H HN 0.533 nan 8.280 nan 0.000 0.469 599 S N 2.646 118.475 115.700 0.216 0.000 2.611 599 S HA 0.311 4.778 4.470 -0.004 0.000 0.268 599 S C -0.476 174.231 174.600 0.179 0.000 1.156 599 S CA -0.742 57.583 58.200 0.209 0.000 0.817 599 S CB 1.411 64.766 63.200 0.259 0.000 1.122 599 S HN 0.683 nan 8.310 nan 0.000 0.466 600 M N 1.956 121.673 119.600 0.194 0.000 2.603 600 M HA 0.364 4.842 4.480 -0.004 0.000 0.380 600 M C 0.247 176.624 176.300 0.129 0.000 1.158 600 M CA -0.279 55.114 55.300 0.155 0.000 0.921 600 M CB 0.663 33.352 32.600 0.148 0.000 1.417 600 M HN 0.709 nan 8.290 nan 0.000 0.523 601 A N 0.861 123.782 122.820 0.169 0.000 2.386 601 A HA 0.378 4.696 4.320 -0.004 0.000 0.248 601 A C -0.313 177.067 177.584 -0.340 0.000 1.082 601 A CA 0.302 52.347 52.037 0.013 0.000 0.789 601 A CB 0.417 19.556 19.000 0.231 0.000 1.025 601 A HN 0.380 nan 8.150 nan 0.000 0.490 602 D N -0.879 119.044 120.400 -0.796 0.000 2.732 602 D HA 0.387 5.025 4.640 -0.004 0.000 0.292 602 D C -0.725 174.777 176.300 -1.329 0.000 1.135 602 D CA -0.414 52.919 54.000 -1.111 0.000 1.071 602 D CB 1.321 41.885 40.800 -0.393 0.000 1.457 602 D HN 0.448 nan 8.370 nan 0.000 0.547 603 Q N 0.224 119.577 119.800 -0.744 0.000 2.337 603 Q HA 0.287 4.625 4.340 -0.004 0.000 0.270 603 Q C -0.164 175.680 176.000 -0.260 0.000 1.002 603 Q CA 0.384 55.987 55.803 -0.334 0.000 0.888 603 Q CB 1.247 29.935 28.738 -0.083 0.000 1.222 603 Q HN 0.246 nan 8.270 nan 0.000 0.400 604 V N 3.550 123.336 119.914 -0.213 0.000 2.939 604 V HA 0.186 4.304 4.120 -0.004 0.000 0.228 604 V C 0.501 176.528 176.094 -0.112 0.000 1.162 604 V CA 0.101 62.302 62.300 -0.166 0.000 1.222 604 V CB -0.182 31.535 31.823 -0.177 0.000 1.053 604 V HN 0.647 nan 8.190 nan 0.000 0.504 605 L N 2.163 123.324 121.223 -0.102 0.000 2.395 605 L HA 0.336 4.674 4.340 -0.004 0.000 0.269 605 L C -2.389 174.462 176.870 -0.030 0.000 1.133 605 L CA -1.629 53.184 54.840 -0.045 0.000 0.812 605 L CB 0.283 42.325 42.059 -0.028 0.000 1.125 605 L HN 0.143 nan 8.230 nan 0.000 0.452 606 P HA 0.089 nan 4.420 nan 0.000 0.263 606 P C -2.438 174.895 177.300 0.056 0.000 1.195 606 P CA -0.974 62.136 63.100 0.017 0.000 0.762 606 P CB -0.142 31.561 31.700 0.006 0.000 0.799 607 P HA 0.006 nan 4.420 nan 0.000 0.261 607 P C 1.161 178.498 177.300 0.062 0.000 1.183 607 P CA 1.481 64.589 63.100 0.013 0.000 0.761 607 P CB 0.033 31.731 31.700 -0.003 0.000 0.785 608 G N 2.584 111.417 108.800 0.054 0.000 2.279 608 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.223 608 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.223 608 G C -0.192 174.778 174.900 0.116 0.000 1.015 608 G CA -0.446 44.697 45.100 0.071 0.000 0.621 608 G HN 0.593 nan 8.290 nan 0.000 0.506 609 W N 3.395 124.683 121.300 -0.020 0.000 2.581 609 W HA 0.442 5.100 4.660 -0.004 0.000 0.359 609 W C 0.927 177.452 176.519 0.011 0.000 1.167 609 W CA 0.881 58.226 57.345 0.000 0.000 1.517 609 W CB -0.030 29.426 29.460 -0.006 0.000 1.519 609 W HN 0.534 nan 8.180 nan 0.000 0.431 610 Q N 2.375 121.903 119.800 -0.454 0.000 2.024 610 Q HA -0.374 3.964 4.340 -0.004 0.000 0.378 610 Q C 1.240 177.102 176.000 -0.229 0.000 0.665 610 Q CA 2.729 58.301 55.803 -0.386 0.000 0.962 610 Q CB -1.201 27.100 28.738 -0.728 0.000 2.463 610 Q HN 0.613 nan 8.270 nan 0.000 0.806 611 E N 1.267 121.275 120.200 -0.320 0.000 2.418 611 E HA -0.047 4.301 4.350 -0.004 0.000 0.197 611 E C 1.603 178.038 176.600 -0.276 0.000 1.026 611 E CA 0.781 56.897 56.400 -0.472 0.000 0.862 611 E CB -0.058 29.354 29.700 -0.480 0.000 0.799 611 E HN 0.344 nan 8.360 nan 0.000 0.518 612 E N 0.875 120.979 120.200 -0.161 0.000 2.265 612 E HA -0.261 4.087 4.350 -0.004 0.000 0.196 612 E C 1.666 178.169 176.600 -0.162 0.000 0.996 612 E CA 0.778 57.095 56.400 -0.140 0.000 0.832 612 E CB 0.139 29.808 29.700 -0.052 0.000 0.756 612 E HN 0.200 nan 8.360 nan 0.000 0.491 613 Q N 0.168 119.878 119.800 -0.150 0.000 2.297 613 Q HA -0.092 4.246 4.340 -0.004 0.000 0.208 613 Q C 1.646 177.559 176.000 -0.145 0.000 0.981 613 Q CA 1.568 57.292 55.803 -0.132 0.000 0.876 613 Q CB -0.302 28.369 28.738 -0.111 0.000 0.921 613 Q HN 0.303 nan 8.270 nan 0.000 0.446 614 A N 0.001 122.719 122.820 -0.170 0.000 2.072 614 A HA 0.130 4.448 4.320 -0.004 0.000 0.216 614 A C 1.236 178.810 177.584 -0.016 0.000 1.156 614 A CA 0.816 52.805 52.037 -0.080 0.000 0.701 614 A CB -0.205 18.738 19.000 -0.096 0.000 0.816 614 A HN 0.510 nan 8.150 nan 0.000 0.458 615 I N -3.037 117.375 120.570 -0.265 0.000 3.061 615 I HA 0.256 4.424 4.170 -0.004 0.000 0.341 615 I C 0.892 176.554 176.117 -0.759 0.000 1.457 615 I CA 0.276 61.146 61.300 -0.717 0.000 0.921 615 I CB 0.185 37.723 38.000 -0.771 0.000 1.845 615 I HN 0.031 nan 8.210 nan 0.000 0.535 616 T N -2.146 112.171 114.554 -0.395 0.000 3.072 616 T HA -0.091 4.256 4.350 -0.004 0.000 0.266 616 T C 1.427 176.072 174.700 -0.091 0.000 1.127 616 T CA 0.597 62.577 62.100 -0.200 0.000 1.107 616 T CB -0.385 68.469 68.868 -0.023 0.000 0.910 616 T HN 0.788 nan 8.240 nan 0.000 0.513 617 W N 1.435 122.624 121.300 -0.185 0.000 2.425 617 W HA 0.256 4.914 4.660 -0.003 0.000 0.277 617 W C 1.798 178.124 176.519 -0.321 0.000 1.231 617 W CA 0.286 57.284 57.345 -0.578 0.000 1.248 617 W CB -0.892 27.664 29.460 -1.507 0.000 1.117 617 W HN 0.363 nan 8.180 nan 0.000 0.568 618 A N 1.532 124.053 122.820 -0.498 0.000 2.235 618 A HA 0.007 4.324 4.320 -0.004 0.000 0.208 618 A C 2.064 179.671 177.584 0.038 0.000 1.172 618 A CA 0.453 52.338 52.037 -0.253 0.000 0.786 618 A CB -0.655 17.941 19.000 -0.674 0.000 0.804 618 A HN 0.337 nan 8.150 nan 0.000 0.479 619 R N -1.602 118.779 120.500 -0.199 0.000 2.193 619 R HA 0.008 4.346 4.340 -0.004 0.000 0.213 619 R C -0.665 175.372 176.300 -0.437 0.000 1.055 619 R CA 0.655 56.554 56.100 -0.334 0.000 0.995 619 R CB -0.031 29.789 30.300 -0.799 0.000 0.893 619 R HN 0.563 nan 8.270 nan 0.000 0.459 620 Y N 0.220 120.553 120.300 0.054 0.000 2.376 620 Y HA 0.273 4.821 4.550 -0.004 0.000 0.326 620 Y C -1.745 174.063 175.900 -0.154 0.000 0.970 620 Y CA -3.355 54.712 58.100 -0.055 0.000 1.248 620 Y CB 1.359 39.927 38.460 0.180 0.000 1.117 620 Y HN -0.136 nan 8.280 nan 0.000 0.476 621 P HA -0.138 nan 4.420 nan 0.000 0.218 621 P C -0.068 177.254 177.300 0.037 0.000 1.148 621 P CA 1.117 64.098 63.100 -0.199 0.000 0.822 621 P CB 0.881 32.371 31.700 -0.349 0.000 0.784 622 L N -1.245 120.035 121.223 0.094 0.000 2.408 622 L HA 0.757 5.095 4.340 -0.004 0.000 0.268 622 L C -1.617 175.432 176.870 0.298 0.000 0.986 622 L CA -1.213 53.712 54.840 0.141 0.000 0.820 622 L CB 2.035 44.074 42.059 -0.033 0.000 1.303 622 L HN -0.112 nan 8.230 nan 0.000 0.411 623 A N 4.213 127.228 122.820 0.326 0.000 2.422 623 A HA 0.797 5.114 4.320 -0.004 0.000 0.302 623 A C -1.683 176.131 177.584 0.384 0.000 1.041 623 A CA -0.552 51.675 52.037 0.317 0.000 0.708 623 A CB 1.833 21.090 19.000 0.429 0.000 1.257 623 A HN 0.523 nan 8.150 nan 0.000 0.414 624 V N 2.628 122.655 119.914 0.187 0.000 2.384 624 V HA 0.655 4.772 4.120 -0.004 0.000 0.287 624 V C 0.516 176.749 176.094 0.233 0.000 1.020 624 V CA 0.017 62.422 62.300 0.174 0.000 0.850 624 V CB 1.231 32.964 31.823 -0.151 0.000 0.987 624 V HN 1.111 nan 8.190 nan 0.000 0.436 625 T N 1.530 116.311 114.554 0.379 0.000 2.950 625 T HA 0.600 4.947 4.350 -0.004 0.000 0.288 625 T C -0.477 174.348 174.700 0.210 0.000 1.035 625 T CA -0.936 61.331 62.100 0.279 0.000 1.028 625 T CB 1.920 70.994 68.868 0.343 0.000 1.109 625 T HN 0.560 nan 8.240 nan 0.000 0.514 626 K N 1.095 121.578 120.400 0.138 0.000 2.276 626 K HA 0.254 4.572 4.320 -0.004 0.000 0.283 626 K C -0.668 176.002 176.600 0.117 0.000 1.044 626 K CA -0.811 55.551 56.287 0.125 0.000 0.944 626 K CB 0.366 32.919 32.500 0.088 0.000 1.012 626 K HN 0.681 nan 8.250 nan 0.000 0.472 627 Y N 2.891 123.212 120.300 0.034 0.000 2.702 627 Y HA 0.190 4.738 4.550 -0.004 0.000 0.336 627 Y C -0.078 175.818 175.900 -0.007 0.000 1.235 627 Y CA 0.960 59.067 58.100 0.013 0.000 1.492 627 Y CB 0.447 38.899 38.460 -0.015 0.000 1.308 627 Y HN 0.736 nan 8.280 nan 0.000 0.589 628 R N 3.781 123.802 120.500 -0.798 0.000 2.594 628 R HA 0.296 4.633 4.340 -0.004 0.000 0.265 628 R C 0.195 176.143 176.300 -0.586 0.000 1.070 628 R CA -0.289 55.524 56.100 -0.480 0.000 0.909 628 R CB 0.433 30.592 30.300 -0.234 0.000 1.243 628 R HN 0.683 nan 8.270 nan 0.000 0.455 629 E N 0.584 120.641 120.200 -0.237 0.000 2.338 629 E HA -0.110 4.238 4.350 -0.004 0.000 0.197 629 E C 1.425 177.987 176.600 -0.062 0.000 1.007 629 E CA 1.893 58.241 56.400 -0.087 0.000 0.849 629 E CB 0.240 29.976 29.700 0.060 0.000 0.774 629 E HN 0.736 nan 8.360 nan 0.000 0.506 630 S N -0.180 115.464 115.700 -0.093 0.000 2.593 630 S HA 0.058 4.526 4.470 -0.004 0.000 0.217 630 S C 0.854 175.407 174.600 -0.079 0.000 0.966 630 S CA -0.041 58.135 58.200 -0.041 0.000 0.914 630 S CB 0.043 63.230 63.200 -0.022 0.000 0.776 630 S HN 0.144 nan 8.310 nan 0.000 0.523 631 E N 0.624 120.679 120.200 -0.241 0.000 3.575 631 E HA 0.334 4.682 4.350 -0.004 0.000 0.201 631 E C 0.277 176.833 176.600 -0.074 0.000 0.999 631 E CA -0.089 56.022 56.400 -0.481 0.000 1.315 631 E CB 0.394 29.335 29.700 -1.265 0.000 1.146 631 E HN 0.351 nan 8.360 nan 0.000 0.453 632 L N -0.135 121.128 121.223 0.068 0.000 2.217 632 L HA 0.050 4.388 4.340 -0.004 0.000 0.211 632 L C 0.611 177.688 176.870 0.344 0.000 1.107 632 L CA 0.717 55.651 54.840 0.157 0.000 0.783 632 L CB 0.160 42.297 42.059 0.129 0.000 0.919 632 L HN 0.272 nan 8.230 nan 0.000 0.442 633 C N -1.387 118.171 119.300 0.429 0.000 2.547 633 C HA 0.263 4.721 4.460 -0.004 0.000 0.313 633 C C 1.487 176.798 174.990 0.534 0.000 1.191 633 C CA -0.911 58.377 59.018 0.450 0.000 1.474 633 C CB 1.631 29.528 27.740 0.262 0.000 2.081 633 C HN 0.374 nan 8.230 nan 0.000 0.476 634 S N 0.260 116.256 115.700 0.492 0.000 2.593 634 S HA 0.153 4.621 4.470 -0.004 0.000 0.217 634 S C 0.489 175.168 174.600 0.132 0.000 0.966 634 S CA 0.367 58.741 58.200 0.290 0.000 0.914 634 S CB 0.035 63.372 63.200 0.229 0.000 0.776 634 S HN 0.799 nan 8.310 nan 0.000 0.523 635 S N -0.025 115.680 115.700 0.009 0.000 2.819 635 S HA 0.810 5.278 4.470 -0.004 0.000 0.299 635 S C -1.126 173.277 174.600 -0.329 0.000 1.192 635 S CA 0.076 58.060 58.200 -0.359 0.000 0.847 635 S CB 1.299 64.393 63.200 -0.178 0.000 1.224 635 S HN 0.903 nan 8.310 nan 0.000 0.537 636 S N -0.229 115.214 115.700 -0.429 0.000 2.703 636 S HA 0.375 4.843 4.470 -0.004 0.000 0.273 636 S C 0.629 175.250 174.600 0.035 0.000 1.178 