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 2w0q_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLDSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK D 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.352 175.328 0.041 0.000 0.993 6 H CA 0.000 56.054 56.048 0.010 0.000 1.023 6 H CB 0.000 29.771 29.762 0.015 0.000 1.292 7 M N 1.098 120.550 119.600 -0.247 0.000 2.371 7 M HA 0.566 5.047 4.480 0.001 0.000 0.301 7 M C -0.045 176.191 176.300 -0.108 0.000 1.173 7 M CA -0.992 54.226 55.300 -0.136 0.000 1.020 7 M CB 1.319 33.926 32.600 0.012 0.000 1.490 7 M HN 0.341 nan 8.290 nan 0.000 0.485 8 V N 2.021 122.013 119.914 0.130 0.000 3.077 8 V HA 0.454 4.575 4.120 0.001 0.000 0.299 8 V C -2.469 173.543 176.094 -0.136 0.000 1.276 8 V CA -1.449 60.877 62.300 0.043 0.000 0.993 8 V CB 3.218 34.975 31.823 -0.110 0.000 1.076 8 V HN 0.659 nan 8.190 nan 0.000 0.434 9 P HA 0.193 nan 4.420 nan 0.000 0.282 9 P C 0.587 177.557 177.300 -0.549 0.000 1.274 9 P CA -0.082 62.471 63.100 -0.912 0.000 0.770 9 P CB 1.070 32.215 31.700 -0.925 0.000 0.867 10 M N 3.753 123.010 119.600 -0.572 0.000 2.115 10 M HA -0.239 4.242 4.480 0.001 0.000 0.258 10 M C 1.623 177.706 176.300 -0.361 0.000 1.071 10 M CA 2.091 57.099 55.300 -0.486 0.000 1.100 10 M CB -0.802 31.422 32.600 -0.626 0.000 1.292 10 M HN 0.222 nan 8.290 nan 0.000 0.415 11 D N -0.026 120.174 120.400 -0.334 0.000 2.106 11 D HA -0.228 4.413 4.640 0.001 0.000 0.191 11 D C 1.980 178.189 176.300 -0.152 0.000 0.997 11 D CA 1.786 55.667 54.000 -0.199 0.000 0.834 11 D CB -0.132 40.577 40.800 -0.152 0.000 0.956 11 D HN 0.422 nan 8.370 nan 0.000 0.448 12 K N -0.323 119.967 120.400 -0.183 0.000 2.026 12 K HA -0.102 4.219 4.320 0.001 0.000 0.208 12 K C 2.113 178.655 176.600 -0.097 0.000 1.048 12 K CA 1.722 57.931 56.287 -0.131 0.000 0.929 12 K CB -0.062 32.348 32.500 -0.150 0.000 0.713 12 K HN 0.060 nan 8.250 nan 0.000 0.439 13 T N 1.582 116.061 114.554 -0.125 0.000 2.684 13 T HA -0.167 4.184 4.350 0.001 0.000 0.267 13 T C 1.791 176.483 174.700 -0.013 0.000 1.036 13 T CA 1.494 63.550 62.100 -0.073 0.000 1.148 13 T CB -0.278 68.527 68.868 -0.105 0.000 0.863 13 T HN 0.136 nan 8.240 nan 0.000 0.436 14 L N 0.133 121.337 121.223 -0.032 0.000 2.141 14 L HA -0.024 4.317 4.340 0.001 0.000 0.209 14 L C 2.665 179.570 176.870 0.058 0.000 1.094 14 L CA 1.224 56.090 54.840 0.044 0.000 0.763 14 L CB -0.402 41.669 42.059 0.019 0.000 0.908 14 L HN 0.206 nan 8.230 nan 0.000 0.437 15 K N -0.327 120.076 120.400 0.005 0.000 2.103 15 K HA -0.113 4.208 4.320 0.001 0.000 0.204 15 K C 2.065 178.663 176.600 -0.003 0.000 1.052 15 K CA 0.830 57.114 56.287 -0.005 0.000 0.945 15 K CB 0.064 32.554 32.500 -0.017 0.000 0.722 15 K HN 0.243 nan 8.250 nan 0.000 0.443 16 E N 0.320 120.527 120.200 0.013 0.000 2.077 16 E HA -0.209 4.142 4.350 0.001 0.000 0.193 16 E C 1.798 178.426 176.600 0.045 0.000 0.989 16 E CA 0.997 57.410 56.400 0.022 0.000 0.800 16 E CB -0.254 29.464 29.700 0.031 0.000 0.746 16 E HN 0.280 nan 8.360 nan 0.000 0.452 17 F N 0.920 120.813 119.950 -0.095 0.000 2.546 17 F HA 0.037 4.565 4.527 0.001 0.000 0.298 17 F C 1.419 177.135 175.800 -0.140 0.000 1.120 17 F CA 1.428 59.352 58.000 -0.127 0.000 1.456 17 F CB 0.081 38.977 39.000 -0.172 0.000 1.088 17 F HN 0.154 nan 8.300 nan 0.000 0.572 18 G N 0.041 108.708 108.800 -0.221 0.000 2.157 18 G HA2 -0.099 3.861 3.960 0.001 0.000 0.239 18 G HA3 -0.099 3.861 3.960 0.001 0.000 0.239 18 G C 0.318 175.087 174.900 -0.218 0.000 0.982 18 G CA 0.006 44.948 45.100 -0.263 0.000 0.650 18 G HN 0.843 nan 8.290 nan 0.000 0.527 19 A N -0.125 122.611 122.820 -0.141 0.000 2.316 19 A HA 0.626 4.947 4.320 0.001 0.000 0.284 19 A C 0.131 177.722 177.584 0.013 0.000 1.115 19 A CA 0.423 52.427 52.037 -0.056 0.000 0.812 19 A CB 0.661 19.655 19.000 -0.011 0.000 1.064 19 A HN 0.476 nan 8.150 nan 0.000 0.489 20 D N 0.627 121.054 120.400 0.044 0.000 2.302 20 D HA 0.428 5.069 4.640 0.001 0.000 0.248 20 D C -0.795 175.562 176.300 0.096 0.000 1.094 20 D CA 0.283 54.319 54.000 0.060 0.000 0.897 20 D CB 1.005 41.842 40.800 0.062 0.000 1.200 20 D HN 0.161 nan 8.370 nan 0.000 0.429 21 V N 4.063 124.039 119.914 0.103 0.000 2.409 21 V HA 0.331 4.452 4.120 0.001 0.000 0.290 21 V C -0.540 175.678 176.094 0.207 0.000 1.017 21 V CA -0.752 61.644 62.300 0.160 0.000 0.841 21 V CB 1.276 33.176 31.823 0.129 0.000 1.003 21 V HN 0.513 nan 8.190 nan 0.000 0.426 22 Q N 4.184 124.132 119.800 0.246 0.000 2.316 22 Q HA 0.451 4.792 4.340 0.001 0.000 0.264 22 Q C -1.024 175.165 176.000 0.315 0.000 0.987 22 Q CA -0.269 55.667 55.803 0.221 0.000 0.852 22 Q CB 2.787 31.597 28.738 0.119 0.000 1.287 22 Q HN 0.848 nan 8.270 nan 0.000 0.448 23 W N 3.862 125.173 121.300 0.018 0.000 2.475 23 W HA 0.361 5.022 4.660 0.002 0.000 0.317 23 W C -1.362 175.061 176.519 -0.160 0.000 1.046 23 W CA -0.603 56.611 57.345 -0.218 0.000 1.215 23 W CB 1.468 30.774 29.460 -0.256 0.000 1.335 23 W HN 0.619 nan 8.180 nan 0.000 0.471 24 D N 4.433 124.182 120.400 -1.085 0.000 2.460 24 D HA 0.054 4.695 4.640 0.001 0.000 0.232 24 D C 0.511 176.041 176.300 -1.283 0.000 1.079 24 D CA -0.034 53.450 54.000 -0.859 0.000 0.864 24 D CB 1.216 41.741 40.800 -0.458 0.000 1.048 24 D HN 0.534 nan 8.370 nan 0.000 0.523 25 D N 2.286 122.136 120.400 -0.917 0.000 2.144 25 D HA -0.245 4.396 4.640 0.001 0.000 0.199 25 D C 1.485 177.617 176.300 -0.281 0.000 0.984 25 D CA 1.097 54.766 54.000 -0.552 0.000 0.834 25 D CB 0.033 40.779 40.800 -0.090 0.000 0.955 25 D HN 0.522 nan 8.370 nan 0.000 0.465 26 Y N 0.294 120.410 120.300 -0.308 0.000 2.220 26 Y HA 0.040 4.591 4.550 0.001 0.000 0.291 26 Y C 1.895 177.674 175.900 -0.203 0.000 1.129 26 Y CA 1.650 59.635 58.100 -0.192 0.000 1.161 26 Y CB -0.251 38.122 38.460 -0.145 0.000 0.997 26 Y HN 0.018 nan 8.280 nan 0.000 0.522 27 A N -0.912 121.740 122.820 -0.279 0.000 2.238 27 A HA 0.095 4.416 4.320 0.001 0.000 0.210 27 A C 0.607 177.993 177.584 -0.330 0.000 1.179 27 A CA 0.464 52.318 52.037 -0.304 0.000 0.827 27 A CB -0.061 18.849 19.000 -0.150 0.000 0.856 27 A HN 0.475 nan 8.150 nan 0.000 0.488 28 Q N -1.965 117.544 119.800 -0.486 0.000 2.470 28 Q HA -0.195 4.146 4.340 0.001 0.000 0.294 28 Q C -0.830 174.962 176.000 -0.347 0.000 1.356 28 Q CA 0.929 56.486 55.803 -0.410 0.000 0.805 28 Q CB -2.032 26.665 28.738 -0.069 0.000 1.157 28 Q HN 0.605 nan 8.270 nan 0.000 0.431 29 L N -0.238 120.579 121.223 -0.678 0.000 2.436 29 L HA 0.636 4.977 4.340 0.001 0.000 0.268 29 L C -1.007 175.724 176.870 -0.232 0.000 0.974 29 L CA -0.509 54.181 54.840 -0.249 0.000 0.826 29 L CB 1.249 43.217 42.059 -0.152 0.000 1.291 29 L HN 0.017 nan 8.230 nan 0.000 0.406 30 F N 2.397 122.493 119.950 0.243 0.000 2.396 30 F HA 0.548 5.076 4.527 0.002 0.000 0.343 30 F C 0.624 176.477 175.800 0.089 0.000 1.104 30 F CA -0.101 58.045 58.000 0.244 0.000 1.161 30 F CB 1.758 40.914 39.000 0.260 0.000 1.146 30 F HN 0.364 nan 8.300 nan 0.000 0.522 31 T N 5.557 120.256 114.554 0.241 0.000 2.809 31 T HA 0.575 4.926 4.350 0.001 0.000 0.296 31 T C -0.431 174.304 174.700 0.058 0.000 1.015 31 T CA -0.558 61.559 62.100 0.028 0.000 0.954 31 T CB 0.311 69.136 68.868 -0.072 0.000 0.950 31 T HN 0.280 nan 8.240 nan 0.000 0.450 32 L N 4.530 125.776 121.223 0.039 0.000 2.322 32 L HA 0.701 5.042 4.340 0.001 0.000 0.281 32 L C -0.488 176.454 176.870 0.120 0.000 1.014 32 L CA -0.966 53.969 54.840 0.157 0.000 0.815 32 L CB 1.489 43.748 42.059 0.333 0.000 1.247 32 L HN 0.491 nan 8.230 nan 0.000 0.421 33 I N 3.352 124.024 120.570 0.170 0.000 2.499 33 I HA 0.458 4.629 4.170 0.001 0.000 0.288 33 I C -0.614 175.629 176.117 0.210 0.000 1.048 33 I CA -0.518 60.886 61.300 0.174 0.000 1.062 33 I CB 2.235 40.303 38.000 0.114 0.000 1.238 33 I HN 0.564 nan 8.210 nan 0.000 0.426 34 K N 5.933 126.500 120.400 0.277 0.000 2.589 34 K HA 0.253 4.574 4.320 0.001 0.000 0.253 34 K C -1.008 175.715 176.600 0.204 0.000 0.974 34 K CA -0.398 55.980 56.287 0.151 0.000 0.835 34 K CB 1.287 33.775 32.500 -0.020 0.000 1.272 34 K HN 0.715 nan 8.250 nan 0.000 0.444 35 D N 1.791 122.286 120.400 0.159 0.000 3.771 35 D HA -0.256 4.385 4.640 0.001 0.000 0.145 35 D C 0.866 177.316 176.300 0.250 0.000 0.892 35 D CA 2.140 56.270 54.000 0.216 0.000 1.080 35 D CB -0.915 40.033 40.800 0.246 0.000 0.498 35 D HN 0.800 nan 8.370 nan 0.000 0.499 36 G N 0.283 109.253 108.800 0.284 0.000 3.088 36 G HA2 0.411 4.372 3.960 0.001 0.000 0.212 36 G HA3 0.411 4.372 3.960 0.001 0.000 0.212 36 G C 0.178 175.206 174.900 0.213 0.000 1.173 36 G CA 0.911 46.137 45.100 0.210 0.000 0.779 36 G HN 0.612 nan 8.290 nan 0.000 0.540 37 A N 0.193 123.178 122.820 0.275 0.000 2.271 37 A HA 0.638 4.959 4.320 0.001 0.000 0.317 37 A C -1.646 176.113 177.584 0.292 0.000 1.245 37 A CA -0.721 51.474 52.037 0.263 0.000 0.857 37 A CB 0.819 20.014 19.000 0.325 0.000 1.175 37 A HN 0.274 nan 8.150 nan 0.000 0.512 38 Y N 3.242 123.601 120.300 0.099 0.000 2.388 38 Y HA 0.534 5.085 4.550 0.001 0.000 0.328 38 Y C -1.000 174.928 175.900 0.047 0.000 0.963 38 Y CA -0.542 57.613 58.100 0.093 0.000 1.240 38 Y CB 1.368 39.870 38.460 0.071 0.000 1.118 38 Y HN 0.429 nan 8.280 nan 0.000 0.484 39 V N 6.760 126.563 119.914 -0.185 0.000 2.495 39 V HA 0.456 4.577 4.120 0.001 0.000 0.298 39 V C -0.753 175.278 176.094 -0.106 0.000 1.031 39 V CA -1.052 61.174 62.300 -0.123 0.000 0.871 39 V CB 1.749 33.456 31.823 -0.193 0.000 0.988 39 V HN 0.607 nan 8.190 nan 0.000 0.432 40 K N 3.302 123.703 120.400 0.002 0.000 2.244 40 K HA 0.813 5.134 4.320 0.001 0.000 0.260 40 K C -1.407 175.262 176.600 0.114 0.000 0.951 40 K CA -0.696 55.630 56.287 0.064 0.000 0.826 40 K CB 2.593 35.150 32.500 0.095 0.000 1.108 40 K HN 0.415 nan 8.250 nan 0.000 0.433 41 V N 3.116 123.149 119.914 0.199 0.000 2.777 41 V HA 0.311 4.432 4.120 0.001 0.000 0.306 41 V C -1.650 174.631 176.094 0.312 0.000 1.112 41 V CA -0.814 61.628 62.300 0.237 0.000 0.917 41 V CB 1.925 33.912 31.823 0.273 0.000 1.018 41 V HN 0.670 nan 8.190 nan 0.000 0.426 42 K N 7.126 127.666 120.400 0.234 0.000 2.156 42 K HA 0.562 4.883 4.320 0.001 0.000 0.271 42 K C -2.654 174.098 176.600 0.252 0.000 0.995 42 K CA -1.730 54.699 56.287 0.237 0.000 0.890 42 K CB 1.486 34.068 32.500 0.136 0.000 1.073 42 K HN 0.443 nan 8.250 nan 0.000 0.454 43 P HA -0.054 nan 4.420 nan 0.000 0.266 43 P C 0.730 178.116 177.300 0.144 0.000 1.195 43 P CA 0.694 63.928 63.100 0.223 0.000 0.768 43 P CB 0.655 32.482 31.700 0.212 0.000 0.838 44 G N 1.600 110.464 108.800 0.106 0.000 2.328 44 G HA2 -0.278 3.683 3.960 0.001 0.000 0.256 44 G HA3 -0.278 3.683 3.960 0.001 0.000 0.256 44 G C 0.502 175.446 174.900 0.074 0.000 1.014 44 G CA 0.167 45.313 45.100 0.077 0.000 0.620 44 G HN 0.886 nan 8.290 nan 0.000 0.530 45 A N 0.212 123.086 122.820 0.090 0.000 2.477 45 A HA 0.591 4.912 4.320 0.001 0.000 0.246 45 A C 1.188 178.815 177.584 0.073 0.000 1.078 45 A CA 1.012 53.095 52.037 0.077 0.000 0.770 45 A CB 0.295 19.346 19.000 0.084 0.000 1.011 45 A HN 0.462 nan 8.150 nan 0.000 0.494 46 Q N 0.196 120.028 119.800 0.054 0.000 2.451 46 Q HA 0.003 4.343 4.340 0.001 0.000 0.206 46 Q C 0.611 176.637 176.000 0.043 0.000 0.947 46 Q CA 1.161 56.992 55.803 0.047 0.000 0.937 46 Q CB 0.103 28.861 28.738 0.034 0.000 1.025 46 Q HN 0.949 nan 8.270 nan 0.000 0.511 47 T N -3.023 111.559 114.554 0.045 0.000 2.930 47 T HA 0.790 5.141 4.350 0.001 0.000 0.290 47 T C -0.742 173.987 174.700 0.049 0.000 1.052 47 T CA -0.730 61.392 62.100 0.036 0.000 1.017 47 T CB 2.360 71.242 68.868 0.023 0.000 1.137 47 T HN 0.053 nan 8.240 nan 0.000 0.511 48 A N 1.453 124.290 122.820 0.028 0.000 2.485 48 A HA 0.798 5.119 4.320 0.001 0.000 0.292 48 A C -1.094 176.495 177.584 0.008 0.000 1.147 48 A CA -1.006 51.050 52.037 0.031 0.000 0.750 48 A CB 1.243 20.250 19.000 0.013 0.000 1.331 48 A HN 0.777 nan 8.150 nan 0.000 0.419 49 I N 1.290 121.871 120.570 0.019 0.000 2.378 49 I HA 0.457 4.628 4.170 0.001 0.000 0.291 49 I C -0.714 175.407 176.117 0.007 0.000 0.992 49 I CA -0.659 60.656 61.300 0.024 0.000 1.154 49 I CB 1.004 39.041 38.000 0.062 0.000 1.315 49 I HN 0.232 nan 8.210 nan 0.000 0.448 50 V N 6.142 126.050 119.914 -0.009 0.000 2.376 50 V HA 0.358 4.479 4.120 0.001 0.000 0.287 50 V C 0.434 176.546 176.094 0.030 0.000 1.015 50 V CA -0.839 61.447 