636 S CA -0.252 57.944 58.200 -0.006 0.000 0.838 636 S CB -0.081 63.294 63.200 0.291 0.000 1.178 636 S HN 1.164 nan 8.310 nan 0.000 0.494 637 I N -1.404 119.137 120.570 -0.049 0.000 3.291 637 I HA 0.187 4.355 4.170 -0.004 0.000 0.279 637 I C 1.053 177.023 176.117 -0.246 0.000 1.294 637 I CA 0.618 61.823 61.300 -0.158 0.000 1.428 637 I CB -0.592 37.276 38.000 -0.220 0.000 1.070 637 I HN 0.629 nan 8.210 nan 0.000 0.478 638 Y N -0.014 120.411 120.300 0.208 0.000 2.509 638 Y HA 0.105 4.653 4.550 -0.003 0.000 0.270 638 Y C 2.309 178.310 175.900 0.168 0.000 1.103 638 Y CA 0.260 58.451 58.100 0.153 0.000 1.278 638 Y CB -0.466 38.074 38.460 0.133 0.000 1.087 638 Y HN 0.109 nan 8.280 nan 0.000 0.542 639 H N 0.147 119.318 119.070 0.168 0.000 2.387 639 H HA -0.211 4.343 4.556 -0.003 0.000 0.299 639 H C 2.127 177.487 175.328 0.054 0.000 1.099 639 H CA 1.861 57.970 56.048 0.102 0.000 1.315 639 H CB -0.194 29.641 29.762 0.122 0.000 1.380 639 H HN 0.279 nan 8.280 nan 0.000 0.513 640 Q N 0.582 120.506 119.800 0.206 0.000 2.096 640 Q HA -0.115 4.223 4.340 -0.004 0.000 0.204 640 Q C 1.139 177.172 176.000 0.054 0.000 0.982 640 Q CA 1.815 57.713 55.803 0.159 0.000 0.850 640 Q CB 0.010 28.874 28.738 0.210 0.000 0.901 640 Q HN 0.337 nan 8.270 nan 0.000 0.422 641 N N -0.208 118.514 118.700 0.037 0.000 2.254 641 N HA 0.051 4.789 4.740 -0.004 0.000 0.190 641 N C -0.747 174.817 175.510 0.089 0.000 1.107 641 N CA 0.449 53.514 53.050 0.025 0.000 0.869 641 N CB 0.691 39.158 38.487 -0.033 0.000 0.983 641 N HN 0.170 nan 8.380 nan 0.000 0.487 642 D N -0.074 120.371 120.400 0.075 0.000 2.621 642 D HA 0.186 4.824 4.640 -0.004 0.000 0.274 642 D C -2.118 174.149 176.300 -0.055 0.000 1.215 642 D CA -1.544 52.543 54.000 0.145 0.000 0.810 642 D CB 1.180 42.133 40.800 0.256 0.000 1.248 642 D HN -0.020 nan 8.370 nan 0.000 0.517 643 P HA 0.012 nan 4.420 nan 0.000 0.241 643 P C 1.288 178.346 177.300 -0.403 0.000 1.191 643 P CA 0.216 63.066 63.100 -0.416 0.000 0.771 643 P CB 0.126 31.490 31.700 -0.561 0.000 0.929 644 W N 0.472 121.715 121.300 -0.094 0.000 2.481 644 W HA 0.053 4.711 4.660 -0.003 0.000 0.293 644 W C 0.455 176.907 176.519 -0.112 0.000 1.201 644 W CA 0.821 58.097 57.345 -0.114 0.000 1.328 644 W CB -0.586 28.811 29.460 -0.105 0.000 1.112 644 W HN 0.061 nan 8.180 nan 0.000 0.546 645 D N -0.460 120.023 120.400 0.138 0.000 2.861 645 D HA 0.202 4.839 4.640 -0.004 0.000 0.357 645 D C -2.465 173.743 176.300 -0.153 0.000 1.250 645 D CA -1.960 52.059 54.000 0.031 0.000 0.802 645 D CB 0.594 41.493 40.800 0.165 0.000 1.141 645 D HN -0.181 nan 8.370 nan 0.000 0.489 646 P HA 0.245 nan 4.420 nan 0.000 0.274 646 P C -2.031 175.038 177.300 -0.384 0.000 1.246 646 P CA -1.048 61.766 63.100 -0.478 0.000 0.795 646 P CB 0.889 32.028 31.700 -0.935 0.000 1.006 647 P HA 0.047 nan 4.420 nan 0.000 0.245 647 P C -0.239 177.086 177.300 0.042 0.000 1.206 647 P CA 0.568 63.585 63.100 -0.139 0.000 0.781 647 P CB 0.446 32.102 31.700 -0.073 0.000 0.994 648 V N 0.435 120.439 119.914 0.150 0.000 2.569 648 V HA 0.258 4.376 4.120 -0.004 0.000 0.301 648 V C -0.312 175.846 176.094 0.106 0.000 1.044 648 V CA -0.831 61.573 62.300 0.174 0.000 0.874 648 V CB 2.650 34.646 31.823 0.288 0.000 1.002 648 V HN -0.321 nan 8.190 nan 0.000 0.424 649 V N 4.795 124.663 119.914 -0.078 0.000 2.350 649 V HA 0.284 4.402 4.120 -0.004 0.000 0.285 649 V C 0.732 176.616 176.094 -0.350 0.000 1.014 649 V CA -0.273 61.954 62.300 -0.123 0.000 0.831 649 V CB 1.127 32.881 31.823 -0.114 0.000 1.000 649 V HN 0.863 nan 8.190 nan 0.000 0.433 650 F N 3.431 123.083 119.950 -0.497 0.000 2.202 650 F HA -0.173 4.352 4.527 -0.003 0.000 0.301 650 F C 2.095 177.605 175.800 -0.482 0.000 1.082 650 F CA 2.251 59.754 58.000 -0.829 0.000 1.313 650 F CB 0.180 38.946 39.000 -0.390 0.000 1.024 650 F HN 0.668 nan 8.300 nan 0.000 0.495 651 E N 0.744 120.837 120.200 -0.178 0.000 2.130 651 E HA -0.271 4.077 4.350 -0.004 0.000 0.196 651 E C 2.324 178.821 176.600 -0.172 0.000 0.998 651 E CA 2.200 58.546 56.400 -0.091 0.000 0.806 651 E CB -0.620 29.096 29.700 0.027 0.000 0.738 651 E HN 0.598 nan 8.360 nan 0.000 0.459 652 Q N -0.262 119.419 119.800 -0.200 0.000 2.170 652 Q HA -0.142 4.196 4.340 -0.004 0.000 0.203 652 Q C 2.087 178.122 176.000 0.057 0.000 0.976 652 Q CA 1.604 57.361 55.803 -0.076 0.000 0.858 652 Q CB -1.128 27.566 28.738 -0.072 0.000 0.907 652 Q HN 0.424 nan 8.270 nan 0.000 0.433 653 F N 0.589 120.389 119.950 -0.251 0.000 2.192 653 F HA -0.110 4.414 4.527 -0.004 0.000 0.301 653 F C 2.009 177.671 175.800 -0.229 0.000 1.079 653 F CA 0.718 58.541 58.000 -0.295 0.000 1.303 653 F CB -0.713 37.927 39.000 -0.599 0.000 1.024 653 F HN 0.240 nan 8.300 nan 0.000 0.494 654 L N -1.584 119.596 121.223 -0.071 0.000 2.509 654 L HA -0.071 4.267 4.340 -0.004 0.000 0.222 654 L C 2.423 179.314 176.870 0.036 0.000 1.123 654 L CA 0.310 55.117 54.840 -0.056 0.000 0.856 654 L CB -0.753 41.223 42.059 -0.138 0.000 0.985 654 L HN 0.234 nan 8.230 nan 0.000 0.456 655 H N 2.121 121.176 119.070 -0.024 0.000 2.352 655 H HA -0.157 4.397 4.556 -0.004 0.000 0.299 655 H C 1.576 176.905 175.328 0.002 0.000 1.097 655 H CA 1.933 57.975 56.048 -0.009 0.000 1.311 655 H CB 0.291 30.051 29.762 -0.004 0.000 1.377 655 H