62.300 -0.023 0.000 0.834 50 V CB 0.885 32.649 31.823 -0.099 0.000 1.001 50 V HN 0.894 nan 8.190 nan 0.000 0.428 51 N N 4.087 122.844 118.700 0.096 0.000 2.725 51 N HA -0.245 4.496 4.740 0.001 0.000 0.251 51 N C 1.164 176.703 175.510 0.048 0.000 1.031 51 N CA 0.475 53.576 53.050 0.086 0.000 0.720 51 N CB -0.646 37.874 38.487 0.055 0.000 0.930 51 N HN 1.366 nan 8.380 nan 0.000 0.543 52 G N -1.269 107.567 108.800 0.060 0.000 2.184 52 G HA2 -0.335 3.626 3.960 0.001 0.000 0.264 52 G HA3 -0.335 3.626 3.960 0.001 0.000 0.264 52 G C -0.146 174.767 174.900 0.022 0.000 0.975 52 G CA 0.448 45.568 45.100 0.034 0.000 0.642 52 G HN 0.413 nan 8.290 nan 0.000 0.536 53 Q N 0.835 120.645 119.800 0.018 0.000 2.282 53 Q HA 0.489 4.830 4.340 0.001 0.000 0.260 53 Q C -2.408 173.593 176.000 0.001 0.000 0.964 53 Q CA -2.020 53.787 55.803 0.006 0.000 0.880 53 Q CB 2.443 31.181 28.738 -0.001 0.000 1.286 53 Q HN 0.338 nan 8.270 nan 0.000 0.445 54 P HA 0.288 nan 4.420 nan 0.000 0.277 54 P C -0.880 176.411 177.300 -0.014 0.000 1.240 54 P CA -0.560 62.539 63.100 -0.001 0.000 0.798 54 P CB 0.940 32.642 31.700 0.004 0.000 0.979 55 L N 1.758 122.968 121.223 -0.022 0.000 2.464 55 L HA 0.710 5.051 4.340 0.001 0.000 0.266 55 L C -0.966 175.888 176.870 -0.027 0.000 0.965 55 L CA -0.880 53.938 54.840 -0.038 0.000 0.833 55 L CB 1.825 43.840 42.059 -0.074 0.000 1.296 55 L HN 0.448 nan 8.230 nan 0.000 0.405 56 A N 5.577 128.384 122.820 -0.022 0.000 2.401 56 A HA 0.644 4.965 4.320 0.001 0.000 0.259 56 A C -0.633 176.942 177.584 -0.015 0.000 1.103 56 A CA -0.327 51.705 52.037 -0.010 0.000 0.789 56 A CB 0.003 19.000 19.000 -0.005 0.000 1.035 56 A HN 0.758 nan 8.150 nan 0.000 0.491 57 L N 2.137 123.364 121.223 0.006 0.000 2.334 57 L HA 0.302 4.643 4.340 0.001 0.000 0.275 57 L C 1.300 178.187 176.870 0.028 0.000 1.036 57 L CA -0.429 54.423 54.840 0.020 0.000 0.807 57 L CB 1.340 43.441 42.059 0.070 0.000 1.231 57 L HN 0.966 nan 8.230 nan 0.000 0.438 58 Q N 1.077 120.895 119.800 0.029 0.000 2.033 58 Q HA 0.033 4.374 4.340 0.001 0.000 0.196 58 Q C -0.164 175.861 176.000 0.042 0.000 0.970 58 Q CA 0.905 56.726 55.803 0.030 0.000 0.828 58 Q CB 0.424 29.177 28.738 0.025 0.000 0.895 58 Q HN 0.501 nan 8.270 nan 0.000 0.440 59 V N 3.312 123.263 119.914 0.062 0.000 2.370 59 V HA 0.294 4.415 4.120 0.001 0.000 0.279 59 V C -2.137 174.013 176.094 0.094 0.000 1.029 59 V CA -1.768 60.571 62.300 0.066 0.000 0.870 59 V CB 0.907 32.767 31.823 0.062 0.000 0.984 59 V HN 0.245 nan 8.190 nan 0.000 0.451 60 P HA 0.165 nan 4.420 nan 0.000 0.272 60 P C -0.289 177.050 177.300 0.065 0.000 1.240 60 P CA -0.195 62.958 63.100 0.087 0.000 0.791 60 P CB 0.782 32.523 31.700 0.069 0.000 0.978 61 V N 1.656 121.605 119.914 0.059 0.000 2.529 61 V HA 0.023 4.143 4.120 0.001 0.000 0.292 61 V C 0.666 176.782 176.094 0.037 0.000 1.028 61 V CA 0.102 62.387 62.300 -0.026 0.000 1.074 61 V CB 0.725 32.519 31.823 -0.048 0.000 0.958 61 V HN 0.213 nan 8.190 nan 0.000 0.481 62 V N 6.646 126.582 119.914 0.036 0.000 2.435 62 V HA 0.432 4.553 4.120 0.001 0.000 0.290 62 V C 0.046 176.207 176.094 0.111 0.000 1.030 62 V CA -0.615 61.728 62.300 0.071 0.000 0.881 62 V CB 1.626 33.481 31.823 0.055 0.000 0.983 62 V HN 0.853 nan 8.190 nan 0.000 0.445 63 M N 5.538 125.186 119.600 0.080 0.000 2.088 63 M HA 0.426 4.907 4.480 0.001 0.000 0.346 63 M C -0.469 175.874 176.300 0.071 0.000 1.111 63 M CA 0.176 55.517 55.300 0.069 0.000 1.017 63 M CB 0.536 33.144 32.600 0.015 0.000 1.568 63 M HN 0.445 nan 8.290 nan 0.000 0.445 64 K N 3.826 124.304 120.400 0.130 0.000 2.559 64 K HA 0.293 4.614 4.320 0.001 0.000 0.249 64 K C -1.162 175.496 176.600 0.096 0.000 0.958 64 K CA -0.333 55.998 56.287 0.073 0.000 0.901 64 K CB 0.927 33.412 32.500 -0.024 0.000 1.124 64 K HN 0.711 nan 8.250 nan 0.000 0.437 65 D N 2.662 123.089 120.400 0.046 0.000 2.705 65 D HA -0.199 4.441 4.640 0.001 0.000 0.240 65 D C -0.072 176.245 176.300 0.028 0.000 1.137 65 D CA 1.083 55.106 54.000 0.037 0.000 0.677 65 D CB -1.201 39.627 40.800 0.046 0.000 1.049 65 D HN 0.873 nan 8.370 nan 0.000 0.427 66 N N -1.539 117.162 118.700 0.001 0.000 2.696 66 N HA -0.337 4.403 4.740 0.001 0.000 0.254 66 N C -0.556 174.908 175.510 -0.076 0.000 0.988 66 N CA 1.059 54.071 53.050 -0.064 0.000 0.775 66 N CB -0.695 37.752 38.487 -0.066 0.000 0.933 66 N HN 0.544 nan 8.380 nan 0.000 0.539 67 K N 0.126 120.525 120.400 -0.002 0.000 2.182 67 K HA 0.617 4.938 4.320 0.001 0.000 0.262 67 K C -0.133 176.438 176.600 -0.048 0.000 0.957 67 K CA -0.449 55.805 56.287 -0.054 0.000 0.842 67 K CB 1.697 34.210 32.500 0.022 0.000 1.099 67 K HN 0.342 nan 8.250 nan 0.000 0.438 68 A N 3.129 125.815 122.820 -0.224 0.000 2.309 68 A HA 0.494 4.815 4.320 0.001 0.000 0.298 68 A C -1.521 175.803 177.584 -0.435 0.000 1.165 68 A CA -0.385 51.533 52.037 -0.197 0.000 0.821 68 A CB 0.189 19.065 19.000 -0.207 0.000 1.102 68 A HN 0.681 nan 8.150 nan 0.000 0.500 69 W N 0.957 122.132 121.300 -0.208 0.000 2.819 69 W HA 0.546 5.207 4.660 0.001 0.000 0.337 69 W C -0.370 175.980 176.519 -0.280 0.000 1.077 69 W CA -0.495 56.720 57.345 -0.217 0.000 1.226 69 W CB 2.144 31.513 29.460 -0.151 0.000 1.419 69 W HN 0.724 nan 8.180 nan 0.000 0.502 70 V N -0.009 119.839 119.914 -0.109 0.000 2.962 70 V HA 0.717 4.838 4.120 0.001 0.000 0.313 70 V C 0.157 176.205 176.094 -0.076 0.000 1.099 70 V CA -1.231 60.934 62.300 -0.226 0.000 0.971 70 V CB 1.108 32.532 31.823 -0.666 0.000 1.028 70 V HN 0.557 nan 8.190 nan 0.000 0.430 71 S N 1.446 117.138 115.700 -0.012 0.000 2.558 71 S HA -0.024 4.447 4.470 0.001 0.000 0.287 71 S C 1.063 175.671 174.600 0.013 0.000 1.321 71 S CA 0.651 58.861 58.200 0.017 0.000 1.048 71 S CB 0.426 63.675 63.200 0.082 0.000 0.844 71 S HN 1.274 nan 8.310 nan 0.000 0.512 72 D N 2.329 122.702 120.400 -0.045 0.000 2.378 72 D HA -0.112 4.528 4.640 0.001 0.000 0.222 72 D C 1.313 177.634 176.300 0.035 0.000 0.980 72 D CA 1.378 55.364 54.000 -0.024 0.000 0.907 72 D CB -0.631 40.157 40.800 -0.018 0.000 0.899 72 D HN 0.642 nan 8.370 nan 0.000 0.527 73 T N -3.832 110.756 114.554 0.057 0.000 3.134 73 T HA 0.117 4.467 4.350 0.001 0.000 0.260 73 T C 1.404 176.137 174.700 0.054 0.000 1.027 73 T CA -0.639 61.487 62.100 0.042 0.000 0.913 73 T CB -0.943 67.943 68.868 0.030 0.000 1.046 73 T HN 0.054 nan 8.240 nan 0.000 0.553 74 F N 2.035 121.951 119.950 -0.057 0.000 2.102 74 F HA 0.081 4.609 4.527 0.001 0.000 0.298 74 F C 1.748 177.522 175.800 -0.043 0.000 1.105 74 F CA 1.223 59.191 58.000 -0.052 0.000 1.239 74 F CB -0.252 38.712 39.000 -0.060 0.000 0.991 74 F HN 0.127 nan 8.300 nan 0.000 0.474 75 I N 0.604 121.195 120.570 0.035 0.000 2.163 75 I HA -0.372 3.798 4.170 0.001 0.000 0.243 75 I C 1.882 177.919 176.117 -0.133 0.000 1.085 75 I CA 1.477 62.710 61.300 -0.112 0.000 1.347 75 I CB -0.581 37.161 38.000 -0.430 0.000 1.044 75 I HN 0.227 nan 8.210 nan 0.000 0.408 76 N N 0.535 119.163 118.700 -0.121 0.000 2.270 76 N HA -0.144 4.597 4.740 0.001 0.000 0.181 76 N C 1.370 176.825 175.510 -0.092 0.000 1.016 76 N CA 1.134 54.138 53.050 -0.076 0.000 0.870 76 N CB -0.453 38.006 38.487 -0.047 0.000 0.979 76 N HN 0.332 nan 8.380 nan 0.000 0.431 77 D N 0.326 120.640 120.400 -0.143 0.000 2.144 77 D HA -0.045 4.595 4.640 0.001 0.000 0.200 77 D C 2.013 178.162 176.300 -0.251 0.000 0.978 77 D CA 0.602 54.501 54.000 -0.168 0.000 0.833 77 D CB 0.034 40.737 40.800 -0.162 0.000 0.961 77 D HN 0.053 nan 8.370 nan 0.000 0.470 78 V N -0.183 119.482 119.914 -0.415 0.000 2.374 78 V HA -0.067 4.054 4.120 0.001 0.000 0.241 78 V C 1.848 177.642 176.094 -0.500 0.000 1.034 78 V CA 0.925 62.878 62.300 -0.579 0.000 1.037 78 V CB -0.462 30.751 31.823 -1.017 0.000 0.682 78 V HN 0.032 nan 8.190 nan 0.000 0.463 79 F N -0.377 119.460 119.950 -0.187 0.000 2.710 79 F HA 0.078 4.606 4.527 0.002 0.000 0.298 79 F C 2.082 177.878 175.800 -0.008 0.000 1.137 79 F CA 0.602 58.577 58.000 -0.043 0.000 1.444 79 F CB -0.021 39.006 39.000 0.044 0.000 1.111 79 F HN 0.144 nan 8.300 nan 0.000 0.580 80 Q N -0.532 119.314 119.800 0.076 0.000 2.172 80 Q HA 0.060 4.401 4.340 0.001 0.000 0.217 80 Q C 2.054 178.057 176.000 0.005 0.000 0.832 80 Q CA 0.239 56.072 55.803 0.051 0.000 1.010 80 Q CB 0.122 28.878 28.738 0.031 0.000 1.133 80 Q HN 0.283 nan 8.270 nan 0.000 0.489 81 S N -1.393 114.285 115.700 -0.037 0.000 2.370 81 S HA -0.107 4.364 4.470 0.001 0.000 0.226 81 S C 1.725 176.316 174.600 -0.015 0.000 1.033 81 S CA 1.377 59.546 58.200 -0.052 0.000 1.011 81 S CB -0.307 62.838 63.200 -0.093 0.000 0.852 81 S HN 0.536 nan 8.310 nan 0.000 0.457 82 G N 0.668 109.473 108.800 0.008 0.000 2.238 82 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 82 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 82 G C 0.716 175.628 174.900 0.020 0.000 0.996 82 G CA 0.203 45.317 45.100 0.023 0.000 0.632 82 G HN 0.513 nan 8.290 nan 0.000 0.503 83 L N 0.937 122.161 121.223 0.001 0.000 2.291 83 L HA 0.178 4.519 4.340 0.001 0.000 0.214 83 L C 1.105 177.987 176.870 0.021 0.000 1.120 83 L CA 0.772 55.613 54.840 0.001 0.000 0.799 83 L CB -0.124 41.922 42.059 -0.021 0.000 0.925 83 L HN 0.199 nan 8.230 nan 0.000 0.446 84 D N 0.860 121.284 120.400 0.040 0.000 2.344 84 D HA -0.006 4.635 4.640 0.001 0.000 0.253 84 D C 0.684 177.043 176.300 0.100 0.000 1.255 84 D CA 0.164 54.215 54.000 0.085 0.000 0.894 84 D CB 0.845 41.728 40.800 0.138 0.000 1.067 84 D HN 0.152 nan 8.370 nan 0.000 0.492 85 Q N 2.363 122.205 119.800 0.070 0.000 2.320 85 Q HA 0.020 4.360 4.340 0.001 0.000 0.201 85 Q C 1.273 177.303 176.000 0.050 0.000 0.910 85 Q CA 0.106 55.944 55.803 0.058 0.000 0.946 85 Q CB 0.394 29.147 28.738 0.025 0.000 1.062 85 Q HN 0.479 nan 8.270 nan 0.000 0.503 86 T N 0.662 115.257 114.554 0.068 0.000 2.684 86 T HA -0.085 4.266 4.350 0.001 0.000 0.267 86 T C 0.341 174.923 174.700 -0.197 0.000 1.036 86 T CA 1.161 63.226 62.100 -0.058 0.000 1.148 86 T CB -0.080 68.790 68.868 0.002 0.000 0.863 86 T HN 0.115 nan 8.240 nan 0.000 0.436 87 F N 1.767 121.761 119.950 0.074 0.000 2.415 87 F HA 0.452 4.980 4.527 0.002 0.000 0.348 87 F C 0.437 176.267 175.800 0.051 0.000 1.119 87 F CA -1.048 56.992 58.000 0.065 0.000 1.069 87 F CB 1.064 40.103 39.000 0.065 0.000 1.124 87 F HN -0.147 nan 8.300 nan 0.000 0.472 88 Q N 2.461 122.364 119.800 0.171 0.000 2.345 88 Q HA 0.455 4.796 4.340 0.001 0.000 0.268 88 Q C -0.566 175.507 176.000 0.121 0.000 1.054 88 Q CA -1.015 54.859 55.803 0.119 0.000 0.835 88 Q CB 2.869 31.647 28.738 0.067 0.000 1.339 88 Q HN 0.592 nan 8.270 nan 0.000 0.447 89 V N -0.420 119.552 119.914 0.096 0.000 2.686 89 V HA 0.215 4.336 4.120 0.001 0.000 0.295 89 V C 0.125 176.266 176.094 0.078 0.000 1.055 89 V CA -0.334 62.017 62.300 0.085 0.000 1.050 89 V CB 1.041 32.904 31.823 0.067 0.000 0.984 89 V HN 0.810 nan 8.190 nan 0.000 0.482 90 E N 4.207 124.458 120.200 0.084 0.000 2.324 90 E HA 0.155 4.506 4.350 0.001 0.000 0.271 90 E C 0.487 177.139 176.600 0.086 0.000 1.028 90 E CA -0.577 55.879 56.400 0.094 0.000 0.890 90 E CB 0.906 30.671 29.700 0.107 0.000 1.004 90 E HN 0.733 nan 8.360 nan 0.000 0.431 91 K N 3.229 123.680 120.400 0.086 0.000 1.978 91 K HA -0.059 4.262 4.320 0.001 0.000 0.214 91 K C 0.483 177.141 176.600 0.095 0.000 1.049 91 K CA 1.451 57.783 56.287 0.074 0.000 0.939 91 K CB -0.002 32.533 32.500 0.057 0.000 0.721 91 K HN 0.468 nan 8.250 nan 0.000 0.441 92 R N 1.297 121.885 120.500 0.147 0.000 2.409 92 R HA 0.250 4.591 4.340 0.001 0.000 0.313 92 R C -2.462 173.983 176.300 0.242 0.000 0.953 92 R CA -1.900 54.319 56.100 0.199 0.000 0.849 92 R CB 1.796 32.250 30.300 0.257 0.000 1.171 92 R HN 0.063 nan 8.270 nan 0.000 0.458 93 P HA -0.093 nan 4.420 nan 0.000 0.261 93 P C -0.605 176.652 177.300 -0.072 0.000 1.183 93 P CA 0.273 63.413 63.100 0.068 0.000 0.761 93 P CB 0.375 32.089 31.700 0.022 0.000 0.785 94 H N 6.298 125.266 119.070 -0.170 0.000 2.928 94 H HA 0.046 4.603 4.556 0.001 0.000 0.338 94 H C -0.983 174.018 175.328 -0.545 0.000 1.047 94 H CA -1.023 54.718 56.048 -0.511 0.000 1.435 94 H CB 0.711 30.336 29.762 -0.228 0.000 1.428 94 H HN 0.298 nan 8.280 nan 0.000 0.590 95 P HA -0.118 nan 4.420 nan 0.000 0.230 95 P C 0.753 177.943 177.300 -0.183 0.000 1.158 95 P CA 0.991 63.842 63.100 -0.415 0.000 0.769 95 P CB 0.377 31.779 31.700 -0.498 0.000 0.807 96 L N -1.130 120.070 121.223 -0.039 0.000 2.607 96 L HA 0.151 4.492 4.340 0.001 0.000 0.228 96 L C 0.578 177.384 176.870 -0.106 0.000 1.123 96 L CA -0.230 54.494 54.840 -0.194 0.000 0.890 96 L CB -0.676 41.110 42.059 -0.454 0.000 1.103 96 L HN -0.075 nan 8.230 nan 0.000 0.468 97 N N 1.172 119.875 118.700 0.006 0.000 2.412 97 N HA 0.143 4.884 4.740 0.001 0.000 0.254 97 N C 0.541 176.074 175.510 0.038 0.000 1.232 97 N CA -0.197 52.926 53.050 0.123 0.000 0.880 97 N CB 0.770 39.311 38.487 0.090 0.000 1.076 97 N HN 0.175 nan 8.380 nan 0.000 0.458 98 A N 2.826 125.660 122.820 0.024 0.000 2.455 98 A HA 0.085 4.406 4.320 0.001 0.000 0.244 98 A C 0.475 178.052 177.584 -0.013 0.000 1.099 98 A CA -0.256 51.775 52.037 -0.010 0.000 0.786 98 A CB 0.084 19.067 19.000 -0.029 0.000 1.051 98 A HN 0.624 nan 8.150 nan 0.000 0.508 99 L N 1.110 122.322 121.223 -0.019 0.000 2.490 99 L HA 0.157 4.498 4.340 0.001 0.000 0.274 99 L C 1.395 178.252 176.870 -0.022 0.000 1.201 99 L CA -0.020 54.807 54.840 -0.021 0.000 0.869 99 L CB -0.086 41.957 42.059 -0.026 0.000 1.123 99 L HN 0.964 nan 8.230 nan 0.000 0.484 100 T N -0.382 114.160 114.554 -0.019 0.000 2.788 100 T HA 0.351 4.701 4.350 0.001 0.000 0.280 100 T C 1.250 175.934 174.700 -0.027 0.000 0.984 100 T CA -0.219 61.870 62.100 -0.019 0.000 0.972 100 T CB 1.430 70.290 68.868 -0.013 0.000 1.039 100 T HN 0.630 nan 8.240 nan 0.000 0.530 101 A N 0.814 123.618 122.820 -0.026 0.000 1.917 101 A HA -0.139 4.182 4.320 0.001 0.000 0.219 101 A C 2.021 179.583 177.584 -0.037 0.000 1.182 101 A CA 2.052 54.070 52.037 -0.033 0.000 0.633 101 A CB -1.229 17.755 19.000 -0.026 0.000 0.819 101 A HN 0.906 nan 8.150 nan 0.000 0.448 102 D N -0.334 120.049 120.400 -0.029 0.000 2.092 102 D HA -0.133 4.507 4.640 0.001 0.000 0.193 102 D C 1.985 178.265 176.300 -0.034 0.000 0.994 102 D CA 1.600 55.583 54.000 -0.028 0.000 0.828 102 D CB -0.473 40.315 40.800 -0.019 0.000 0.963 102 D HN 0.672 nan 8.370 nan 0.000 0.450 103 E N 0.023 120.205 120.200 -0.030 0.000 2.118 103 E HA -0.146 4.205 4.350 0.001 0.000 0.195 103 E C 2.309 178.880 176.600 -0.048 0.000 0.992 103 E CA 0.532 56.913 56.400 -0.032 0.000 0.804 103 E CB -0.080 29.606 29.700 -0.025 0.000 0.741 103 E HN 0.332 nan 8.360 nan 0.000 0.458 104 I N 1.095 121.628 120.570 -0.061 0.000 2.252 104 I HA -0.267 3.903 4.170 0.001 0.000 0.245 104 I C 2.332 178.377 176.117 -0.119 0.000 1.102 104 I CA 1.181 62.425 61.300 -0.094 0.000 1.385 104 I CB -0.124 37.817 38.000 -0.099 0.000 1.064 104 I HN -0.001 nan 8.210 nan 0.000 0.414 105 K N 0.211 120.555 120.400 -0.094 0.000 2.097 105 K HA -0.258 4.063 4.320 0.001 0.000 0.206 105 K C 2.163 178.713 176.600 -0.083 0.000 1.049 105 K CA 1.449 57.680 56.287 -0.094 0.000 0.933 105 K CB -0.185 32.275 32.500 -0.067 0.000 0.717 105 K HN 0.373 nan 8.250 nan 0.000 0.442 106 Q N 0.573 120.336 119.800 -0.061 0.000 2.079 106 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 106 Q C 1.998 177.972 176.000 -0.042 0.000 0.974 106 Q CA 1.505 57.282 55.803 -0.043 0.000 0.840 106 Q CB -0.105 28.615 28.738 -0.029 0.000 0.898 106 Q HN 0.301 nan 8.270 nan 0.000 0.430 107 A N 0.100 122.891 122.820 -0.049 0.000 1.933 107 A HA -0.121 4.199 4.320 0.001 0.000 0.218 107 A C 2.192 179.751 177.584 -0.043 0.000 1.175 107 A CA 1.506 53.524 52.037 -0.033 0.000 0.628 107 A CB -0.642 18.334 19.000 -0.039 0.000 0.814 107 A HN 0.314 nan 8.150 nan 0.000 0.444 108 V N -0.042 119.800 119.914 -0.120 0.000 2.358 108 V HA -0.261 3.860 4.120 0.001 0.000 0.246 108 V C 2.375 178.409 176.094 -0.099 0.000 1.047 108 V CA 2.261 64.469 62.300 -0.152 0.000 1.035 108 V CB -0.884 30.768 31.823 -0.285 0.000 0.658 108 V HN 0.642 nan 8.190 nan 0.000 0.452 109 E N 0.149 120.297 120.200 -0.085 0.000 2.058 109 E HA -0.218 4.133 4.350 0.001 0.000 0.194 109 E C 2.138 178.711 176.600 -0.046 0.000 0.997 109 E CA 1.705 58.061 56.400 -0.073 0.000 0.801 109 E CB -0.282 29.388 29.700 -0.051 0.000 0.746 109 E HN 0.560 nan 8.360 nan 0.000 0.450 110 I N 0.888 121.452 120.570 -0.010 0.000 2.118 110 I HA -0.285 3.886 4.170 0.001 0.000 0.241 110 I C 2.644 178.807 176.117 0.076 0.000 1.070 110 I CA 1.359 62.677 61.300 0.030 0.000 1.327 110 I CB -0.597 37.433 38.000 0.049 0.000 1.034 110 I HN 0.123 nan 8.210 nan 0.000 0.405 111 V N -1.546 118.441 119.914 0.122 0.000 2.548 111 V HA -0.154 3.967 4.120 0.001 0.000 0.249 111 V C 2.204 178.365 176.094 0.112 0.000 1.055 111 V CA 1.340 63.812 62.300 0.286 0.000 1.065 111 V CB -0.819 31.260 31.823 0.425 0.000 0.681 111 V HN 0.330 nan 8.190 nan 0.000 0.462 112 K N 1.214 121.475 120.400 -0.231 0.000 2.283 112 K HA 0.158 4.479 4.320 0.001 0.000 0.202 112 K C 1.929 178.441 176.600 -0.146 0.000 1.048 112 K CA 1.209 57.187 56.287 -0.516 0.000 0.948 112 K CB -0.302 31.889 32.500 -0.515 0.000 0.742 112 K HN 0.610 nan 8.250 nan 0.000 0.458 113 A N 1.141 123.926 122.820 -0.058 0.000 2.327 113 A HA 0.038 4.359 4.320 0.001 0.000 0.228 113 A C 0.557 178.129 177.584 -0.019 0.000 1.275 113 A CA -0.020 52.002 52.037 -0.025 0.000 0.875 113 A CB -0.001 18.987 19.000 -0.019 0.000 0.925 113 A HN 0.102 nan 8.150 nan 0.000 0.493 114 S N -1.045 114.650 115.700 -0.008 0.000 2.525 114 S HA 0.545 5.016 4.470 0.001 0.000 0.290 114 S C 1.312 175.862 174.600 -0.084 0.000 1.152 114 S CA -0.010 58.123 58.200 -0.110 0.000 1.072 114 S CB 1.363 64.378 63.200 -0.307 0.000 1.027 114 S HN 0.751 nan 8.310 nan 0.000 0.500 115 A N 3.359 126.096 122.820 -0.138 0.000 1.986 115 A HA -0.100 4.221 4.320 0.001 0.000 0.220 115 A C 1.607 179.134 177.584 -0.094 0.000 1.171 115 A CA 1.923 53.903 52.037 -0.095 0.000 0.640 115 A CB -0.652 18.280 19.000 -0.113 0.000 0.811 115 A HN 0.881 nan 8.150 nan 0.000 0.451 116 D N -1.800 118.458 120.400 -0.236 0.000 2.317 116 D HA 0.035 4.676 4.640 0.001 0.000 0.211 116 D C 0.152 176.513 176.300 0.101 0.000 0.966 116 D CA 0.104 54.004 54.000 -0.167 0.000 0.876 116 D CB -0.166 40.364 40.800 -0.449 0.000 0.927 116 D HN 0.428 nan 8.370 nan 0.000 0.519 117 F N 2.514 122.496 119.950 0.053 0.000 2.541 117 F HA 0.045 4.572 4.527 0.001 0.000 0.378 117 F C 0.665 176.529 175.800 0.106 0.000 1.068 117 F CA -0.123 57.999 58.000 0.204 0.000 1.199 117 F CB 0.320 39.452 39.000 0.220 0.000 1.091 117 F HN -0.403 nan 8.300 nan 0.000 0.555 118 K N 8.210 128.368 120.400 -0.404 0.000 2.123 118 K HA 0.266 4.587 4.320 0.001 0.000 0.259 118 K C -1.916 174.492 176.600 -0.321 0.000 0.960 118 K CA -1.713 54.435 56.287 -0.233 0.000 0.872 118 K CB 1.346 33.741 32.500 -0.175 0.000 1.079 118 K HN 0.332 nan 8.250 nan 0.000 0.440 119 P HA -0.167 nan 4.420 nan 0.000 0.226 119 P C 0.368 177.677 177.300 0.015 0.000 1.153 119 P CA 1.172 64.327 63.100 0.092 0.000 0.777 119 P CB 0.111 31.875 31.700 0.107 0.000 0.794 120 N N -0.589 118.071 118.700 -0.067 0.000 2.457 120 N HA -0.041 4.700 4.740 0.001 0.000 0.180 120 N C 0.165 175.605 175.510 -0.117 0.000 1.050 120 N CA 0.476 53.493 53.050 -0.055 0.000 0.906 120 N CB -1.360 37.097 38.487 -0.051 0.000 0.968 120 N HN -0.031 nan 8.380 nan 0.000 0.445 121 T N 1.910 116.288 114.554 -0.295 0.000 2.933 121 T HA 0.049 4.400 4.350 0.001 0.000 0.306 121 T C 0.496 175.025 174.700 -0.284 0.000 1.045 121 T CA 0.348 62.190 62.100 -0.430 0.000 1.143 121 T CB 0.710 68.988 68.868 -0.983 0.000 1.003 121 T HN 0.233 nan 8.240 nan 0.000 0.540 122 R N 0.730 121.068 120.500 -0.270 0.000 2.919 122 R HA 0.594 4.935 4.340 0.001 0.000 0.260 122 R C -1.129 174.983 176.300 -0.313 0.000 1.067 122 R CA -0.795 55.229 56.100 -0.126 0.000 1.003 122 R CB 1.314 31.693 30.300 0.132 0.000 1.192 122 R HN 0.456 nan 8.270 nan 0.000 0.488 123 F N 0.073 120.126 119.950 0.172 0.000 2.426 123 F HA 0.204 4.731 4.527 0.001 0.000 0.348 123 F C 1.461 177.341 175.800 0.134 0.000 1.124 123 F CA -0.499 57.580 58.000 0.130 0.000 1.008 123 F CB 1.999 41.067 39.000 0.114 0.000 1.139 123 F HN 0.634 nan 8.300 nan 0.000 0.452 124 T N -1.623 113.067 114.554 0.228 0.000 2.976 124 T HA 0.130 4.481 4.350 0.001 0.000 0.257 124 T C 0.373 175.169 174.700 0.160 0.000 1.051 124 T CA 0.407 62.609 62.100 0.170 0.000 1.141 124 T CB 0.189 69.122 68.868 0.108 0.000 0.881 124 T HN 0.541 nan 8.240 nan 0.000 0.461 125 E N -0.311 119.990 120.200 0.169 0.000 2.321 125 E HA 0.592 4.943 4.350 0.001 0.000 0.278 125 E C -1.860 174.821 176.600 0.136 0.000 0.902 125 E CA -0.776 55.700 56.400 0.127 0.000 0.758 125 E CB 2.118 31.867 29.700 0.082 0.000 1.213 125 E HN 0.344 nan 8.360 nan 0.000 0.426 126 I N 2.933 123.552 120.570 0.081 0.000 2.466 126 I HA 0.345 4.516 4.170 0.001 0.000 0.279 126 I C -0.857 175.270 176.117 0.017 0.000 1.033 126 I CA -0.301 61.020 61.300 0.036 0.000 1.123 126 I CB 1.700 39.670 38.000 -0.050 0.000 1.237 126 I HN 0.286 nan 8.210 nan 0.000 0.460 127 S N 4.999 120.714 115.700 0.025 0.000 2.569 127 S HA 0.502 4.973 4.470 0.001 0.000 0.280 127 S C -0.695 173.911 174.600 0.010 0.000 1.111 127 S CA -0.634 57.575 58.200 0.015 0.000 0.887 127 S CB 2.409 65.626 63.200 0.028 0.000 1.095 127 S HN 0.462 nan 8.310 nan 0.000 0.476 128 L N 2.682 123.903 121.223 -0.003 0.000 2.601 128 L HA 0.202 4.543 4.340 0.001 0.000 0.277 128 L C -0.578 176.293 176.870 0.001 0.000 1.219 128 L CA 0.128 54.964 54.840 -0.006 0.000 0.915 128 L CB 0.017 42.064 42.059 -0.019 0.000 1.160 128 L HN 0.596 nan 8.230 nan 0.000 0.494 129 L N 9.162 130.390 121.223 0.007 0.000 2.265 129 L HA 0.574 4.915 4.340 0.001 0.000 0.288 129 L C -2.226 174.647 176.870 0.005 0.000 1.058 129 L CA -1.514 53.334 54.840 0.013 0.000 0.809 129 L CB 0.584 42.656 42.059 0.022 0.000 1.179 129 L HN 0.538 nan 8.230 nan 0.000 0.429 130 P HA 0.388 nan 4.420 nan 0.000 0.285 130 P C -2.721 174.589 177.300 0.017 0.000 1.259 130 P CA -1.346 61.758 63.100 0.006 0.000 0.794 130 P CB 0.559 32.275 31.700 0.027 0.000 0.940 131 P HA 0.100 nan 4.420 nan 0.000 0.282 131 P C -0.273 177.040 177.300 0.023 0.000 1.286 131 P CA -0.113 62.988 63.100 0.003 0.000 0.777 131 P CB 0.249 31.935 31.700 -0.024 0.000 1.184 132 D N -0.402 120.006 120.400 0.013 0.000 2.304 132 D HA 0.031 4.671 4.640 0.001 0.000 0.247 132 D C 0.857 177.133 176.300 -0.040 0.000 1.089 132 D CA -0.459 53.548 54.000 0.012 0.000 0.910 132 D CB 1.186 41.993 40.800 0.012 0.000 1.199 132 D HN 0.329 nan 8.370 nan 0.000 0.426 133 K N 1.699 122.018 120.400 -0.135 0.000 2.089 133 K HA -0.296 4.025 4.320 0.001 0.000 0.210 133 K C 1.794 178.218 176.600 -0.293 0.000 1.048 133 K CA 1.796 57.789 56.287 -0.491 0.000 0.926 133 K CB -0.019 31.945 32.500 -0.894 0.000 0.714 133 K HN 0.594 nan 8.250 nan 0.000 0.448 134 E N -0.486 119.640 120.200 -0.123 0.000 2.077 134 E HA -0.199 4.152 4.350 0.001 0.000 0.193 134 E C 1.828 178.464 176.600 0.060 0.000 0.989 134 E CA 1.089 57.490 56.400 0.001 0.000 0.800 134 E CB -0.148 29.552 29.700 -0.001 0.000 0.746 134 E HN 0.505 nan 8.360 nan 0.000 0.452 135 A N 0.334 123.173 122.820 0.032 0.000 1.930 135 A HA -0.108 4.213 4.320 0.001 0.000 0.217 135 A C 2.365 180.003 177.584 0.089 0.000 1.175 135 A CA 1.170 53.243 52.037 0.059 0.000 0.627 135 A CB -0.498 18.521 19.000 0.032 0.000 0.815 135 A HN 0.200 nan 8.150 nan 0.000 0.443 136 V N -2.062 117.880 119.914 0.047 0.000 2.295 136 V HA -0.308 3.813 4.120 0.001 0.000 0.246 136 V C 2.243 178.437 176.094 0.167 0.000 1.049 136 V CA 1.854 64.179 62.300 0.041 0.000 1.024 136 V CB -1.108 30.746 31.823 0.052 0.000 0.648 136 V HN 0.792 nan 8.190 nan 0.000 0.447 137 W N -0.073 121.302 121.300 0.126 0.000 2.358 137 W HA -0.159 4.502 4.660 0.002 0.000 0.303 137 W C 2.596 179.172 176.519 0.094 0.000 1.208 137 W CA 0.993 58.412 57.345 0.122 0.000 1.274 137 W CB -0.219 29.266 29.460 0.041 0.000 1.138 137 W HN 0.215 nan 8.180 nan 0.000 0.515 138 A N -0.501 122.508 122.820 0.314 0.000 1.930 138 A HA -0.218 4.103 4.320 0.001 0.000 0.217 138 A C 1.636 179.316 177.584 0.160 0.000 1.175 138 A CA 1.365 53.511 52.037 0.183 0.000 0.627 138 A CB -1.205 17.867 19.000 0.119 0.000 0.815 138 A HN 0.390 nan 8.150 nan 0.000 0.443 139 F N 1.153 121.126 119.950 0.039 0.000 2.095 139 F HA -0.108 4.420 4.527 0.002 0.000 0.298 139 F C 2.462 178.265 175.800 0.005 0.000 1.104 139 F CA 1.382 59.367 58.000 -0.024 0.000 1.232 139 F CB -0.444 38.478 39.000 -0.130 0.000 0.987 139 F HN 0.237 nan 8.300 nan 0.000 0.475 140 