HN 0.485 nan 8.280 nan 0.000 0.504 656 N N 0.940 119.624 118.700 -0.026 0.000 2.521 656 N HA -0.152 4.585 4.740 -0.004 0.000 0.188 656 N C 0.076 175.567 175.510 -0.032 0.000 1.146 656 N CA 0.547 53.553 53.050 -0.074 0.000 0.893 656 N CB -1.015 37.480 38.487 0.013 0.000 0.975 656 N HN 0.197 nan 8.380 nan 0.000 0.451 657 N N 1.307 120.003 118.700 -0.008 0.000 2.726 657 N HA -0.228 4.510 4.740 -0.004 0.000 0.287 657 N C -1.196 174.432 175.510 0.198 0.000 1.052 657 N CA 0.563 53.651 53.050 0.063 0.000 0.805 657 N CB -0.888 37.594 38.487 -0.008 0.000 0.944 657 N HN 0.535 nan 8.380 nan 0.000 0.574 658 E N 0.584 120.902 120.200 0.196 0.000 2.349 658 E HA 0.087 4.435 4.350 -0.004 0.000 0.262 658 E C 0.538 177.301 176.600 0.272 0.000 1.088 658 E CA -0.788 55.756 56.400 0.240 0.000 0.899 658 E CB 0.541 30.316 29.700 0.126 0.000 1.044 658 E HN 0.477 nan 8.360 nan 0.000 0.420 659 N N 2.670 121.454 118.700 0.141 0.000 2.497 659 N HA -0.001 4.737 4.740 -0.004 0.000 0.268 659 N C 0.084 175.503 175.510 -0.153 0.000 1.171 659 N CA 0.076 52.942 53.050 -0.306 0.000 0.948 659 N CB 0.532 38.688 38.487 -0.552 0.000 1.069 659 N HN 0.526 nan 8.380 nan 0.000 0.460 660 I N -0.585 119.882 120.570 -0.171 0.000 3.762 660 I HA 0.363 4.530 4.170 -0.004 0.000 0.333 660 I C -0.757 175.336 176.117 -0.041 0.000 1.566 660 I CA -0.616 60.661 61.300 -0.038 0.000 1.129 660 I CB 0.022 38.049 38.000 0.045 0.000 1.218 660 I HN 0.274 nan 8.210 nan 0.000 0.456 661 E N 2.165 122.294 120.200 -0.118 0.000 2.152 661 E HA 0.170 4.518 4.350 -0.004 0.000 0.285 661 E C -0.234 176.342 176.600 -0.039 0.000 1.043 661 E CA -0.548 55.803 56.400 -0.081 0.000 0.839 661 E CB 0.549 30.166 29.700 -0.138 0.000 1.069 661 E HN 0.372 nan 8.360 nan 0.000 0.399 662 N N 3.265 121.966 118.700 0.001 0.000 2.688 662 N HA -0.197 4.540 4.740 -0.004 0.000 0.258 662 N C -1.320 174.200 175.510 0.016 0.000 1.016 662 N CA 0.808 53.866 53.050 0.014 0.000 0.747 662 N CB -0.331 38.157 38.487 0.000 0.000 0.895 662 N HN 0.440 nan 8.380 nan 0.000 0.543 663 E N -0.271 119.949 120.200 0.034 0.000 2.410 663 E HA 0.191 4.539 4.350 -0.004 0.000 0.269 663 E C -0.943 175.694 176.600 0.061 0.000 0.937 663 E CA -0.760 55.664 56.400 0.040 0.000 0.793 663 E CB 0.659 30.382 29.700 0.039 0.000 1.314 663 E HN 0.220 nan 8.360 nan 0.000 0.447 664 D N 1.783 122.216 120.400 0.055 0.000 2.346 664 D HA 0.098 4.736 4.640 -0.004 0.000 0.267 664 D C -0.487 175.889 176.300 0.126 0.000 1.320 664 D CA 0.303 54.335 54.000 0.053 0.000 0.951 664 D CB -0.230 40.565 40.800 -0.009 0.000 1.079 664 D HN 0.220 nan 8.370 nan 0.000 0.509 665 L N 2.804 124.106 121.223 0.132 0.000 2.379 665 L HA 0.474 4.811 4.340 -0.004 0.000 0.269 665 L C -0.007 176.942 176.870 0.133 0.000 1.084 665 L CA -1.052 53.892 54.840 0.174 0.000 0.802 665 L CB 1.759 43.974 42.059 0.260 0.000 1.175 665 L HN 0.029 nan 8.230 nan 0.000 0.448 666 V N 1.610 121.598 119.914 0.123 0.000 2.483 666 V HA 0.544 4.662 4.120 -0.004 0.000 0.297 666 V C 0.118 176.155 176.094 -0.095 0.000 1.027 666 V CA -0.624 61.642 62.300 -0.057 0.000 0.855 666 V CB 1.678 33.453 31.823 -0.080 0.000 0.995 666 V HN 0.883 nan 8.190 nan 0.000 0.424 667 A N 4.449 127.098 122.820 -0.283 0.000 2.304 667 A HA 0.813 5.131 4.320 -0.004 0.000 0.301 667 A C -1.378 175.975 177.584 -0.385 0.000 1.132 667 A CA -0.306 51.612 52.037 -0.198 0.000 0.819 667 A CB 0.533 19.288 19.000 -0.407 0.000 1.094 667 A HN 0.822 nan 8.150 nan 0.000 0.492 668 W N 1.318 122.601 121.300 -0.029 0.000 2.619 668 W HA 0.547 5.205 4.660 -0.003 0.000 0.327 668 W C -0.968 175.488 176.519 -0.106 0.000 1.027 668 W CA -0.494 56.784 57.345 -0.113 0.000 1.233 668 W CB 2.001 31.517 29.460 0.094 0.000 1.370 668 W HN 0.429 nan 8.180 nan 0.000 0.453 669 V N 2.877 122.762 119.914 -0.047 0.000 2.540 669 V HA 0.578 4.695 4.120 -0.004 0.000 0.302 669 V C -0.238 176.010 176.094 0.256 0.000 1.035 669 V CA -0.762 61.554 62.300 0.027 0.000 0.873 669 V CB 1.992 33.654 31.823 -0.269 0.000 0.992 669 V HN 0.476 nan 8.190 nan 0.000 0.428 670 T N 4.679 119.459 114.554 0.377 0.000 2.771 670 T HA 0.664 5.011 4.350 -0.004 0.000 0.281 670 T C -0.349 174.603 174.700 0.419 0.000 0.982 670 T CA -0.383 62.018 62.100 0.501 0.000 0.978 670 T CB 1.331 70.562 68.868 0.604 0.000 0.930 670 T HN 0.677 nan 8.240 nan 0.000 0.447 671 V N 0.567 120.730 119.914 0.416 0.000 2.914 671 V HA 1.108 5.226 4.120 -0.004 0.000 0.314 671 V C 0.103 176.396 176.094 0.333 0.000 1.084 671 V CA -0.723 61.797 62.300 0.366 0.000 0.963 671 V CB 1.644 33.682 31.823 0.359 0.000 1.025 671 V HN 1.107 nan 8.190 nan 0.000 0.432 672 G N 1.404 110.385 108.800 0.302 0.000 2.342 672 G HA2 0.756 4.714 3.960 -0.004 0.000 0.297 672 G HA3 0.756 4.714 3.960 -0.004 0.000 0.297 672 G C -1.673 173.413 174.900 0.310 0.000 1.313 672 G CA -0.062 45.184 45.100 0.243 0.000 0.830 672 G HN 2.092 nan 8.290 nan 0.000 0.506 673 F N -1.573 118.420 119.950 0.072 0.000 2.688 673 F HA 0.708 5.233 4.527 -0.003 0.000 0.308 673 F C -1.336 174.471 175.800 0.013 0.000 1.117 673 F CA -1.471 56.548 58.000 0.031 0.000 0.976 673 F CB 1.453 40.459 39.000 0.010 0.000 1.291 673 F HN 0.603 nan 8.300 nan 0.000 0.439 674 L N 3.932 125.201 121.223 0.077 0.000 2.433 674 L HA 0.315 4.652 4.340 -0.004 0.000 0.275 674 L C -0.627 176.309 176.870 0.109 0.000 1.128 674 L CA 0.395 55.219 54.840 -0.026 0.000 0.875 674 L CB -0.115 41.941 42.059 -0.004 0.000 1.171 674 L HN 0.856 nan 8.230 nan 0.000 0.463 675 H N 6.134 125.035 119.070 -0.282 0.000 2.661 675 H HA 0.387 4.941 4.556 -0.003 0.000 0.290 675 H C -0.697 174.520 175.328 -0.185 0.000 1.082 675 H CA -0.907 55.031 56.048 -0.184 0.000 1.234 675 H CB 0.631 30.171 29.762 -0.370 0.000 1.387 675 H HN 0.654 nan 8.280 nan 0.000 0.476 676 I N 8.166 128.847 120.570 0.184 0.000 2.291 676 I HA 0.166 4.334 4.170 -0.004 0.000 0.292 676 I C -2.095 174.138 176.117 0.194 0.000 1.064 676 I CA -1.974 59.397 61.300 0.119 0.000 1.269 676 I CB 0.939 39.012 38.000 0.121 0.000 1.418 676 I HN 0.473 nan 8.210 nan 0.000 0.485 677 P HA -0.018 nan 4.420 nan 0.000 0.264 677 P C -1.121 176.264 177.300 0.142 0.000 1.179 677 P CA 0.529 63.624 63.100 -0.009 0.000 0.763 677 P CB 0.263 31.948 31.700 -0.025 0.000 0.806 678 H N -2.190 116.946 119.070 0.110 0.000 2.907 678 H HA 0.468 5.022 4.556 -0.004 0.000 0.361 678 H C 1.088 176.453 175.328 0.063 0.000 1.194 678 H CA -0.859 55.234 56.048 0.075 0.000 1.152 678 H CB 0.511 30.317 29.762 0.074 0.000 1.867 678 H HN 0.189 nan 8.280 nan 0.000 0.561 679 S N -0.041 115.740 115.700 0.134 0.000 2.402 679 S HA -0.255 4.213 4.470 -0.004 0.000 0.233 679 S C 1.208 175.837 174.600 0.049 0.000 1.030 679 S CA 1.648 59.883 58.200 0.059 0.000 1.003 679 S CB -0.527 62.696 63.200 0.038 0.000 0.813 679 S HN 0.716 nan 8.310 nan 0.000 0.477 680 E N 1.604 121.871 120.200 0.112 0.000 2.338 680 E HA -0.034 4.314 4.350 -0.004 0.000 0.197 680 E C 1.080 177.657 176.600 -0.039 0.000 1.007 680 E CA 0.920 57.368 56.400 0.081 0.000 0.849 680 E CB -0.306 29.526 29.700 0.221 0.000 0.774 680 E HN 0.545 nan 8.360 nan 0.000 0.506 681 D N -0.025 120.283 120.400 -0.154 0.000 2.371 681 D HA -0.043 4.595 4.640 -0.004 0.000 0.234 681 D C -0.071 176.199 176.300 -0.050 0.000 1.049 681 D CA 0.493 54.422 54.000 -0.117 0.000 0.907 681 D CB 0.221 40.952 40.800 -0.115 0.000 0.891 681 D HN 0.125 nan 8.370 nan 0.000 0.531 682 I N 2.107 122.665 120.570 -0.021 0.000 2.354 682 I HA 0.111 4.279 4.170 -0.004 0.000 0.292 682 I C -1.225 174.878 176.117 -0.025 0.000 0.989 682 I CA -2.136 59.182 61.300 0.029 0.000 1.188 682 I CB 1.659 39.724 38.000 0.107 0.000 1.342 682 I HN -0.252 nan 8.210 nan 0.000 0.457 683 P HA -0.003 nan 4.420 nan 0.000 0.225 683 P C 0.011 177.089 177.300 -0.369 0.000 1.156 683 P CA 0.823 63.839 63.100 -0.140 0.000 0.787 683 P CB 0.785 32.326 31.700 -0.265 0.000 0.802 684 N N -1.088 117.376 118.700 -0.394 0.000 2.262 684 N HA 0.217 4.955 4.740 -0.004 0.000 0.295 684 N C -0.774 174.635 175.510 -0.167 0.000 1.161 684 N CA -0.535 52.291 53.050 -0.375 0.000 0.767 684 N CB 1.729 39.971 38.487 -0.408 0.000 1.499 684 N HN -0.266 nan 8.380 nan 0.000 0.476 685 T N 1.390 115.893 114.554 -0.085 0.000 2.902 685 T HA 0.194 4.542 4.350 -0.004 0.000 0.301 685 T C 0.177 174.849 174.700 -0.047 0.000 1.012 685 T CA -0.165 61.929 62.100 -0.010 0.000 1.151 685 T CB 0.494 69.421 68.868 0.099 0.000 0.946 685 T HN 0.500 nan 8.240 nan 0.000 0.542 686 A N 2.867 125.663 122.820 -0.040 0.000 2.306 686 A HA 0.529 4.847 4.320 -0.004 0.000 0.314 686 A C 1.622 179.176 177.584 -0.050 0.000 1.164 686 A CA -0.461 51.551 52.037 -0.042 0.000 0.822 686 A CB 0.466 19.451 19.000 -0.026 0.000 1.130 686 A HN 0.931 nan 8.150 nan 0.000 0.496 687 T N -0.930 113.592 114.554 -0.054 0.000 2.951 687 T HA 0.046 4.393 4.350 -0.004 0.000 0.268 687 T C -1.481 173.186 174.700 -0.054 0.000 1.073 687 T CA 0.267 62.336 62.100 -0.051 0.000 1.134 687 T CB -1.480 67.347 68.868 -0.067 0.000 0.884 687 T HN 0.447 nan 8.240 nan 0.000 0.479 688 P HA 0.257 nan 4.420 nan 0.000 0.258 688 P C 1.070 178.318 177.300 -0.088 0.000 1.187 688 P CA 1.378 64.444 63.100 -0.058 0.000 0.767 688 P CB -0.227 31.445 31.700 -0.046 0.000 0.770 689 G N 3.293 112.029 108.800 -0.107 0.000 2.168 689 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.263 689 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.263 689 G C 0.538 175.262 174.900 -0.294 0.000 0.977 689 G CA -0.249 44.751 45.100 -0.168 0.000 0.659 689 G HN 0.560 nan 8.290 nan 0.000 0.533 690 N N 0.783 119.304 118.700 -0.299 0.000 2.635 690 N HA 0.381 5.119 4.740 -0.004 0.000 0.307 690 N C -0.089 175.159 175.510 -0.437 0.000 1.433 690 N CA 0.713 53.453 53.050 -0.518 0.000 0.973 690 N CB 0.798 39.087 38.487 -0.330 0.000 1.304 690 N HN 0.684 nan 8.380 nan 0.000 0.507 691 S N -1.288 114.170 115.700 -0.404 0.000 2.549 691 S HA 0.796 5.264 4.470 -0.004 0.000 0.280 691 S C -0.182 174.269 174.600 -0.249 0.000 1.109 691 S CA -0.731 57.264 58.200 -0.341 0.000 0.905 691 S CB 2.218 65.180 63.200 -0.396 0.000 1.081 691 S HN -0.038 nan 8.310 nan 0.000 0.477 692 V N -1.597 118.225 119.914 -0.154 0.000 3.167 692 V HA 1.089 5.207 4.120 -0.004 0.000 0.310 692 V C 0.321 176.409 176.094 -0.010 0.000 1.207 692 V CA 0.033 62.333 62.300 -0.000 0.000 1.059 692 V CB 1.072 32.987 31.823 0.154 0.000 1.079 692 V HN 1.827 nan 8.190 nan 0.000 0.446 693 G N 0.354 109.198 108.800 0.074 0.000 2.455 693 G HA2 0.589 4.547 3.960 -0.004 0.000 0.223 693 G HA3 0.589 4.547 3.960 -0.004 0.000 