A N 0.253 123.284 122.820 0.352 0.000 1.898 140 A HA -0.056 4.265 4.320 0.001 0.000 0.216 140 A C 2.258 179.949 177.584 0.179 0.000 1.181 140 A CA 1.753 53.984 52.037 0.323 0.000 0.620 140 A CB -0.911 18.381 19.000 0.487 0.000 0.819 140 A HN 0.499 nan 8.150 nan 0.000 0.442 141 L N -2.073 119.266 121.223 0.194 0.000 2.298 141 L HA 0.100 4.441 4.340 0.001 0.000 0.209 141 L C 1.634 178.513 176.870 0.014 0.000 1.084 141 L CA 0.869 55.773 54.840 0.107 0.000 0.816 141 L CB -0.018 42.098 42.059 0.095 0.000 0.967 141 L HN 0.354 nan 8.230 nan 0.000 0.460 142 E N -1.039 119.153 120.200 -0.014 0.000 2.630 142 E HA 0.088 4.439 4.350 0.001 0.000 0.218 142 E C 0.051 176.588 176.600 -0.106 0.000 0.977 142 E CA -0.183 56.190 56.400 -0.045 0.000 1.038 142 E CB 0.563 30.253 29.700 -0.017 0.000 1.051 142 E HN 0.162 nan 8.360 nan 0.000 0.487 143 N N 1.714 120.284 118.700 -0.217 0.000 2.765 143 N HA -0.234 4.507 4.740 0.001 0.000 0.248 143 N C -0.141 175.212 175.510 -0.262 0.000 1.063 143 N CA 1.023 53.846 53.050 -0.378 0.000 0.862 143 N CB -0.570 37.747 38.487 -0.284 0.000 1.145 143 N HN 0.246 nan 8.380 nan 0.000 0.581 144 K N 1.607 121.942 120.400 -0.110 0.000 2.436 144 K HA 0.084 4.405 4.320 0.001 0.000 0.282 144 K C -2.305 174.344 176.600 0.083 0.000 1.044 144 K CA -0.812 55.469 56.287 -0.009 0.000 1.028 144 K CB 0.572 33.087 32.500 0.024 0.000 0.919 144 K HN -0.042 nan 8.250 nan 0.000 0.474 145 P HA 0.008 nan 4.420 nan 0.000 0.272 145 P C -0.973 176.411 177.300 0.139 0.000 1.230 145 P CA -0.500 62.709 63.100 0.181 0.000 0.788 145 P CB 0.689 32.453 31.700 0.107 0.000 0.949 146 V N 3.004 122.990 119.914 0.119 0.000 2.383 146 V HA 0.090 4.211 4.120 0.001 0.000 0.275 146 V C 0.977 177.088 176.094 0.028 0.000 1.036 146 V CA 0.120 62.450 62.300 0.050 0.000 0.889 146 V CB 0.911 32.724 31.823 -0.017 0.000 0.985 146 V HN 0.632 nan 8.190 nan 0.000 0.459 147 D N 3.050 123.465 120.400 0.025 0.000 2.350 147 D HA 0.017 4.658 4.640 0.001 0.000 0.213 147 D C 0.461 176.768 176.300 0.011 0.000 1.031 147 D CA -0.078 53.933 54.000 0.018 0.000 0.861 147 D CB 0.634 41.446 40.800 0.020 0.000 0.926 147 D HN 0.573 nan 8.370 nan 0.000 0.520 148 Q N 1.822 121.625 119.800 0.006 0.000 2.394 148 Q HA 0.277 4.618 4.340 0.001 0.000 0.248 148 Q C -2.258 173.741 176.000 -0.002 0.000 0.992 148 Q CA -1.232 54.574 55.803 0.004 0.000 0.888 148 Q CB 0.500 29.239 28.738 0.002 0.000 1.257 148 Q HN 0.082 nan 8.270 nan 0.000 0.462 149 P HA 0.149 nan 4.420 nan 0.000 0.282 149 P C -0.960 176.337 177.300 -0.005 0.000 1.249 149 P CA -0.556 62.544 63.100 -0.000 0.000 0.806 149 P CB 0.785 32.489 31.700 0.006 0.000 0.984 150 R N 2.462 122.957 120.500 -0.010 0.000 2.458 150 R HA 0.125 4.466 4.340 0.001 0.000 0.303 150 R C 0.406 176.704 176.300 -0.002 0.000 1.013 150 R CA 0.488 56.580 56.100 -0.013 0.000 1.026 150 R CB -0.055 30.235 30.300 -0.016 0.000 0.948 150 R HN 0.496 nan 8.270 nan 0.000 0.417 151 K N 1.227 121.628 120.400 0.001 0.000 2.267 151 K HA 0.631 4.952 4.320 0.001 0.000 0.246 151 K C -0.721 175.886 176.600 0.011 0.000 0.954 151 K CA -0.798 55.496 56.287 0.012 0.000 0.824 151 K CB 2.357 34.868 32.500 0.019 0.000 1.167 151 K HN 0.542 nan 8.250 nan 0.000 0.431 152 A N 1.774 124.605 122.820 0.019 0.000 2.355 152 A HA 0.329 4.650 4.320 0.001 0.000 0.317 152 A C -1.028 176.578 177.584 0.036 0.000 1.094 152 A CA -0.809 51.240 52.037 0.020 0.000 0.764 152 A CB 0.751 19.759 19.000 0.012 0.000 1.230 152 A HN 0.652 nan 8.150 nan 0.000 0.448 153 D N 1.348 121.771 120.400 0.039 0.000 2.351 153 D HA 0.385 5.026 4.640 0.001 0.000 0.251 153 D C -0.623 175.716 176.300 0.065 0.000 1.137 153 D CA 0.544 54.575 54.000 0.053 0.000 0.879 153 D CB 1.556 42.390 40.800 0.057 0.000 1.181 153 D HN 0.149 nan 8.370 nan 0.000 0.448 154 V N 4.756 124.716 119.914 0.077 0.000 2.407 154 V HA 0.386 4.507 4.120 0.001 0.000 0.291 154 V C 0.257 176.413 176.094 0.104 0.000 1.018 154 V CA -0.684 61.691 62.300 0.125 0.000 0.842 154 V CB 1.548 33.468 31.823 0.160 0.000 0.996 154 V HN 0.351 nan 8.190 nan 0.000 0.426 155 I N 5.972 126.628 120.570 0.144 0.000 2.389 155 I HA 0.545 4.716 4.170 0.001 0.000 0.288 155 I C -0.382 175.774 176.117 0.065 0.000 0.999 155 I CA -0.306 61.044 61.300 0.083 0.000 1.129 155 I CB 1.770 39.839 38.000 0.115 0.000 1.288 155 I HN 0.454 nan 8.210 nan 0.000 0.444 156 M N 6.700 126.255 119.600 -0.075 0.000 2.535 156 M HA 0.490 4.970 4.480 0.001 0.000 0.314 156 M C -1.145 175.048 176.300 -0.179 0.000 1.153 156 M CA -0.836 54.348 55.300 -0.194 0.000 0.924 156 M CB 2.889 35.295 32.600 -0.325 0.000 1.710 156 M HN 0.345 nan 8.290 nan 0.000 0.451 157 L N 2.516 123.630 121.223 -0.181 0.000 2.298 157 L HA 0.445 4.786 4.340 0.001 0.000 0.284 157 L C -1.034 175.732 176.870 -0.174 0.000 1.013 157 L CA 0.007 54.759 54.840 -0.146 0.000 0.824 157 L CB 0.920 42.924 42.059 -0.091 0.000 1.221 157 L HN 0.545 nan 8.230 nan 0.000 0.418 158 D N 4.630 124.943 120.400 -0.146 0.000 2.485 158 D HA 0.473 5.114 4.640 0.001 0.000 0.221 158 D C 0.954 177.210 176.300 -0.073 0.000 1.112 158 D CA 0.839 54.763 54.000 -0.126 0.000 0.911 158 D CB 0.694 41.445 40.800 -0.081 0.000 1.019 158 D HN 0.847 nan 8.370 nan 0.000 0.516 159 G N 5.291 114.035 108.800 -0.094 0.000 2.815 159 G HA2 -0.409 3.552 3.960 0.001 0.000 0.326 159 G HA3 -0.409 3.552 3.960 0.001 0.000 0.326 159 G C 1.017 175.832 174.900 -0.141 0.000 1.191 159 G CA 1.027 46.072 45.100 -0.093 0.000 0.965 159 G HN 0.592 nan 8.290 nan 0.000 0.564 160 K N 0.916 121.173 120.400 -0.239 0.000 2.354 160 K HA 0.185 4.506 4.320 0.001 0.000 0.194 160 K C 0.490 176.818 176.600 -0.453 0.000 1.045 160 K CA 0.253 56.334 56.287 -0.342 0.000 1.026 160 K CB 0.155 32.442 32.500 -0.354 0.000 0.866 160 K HN 0.646 nan 8.250 nan 0.000 0.530 161 H N 1.801 120.774 119.070 -0.162 0.000 2.683 161 H HA 0.148 4.705 4.556 0.001 0.000 0.339 161 H C 0.111 175.315 175.328 -0.208 0.000 1.081 161 H CA -0.374 55.560 56.048 -0.190 0.000 1.432 161 H CB 0.977 30.649 29.762 -0.150 0.000 1.462 161 H HN 0.027 nan 8.280 nan 0.000 0.557 162 I N 4.753 125.234 120.570 -0.148 0.000 2.395 162 I HA 0.125 4.296 4.170 0.001 0.000 0.289 162 I C 0.655 176.653 176.117 -0.199 0.000 1.023 162 I CA -0.169 61.004 61.300 -0.213 0.000 1.350 162 I CB 0.389 38.149 38.000 -0.400 0.000 1.409 162 I HN 0.395 nan 8.210 nan 0.000 0.507 163 I N 6.043 126.474 120.570 -0.232 0.000 2.509 163 I HA 0.265 4.435 4.170 0.001 0.000 0.293 163 I C 0.037 175.979 176.117 -0.293 0.000 1.020 163 I CA -0.529 60.574 61.300 -0.328 0.000 1.088 163 I CB 1.762 39.418 38.000 -0.573 0.000 1.267 163 I HN 0.445 nan 8.210 nan 0.000 0.430 164 E N 5.483 125.544 120.200 -0.232 0.000 2.055 164 E HA 0.586 4.937 4.350 0.001 0.000 0.274 164 E C -0.688 175.811 176.600 -0.168 0.000 0.949 164 E CA -0.596 55.728 56.400 -0.127 0.000 0.775 164 E CB 1.508 31.204 29.700 -0.007 0.000 1.097 164 E HN 0.642 nan 8.360 nan 0.000 0.404 165 A N 2.901 125.613 122.820 -0.179 0.000 2.303 165 A HA 0.554 4.875 4.320 0.001 0.000 0.317 165 A C -0.269 177.337 177.584 0.036 0.000 1.149 165 A CA -0.566 51.430 52.037 -0.068 0.000 0.822 165 A CB 1.027 19.986 19.000 -0.069 0.000 1.131 165 A HN 0.417 nan 8.150 nan 0.000 0.493 166 V N 2.383 122.346 119.914 0.081 0.000 2.495 166 V HA 0.561 4.681 4.120 0.001 0.000 0.298 166 V C -0.134 176.014 176.094 0.091 0.000 1.031 166 V CA -0.415 61.931 62.300 0.076 0.000 0.871 166 V CB 1.422 33.285 31.823 0.067 0.000 0.988 166 V HN 1.046 nan 8.190 nan 0.000 0.432 167 V N 0.835 120.794 119.914 0.074 0.000 2.680 167 V HA 0.711 4.832 4.120 0.001 0.000 0.309 167 V C -0.730 175.392 176.094 0.046 0.000 1.052 167 V CA -0.649 61.693 62.300 0.069 0.000 0.908 167 V CB 2.061 33.925 31.823 0.069 0.000 1.001 167 V HN 0.787 nan 8.190 nan 0.000 0.431 168 D N 2.801 123.225 120.400 0.041 0.000 2.232 168 D HA 0.436 5.076 4.640 0.001 0.000 0.242 168 D C 0.524 176.836 176.300 0.020 0.000 1.093 168 D CA -0.181 53.836 54.000 0.028 0.000 0.845 168 D CB 1.859 42.675 40.800 0.028 0.000 1.124 168 D HN 0.641 nan 8.370 nan 0.000 0.467 169 L N 2.887 124.117 121.223 0.012 0.000 2.408 169 L HA 0.074 4.414 4.340 0.001 0.000 0.215 169 L C 2.401 179.273 176.870 0.004 0.000 1.081 169 L CA 0.073 54.917 54.840 0.006 0.000 0.840 169 L CB -0.123 41.935 42.059 -0.001 0.000 1.002 169 L HN 0.483 nan 8.230 nan 0.000 0.468 170 Q N 0.633 120.435 119.800 0.004 0.000 2.084 170 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 170 Q C 1.322 177.326 176.000 0.007 0.000 0.978 170 Q CA 1.487 57.292 55.803 0.004 0.000 0.844 170 Q CB 0.234 28.974 28.738 0.004 0.000 0.898 170 Q HN 0.470 nan 8.270 nan 0.000 0.426 171 N N 0.248 118.954 118.700 0.010 0.000 2.236 171 N HA -0.013 4.727 4.740 0.001 0.000 0.196 171 N C -0.392 175.125 175.510 0.012 0.000 1.114 171 N CA 0.328 53.385 53.050 0.011 0.000 0.859 171 N CB 0.404 38.899 38.487 0.013 0.000 0.982 171 N HN 0.262 nan 8.380 nan 0.000 0.493 172 N N 1.046 119.753 118.700 0.012 0.000 2.758 172 N HA -0.203 4.537 4.740 0.001 0.000 0.248 172 N C -0.829 174.692 175.510 0.019 0.000 1.076 172 N CA 0.833 53.890 53.050 0.012 0.000 0.696 172 N CB -0.866 37.625 38.487 0.006 0.000 0.979 172 N HN 0.534 nan 8.380 nan 0.000 0.550 173 K N -1.149 119.267 120.400 0.027 0.000 2.444 173 K HA 0.590 4.910 4.320 0.001 0.000 0.252 173 K C -0.866 175.768 176.600 0.057 0.000 0.993 173 K CA -1.154 55.155 56.287 0.036 0.000 0.847 173 K CB 1.052 33.570 32.500 0.030 0.000 1.340 173 K HN 0.008 nan 8.250 nan 0.000 0.446 174 L N 3.593 124.859 121.223 0.072 0.000 2.375 174 L HA 0.224 4.565 4.340 0.001 0.000 0.276 174 L C 0.393 177.327 176.870 0.107 0.000 1.162 174 L CA -0.177 54.732 54.840 0.114 0.000 0.991 174 L CB -0.302 41.844 42.059 0.145 0.000 1.315 174 L HN 0.824 nan 8.230 nan 0.000 0.431 175 L N 2.165 123.445 121.223 0.095 0.000 2.353 175 L HA -0.010 4.331 4.340 0.001 0.000 0.220 175 L C 0.843 177.776 176.870 0.105 0.000 1.133 175 L CA 0.931 55.821 54.840 0.083 0.000 0.798 175 L CB -0.637 41.462 42.059 0.066 0.000 0.922 175 L HN 0.844 nan 8.230 nan 0.000 0.445 176 S N -2.546 113.244 115.700 0.151 0.000 2.633 176 S HA 0.308 4.779 4.470 0.001 0.000 0.271 176 S C -2.165 172.602 174.600 0.279 0.000 1.112 176 S CA -0.928 57.382 58.200 0.183 0.000 0.828 176 S CB 1.159 64.433 63.200 0.123 0.000 1.086 176 S HN 0.199 nan 8.310 nan 0.000 0.461 177 W N 2.518 123.841 121.300 0.039 0.000 2.525 177 W HA 0.450 5.110 4.660 0.001 0.000 0.294 177 W C -1.724 174.810 176.519 0.024 0.000 1.044 177 W CA -0.018 57.351 57.345 0.040 0.000 1.169 177 W CB 1.406 30.891 29.460 0.041 0.000 1.042 177 W HN 0.922 nan 8.180 nan 0.000 0.316 178 Q N 6.405 126.195 119.800 -0.016 0.000 2.363 178 Q HA 0.456 4.797 4.340 0.001 0.000 0.265 178 Q C -2.393 173.555 176.000 -0.087 0.000 1.032 178 Q CA -2.039 53.771 55.803 0.012 0.000 0.746 178 Q CB 2.006 30.758 28.738 0.023 0.000 1.237 178 Q HN 0.014 nan 8.270 nan 0.000 0.475 179 P HA 0.061 nan 4.420 nan 0.000 0.265 179 P C -0.698 176.553 177.300 -0.081 0.000 1.193 179 P CA 0.143 63.196 63.100 -0.078 0.000 0.765 179 P CB 0.517 32.189 31.700 -0.047 0.000 0.823 180 I N 3.333 123.827 120.570 -0.127 0.000 2.428 180 I HA 0.150 4.321 4.170 0.001 0.000 0.279 180 I C 0.945 176.971 176.117 -0.151 0.000 1.040 180 I CA -1.241 59.971 61.300 -0.146 0.000 1.171 180 I CB 0.455 38.303 38.000 -0.253 0.000 1.312 180 I HN 0.343 nan 8.210 nan 0.000 0.470 181 K N 5.521 125.866 120.400 -0.092 0.000 2.436 181 K HA 0.025 4.346 4.320 0.001 0.000 0.275 181 K C -0.013 176.524 176.600 -0.105 0.000 0.999 181 K CA 0.166 56.408 56.287 -0.074 0.000 0.980 181 K CB 0.975 33.447 32.500 -0.047 0.000 0.919 181 K HN 0.541 nan 8.250 nan 0.000 0.484 182 D N -1.097 119.226 120.400 -0.129 0.000 3.077 182 D HA -0.176 4.465 4.640 0.001 0.000 0.212 182 D C -0.542 175.641 176.300 -0.195 0.000 1.125 182 D CA 1.600 55.512 54.000 -0.147 0.000 0.970 182 D CB -1.234 39.528 40.800 -0.064 0.000 1.110 182 D HN 0.791 nan 8.370 nan 0.000 0.419 183 A N 0.751 123.392 122.820 -0.298 0.000 2.288 183 A HA 0.513 4.834 4.320 0.001 0.000 0.320 183 A C 0.124 177.453 177.584 -0.424 0.000 1.217 183 A CA -0.452 51.370 52.037 -0.359 0.000 0.840 183 A CB 0.862 19.443 19.000 -0.699 0.000 1.179 183 A HN 0.171 nan 8.150 nan 0.000 0.504 184 H N 1.319 120.286 119.070 -0.171 