0.223 693 G C -1.451 173.461 174.900 0.019 0.000 1.226 693 G CA 0.113 45.195 45.100 -0.029 0.000 0.948 693 G HN 2.259 nan 8.290 nan 0.000 0.478 694 F N -1.461 118.318 119.950 -0.285 0.000 2.719 694 F HA 0.836 5.361 4.527 -0.002 0.000 0.309 694 F C -1.562 174.029 175.800 -0.348 0.000 1.138 694 F CA -1.444 56.334 58.000 -0.371 0.000 0.943 694 F CB 1.106 39.929 39.000 -0.296 0.000 1.304 694 F HN 0.497 nan 8.300 nan 0.000 0.445 695 L N 2.818 123.950 121.223 -0.152 0.000 2.334 695 L HA 0.630 4.968 4.340 -0.004 0.000 0.276 695 L C -0.871 176.038 176.870 0.065 0.000 1.014 695 L CA -0.894 53.876 54.840 -0.115 0.000 0.815 695 L CB 1.935 43.895 42.059 -0.164 0.000 1.268 695 L HN 0.605 nan 8.230 nan 0.000 0.428 696 L N 3.784 125.061 121.223 0.089 0.000 2.287 696 L HA 0.565 4.902 4.340 -0.004 0.000 0.287 696 L C -0.405 176.628 176.870 0.271 0.000 1.022 696 L CA -0.500 54.456 54.840 0.194 0.000 0.814 696 L CB 1.181 43.335 42.059 0.158 0.000 1.217 696 L HN 0.571 nan 8.230 nan 0.000 0.420 697 R N 3.680 124.302 120.500 0.203 0.000 2.534 697 R HA 0.470 4.808 4.340 -0.004 0.000 0.301 697 R C -2.628 173.431 176.300 -0.402 0.000 0.961 697 R CA -2.052 54.060 56.100 0.020 0.000 0.871 697 R CB 1.689 31.983 30.300 -0.010 0.000 1.170 697 R HN 0.260 nan 8.270 nan 0.000 0.446 698 P HA -0.050 nan 4.420 nan 0.000 0.265 698 P C -1.124 176.026 177.300 -0.251 0.000 1.193 698 P CA 0.251 62.733 63.100 -1.030 0.000 0.765 698 P CB 0.326 31.835 31.700 -0.318 0.000 0.823 699 F N 4.157 123.927 119.950 -0.300 0.000 2.716 699 F HA 0.302 4.827 4.527 -0.004 0.000 0.354 699 F C 0.269 176.073 175.800 0.006 0.000 1.168 699 F CA -0.443 57.515 58.000 -0.070 0.000 1.045 699 F CB 0.414 39.412 39.000 -0.004 0.000 1.311 699 F HN 0.262 nan 8.300 nan 0.000 0.477 700 N N 3.759 122.240 118.700 -0.366 0.000 2.681 700 N HA -0.333 4.405 4.740 -0.004 0.000 0.250 700 N C 0.761 176.240 175.510 -0.052 0.000 1.133 700 N CA 1.499 54.429 53.050 -0.201 0.000 0.732 700 N CB -1.701 36.637 38.487 -0.248 0.000 1.107 700 N HN 0.700 nan 8.380 nan 0.000 0.559 701 F N -0.367 119.455 119.950 -0.213 0.000 2.335 701 F HA 0.215 4.740 4.527 -0.004 0.000 0.296 701 F C 0.607 176.082 175.800 -0.543 0.000 1.091 701 F CA 0.703 58.477 58.000 -0.376 0.000 1.399 701 F CB 0.264 38.953 39.000 -0.518 0.000 1.067 701 F HN -0.031 nan 8.300 nan 0.000 0.520 702 F N -0.330 119.674 119.950 0.090 0.000 2.538 702 F HA 0.367 4.893 4.527 -0.002 0.000 0.325 702 F C -1.436 174.377 175.800 0.021 0.000 1.066 702 F CA -2.087 55.940 58.000 0.046 0.000 0.946 702 F CB 0.693 39.745 39.000 0.086 0.000 1.199 702 F HN -0.348 nan 8.300 nan 0.000 0.473 703 P HA -0.049 nan 4.420 nan 0.000 0.221 703 P C -0.832 176.657 177.300 0.316 0.000 1.150 703 P CA 1.106 64.311 63.100 0.175 0.000 0.800 703 P CB 0.207 31.945 31.700 0.063 0.000 0.787 704 E N -2.586 117.750 120.200 0.227 0.000 2.449 704 E HA 0.210 4.558 4.350 -0.004 0.000 0.278 704 E C -1.255 175.393 176.600 0.080 0.000 1.059 704 E CA -0.972 55.516 56.400 0.147 0.000 0.854 704 E CB -0.185 29.585 29.700 0.117 0.000 1.465 704 E HN -0.343 nan 8.360 nan 0.000 0.462 705 D N 1.990 122.400 120.400 0.018 0.000 2.536 705 D HA -0.017 4.621 4.640 -0.004 0.000 0.260 705 D C -1.183 175.056 176.300 -0.102 0.000 1.270 705 D CA -1.359 52.616 54.000 -0.041 0.000 0.934 705 D CB 0.816 41.595 40.800 -0.034 0.000 1.129 705 D HN 0.195 nan 8.370 nan 0.000 0.533 706 P HA -0.100 nan 4.420 nan 0.000 0.239 706 P C 0.840 178.069 177.300 -0.118 0.000 1.184 706 P CA 0.500 63.398 63.100 -0.336 0.000 0.760 706 P CB 0.024 31.134 31.700 -0.984 0.000 0.884 707 S N -1.346 114.307 115.700 -0.078 0.000 2.593 707 S HA 0.073 4.541 4.470 -0.004 0.000 0.217 707 S C 1.759 176.334 174.600 -0.042 0.000 0.966 707 S CA -0.146 58.048 58.200 -0.011 0.000 0.914 707 S CB -1.192 62.021 63.200 0.023 0.000 0.776 707 S HN 0.047 nan 8.310 nan 0.000 0.523 708 L N 0.987 122.170 121.223 -0.067 0.000 2.191 708 L HA 0.017 4.355 4.340 -0.004 0.000 0.212 708 L C 2.974 179.769 176.870 -0.124 0.000 1.103 708 L CA 1.034 55.816 54.840 -0.097 0.000 0.769 708 L CB -0.630 41.379 42.059 -0.084 0.000 0.908 708 L HN 0.516 nan 8.230 nan 0.000 0.438 709 A N -1.036 121.727 122.820 -0.094 0.000 2.125 709 A HA -0.137 4.181 4.320 -0.004 0.000 0.219 709 A C 1.557 179.075 177.584 -0.109 0.000 1.156 709 A CA 0.890 52.867 52.037 -0.101 0.000 0.671 709 A CB -0.392 18.559 19.000 -0.082 0.000 0.794 709 A HN 0.320 nan 8.150 nan 0.000 0.459 710 S N -0.221 115.423 115.700 -0.094 0.000 2.510 710 S HA 0.247 4.715 4.470 -0.004 0.000 0.279 710 S C 0.959 175.502 174.600 -0.095 0.000 1.284 710 S CA -0.628 57.530 58.200 -0.069 0.000 1.059 710 S CB 0.228 63.414 63.200 -0.024 0.000 0.901 710 S HN 0.384 nan 8.310 nan 0.000 0.491 711 R N 3.119 123.595 120.500 -0.040 0.000 2.310 711 R HA 0.111 4.448 4.340 -0.004 0.000 0.202 711 R C 0.645 177.030 176.300 0.141 0.000 0.933 711 R CA 0.134 56.249 56.100 0.025 0.000 1.054 711 R CB -0.580 29.778 30.300 0.097 0.000 0.985 711 R HN 0.655 nan 8.270 nan 0.000 0.489 712 D N 0.595 121.051 120.400 0.094 0.000 2.310 712 D HA -0.054 4.584 4.640 -0.004 0.000 0.212 712 D C 0.104 176.502 176.300 0.164 0.000 0.965 712 D CA 0.774 54.851 54.000 0.128 0.000 0.879 712 D CB 0.068 40.931 40.800 0.105 0.000 0.921 712 D HN 0.047 nan 8.370 nan 0.000 0.510 713 T N 0.601 115.237 114.554 0.137 0.000 2.932 713 T HA 0.204 4.552 4.350 -0.004 0.000 0.312 713 T C 0.282 175.200 174.700 0.363 0.000 1.071 713 T CA -0.028 62.164 62.100 0.154 0.000 1.128 713 T CB 1.747 70.599 68.868 -0.026 0.000 0.984 713 T HN -0.258 nan 8.240 nan 0.000 0.549 714 V N 4.182 124.265 119.914 0.282 0.000 2.577 714 V HA 0.487 4.605 4.120 -0.004 0.000 0.303 714 V C -0.359 175.851 176.094 0.194 0.000 1.042 714 V CA -0.746 61.714 62.300 0.268 0.000 0.872 714 V CB 1.681 33.626 31.823 0.203 0.000 0.998 714 V HN 0.731 nan 8.190 nan 0.000 0.423 715 I N 4.905 125.559 120.570 0.140 0.000 2.436 715 I HA 0.534 4.702 4.170 -0.004 0.000 0.289 715 I C -0.690 175.295 176.117 -0.219 0.000 1.010 715 I CA -0.952 60.301 61.300 -0.078 0.000 1.098 715 I CB 2.182 40.110 38.000 -0.120 0.000 1.266 715 I HN 0.244 nan 8.210 nan 0.000 0.434 716 V N 5.181 125.006 119.914 -0.148 0.000 2.427 716 V HA 0.344 4.462 4.120 -0.004 0.000 0.286 716 V C -0.913 175.085 176.094 -0.160 0.000 1.034 716 V CA -0.466 61.822 62.300 -0.020 0.000 0.893 716 V CB 1.235 33.195 31.823 0.229 0.000 0.982 716 V HN 0.588 nan 8.190 nan 0.000 0.452 717 W N 5.840 127.224 121.300 0.139 0.000 2.606 717 W HA 0.554 5.212 4.660 -0.004 0.000 0.332 717 W C -2.223 174.283 176.519 -0.021 0.000 1.052 717 W CA -2.303 55.064 57.345 0.036 0.000 1.223 717 W CB 1.397 30.925 29.460 0.113 0.000 1.383 717 W HN 0.307 nan 8.180 nan 0.000 0.524 718 P HA 0.276 nan 4.420 nan 0.000 0.275 718 P C -0.552 176.797 177.300 0.081 0.000 1.228 718 P CA -0.132 62.902 63.100 -0.109 0.000 0.786 718 P CB 1.150 32.600 31.700 -0.415 0.000 0.927 719 R N 2.217 122.788 120.500 0.119 0.000 2.604 719 R HA 0.227 4.565 4.340 -0.004 0.000 0.281 719 R C 0.040 176.393 176.300 0.088 0.000 1.020 719 R CA -0.554 55.604 56.100 0.096 0.000 0.899 719 R CB 1.238 31.604 30.300 0.110 0.000 1.205 719 R HN 0.333 nan 8.270 nan 0.000 0.450 720 D N 0.587 121.023 120.400 0.061 0.000 2.234 720 D HA -0.064 4.573 4.640 -0.004 0.000 0.205 720 D C 1.658 177.989 176.300 0.051 0.000 0.962 720 D CA 1.644 55.677 54.000 0.056 0.000 0.855 720 D CB 0.136 40.959 40.800 0.039 0.000 0.951 720 D HN 0.727 nan 8.370 nan 0.000 0.500 721 N N 0.260 118.988 118.700 0.046 0.000 2.319 721 N HA 0.312 5.050 4.740 -0.004 0.000 0.189 721 N C 1.368 176.904 175.510 0.043 0.000 1.042 721 N CA 1.112 54.185 53.050 0.037 0.000 0.879 721 N CB -0.577 37.925 38.487 0.026 0.000 1.052 721 N HN 0.260 nan 8.380 nan 0.000 0.446 722 G N -0.490 108.341 108.800 0.050 0.000 3.264 722 G HA2 0.598 4.556 3.960 -0.004 0.000 0.168 722 G HA3 0.598 4.556 3.960 -0.004 0.000 0.168 722 G C -2.516 172.427 174.900 0.073 0.000 1.145 722 G CA -0.110 45.021 45.100 0.052 0.000 0.855 722 G HN 0.436 nan 8.290 nan 0.000 0.629 723 P HA 0.181 nan 4.420 nan 0.000 0.268 723 P C -0.539 176.843 177.300 0.137 0.000 1.204 723 P CA -0.366 62.791 63.100 0.095 0.000 0.768 723 P CB 0.524 32.274 31.700 0.083 0.000 0.842 724 N N 1.334 120.136 118.700 0.169 0.000 2.374 724 N HA -0.081 4.656 4.740 -0.004 0.000 0.241 724 N C -0.177 175.498 175.510 0.274 0.000 1.262 724 N CA 0.142 53.335 53.050 0.239 0.000 0.880 724 N CB -0.020 38.642 38.487 0.292 0.000 1.105 724 N HN 0.469 nan 8.380 nan 0.000 0.438 725 Y N 1.714 122.125 120.300 0.185 0.000 2.613 725 Y HA 0.167 4.716 4.550 -0.003 0.000 0.354 725 Y C -0.274 175.754 175.900 0.213 0.000 1.063 725 Y CA -0.747 57.456 58.100 0.172 0.000 1.384 725 Y CB -0.188 38.373 38.460 0.170 0.000 1.199 725 Y HN 0.142 nan 8.280 nan 0.000 0.517 726 V N 7.925 127.830 119.914 -0.015 0.000 2.341 726 V HA -0.006 4.112 4.120 -0.004 0.000 0.248 726 V C 0.401 176.242 176.094 -0.421 0.000 1.107 726 V CA 0.013 62.230 62.300 -0.137 0.000 1.069 726 V CB -0.291 31.519 31.823 -0.021 0.000 1.177 726 V HN 0.708 nan 8.190 nan 0.000 0.492 727 Q N 5.811 125.217 119.800 -0.658 0.000 2.304 727 Q HA 0.450 4.788 4.340 -0.004 0.000 0.260 727 Q C -0.200 175.416 176.000 -0.640 0.000 0.965 727 Q CA -0.094 55.200 55.803 -0.848 0.000 0.898 727 Q CB 0.697 29.050 28.738 -0.642 0.000 1.196 727 Q HN 0.687 nan 8.270 nan 0.000 0.402 728 R N 2.813 122.838 120.500 -0.791 0.000 2.799 728 R HA 0.365 4.703 4.340 -0.004 0.000 0.270 728 R C -0.368 175.518 176.300 -0.691 0.000 1.010 728 R CA -0.602 55.200 56.100 -0.496 0.000 0.916 728 R CB 1.196 31.391 30.300 -0.175 0.000 1.228 728 R HN 0.799 nan 8.270 nan 0.000 0.469 729 W N 0.588 121.904 121.300 0.026 0.000 2.355 729 W HA 0.365 5.021 4.660 -0.006 0.000 0.303 729 W C -0.083 176.445 176.519 0.016 0.000 0.939 729 W CA 0.069 57.429 57.345 0.025 0.000 1.377 729 W CB 0.923 30.397 29.460 0.025 0.000 1.048 729 W HN 0.267 nan 8.180 nan 0.000 0.542 730 I N 2.723 123.411 120.570 0.196 0.000 2.569 730 I HA 0.266 4.434 4.170 -0.004 0.000 0.296 730 I C -1.892 174.256 176.117 0.051 0.000 1.028 730 I CA -2.001 59.358 61.300 0.098 0.000 1.082 730 I CB 2.214 40.267 38.000 0.087 0.000 1.264 730 I HN -0.482 nan 8.210 nan 0.000 0.429 731 P HA 0.039 nan 4.420 nan 0.000 0.271 731 P C -0.470 176.843 177.300 0.022 0.000 1.216 731 P CA -0.180 62.926 63.100 0.010 0.000 0.776 731 P CB 0.678 32.379 31.700 0.002 0.000 0.881 732 E N 1.932 122.148 120.200 0.028 0.000 2.529 732 E HA -0.056 4.291 4.350 -0.004 0.000 0.259 732 E C -0.508 176.123 176.600 0.052 0.000 0.966 732 E CA 0.372 56.798 56.400 0.042 0.000 0.937 732 E CB 0.242 29.964 29.700 0.037 0.000 0.923 732 E HN 0.375 nan 8.360 nan 0.000 0.468 733 D N 3.528 123.973 120.400 0.075 0.000 2.619 733 D HA 0.281 4.918 4.640 -0.004 0.000 0.241 733 D C -0.479 175.890 176.300 0.114 0.000 1.087 733 D CA -0.572 53.497 54.000 0.115 0.000 0.851 733 D CB 1.017 41.924 40.800 0.179 0.000 1.474 733 D HN 0.549 nan 8.370 nan 0.000 0.478 734 R N 1.936 122.501 120.500 0.107 0.000 2.582 734 R HA 0.185 4.523 4.340 -0.004 0.000 0.453 734 R C -0.812 175.521 176.300 0.056 0.000 0.969 734 R CA -0.565 55.578 56.100 0.072 0.000 1.113 734 R CB 0.736 31.066 30.300 0.051 0.000 1.507 734 R HN 0.279 nan 8.270 nan 0.000 0.587 735 D N 0.439 120.880 120.400 0.067 0.000 2.382 735 D HA 0.090 4.728 4.640 -0.004 0.000 0.240 735 D C -0.192 176.083 176.300 -0.042 0.000 1.146 735 D CA 0.207 54.209 54.000 0.002 0.000 0.897 735 D CB 0.896 41.663 40.800 -0.055 0.000 1.197 735 D HN 0.087 nan 8.370 nan 0.000 0.432 736 C N 1.215 120.490 119.300 -0.041 0.000 2.411 736 C HA 0.781 5.239 4.460 -0.004 0.000 0.330 736 C C 0.283 175.242 174.990 -0.053 0.000 1.224 736 C CA -0.341 58.655 59.018 -0.036 0.000 1.770 736 C CB 0.335 28.067 27.740 -0.014 0.000 2.297 736 C HN 0.744 nan 8.230 nan 0.000 0.507 737 S N 2.950 118.623 115.700 -0.045 0.000 2.705 737 S HA 0.807 5.275 4.470 -0.004 0.000 0.280 737 S C -1.186 173.405 174.600 -0.014 0.000 1.174 737 S CA -0.716 57.462 58.200 -0.035 0.000 0.823 737 S CB 1.472 64.639 63.200 -0.054 0.000 1.162 737 S HN 0.757 nan 8.310 nan 0.000 0.487 738 M N 1.964 121.562 119.600 -0.003 0.000 2.326 738 M HA 0.520 4.997 4.480 -0.004 0.000 0.292 738 M C -2.773 173.539 176.300 0.020 0.000 1.081 738 M CA -1.690 53.616 55.300 0.009 0.000 0.919 738 M CB 2.144 34.750 32.600 0.009 0.000 1.634 738 M HN 0.738 nan 8.290 nan 0.000 0.451 739 P HA 0.419 nan 4.420 nan 0.000 0.274 739 P C -2.788 174.540 177.300 0.047 0.000 1.237 739 P CA -0.819 62.309 63.100 0.048 0.000 0.793 739 P CB -0.485 31.252 31.700 0.061 0.000 0.977 740 P HA 0.252 nan 4.420 nan 0.000 0.272 740 P C -2.465 174.860 177.300 0.042 0.000 1.223 740 P CA -1.036 62.085 63.100 0.036 0.000 0.784 740 P CB -1.035 30.681 31.700 0.028 0.000 0.923 741 P HA 0.163 nan 4.420 nan 0.000 0.272 741 P C -0.220 177.125 177.300 0.074 0.000 1.223 741 P CA -0.347 62.791 63.100 0.063 0.000 0.784 741 P CB 0.148 31.876 31.700 0.046 0.000 0.923 742 F N 2.137 122.076 119.950 -0.017 0.000 2.629 742 F HA 0.237 4.759 4.527 -0.009 0.000 0.369 742 F C 0.515 176.303 175.800 -0.020 0.000 1.125 742 F CA 1.090 59.076 58.000 -0.023 0.000 1.330 742 F CB 0.205 39.196 39.000 -0.015 0.000 1.071 742 F HN 0.430 nan 8.300 nan 0.000 0.595 743 S N 5.060 120.199 115.700 -0.935 0.000 2.570 743 S HA 0.607 5.075 4.470 -0.004 0.000 0.270 743 S C -1.712 172.394 174.600 -0.823 0.000 1.149 743 S CA -0.789 56.990 58.200 -0.702 0.000 0.837 743 S CB 1.717 64.716 63.200 -0.334 0.000 1.124 743 S HN 0.838 nan 8.310 nan 0.000 0.465 744 Y N 1.789 121.753 120.300 -0.559 0.000 2.313 744 Y HA 0.406 4.952 4.550 -0.006 0.000 0.320 744 Y C 0.433 176.225 175.900 -0.181 0.000 1.171 744 Y CA -0.628 57.251 58.100 -0.369 0.000 1.093 744 Y CB 1.476 39.767 38.460 -0.281 0.000 1.224 744 Y HN 0.872 nan 8.280 nan 0.000 0.421 745 N N 2.903 121.383 118.700 -0.366 0.000 2.148 745 N HA -0.008 4.730 4.740 -0.004 0.000 0.186 745 N C 1.537 177.012 175.510 -0.057 0.000 1.031 745 N CA 2.091 55.036 53.050 -0.175 0.000 0.848 745 N CB 0.107 38.484 38.487 -0.184 0.000 1.005 745 N HN 1.158 nan 8.380 nan 0.000 0.427 746 G N -0.032 108.677 108.800 -0.153 0.000 2.205 746 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.261 746 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.261 746 G C 0.337 175.286 174.900 0.080 0.000 0.980 746 G CA 1.267 46.450 45.100 0.138 0.000 0.632 746 G HN 0.739 nan 8.290 nan 0.000 0.533 747 T N -1.571 112.972 114.554 -0.018 0.000 2.952 747 T HA 0.709 5.057 4.350 -0.004 0.000 0.286 747 T C -0.447 174.214 174.700 -0.066 0.000 1.024 747 T CA -0.224 61.802 62.100 -0.123 0.000 1.029 747 T CB 2.017 70.790 68.868 -0.159 0.000 1.094 747 T HN 1.397 nan 8.240 nan 0.000 0.515 748 Y N -0.920 119.280 120.300 -0.166 0.000 2.441 748 Y HA 0.646 5.193 4.550 -0.004 0.000 0.345 748 Y C -0.473 175.301 175.900 -0.211 0.000 1.129 748 Y CA -1.305 56.597 58.100 -0.329 0.000 1.333 748 Y CB 0.626 38.679 38.460 -0.677 0.000 1.104 748 Y HN 0.526 nan 8.280 nan 0.000 0.551 749 R N 1.375 121.834 120.500 -0.068 0.000 2.939 749 R HA 0.631 4.969 4.340 -0.004 0.000 0.254 749 R C -2.923 173.437 176.300 0.101 0.000 1.123 749 R CA -2.161 53.931 56.100 -0.015 0.000 1.020 749 R CB 1.455 31.728 30.300 -0.045 0.000 1.206 749 R HN 0.291 nan 8.270 nan 0.000 0.491 750 P HA 0.167 nan 4.420 nan 0.000 0.272 750 P C -0.502 176.911 177.300 0.188 0.000 1.240 750 P CA -0.263 62.965 63.100 0.213 0.000 0.791 750 P CB 0.644 32.432 31.700 0.147 0.000 0.978 751 V N 0.000 120.065 119.914 0.252 0.000 2.409 751 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 751 V CA 0.000 62.391 62.300 0.151 0.000 1.235 751 V CB 0.000 31.950 31.823 0.212 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556