0.000 2.505 184 H HA 0.426 4.983 4.556 0.001 0.000 0.351 184 H C 0.869 176.139 175.328 -0.097 0.000 1.151 184 H CA 0.519 56.480 56.048 -0.146 0.000 1.339 184 H CB 1.620 31.310 29.762 -0.119 0.000 1.483 184 H HN 0.810 nan 8.280 nan 0.000 0.558 185 G N 1.274 110.080 108.800 0.010 0.000 2.477 185 G HA2 0.370 4.331 3.960 0.001 0.000 0.304 185 G HA3 0.370 4.331 3.960 0.001 0.000 0.304 185 G C 0.518 175.422 174.900 0.005 0.000 1.175 185 G CA -0.791 44.321 45.100 0.019 0.000 0.907 185 G HN 0.654 nan 8.290 nan 0.000 0.509 186 M N 0.315 119.915 119.600 -0.001 0.000 2.207 186 M HA 0.362 4.843 4.480 0.001 0.000 0.311 186 M C -0.106 176.135 176.300 -0.098 0.000 1.127 186 M CA -0.358 54.901 55.300 -0.068 0.000 1.181 186 M CB 0.591 33.160 32.600 -0.052 0.000 1.409 186 M HN 0.130 nan 8.290 nan 0.000 0.461 187 V N 3.270 123.064 119.914 -0.201 0.000 2.557 187 V HA 0.002 4.123 4.120 0.001 0.000 0.301 187 V C 0.493 176.590 176.094 0.005 0.000 1.026 187 V CA 0.348 62.552 62.300 -0.160 0.000 1.137 187 V CB -0.516 31.123 31.823 -0.308 0.000 0.917 187 V HN 0.662 nan 8.190 nan 0.000 0.484 188 L N 4.332 125.557 121.223 0.004 0.000 2.334 188 L HA 0.338 4.679 4.340 0.001 0.000 0.272 188 L C 1.107 177.983 176.870 0.010 0.000 1.020 188 L CA -0.855 53.980 54.840 -0.008 0.000 0.812 188 L CB 1.339 43.329 42.059 -0.115 0.000 1.264 188 L HN 0.455 nan 8.230 nan 0.000 0.439 189 L N 1.707 122.879 121.223 -0.085 0.000 2.051 189 L HA -0.272 4.069 4.340 0.001 0.000 0.214 189 L C 2.249 179.059 176.870 -0.100 0.000 1.076 189 L CA 2.100 56.916 54.840 -0.040 0.000 0.758 189 L CB -0.599 41.447 42.059 -0.021 0.000 0.890 189 L HN 0.880 nan 8.230 nan 0.000 0.433 190 D N -2.152 117.919 120.400 -0.550 0.000 2.219 190 D HA -0.209 4.432 4.640 0.001 0.000 0.205 190 D C 1.479 177.747 176.300 -0.054 0.000 0.970 190 D CA 1.075 54.931 54.000 -0.240 0.000 0.851 190 D CB -0.586 40.072 40.800 -0.236 0.000 0.943 190 D HN 0.324 nan 8.370 nan 0.000 0.488 191 D N 0.292 120.656 120.400 -0.059 0.000 2.158 191 D HA -0.161 4.479 4.640 0.001 0.000 0.197 191 D C 1.836 178.103 176.300 -0.055 0.000 0.995 191 D CA 0.700 54.658 54.000 -0.070 0.000 0.846 191 D CB -0.628 40.097 40.800 -0.125 0.000 0.941 191 D HN 0.265 nan 8.370 nan 0.000 0.456 192 F N 1.408 121.338 119.950 -0.033 0.000 2.069 192 F HA -0.203 4.324 4.527 0.001 0.000 0.298 192 F C 2.558 178.341 175.800 -0.030 0.000 1.113 192 F CA 1.348 59.345 58.000 -0.004 0.000 1.214 192 F CB -0.753 38.264 39.000 0.027 0.000 0.978 192 F HN -0.059 nan 8.300 nan 0.000 0.474 193 A N -0.379 122.538 122.820 0.162 0.000 1.877 193 A HA -0.171 4.150 4.320 0.001 0.000 0.216 193 A C 2.343 179.936 177.584 0.014 0.000 1.186 193 A CA 2.062 54.143 52.037 0.073 0.000 0.620 193 A CB -1.171 17.870 19.000 0.068 0.000 0.822 193 A HN 0.358 nan 8.150 nan 0.000 0.443 194 S N -0.113 115.585 115.700 -0.003 0.000 2.359 194 S HA -0.186 4.284 4.470 0.001 0.000 0.222 194 S C 1.853 176.413 174.600 -0.068 0.000 1.038 194 S CA 1.548 59.727 58.200 -0.035 0.000 1.051 194 S CB -0.940 62.232 63.200 -0.046 0.000 0.944 194 S HN 0.303 nan 8.310 nan 0.000 0.433 195 V N 2.004 121.863 119.914 -0.092 0.000 2.324 195 V HA -0.248 3.873 4.120 0.001 0.000 0.250 195 V C 2.736 178.743 176.094 -0.145 0.000 1.060 195 V CA 2.234 64.453 62.300 -0.133 0.000 1.042 195 V CB -0.789 30.934 31.823 -0.167 0.000 0.650 195 V HN 0.418 nan 8.190 nan 0.000 0.450 196 Q N 0.355 120.092 119.800 -0.104 0.000 2.170 196 Q HA -0.169 4.172 4.340 0.001 0.000 0.203 196 Q C 1.823 177.758 176.000 -0.108 0.000 0.976 196 Q CA 2.289 58.026 55.803 -0.110 0.000 0.858 196 Q CB -0.415 28.286 28.738 -0.061 0.000 0.907 196 Q HN 0.810 nan 8.270 nan 0.000 0.433 197 N N -0.941 117.712 118.700 -0.079 0.000 2.207 197 N HA 0.007 4.748 4.740 0.001 0.000 0.182 197 N C 1.642 177.103 175.510 -0.082 0.000 1.020 197 N CA 1.022 54.033 53.050 -0.065 0.000 0.858 197 N CB -0.029 38.436 38.487 -0.037 0.000 0.991 197 N HN 0.189 nan 8.380 nan 0.000 0.427 198 I N 0.876 121.387 120.570 -0.097 0.000 2.118 198 I HA -0.284 3.887 4.170 0.001 0.000 0.241 198 I C 1.816 177.842 176.117 -0.151 0.000 1.070 198 I CA 1.171 62.407 61.300 -0.107 0.000 1.327 198 I CB -0.217 37.715 38.000 -0.112 0.000 1.034 198 I HN 0.108 nan 8.210 nan 0.000 0.405 199 I N 0.876 121.299 120.570 -0.246 0.000 2.286 199 I HA -0.298 3.872 4.170 0.001 0.000 0.248 199 I C 2.013 177.993 176.117 -0.229 0.000 1.115 199 I CA 1.821 62.874 61.300 -0.411 0.000 1.392 199 I CB -0.678 36.889 38.000 -0.723 0.000 1.065 199 I HN 0.231 nan 8.210 nan 0.000 0.418 200 N N -0.190 118.425 118.700 -0.143 0.000 2.396 200 N HA -0.102 4.639 4.740 0.001 0.000 0.180 200 N C 1.255 176.748 175.510 -0.029 0.000 1.028 200 N CA 0.661 53.673 53.050 -0.062 0.000 0.893 200 N CB -0.201 38.256 38.487 -0.051 0.000 0.967 200 N HN 0.471 nan 8.380 nan 0.000 0.440 201 N N -0.327 118.349 118.700 -0.040 0.000 2.353 201 N HA 0.026 4.767 4.740 0.001 0.000 0.185 201 N C -0.332 175.176 175.510 -0.003 0.000 1.098 201 N CA -0.150 52.888 53.050 -0.019 0.000 0.872 201 N CB 0.421 38.893 38.487 -0.025 0.000 0.970 201 N HN -0.080 nan 8.380 nan 0.000 0.467 202 S N 1.357 117.060 115.700 0.004 0.000 2.416 202 S HA 0.019 4.490 4.470 0.001 0.000 0.287 202 S C 1.263 175.916 174.600 0.089 0.000 1.139 202 S CA -0.709 57.519 58.200 0.047 0.000 1.058 202 S CB 0.535 63.773 63.200 0.064 0.000 0.967 202 S HN 0.237 nan 8.310 nan 0.000 0.495 203 E N 5.006 125.240 120.200 0.056 0.000 2.153 203 E HA -0.193 4.158 4.350 0.001 0.000 0.194 203 E C 0.981 177.611 176.600 0.050 0.000 0.988 203 E CA 1.304 57.732 56.400 0.047 0.000 0.811 203 E CB -0.283 29.431 29.700 0.024 0.000 0.746 203 E HN 0.831 nan 8.360 nan 0.000 0.466 204 E N -0.220 120.015 120.200 0.059 0.000 2.076 204 E HA -0.069 4.282 4.350 0.001 0.000 0.190 204 E C 1.937 178.568 176.600 0.051 0.000 0.979 204 E CA 0.680 57.105 56.400 0.041 0.000 0.807 204 E CB -0.348 29.376 29.700 0.040 0.000 0.761 204 E HN 0.262 nan 8.360 nan 0.000 0.454 205 F N 1.929 121.863 119.950 -0.027 0.000 2.134 205 F HA -0.144 4.384 4.527 0.001 0.000 0.299 205 F C 2.321 178.106 175.800 -0.025 0.000 1.097 205 F CA 1.354 59.336 58.000 -0.030 0.000 1.264 205 F CB -0.172 38.807 39.000 -0.035 0.000 1.001 205 F HN -0.070 nan 8.300 nan 0.000 0.479 206 A N 0.111 123.023 122.820 0.154 0.000 1.978 206 A HA -0.092 4.229 4.320 0.001 0.000 0.220 206 A C 2.343 179.903 177.584 -0.040 0.000 1.170 206 A CA 1.734 53.812 52.037 0.068 0.000 0.636 206 A CB -1.411 17.635 19.000 0.076 0.000 0.810 206 A HN 0.488 nan 8.150 nan 0.000 0.448 207 A N -0.186 122.602 122.820 -0.053 0.000 1.872 207 A HA 0.265 4.585 4.320 0.001 0.000 0.214 207 A C 2.530 180.038 177.584 -0.127 0.000 1.187 207 A CA 1.777 53.772 52.037 -0.070 0.000 0.614 207 A CB -1.151 17.822 19.000 -0.045 0.000 0.826 207 A HN 1.084 nan 8.150 nan 0.000 0.442 208 A N -0.621 122.080 122.820 -0.199 0.000 1.927 208 A HA -0.129 4.192 4.320 0.001 0.000 0.220 208 A C 2.256 179.661 177.584 -0.298 0.000 1.185 208 A CA 2.091 53.966 52.037 -0.270 0.000 0.639 208 A CB -1.028 17.738 19.000 -0.390 0.000 0.820 208 A HN 0.464 nan 8.150 nan 0.000 0.451 209 V N -0.561 119.128 119.914 -0.375 0.000 2.548 209 V HA -0.181 3.940 4.120 0.001 0.000 0.249 209 V C 2.472 178.492 176.094 -0.125 0.000 1.055 209 V CA 2.242 64.382 62.300 -0.267 0.000 1.065 209 V CB -0.435 31.231 31.823 -0.261 0.000 0.681 209 V HN 0.619 nan 8.190 nan 0.000 0.462 210 K N -0.079 120.262 120.400 -0.099 0.000 2.057 210 K HA -0.189 4.132 4.320 0.001 0.000 0.207 210 K C 2.185 178.752 176.600 -0.054 0.000 1.049 210 K CA 1.392 57.645 56.287 -0.057 0.000 0.931 210 K CB -0.108 32.366 32.500 -0.044 0.000 0.714 210 K HN 0.361 nan 8.250 nan 0.000 0.440 211 K N 0.086 120.444 120.400 -0.070 0.000 2.160 211 K HA -0.171 4.150 4.320 0.001 0.000 0.206 211 K C 1.310 177.882 176.600 -0.047 0.000 1.047 211 K CA 1.345 57.598 56.287 -0.057 0.000 0.930 211 K CB -0.031 32.428 32.500 -0.068 0.000 0.720 211 K HN 0.123 nan 8.250 nan 0.000 0.450 212 R N -0.724 119.743 120.500 -0.055 0.000 2.552 212 R HA 0.108 4.449 4.340 0.001 0.000 0.314 212 R C 0.735 177.023 176.300 -0.019 0.000 1.041 212 R CA 0.346 56.423 56.100 -0.037 0.000 1.076 212 R CB 0.929 31.199 30.300 -0.050 0.000 1.290 212 R HN 0.351 nan 8.270 nan 0.000 0.563 213 G N 1.110 109.899 108.800 -0.018 0.000 2.234 213 G HA2 -0.266 3.694 3.960 0.001 0.000 0.235 213 G HA3 -0.266 3.694 3.960 0.001 0.000 0.235 213 G C 0.141 175.038 174.900 -0.005 0.000 0.997 213 G CA -0.496 44.600 45.100 -0.006 0.000 0.623 213 G HN 0.210 nan 8.290 nan 0.000 0.514 214 I N 2.887 123.451 120.570 -0.011 0.000 2.329 214 I HA 0.326 4.496 4.170 0.001 0.000 0.295 214 I C 1.936 178.049 176.117 -0.006 0.000 1.109 214 I CA 0.772 62.069 61.300 -0.004 0.000 1.297 214 I CB 1.378 39.379 38.000 0.002 0.000 1.433 214 I HN 0.309 nan 8.210 nan 0.000 0.509 215 T N 0.484 115.037 114.554 -0.001 0.000 2.942 215 T HA -0.072 4.278 4.350 0.001 0.000 0.265 215 T C 0.897 175.600 174.700 0.005 0.000 1.062 215 T CA 0.563 62.663 62.100 -0.001 0.000 1.139 215 T CB -0.073 68.795 68.868 -0.000 0.000 0.883 215 T HN 0.412 nan 8.240 nan 0.000 0.468 216 D N 1.121 121.526 120.400 0.009 0.000 2.499 216 D HA 0.617 5.258 4.640 0.001 0.000 0.225 216 D C 1.206 177.521 176.300 0.024 0.000 1.124 216 D CA -0.095 53.913 54.000 0.013 0.000 0.938 216 D CB 0.667 41.472 40.800 0.009 0.000 1.014 216 D HN 0.308 nan 8.370 nan 0.000 0.517 217 A N 3.519 126.360 122.820 0.035 0.000 2.076 217 A HA -0.192 4.129 4.320 0.001 0.000 0.220 217 A C 1.932 179.549 177.584 0.054 0.000 1.160 217 A CA 1.233 53.309 52.037 0.065 0.000 0.653 217 A CB -0.088 18.963 19.000 0.085 0.000 0.801 217 A HN 0.340 nan 8.150 nan 0.000 0.455 218 K N -0.565 119.852 120.400 0.029 0.000 2.525 218 K HA 0.070 4.391 4.320 0.001 0.000 0.192 218 K C 1.046 177.648 176.600 0.004 0.000 1.029 218 K CA 0.782 57.077 56.287 0.013 0.000 1.029 218 K CB 0.017 32.521 32.500 0.006 0.000 0.814 218 K HN 0.390 nan 8.250 nan 0.000 0.503 219 K N -0.121 120.286 120.400 0.012 0.000 2.493 219 K HA 0.181 4.502 4.320 0.001 0.000 0.207 219 K C -0.958 175.648 176.600 0.010 0.000 1.033 219 K CA -0.142 56.147 56.287 0.004 0.000 1.161 219 K CB 0.859 33.362 32.500 0.005 0.000 0.873 219 K HN -0.171 nan 8.250 nan 0.000 0.491 220 V N 1.633 121.558 119.914 0.019 0.000 2.435 220 V HA 0.389 4.510 4.120 0.001 0.000 0.290 220 V C -0.265 175.808 176.094 -0.035 0.000 1.030 220 V CA -0.828 61.493 62.300 0.036 0.000 0.881 220 V CB 1.550 33.446 31.823 0.121 0.000 0.983 220 V HN 0.119 nan 8.190 nan 0.000 0.445 221 I N 4.334 124.860 120.570 -0.073 0.000 2.404 221 I HA 0.460 4.631 4.170 0.001 0.000 0.293 221 I C 0.535 176.581 176.117 -0.118 0.000 0.992 221 I CA -0.075 61.091 61.300 -0.222 0.000 1.149 221 I CB 2.232 39.871 38.000 -0.601 0.000 1.315 221 I HN 0.760 nan 8.210 nan 0.000 0.446 222 T N 0.910 115.385 114.554 -0.131 0.000 2.944 222 T HA 0.653 5.004 4.350 0.001 0.000 0.284 222 T C -0.253 174.440 174.700 -0.012 0.000 1.010 222 T CA -0.697 61.363 62.100 -0.067 0.000 1.025 222 T CB 1.936 70.720 68.868 -0.139 0.000 1.079 222 T HN 0.557 nan 8.240 nan 0.000 0.516 223 T N 2.112 116.699 114.554 0.055 0.000 3.032 223 T HA 0.594 4.944 4.350 0.001 0.000 0.312 223 T C -3.147 171.562 174.700 0.015 0.000 1.078 223 T CA -1.517 60.646 62.100 0.105 0.000 1.028 223 T CB 1.599 70.638 68.868 0.286 0.000 1.091 223 T HN 0.566 nan 8.240 nan 0.000 0.457 224 P HA 0.553 nan 4.420 nan 0.000 0.290 224 P C -1.024 176.246 177.300 -0.050 0.000 1.276 224 P CA -0.544 62.445 63.100 -0.185 0.000 0.808 224 P CB 0.800 32.252 31.700 -0.414 0.000 0.966 225 L N 1.695 122.887 121.223 -0.051 0.000 2.341 225 L HA 0.570 4.911 4.340 0.001 0.000 0.267 225 L C 1.008 177.833 176.870 -0.075 0.000 1.009 225 L CA -0.883 53.932 54.840 -0.041 0.000 0.819 225 L CB 2.094 44.160 42.059 0.011 0.000 1.323 225 L HN 0.337 nan 8.230 nan 0.000 0.425 226 T N -1.973 112.526 114.554 -0.092 0.000 2.849 226 T HA 0.263 4.614 4.350 0.001 0.000 0.284 226 T C 0.905 175.598 174.700 -0.013 0.000 1.004 226 T CA -0.351 61.685 62.100 -0.106 0.000 1.021 226 T CB 1.613 70.395 68.868 -0.145 0.000 1.013 226 T HN 0.495 nan 8.240 nan 0.000 0.527 227 V N -1.538 118.343 119.914 -0.055 0.000 3.471 227 V HA 0.551 4.672 4.120 0.001 0.000 0.258 227 V C 1.358 177.537 176.094 0.141 0.000 1.192 227 V CA 0.767 63.047 62.300 -0.032 0.000 1.116 227 V CB -1.538 30.194 31.823 -0.152 0.000 0.792 227 V HN 1.691 nan 8.190 nan 0.000 0.459 228 G N 0.284 109.118 108.800 0.056 0.000 2.593 228 G HA2 -0.239 3.722 3.960 0.001 0.000 0.237 228 G HA3 -0.239 3.722 3.960 0.001 0.000 0.237 228 G C -0.766 174.123 174.900 -0.018 0.000 1.312 228 G CA 0.348 45.453 45.100 0.009 0.000 0.896 228 G HN 1.477 nan 8.290 nan 0.000 0.574 229 Y N -0.732 119.302 120.300 -0.443 0.000 2.401 229 Y HA 0.668 5.219 4.550 0.001 0.000 0.330 229 Y C -0.661 174.710 175.900 -0.882 0.000 1.071 229 Y CA -1.651 56.162 58.100 -0.478 0.000 1.049 229 Y CB 1.329 39.548 38.460 -0.401 0.000 1.239 229 Y HN 0.571 nan 8.280 nan 0.000 0.437 230 F N 3.911 123.242 119.950 -1.032 0.000 2.777 230 F HA 0.220 4.748 4.527 0.001 0.000 0.361 230 F C 0.505 175.639 175.800 -1.110 0.000 1.254 230 F CA -0.676 56.792 58.000 -0.886 0.000 1.181 230 F CB 0.368 39.243 39.000 -0.209 0.000 1.082 230 F HN 0.634 nan 8.300 nan 0.000 0.510 231 D N 0.952 120.195 120.400 -1.927 0.000 2.792 231 D HA -0.206 4.435 4.640 0.001 0.000 0.231 231 D C 1.480 177.555 176.300 -0.375 0.000 1.160 231 D CA 1.656 55.045 54.000 -1.018 0.000 0.697 231 D CB -0.781 39.803 40.800 -0.360 0.000 1.070 231 D HN 0.779 nan 8.370 nan 0.000 0.426 232 G N -0.787 107.820 108.800 -0.321 0.000 2.268 232 G HA2 -0.440 3.521 3.960 0.001 0.000 0.240 232 G HA3 -0.440 3.521 3.960 0.001 0.000 0.240 232 G C 1.122 175.977 174.900 -0.075 0.000 1.010 232 G CA 0.663 45.693 45.100 -0.117 0.000 0.618 232 G HN 0.550 nan 8.290 nan 0.000 0.516 233 K N 0.955 121.315 120.400 -0.068 0.000 2.280 233 K HA 0.011 4.332 4.320 0.001 0.000 0.202 233 K C 1.879 178.424 176.600 -0.091 0.000 1.047 233 K CA 1.487 57.740 56.287 -0.056 0.000 0.942 233 K CB -0.164 32.315 32.500 -0.034 0.000 0.739 233 K HN 0.640 nan 8.250 nan 0.000 0.457 234 D N -0.126 120.242 120.400 -0.055 0.000 2.347 234 D HA -0.013 4.628 4.640 0.001 0.000 0.215 234 D C 0.998 177.276 176.300 -0.037 0.000 0.976 234 D CA 0.708 54.688 54.000 -0.034 0.000 0.884 234 D CB -0.255 40.581 40.800 0.059 0.000 0.915 234 D HN 0.186 nan 8.370 nan 0.000 0.526 235 G N 0.276 109.051 108.800 -0.040 0.000 2.256 235 G HA2 -0.208 3.752 3.960 0.001 0.000 0.272 235 G HA3 -0.208 3.752 3.960 0.001 0.000 0.272 235 G C -0.359 174.520 174.900 -0.035 0.000 1.076 235 G CA 0.224 45.301 45.100 -0.038 0.000 0.882 235 G HN 0.406 nan 8.290 nan 0.000 0.497 236 L N -0.212 120.994 121.223 -0.029 0.000 2.409 236 L HA 0.434 4.775 4.340 0.001 0.000 0.272 236 L C 0.666 177.527 176.870 -0.014 0.000 0.980 236 L CA -1.225 53.596 54.840 -0.031 0.000 0.826 236 L CB 1.718 43.751 42.059 -0.043 0.000 1.268 236 L HN 0.043 nan 8.230 nan 0.000 0.407 237 K N 2.047 122.437 120.400 -0.017 0.000 2.504 237 K HA -0.132 4.189 4.320 0.001 0.000 0.278 237 K C 0.563 177.169 176.600 0.011 0.000 1.025 237 K CA 0.019 56.304 56.287 -0.003 0.000 1.093 237 K CB 0.848 33.342 32.500 -0.010 0.000 0.873 237 K HN 0.472 nan 8.250 nan 0.000 0.483 238 Q N 3.340 123.160 119.800 0.034 0.000 2.172 238 Q HA -0.176 4.165 4.340 0.001 0.000 0.200 238 Q C 1.043 177.099 176.000 0.092 0.000 0.964 238 Q CA 2.365 58.203 55.803 0.057 0.000 0.855 238 Q CB 0.084 28.864 28.738 0.069 0.000 0.918 238 Q HN 0.780 nan 8.270 nan 0.000 0.444 239 D N -0.507 119.932 120.400 0.065 0.000 2.162 239 D HA 0.092 4.733 4.640 0.001 0.000 0.205 239 D C 0.518 176.866 176.300 0.080 0.000 0.964 239 D CA 0.647 54.681 54.000 0.056 0.000 0.847 239 D CB -0.589 40.206 40.800 -0.008 0.000 0.988 239 D HN 0.283 nan 8.370 nan 0.000 0.480 240 A N 0.463 123.304 122.820 0.034 0.000 2.547 240 A HA 0.052 4.372 4.320 0.001 0.000 0.233 240 A C 0.477 178.082 177.584 0.035 0.000 1.067 240 A CA -0.129 51.909 52.037 0.001 0.000 0.763 240 A CB -0.077 18.908 19.000 -0.025 0.000 1.007 240 A HN 0.354 nan 8.150 nan 0.000 0.506 241 R N 1.748 122.239 120.500 -0.015 0.000 2.308 241 R HA 0.462 4.803 4.340 0.001 0.000 0.325 241 R C -1.142 175.117 176.300 -0.069 0.000 1.161 241 R CA -0.026 56.064 56.100 -0.017 0.000 1.022 241 R CB -0.354 29.916 30.300 -0.050 0.000 1.091 241 R HN 0.652 nan 8.270 nan 0.000 0.497 242 L N 5.358 126.521 121.223 -0.099 0.000 2.333 242 L HA 0.615 4.956 4.340 0.001 0.000 0.269 242 L C -0.535 176.245 176.870 -0.150 0.000 1.010 242 L CA -1.131 53.635 54.840 -0.123 0.000 0.818 242 L CB 1.883 43.867 42.059 -0.126 0.000 1.306 242 L HN 0.498 nan 8.230 nan 0.000 0.430 243 L N 1.439 122.568 121.223 -0.156 0.000 2.424 243 L HA 0.511 4.852 4.340 0.001 0.000 0.258 243 L C -0.733 176.025 176.870 -0.187 0.000 0.995 243 L CA -0.807 53.929 54.840 -0.173 0.000 0.821 243 L CB 2.885 44.840 42.059 -0.174 0.000 1.383 243 L HN 0.506 nan 8.230 nan 0.000 0.410 244 K N 0.962 121.238 120.400 -0.206 0.000 2.130 244 K HA 0.668 4.989 4.320 0.001 0.000 0.268 244 K C -1.280 175.238 176.600 -0.137 0.000 0.983 244 K CA -0.602 55.542 56.287 -0.239 0.000 0.893 244 K CB 2.173 34.386 32.500 -0.478 0.000 1.066 244 K HN 0.223 nan 8.250 nan 0.000 0.450 245 V N 4.880 124.724 119.914 -0.117 0.000 2.444 245 V HA 0.332 4.453 4.120 0.001 0.000 0.294 245 V C -0.329 175.748 176.094 -0.029 0.000 1.022 245 V CA -0.969 61.283 62.300 -0.080 0.000 0.850 245 V CB 1.255 32.998 31.823 -0.133 0.000 0.992 245 V HN 0.610 nan 8.190 nan 0.000 0.426 246 I N 2.995 123.562 120.570 -0.005 0.000 2.577 246 I HA 0.608 4.779 4.170 0.001 0.000 0.305 246 I C 0.479 176.562 176.117 -0.057 0.000 0.986 246 I CA -0.001 61.272 61.300 -0.044 0.000 1.189 246 I CB 1.984 39.948 38.000 -0.061 0.000 1.355 246 I HN 0.588 nan 8.210 nan 0.000 0.476 247 S N 3.647 119.218 115.700 -0.215 0.000 2.568 247 S HA 0.767 5.238 4.470 0.001 0.000 0.293 247 S C -1.371 172.938 174.600 -0.484 0.000 1.089 247 S CA -0.434 57.674 58.200 -0.153 0.000 0.945 247 S CB 1.931 65.196 63.200 0.108 0.000 1.077 247 S HN 0.341 nan 8.310 nan 0.000 0.485 248 Y N 0.590 120.932 120.300 0.070 0.000 2.553 248 Y HA 0.594 5.145 4.550 0.001 0.000 0.347 248 Y C -0.706 175.254 175.900 0.099 0.000 1.019 248 Y CA -1.025 57.151 58.100 0.127 0.000 1.032 248 Y CB 1.110 39.686 38.460 0.194 0.000 1.284 248 Y HN 0.476 nan 8.280 nan 0.000 0.466 249 L N 2.941 124.346 121.223 0.303 0.000 2.264 249 L HA 0.389 4.730 4.340 0.001 0.000 0.289 249 L C -0.471 176.496 176.870 0.162 0.000 1.044 249 L CA -0.297 54.647 54.840 0.173 0.000 0.807 249 L CB 0.486 42.615 42.059 0.117 0.000 1.192 249 L HN 0.571 nan 8.230 nan 0.000 0.425 250 D N 3.787 124.236 120.400 0.082 0.000 2.339 250 D HA 0.103 4.744 4.640 0.001 0.000 0.256 250 D C 0.315 176.607 176.300 -0.012 0.000 1.214 250 D CA 0.175 54.210 54.000 0.059 0.000 0.877 250 D CB 1.302 42.114 40.800 0.019 0.000 1.111 250 D HN 0.398 nan 8.370 nan 0.000 0.478 251 V N 2.934 122.811 119.914 -0.062 0.000 3.477 251 V HA 0.250 4.371 4.120 0.001 0.000 0.297 251 V C 1.568 177.635 176.094 -0.045 0.000 1.433 251 V CA 0.391 62.618 62.300 -0.121 0.000 1.052 251 V CB 0.289 31.895 31.823 -0.362 0.000 0.895 251 V HN 0.890 nan 8.190 nan 0.000 0.438 252 G N 2.126 110.927 108.800 0.001 0.000 2.141 252 G HA2 -0.242 3.719 3.960 0.001 0.000 0.242 252 G HA3 -0.242 3.719 3.960 0.001 0.000 0.242 252 G C 0.413 175.320 174.900 0.012 0.000 0.982 252 G CA 0.463 45.568 45.100 0.009 0.000 0.662 252 G HN 0.667 nan 8.290 nan 0.000 0.527 253 D N -0.147 120.277 120.400 0.039 0.000 2.339 253 D HA 0.358 4.999 4.640 0.001 0.000 0.217 253 D C 1.843 178.122 176.300 -0.036 0.000 1.050 253 D CA 0.612 54.627 54.000 0.025 0.000 0.856 253 D CB -0.579 40.282 40.800 0.102 0.000 0.922 253 D HN 1.549 nan 8.370 nan 0.000 0.518 254 G N 0.858 109.658 108.800 0.001 0.000 2.162 254 G HA2 -0.335 3.625 3.960 0.001 0.000 0.260 254 G HA3 -0.335 3.625 3.960 0.001 0.000 0.260 254 G C 0.239 175.152 174.900 0.021 0.000 0.976 254 G CA 0.278 45.355 45.100 -0.037 0.000 0.655 254 G HN 0.582 nan 8.290 nan 0.000 0.533 255 N N 0.022 118.802 118.700 0.134 0.000 2.765 255 N HA 0.385 5.126 4.740 0.001 0.000 0.277 255 N C 1.076 176.710 175.510 0.207 0.000 1.750 255 N CA -0.465 52.732 53.050 0.246 0.000 0.827 255 N CB -0.154 38.501 38.487 0.280 0.000 1.200 255 N HN 0.401 nan 8.380 nan 0.000 0.494 256 Y N -0.956 119.419 120.300 0.126 0.000 2.333 256 Y HA 0.031 4.582 4.550 0.002 0.000 0.290 256 Y C 1.185 177.098 175.900 0.022 0.000 1.144 256 Y CA 0.516 58.680 58.100 0.108 0.000 1.228 256 Y CB -0.706 37.688 38.460 -0.110 0.000 0.985 256 Y HN 0.242 nan 8.280 nan 0.000 0.542 257 W N 1.289 122.324 121.300 -0.442 0.000 2.359 257 W HA -0.101 4.560 4.660 0.002 0.000 0.275 257 W C 2.286 178.878 176.519 0.123 0.000 1.217 257 W CA 1.273 58.397 57.345 -0.369 0.000 1.196 257 W CB -0.238 28.979 29.460 -0.405 0.000 1.129 257 W HN 0.192 nan 8.180 nan 0.000 0.566 258 A N -0.700 122.273 122.820 0.254 0.000 2.259 258 A HA 0.017 4.338 4.320 0.001 0.000 0.208 258 A C 0.104 177.526 177.584 -0.270 0.000 1.201 258 A CA 0.524 52.652 52.037 0.150 0.000 0.824 258 A CB -0.658 18.278 19.000 -0.107 0.000 0.838 258 A HN 0.357 nan 8.150 nan 0.000 0.485 259 H N -0.108 119.244 119.070 0.472 0.000 2.597 259 H HA 0.211 4.768 4.556 0.001 0.000 0.225 259 H C -3.118 172.435 175.328 0.374 0.000 1.422 259 H CA -1.792 54.476 56.048 0.366 0.000 1.335 259 H CB 0.111 30.049 29.762 0.293 0.000 1.783 259 H HN 0.281 nan 8.280 nan 0.000 0.513 260 P HA 0.167 nan 4.420 nan 0.000 0.275 260 P C 0.448 177.775 177.300 0.046 0.000 1.227 260 P CA -0.297 62.863 63.100 0.099 0.000 0.781 260 P CB 1.552 33.342 31.700 0.151 0.000 0.906 261 I N 1.948 122.472 120.570 -0.077 0.000 2.276 261 I HA 0.177 4.348 4.170 0.001 0.000 0.290 261 I C 1.020 177.113 176.117 -0.041 0.000 1.109 261 I CA -0.517 60.764 61.300 -0.032 0.000 1.229 261 I CB -0.029 37.947 38.000 -0.039 0.000 1.452 261 I HN 0.248 nan 8.210 nan 0.000 0.497 262 E N 4.874 125.085 120.200 0.018 0.000 2.398 262 E HA 0.064 4.415 4.350 0.001 0.000 0.263 262 E C 0.267 176.893 176.600 0.044 0.000 1.046 262 E CA 0.367 56.804 56.400 0.061 0.000 0.908 262 E CB 0.256 30.022 29.700 0.110 0.000 0.963 262 E HN 0.521 nan 8.360 nan 0.000 0.431 263 N N 0.561 119.304 118.700 0.072 0.000 2.747 263 N HA -0.260 4.481 4.740 0.001 0.000 0.249 263 N C -1.166 174.352 175.510 0.014 0.000 1.107 263 N CA 0.185 53.271 53.050 0.060 0.000 0.707 263 N CB -0.917 37.604 38.487 0.058 0.000 1.054 263 N HN 0.165 nan 8.380 nan 0.000 0.555 264 L N 0.807 122.025 121.223 -0.007 0.000 2.372 264 L HA 0.582 4.923 4.340 0.001 0.000 0.273 264 L C -1.058 175.820 176.870 0.012 0.000 0.989 264 L CA -0.813 54.012 54.840 -0.026 0.000 0.841 264 L CB 1.865 43.874 42.059 -0.084 0.000 1.225 264 L HN -0.107 nan 8.230 nan 0.000 0.414 265 V N 4.588 124.514 119.914 0.020 0.000 2.444 265 V HA 0.833 4.954 4.120 0.001 0.000 0.294 265 V C 0.170 176.282 176.094 0.029 0.000 1.022 265 V CA -0.491 61.815 62.300 0.011 0.000 0.850 265 V CB 1.539 33.335 31.823 -0.045 0.000 0.992 265 V HN 0.885 nan 8.190 nan 0.000 0.426 266 A N 4.881 127.737 122.820 0.060 0.000 2.301 266 A HA 0.833 5.154 4.320 0.001 0.000 0.312 266 A C -0.502 177.035 177.584 -0.078 0.000 1.182 266 A CA -0.475 51.584 52.037 0.036 0.000 0.826 266 A CB 1.187 20.232 19.000 0.075 0.000 1.134 266 A HN 0.680 nan 8.150 nan 0.000 0.501 267 V N 2.643 122.504 119.914 -0.090 0.000 2.472 267 V HA 0.476 4.596 4.120 0.001 0.000 0.290 267 V C -0.205 175.826 176.094 -0.105 0.000 1.037 267 V CA -0.451 61.772 62.300 -0.128 0.000 0.908 267 V CB 1.370 33.112 31.823 -0.134 0.000 0.985 267 V HN 0.611 nan 8.190 nan 0.000 0.454 268 V N 3.213 123.055 119.914 -0.120 0.000 2.487 268 V HA 0.382 4.503 4.120 0.001 0.000 0.298 268 V C -0.492 175.542 176.094 -0.101 0.000 1.028 268 V CA -0.589 61.646 62.300 -0.108 0.000 0.860 268 V CB 1.992 33.740 31.823 -0.125 0.000 0.991 268 V HN 0.899 nan 8.190 nan 0.000 0.427 269 D N 3.909 124.259 120.400 -0.082 0.000 2.347 269 D HA 0.297 4.937 4.640 0.001 0.000 0.235 269 D C 0.841 177.097 176.300 -0.072 0.000 1.149 269 D CA -0.053 53.903 54.000 -0.074 0.000 0.850 269 D CB 1.667 42.431 40.800 -0.059 0.000 1.061 269 D HN 0.417 nan 8.370 nan 0.000 0.487 270 L N 3.364 124.540 121.223 -0.077 0.000 2.109 270 L HA -0.104 4.237 4.340 0.001 0.000 0.207 270 L C 2.296 179.129 176.870 -0.062 0.000 1.086 270 L CA 0.579 55.374 54.840 -0.075 0.000 0.760 270 L CB -0.116 41.893 42.059 -0.084 0.000 0.910 270 L HN 0.406 nan 8.230 nan 0.000 0.437 271 E N 0.211 120.374 120.200 -0.062 0.000 2.049 271 E HA -0.342 4.009 4.350 0.001 0.000 0.198 271 E C 2.055 178.630 176.600 -0.042 0.000 1.007 271 E CA 1.595 57.963 56.400 -0.053 0.000 0.809 271 E CB -0.316 29.349 29.700 -0.057 0.000 0.749 271 E HN 0.553 nan 8.360 nan 0.000 0.450 272 Q N 0.436 120.210 119.800 -0.042 0.000 2.378 272 Q HA -0.056 4.285 4.340 0.001 0.000 0.205 272 Q C -0.081 175.898 176.000 -0.035 0.000 0.954 272 Q CA 0.253 56.035 55.803 -0.035 0.000 0.901 272 Q CB 0.168 28.884 28.738 -0.036 0.000 0.981 272 Q HN 0.092 nan 8.270 nan 0.000 0.483 273 K N 0.531 120.906 120.400 -0.042 0.000 3.096 273 K HA -0.192 4.129 4.320 0.001 0.000 0.266 273 K C -0.890 175.683 176.600 -0.046 0.000 1.043 273 K CA 0.728 56.988 56.287 -0.045 0.000 0.758 273 K CB -0.922 31.557 32.500 -0.034 0.000 1.260 273 K HN 0.149 nan 8.250 nan 0.000 0.481 274 K N 0.320 120.690 120.400 -0.050 0.000 2.469 274 K HA 0.429 4.750 4.320 0.001 0.000 0.254 274 K C -0.178 176.390 176.600 -0.054 0.000 0.939 274 K CA -0.865 55.395 56.287 -0.046 0.000 0.812 274 K CB 1.496 33.975 32.500 -0.035 0.000 1.301 274 K HN 0.039 nan 8.250 nan 0.000 0.433 275 I N 3.654 124.195 120.570 -0.049 0.000 2.517 275 I HA -0.067 4.103 4.170 0.001 0.000 0.285 275 I C 1.470 177.568 176.117 -0.032 0.000 1.106 275 I CA -0.017 61.257 61.300 -0.043 0.000 1.402 275 I CB 0.792 38.781 38.000 -0.018 0.000 1.399 275 I HN 0.447 nan 8.210 nan 0.000 0.535 276 V N 2.594 122.483 119.914 -0.042 0.000 3.471 276 V HA 0.245 4.366 4.120 0.001 0.000 0.258 276 V C 0.549 176.623 176.094 -0.034 0.000 1.192 276 V CA 0.391 62.669 62.300 -0.038 0.000 1.116 276 V CB -0.566 31.229 31.823 -0.046 0.000 0.792 276 V HN 0.805 nan 8.190 nan 0.000 0.459 277 K N 0.376 120.756 120.400 -0.033 0.000 2.569 277 K HA 0.527 4.847 4.320 0.001 0.000 0.259 277 K C -2.021 174.569 176.600 -0.017 0.000 0.932 277 K CA -0.714 55.555 56.287 -0.030 0.000 0.833 277 K CB 2.398 34.871 32.500 -0.046 0.000 1.340 277 K HN 0.199 nan 8.250 nan 0.000 0.429 278 I N 4.163 124.730 120.570 -0.005 0.000 2.502 278 I HA 0.181 4.351 4.170 0.001 0.000 0.276 278 I C -0.264 175.846 176.117 -0.011 0.000 1.057 278 I CA -0.637 60.669 61.300 0.010 0.000 1.163 278 I CB 1.475 39.492 38.000 0.028 0.000 1.288 278 I HN 0.473 nan 8.210 nan 0.000 0.479 279 E N 6.673 126.863 120.200 -0.017 0.000 2.265 279 E HA 0.154 4.504 4.350 0.001 0.000 0.272 279 E C -0.479 176.117 176.600 -0.008 0.000 1.067 279 E CA 0.163 56.556 56.400 -0.012 0.000 0.900 279 E CB 0.829 30.525 29.700 -0.007 0.000 1.017 279 E HN 0.530 nan 8.360 nan 0.000 0.431 280 E N 1.603 121.795 120.200 -0.013 0.000 2.256 280 E HA 0.592 4.943 4.350 0.001 0.000 0.267 280 E C -0.076 176.522 176.600 -0.002 0.000 0.892 280 E CA -0.849 55.541 56.400 -0.018 0.000 0.775 280 E CB 2.190 31.867 29.700 -0.038 0.000 1.207 280 E HN 0.519 nan 8.360 nan 0.000 0.420 281 G N 1.317 110.120 108.800 0.006 0.000 3.222 281 G HA2 0.539 4.500 3.960 0.001 0.000 0.263 281 G HA3 0.539 4.500 3.960 0.001 0.000 0.263 281 G C -2.621 172.285 174.900 0.010 0.000 1.312 281 G CA -1.006 44.104 45.100 0.016 0.000 0.934 281 G HN 0.336 nan 8.290 nan 0.000 0.577 282 P HA 0.292 nan 4.420 nan 0.000 0.270 282 P C -0.375 176.932 177.300 0.011 0.000 1.223 282 P CA -0.216 62.891 63.100 0.012 0.000 0.785 282 P CB 1.201 32.911 31.700 0.018 0.000 0.923 283 V N 2.418 122.334 119.914 0.004 0.000 2.498 283 V HA 0.153 4.274 4.120 0.001 0.000 0.279 283 V C 0.414 176.516 176.094 0.013 0.000 1.048 283 V CA -0.170 62.131 62.300 0.001 0.000 0.967 283 V CB 1.366 33.185 31.823 -0.008 0.000 0.988 283 V HN 0.248 nan 8.190 nan 0.000 0.473 284 V N 7.340 127.266 119.914 0.020 0.000 2.531 284 V HA 0.396 4.516 4.120 0.001 0.000 0.301 284 V C -2.305 173.810 176.094 0.035 0.000 1.034 284 V CA -1.901 60.418 62.300 0.031 0.000 0.865 284 V CB 1.966 33.816 31.823 0.044 0.000 0.995 284 V HN 0.769 nan 8.190 nan 0.000 0.424 285 P HA 0.107 nan 4.420 nan 0.000 0.265 285 P C -0.340 177.000 177.300 0.067 0.000 1.193 285 P CA -0.037 63.089 63.100 0.043 0.000 0.765 285 P CB 0.380 32.105 31.700 0.041 0.000 0.823 286 V N 6.392 126.350 119.914 0.074 0.000 2.485 286 V HA 0.057 4.178 4.120 0.001 0.000 0.287 286 V C -1.794 174.390 176.094 0.150 0.000 1.022 286 V CA -1.067 61.301 62.300 0.114 0.000 1.067 286 V CB -0.281 31.607 31.823 0.108 0.000 0.967 286 V HN 0.566 nan 8.190 nan 0.000 0.479 287 P HA 0.152 nan 4.420 nan 0.000 0.262 287 P C 0.448 177.975 177.300 0.379 0.000 1.199 287 P CA 0.210 63.459 63.100 0.249 0.000 0.763 287 P CB 0.430 32.275 31.700 0.242 0.000 0.790 288 M N -0.000 119.762 119.600 0.270 0.000 2.491 288 M HA 0.057 4.538 4.480 0.001 0.000 0.259 288 M C 0.348 176.770 176.300 0.203 0.000 1.163 288 M CA 0.587 55.992 55.300 0.175 0.000 1.109 288 M CB -0.633 32.018 32.600 0.086 0.000 1.353 288 M HN 0.158 nan 8.290 nan 0.000 0.500 289 T N 2.754 117.464 114.554 0.261 0.000 2.866 289 T HA 0.235 4.586 4.350 0.001 0.000 0.293 289 T C 0.499 175.393 174.700 0.322 0.000 1.005 289 T CA -0.164 62.078 62.100 0.237 0.000 1.162 289 T CB 0.420 69.426 68.868 0.231 0.000 0.968 289 T HN 0.357 nan 8.240 nan 0.000 0.530 290 A N 4.721 127.665 122.820 0.207 0.000 2.566 290 A HA 0.190 4.511 4.320 0.001 0.000 0.245 290 A C 0.840 178.530 177.584 0.177 0.000 1.056 290 A CA 0.086 52.238 52.037 0.192 0.000 0.757 290 A CB 0.072 19.128 19.000 0.094 0.000 0.979 290 A HN 0.753 nan 8.150 nan 0.000 0.508 291 R N 3.432 124.038 120.500 0.176 0.000 2.681 291 R HA 0.234 4.575 4.340 0.001 0.000 0.277 291 R C -2.996 173.294 176.300 -0.018 0.000 1.563 291 R CA -1.399 54.731 56.100 0.050 0.000 1.673 291 R CB 1.227 31.536 30.300 0.015 0.000 1.258 291 R HN 0.568 nan 8.270 nan 0.000 0.650 292 P HA 0.037 nan 4.420 nan 0.000 0.271 292 P C 0.190 177.401 177.300 -0.149 0.000 1.216 292 P CA -0.091 62.917 63.100 -0.153 0.000 0.776 292 P CB 0.337 31.946 31.700 -0.151 0.000 0.881 293 F N 0.440 120.314 119.950 -0.127 0.000 2.695 293 F HA 0.216 4.744 4.527 0.001 0.000 0.303 293 F C 0.987 176.728 175.800 -0.099 0.000 1.091 293 F CA -0.260 57.650 58.000 -0.150 0.000 1.300 293 F CB -0.682 38.199 39.000 -0.199 0.000 1.071 293 F HN 0.109 nan 8.300 nan 0.000 0.578 294 D N -0.154 120.019 120.400 -0.379 0.000 2.349 294 D HA 0.198 4.839 4.640 0.001 0.000 0.214 294 D C 1.838 178.070 176.300 -0.113 0.000 1.063 294 D CA 0.435 54.297 54.000 -0.230 0.000 0.847 294 D CB -0.033 40.549 40.800 -0.364 0.000 0.933 294 D HN 0.409 nan 8.370 nan 0.000 0.513 295 G N 1.918 110.663 108.800 -0.093 0.000 2.159 295 G HA2 -0.435 3.526 3.960 0.001 0.000 0.256 295 G HA3 -0.435 3.526 3.960 0.001 0.000 0.256 295 G C 1.215 176.081 174.900 -0.057 0.000 0.977 295 G CA 0.492 45.559 45.100 -0.055 0.000 0.652 295 G HN 0.585 nan 8.290 nan 0.000 0.531 296 R N 0.468 120.920 120.500 -0.080 0.000 2.139 296 R HA -0.103 4.238 4.340 0.001 0.000 0.243 296 R C 1.472 177.748 176.300 -0.041 0.000 1.145 296 R CA 2.091 58.154 56.100 -0.063 0.000 0.976 296 R CB -0.446 29.809 30.300 -0.076 0.000 0.866 296 R HN 0.459 nan 8.270 nan 0.000 0.449 297 D N -0.309 120.068 120.400 -0.038 0.000 2.402 297 D HA 0.091 4.732 4.640 0.001 0.000 0.216 297 D C -0.153 176.139 176.300 -0.014 0.000 1.128 297 D CA -0.332 53.655 54.000 -0.020 0.000 0.833 297 D CB 0.228 41.020 40.800 -0.014 0.000 0.971 297 D HN 0.005 nan 8.370 nan 0.000 0.503 298 R N 0.165 120.655 120.500 -0.018 0.000 2.778 298 R HA 0.509 4.849 4.340 0.001 0.000 0.277 298 R C -0.559 175.736 176.300 -0.008 0.000 0.977 298 R CA -1.061 55.032 56.100 -0.011 0.000 0.950 298 R CB 1.988 32.281 30.300 -0.012 0.000 1.165 298 R HN -0.109 nan 8.270 nan 0.000 0.474 299 V N 2.073 121.985 119.914 -0.003 0.000 2.470 299 V HA 0.163 4.284 4.120 0.001 0.000 0.276 299 V C 0.748 176.840 176.094 -0.002 0.000 1.040 299 V CA -0.661 61.638 62.300 -0.002 0.000 1.008 299 V CB 0.941 32.764 31.823 0.001 0.000 0.990 299 V HN 0.835 nan 8.190 nan 0.000 0.477 300 A N 8.603 131.421 122.820 -0.003 0.000 2.515 300 A HA 0.460 4.781 4.320 0.001 0.000 0.263 300 A C -1.344 176.240 177.584 -0.000 0.000 1.096 300 A CA -0.701 51.334 52.037 -0.002 0.000 0.769 300 A CB -0.491 18.508 19.000 -0.003 0.000 1.040 300 A HN 0.757 nan 8.150 nan 0.000 0.505 301 P HA 0.461 nan 4.420 nan 0.000 0.282 301 P C -0.463 176.838 177.300 0.002 0.000 1.249 301 P CA -0.329 62.772 63.100 0.002 0.000 0.806 301 P CB 1.320 33.021 31.700 0.002 0.000 0.984 302 A N 2.640 125.461 122.820 0.002 0.000 2.396 302 A HA 0.457 4.778 4.320 0.001 0.000 0.279 302 A C -0.045 177.540 177.584 0.002 0.000 1.165 302 A CA -0.302 51.737 52.037 0.002 0.000 0.824 302 A CB -0.283 18.718 19.000 0.002 0.000 1.100 302 A HN 0.369 nan 8.150 nan 0.000 0.516 303 V N 3.924 123.840 119.914 0.002 0.000 2.604 303 V HA 0.276 4.397 4.120 0.001 0.000 0.305 303 V C 0.218 176.313 176.094 0.001 0.000 1.043 303 V CA -0.909 61.391 62.300 0.001 0.000 0.888 303 V CB 1.769 33.592 31.823 0.001 0.000 0.995 303 V HN 0.945 nan 8.190 nan 0.000 0.429 304 K N 4.492 124.892 120.400 -0.000 0.000 2.295 304 K HA 0.358 4.679 4.320 0.001 0.000 0.270 304 K C -2.121 174.480 176.600 0.001 0.000 1.011 304 K CA -1.042 55.245 56.287 -0.001 0.000 0.953 304 K CB 0.425 32.922 32.500 -0.004 0.000 0.956 304 K HN 0.532 nan 8.250 nan 0.000 0.477 305 P HA 0.081 nan 4.420 nan 0.000 0.274 305 P C -1.086 176.217 177.300 0.005 0.000 1.231 305 P CA -0.252 62.852 63.100 0.007 0.000 0.790 305 P CB 0.757 32.465 31.700 0.013 0.000 0.951 306 M N 1.667 121.271 119.600 0.007 0.000 2.263 306 M HA 0.290 4.771 4.480 0.001 0.000 0.295 306 M C -1.501 174.808 176.300 0.014 0.000 1.028 306 M CA -0.357 54.946 55.300 0.005 0.000 0.921 306 M CB 2.123 34.722 32.600 -0.002 0.000 1.601 306 M HN 0.312 nan 8.290 nan 0.000 0.440 307 Q N 4.745 124.558 119.800 0.022 0.000 2.353 307 Q HA 0.585 4.926 4.340 0.001 0.000 0.268 307 Q C -1.337 174.684 176.000 0.035 0.000 1.045 307 Q CA -0.664 55.162 55.803 0.039 0.000 0.811 307 Q CB 3.153 31.932 28.738 0.068 0.000 1.305 307 Q HN 0.732 nan 8.270 nan 0.000 0.447 308 I N 4.463 125.056 120.570 0.039 0.000 2.307 308 I HA 0.363 4.534 4.170 0.001 0.000 0.289 308 I C -0.133 176.023 176.117 0.066 0.000 1.021 308 I CA -0.525 60.800 61.300 0.040 0.000 1.224 308 I CB 0.406 38.429 38.000 0.038 0.000 1.376 308 I HN 0.484 nan 8.210 nan 0.000 0.470 309 I N 2.559 123.157 120.570 0.045 0.000 2.530 309 I HA 0.604 4.775 4.170 0.001 0.000 0.297 309 I C -0.773 175.311 176.117 -0.055 0.000 1.011 309 I CA -0.537 60.782 61.300 0.032 0.000 1.107 309 I CB 2.059 40.079 38.000 0.033 0.000 1.285 309 I HN 0.514 nan 8.210 nan 0.000 0.436 310 E N 6.292 126.443 120.200 -0.081 0.000 2.873 310 E HA 0.266 4.617 4.350 0.001 0.000 0.232 310 E C -2.160 174.304 176.600 -0.227 0.000 1.123 310 E CA -1.491 54.845 56.400 -0.106 0.000 0.809 310 E CB 1.434 31.126 29.700 -0.013 0.000 1.366 310 E HN 0.563 nan 8.360 nan 0.000 0.400 311 P HA -0.042 nan 4.420 nan 0.000 0.241 311 P C 0.271 177.421 177.300 -0.251 0.000 1.191 311 P CA 0.662 63.291 63.100 -0.784 0.000 0.771 311 P CB 0.410 31.520 31.700 -0.984 0.000 0.929 312 E N -0.123 119.994 120.200 -0.139 0.000 2.499 312 E HA 0.377 4.728 4.350 0.001 0.000 0.199 312 E C 0.757 177.339 176.600 -0.030 0.000 1.016 312 E CA -0.152 56.216 56.400 -0.054 0.000 0.933 312 E CB 0.189 29.858 29.700 -0.051 0.000 1.050 312 E HN 0.162 nan 8.360 nan 0.000 0.462 313 G N 1.520 110.305 108.800 -0.025 0.000 2.660 313 G HA2 -0.192 3.769 3.960 0.001 0.000 0.247 313 G HA3 -0.192 3.769 3.960 0.001 0.000 0.247 313 G C -0.801 174.043 174.900 -0.093 0.000 1.328 313 G CA -0.929 44.154 45.100 -0.030 0.000 0.884 313 G HN -0.021 nan 8.290 nan 0.000 0.531 314 K N 0.168 120.452 120.400 -0.194 0.000 2.095 314 K HA 0.384 4.704 4.320 0.001 0.000 0.252 314 K C 1.148 177.581 176.600 -0.279 0.000 0.977 314 K CA -0.623 55.426 56.287 -0.396 0.000 0.900 314 K CB 0.865 32.760 32.500 -1.008 0.000 1.060 314 K HN 0.559 nan 8.250 nan 0.000 0.449 315 N N 0.037 118.643 118.700 -0.157 0.000 2.515 315 N HA -0.052 4.689 4.740 0.001 0.000 0.185 315 N C -0.406 175.202 175.510 0.163 0.000 1.109 315 N CA 0.415 53.495 53.050 0.050 0.000 0.903 315 N CB -0.110 38.489 38.487 0.186 0.000 0.969 315 N HN 0.483 nan 8.380 nan 0.000 0.450 316 Y N -1.960 118.467 120.300 0.213 0.000 2.528 316 Y HA 0.713 5.264 4.550 0.001 0.000 0.335 316 Y C -0.268 175.645 175.900 0.021 0.000 1.093 316 Y CA -1.254 56.936 58.100 0.149 0.000 1.134 316 Y CB 0.896 39.406 38.460 0.084 0.000 1.253 316 Y HN -0.334 nan 8.280 nan 0.000 0.478 317 T N 3.446 118.120 114.554 0.199 0.000 2.861 317 T HA 0.567 4.918 4.350 0.001 0.000 0.287 317 T C -0.709 173.978 174.700 -0.022 0.000 1.003 317 T CA -0.613 61.521 62.100 0.055 0.000 0.977 317 T CB 1.063 69.979 68.868 0.081 0.000 0.996 317 T HN 0.584 nan 8.240 nan 0.000 0.448 318 I N 2.901 123.365 120.570 -0.177 0.000 2.390 318 I HA 0.291 4.462 4.170 0.001 0.000 0.283 318 I C -0.109 175.957 176.117 -0.084 0.000 1.016 318 I CA -0.647 60.519 61.300 -0.223 0.000 1.151 318 I CB 1.376 39.099 38.000 -0.461 0.000 1.293 318 I HN 0.531 nan 8.210 nan 0.000 0.458 319 T N 5.184 119.723 114.554 -0.024 0.000 2.853 319 T HA 0.481 4.832 4.350 0.001 0.000 0.317 319 T C 0.900 175.634 174.700 0.057 0.000 1.059 319 T CA 0.176 62.301 62.100 0.042 0.000 0.954 319 T CB 1.329 70.224 68.868 0.044 0.000 0.994 319 T HN 1.023 nan 8.240 nan 0.000 0.479 320 G N 4.248 113.102 108.800 0.089 0.000 2.634 320 G HA2 -0.306 3.655 3.960 0.001 0.000 0.318 320 G HA3 -0.306 3.655 3.960 0.001 0.000 0.318 320 G C 0.378 175.292 174.900 0.023 0.000 1.207 320 G CA 0.503 45.649 45.100 0.077 0.000 0.987 320 G HN 0.634 nan 8.290 nan 0.000 0.547 321 D N 1.401 121.767 120.400 -0.056 0.000 2.368 321 D HA 0.284 4.925 4.640 0.001 0.000 0.218 321 D C 1.035 177.131 176.300 -0.341 0.000 1.112 321 D CA 0.188 54.046 54.000 -0.238 0.000 0.834 321 D CB 0.149 40.689 40.800 -0.433 0.000 0.953 321 D HN 0.374 nan 8.370 nan 0.000 0.505 322 M N 0.853 120.353 119.600 -0.167 0.000 2.264 322 M HA 0.392 4.873 4.480 0.001 0.000 0.352 322 M C -0.106 176.034 176.300 -0.267 0.000 1.173 322 M CA -0.219 54.976 55.300 -0.176 0.000 1.075 322 M CB 2.295 34.909 32.600 0.024 0.000 1.621 322 M HN -0.306 nan 8.290 nan 0.000 0.457 323 I N 1.776 122.038 120.570 -0.515 0.000 2.433 323 I HA 0.301 4.472 4.170 0.001 0.000 0.292 323 I C -0.833 175.027 176.117 -0.429 0.000 1.001 323 I CA -0.747 60.189 61.300 -0.607 0.000 1.119 323 I CB 1.650 38.960 38.000 -1.150 0.000 1.289 323 I HN 0.665 nan 8.210 nan 0.000 0.438 324 H N 5.717 124.669 119.070 -0.196 0.000 2.505 324 H HA 0.474 5.031 4.556 0.001 0.000 0.338 324 H C -1.941 173.485 175.328 0.162 0.000 1.057 324 H CA -0.558 55.472 56.048 -0.030 0.000 1.202 324 H CB 1.341 31.100 29.762 -0.005 0.000 1.466 324 H HN 0.587 nan 8.280 nan 0.000 0.499 325 W N 8.653 129.528 121.300 -0.709 0.000 3.216 325 W HA 0.373 5.034 4.660 0.002 0.000 0.335 325 W C -0.528 175.832 176.519 -0.264 0.000 1.077 325 W CA -0.574 56.559 57.345 -0.352 0.000 1.252 325 W CB 0.654 30.086 29.460 -0.047 0.000 1.312 325 W HN 0.932 nan 8.180 nan 0.000 0.446 326 R N 2.736 122.805 120.500 -0.718 0.000 3.812 326 R HA -0.391 3.950 4.340 0.001 0.000 0.448 326 R C 0.523 176.562 176.300 -0.436 0.000 0.241 326 R CA 2.244 57.968 56.100 -0.625 0.000 1.418 326 R CB -1.257 28.498 30.300 -0.908 0.000 0.951 326 R HN 0.765 nan 8.270 nan 0.000 0.584 327 N N -0.284 118.098 118.700 -0.531 0.000 2.280 327 N HA 0.094 4.835 4.740 0.001 0.000 0.192 327 N C -0.242 174.910 175.510 -0.596 0.000 1.109 327 N CA -0.147 52.495 53.050 -0.681 0.000 0.855 327 N CB 0.159 37.875 38.487 -1.284 0.000 0.974 327 N HN 0.211 nan 8.380 nan 0.000 0.482 328 W N 1.356 122.557 121.300 -0.165 0.000 2.449 328 W HA 0.366 5.027 4.660 0.002 0.000 0.331 328 W C -0.075 176.492 176.519 0.080 0.000 1.119 328 W CA -0.592 56.797 57.345 0.073 0.000 1.240 328 W CB 0.981 30.588 29.460 0.246 0.000 1.251 328 W HN -0.166 nan 8.180 nan 0.000 0.576 329 D N 2.178 122.868 120.400 0.484 0.000 2.819 329 D HA 0.519 5.160 4.640 0.001 0.000 0.232 329 D C -0.997 175.524 176.300 0.368 0.000 1.160 329 D CA -0.326 53.853 54.000 0.299 0.000 0.858 329 D CB 2.566 43.538 40.800 0.286 0.000 1.610 329 D HN 0.254 nan 8.370 nan 0.000 0.481 330 F N -1.287 118.702 119.950 0.066 0.000 2.858 330 F HA 0.399 4.927 4.527 0.001 0.000 0.319 330 F C -1.709 174.064 175.800 -0.044 0.000 1.166 330 F CA -0.982 57.022 58.000 0.006 0.000 0.899 330 F CB 1.691 40.621 39.000 -0.117 0.000 1.332 330 F HN 0.231 nan 8.300 nan 0.000 0.461 331 H N 1.799 120.891 119.070 0.038 0.000 2.538 331 H HA 0.721 5.278 4.556 0.001 0.000 0.353 331 H C -2.177 173.081 175.328 -0.116 0.000 1.109 331 H CA -0.812 55.112 56.048 -0.207 0.000 1.192 331 H CB 2.247 31.702 29.762 -0.512 0.000 1.555 331 H HN 0.833 nan 8.280 nan 0.000 0.518 332 L N 4.589 125.416 121.223 -0.660 0.000 2.349 332 L HA 0.398 4.739 4.340 0.001 0.000 0.278 332 L C -0.902 175.657 176.870 -0.518 0.000 0.996 332 L CA -0.159 54.435 54.840 -0.409 0.000 0.825 332 L CB 1.361 43.285 42.059 -0.226 0.000 1.243 332 L HN 0.752 nan 8.230 nan 0.000 0.412 333 S N 3.990 119.491 115.700 -0.332 0.000 2.697 333 S HA 0.868 5.339 4.470 0.001 0.000 0.289 333 S C -0.837 173.626 174.600 -0.228 0.000 1.149 333 S CA -0.900 57.157 58.200 -0.238 0.000 0.850 333 S CB 1.717 64.850 63.200 -0.111 0.000 1.151 333 S HN 0.634 nan 8.310 nan 0.000 0.491 334 M N 2.641 122.133 119.600 -0.180 0.000 2.326 334 M HA 0.497 4.978 4.480 0.001 0.000 0.306 334 M C -1.277 174.937 176.300 -0.144 0.000 1.054 334 M CA -0.408 54.770 55.300 -0.202 0.000 0.922 334 M CB 1.732 34.241 32.600 -0.151 0.000 1.632 334 M HN 0.871 nan 8.290 nan 0.000 0.436 335 N N 1.713 120.315 118.700 -0.163 0.000 2.314 335 N HA 0.302 5.043 4.740 0.001 0.000 0.304 335 N C 0.174 175.656 175.510 -0.046 0.000 1.073 335 N CA 0.168 53.167 53.050 -0.084 0.000 0.822 335 N CB 1.783 40.224 38.487 -0.077 0.000 1.280 335 N HN 0.878 nan 8.380 nan 0.000 0.489 336 S N 3.210 118.917 115.700 0.011 0.000 2.423 336 S HA -0.134 4.337 4.470 0.001 0.000 0.231 336 S C 1.760 176.408 174.600 0.081 0.000 1.014 336 S CA 0.673 58.910 58.200 0.060 0.000 0.965 336 S CB -0.042 63.205 63.200 0.078 0.000 0.785 336 S HN 0.742 nan 8.310 nan 0.000 0.495 337 R N 1.027 121.556 120.500 0.050 0.000 2.057 337 R HA 0.062 4.403 4.340 0.001 0.000 0.224 337 R C 2.057 178.398 176.300 0.069 0.000 1.136 337 R CA 1.594 57.718 56.100 0.039 0.000 0.968 337 R CB -0.176 30.089 30.300 -0.059 0.000 0.863 337 R HN 0.472 nan 8.270 nan 0.000 0.433 338 V N -1.965 117.969 119.914 0.034 0.000 3.621 338 V HA 0.454 4.575 4.120 0.001 0.000 0.285 338 V C 0.822 176.752 176.094 -0.273 0.000 1.346 338 V CA 0.296 62.588 62.300 -0.013 0.000 1.104 338 V CB -0.163 31.673 31.823 0.022 0.000 0.913 338 V HN 0.641 nan 8.190 nan 0.000 0.432 339 G N 1.503 110.075 108.800 -0.380 0.000 2.512 339 G HA2 -0.206 3.755 3.960 0.001 0.000 0.254 339 G HA3 -0.206 3.755 3.960 0.001 0.000 0.254 339 G C -2.460 171.977 174.900 -0.772 0.000 1.199 339 G CA -0.096 44.424 45.100 -0.967 0.000 0.941 339 G HN 0.633 nan 8.290 nan 0.000 0.569 340 P HA 0.387 nan 4.420 nan 0.000 0.269 340 P C -0.359 176.632 177.300 -0.515 0.000 1.209 340 P CA 0.498 63.228 63.100 -0.617 0.000 0.776 340 P CB 0.554 31.913 31.700 -0.568 0.000 0.876 341 M N 2.766 122.096 119.600 -0.449 0.000 2.263 341 M HA 0.381 4.862 4.480 0.001 0.000 0.295 341 M C -0.645 175.385 176.300 -0.451 0.000 1.028 341 M CA -0.914 54.123 55.300 -0.439 0.000 0.921 341 M CB 2.148 34.566 32.600 -0.303 0.000 1.601 341 M HN 0.099 nan 8.290 nan 0.000 0.440 342 I N 2.383 122.602 120.570 -0.586 0.000 2.336 342 I HA 0.505 4.676 4.170 0.001 0.000 0.292 342 I C -0.018 175.907 176.117 -0.320 0.000 0.991 342 I CA -0.168 60.860 61.300 -0.454 0.000 1.227 342 I CB 1.154 38.757 38.000 -0.662 0.000 1.366 342 I HN 0.632 nan 8.210 nan 0.000 0.466 343 S N 2.699 118.291 115.700 -0.180 0.000 2.627 343 S HA 0.522 4.993 4.470 0.001 0.000 0.283 343 S C -0.241 174.248 174.600 -0.185 0.000 1.127 343 S CA -0.711 57.305 58.200 -0.307 0.000 0.863 343 S CB 1.860 64.820 63.200 -0.400 0.000 1.121 343 S HN 0.810 nan 8.310 nan 0.000 0.479 344 T N -1.415 112.890 114.554 -0.415 0.000 3.287 344 T HA -0.150 4.200 4.350 0.001 0.000 0.428 344 T C -0.211 174.643 174.700 0.256 0.000 0.770 344 T CA -0.004 61.913 62.100 -0.306 0.000 2.165 344 T CB -2.379 66.398 68.868 -0.151 0.000 1.677 344 T HN 0.505 nan 8.240 nan 0.000 0.633 345 V N 3.208 123.354 119.914 0.386 0.000 2.364 345 V HA 0.694 4.815 4.120 0.001 0.000 0.272 345 V C 1.070 177.559 176.094 0.658 0.000 1.036 345 V CA 0.088 62.695 62.300 0.510 0.000 0.880 345 V CB 1.286 33.338 31.823 0.382 0.000 0.991 345 V HN 1.043 nan 8.190 nan 0.000 0.460 346 T N 2.005 116.943 114.554 0.639 0.000 2.924 346 T HA 0.665 5.016 4.350 0.001 0.000 0.291 346 T C -1.138 173.869 174.700 0.512 0.000 1.045 346 T CA -0.751 61.669 62.100 0.534 0.000 1.015 346 T CB 1.918 71.025 68.868 0.397 0.000 1.103 346 T HN 0.395 nan 8.240 nan 0.000 0.496 347 Y N 1.974 122.410 120.300 0.226 0.000 2.341 347 Y HA 0.519 5.069 4.550 0.001 0.000 0.338 347 Y C -0.151 175.802 175.900 0.088 0.000 0.965 347 Y CA -1.063 57.034 58.100 -0.005 0.000 1.108 347 Y CB 1.519 39.934 38.460 -0.074 0.000 1.180 347 Y HN 0.862 nan 8.280 nan 0.000 0.458 348 N N 4.632 123.223 118.700 -0.181 0.000 2.448 348 N HA 0.039 4.779 4.740 0.001 0.000 0.250 348 N C -1.402 174.150 175.510 0.070 0.000 1.136 348 N CA -0.071 52.964 53.050 -0.024 0.000 0.953 348 N CB 0.211 38.660 38.487 -0.063 0.000 1.251 348 N HN 0.542 nan 8.380 nan 0.000 0.502 349 D N 3.245 123.804 120.400 0.265 0.000 2.411 349 D HA 0.154 4.795 4.640 0.001 0.000 0.225 349 D C -0.353 176.028 176.300 0.136 0.000 1.156 349 D CA -0.005 54.173 54.000 0.297 0.000 0.874 349 D CB -0.641 40.376 40.800 0.361 0.000 1.034 349 D HN 0.715 nan 8.370 nan 0.000 0.502 350 N N 2.889 121.639 118.700 0.084 0.000 2.710 350 N HA -0.278 4.463 4.740 0.001 0.000 0.249 350 N C 0.912 176.437 175.510 0.026 0.000 1.059 350 N CA 0.555 53.629 53.050 0.040 0.000 0.720 350 N CB -0.677 37.834 38.487 0.041 0.000 0.983 350 N HN 0.702 nan 8.380 nan 0.000 0.544 351 G N -2.400 106.415 108.800 0.024 0.000 2.259 351 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 351 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 351 G C 0.131 175.043 174.900 0.020 0.000 1.001 351 G CA 0.180 45.287 45.100 0.012 0.000 0.627 351 G HN 0.354 nan 8.290 nan 0.000 0.501 352 T N 2.707 117.282 114.554 0.036 0.000 2.744 352 T HA 0.496 4.847 4.350 0.001 0.000 0.291 352 T C 0.156 174.896 174.700 0.067 0.000 0.957 352 T CA -0.230 61.891 62.100 0.035 0.000 1.002 352 T CB 1.449 70.329 68.868 0.020 0.000 0.919 352 T HN 0.269 nan 8.240 nan 0.000 0.468 353 K N 3.983 124.420 120.400 0.061 0.000 2.349 353 K HA 0.233 4.554 4.320 0.001 0.000 0.289 353 K C 0.282 176.937 176.600 0.092 0.000 1.064 353 K CA -0.087 56.260 56.287 0.101 0.000 0.947 353 K CB 0.718 33.281 32.500 0.104 0.000 1.007 353 K HN 0.391 nan 8.250 nan 0.000 0.478 354 R N 2.821 123.421 120.500 0.168 0.000 2.460 354 R HA 0.230 4.571 4.340 0.001 0.000 0.303 354 R C -0.307 176.109 176.300 0.195 0.000 0.968 354 R CA -0.829 55.356 56.100 0.141 0.000 0.889 354 R CB 1.557 31.967 30.300 0.184 0.000 1.123 354 R HN 0.344 nan 8.270 nan 0.000 0.455 355 K N 1.044 121.461 120.400 0.028 0.000 2.326 355 K HA 0.098 4.418 4.320 0.001 0.000 0.275 355 K C 0.309 177.036 176.600 0.211 0.000 1.018 355 K CA -0.162 56.104 56.287 -0.035 0.000 0.962 355 K CB 1.092 33.340 32.500 -0.419 0.000 0.953 355 K HN 0.311 nan 8.250 nan 0.000 0.475 356 V N 1.763 121.849 119.914 0.287 0.000 3.103 356 V HA 0.166 4.286 4.120 0.001 0.000 0.229 356 V C -0.141 176.032 176.094 0.132 0.000 1.304 356 V CA -0.004 62.371 62.300 0.124 0.000 1.298 356 V CB 0.482 32.390 31.823 0.142 0.000 1.093 356 V HN 0.751 nan 8.190 nan 0.000 0.489 357 M N -1.134 118.656 119.600 0.317 0.000 2.238 357 M HA 0.356 4.837 4.480 0.001 0.000 0.278 357 M C -0.154 176.339 176.300 0.321 0.000 1.040 357 M CA -0.557 54.886 55.300 0.237 0.000 0.969 357 M CB 2.108 34.753 32.600 0.076 0.000 1.694 357 M HN 0.255 nan 8.290 nan 0.000 0.472 358 Y N 3.780 124.187 120.300 0.179 0.000 2.133 358 Y HA 0.175 4.726 4.550 0.001 0.000 0.287 358 Y C -0.237 175.528 175.900 -0.225 0.000 1.134 358 Y CA 1.734 59.738 58.100 -0.160 0.000 1.133 358 Y CB 0.526 38.881 38.460 -0.176 0.000 0.987 358 Y HN 0.645 nan 8.280 nan 0.000 0.502 359 E N -1.240 118.782 120.200 -0.297 0.000 2.321 359 E HA 0.515 4.865 4.350 0.001 0.000 0.278 359 E C -1.264 175.206 176.600 -0.217 0.000 0.902 359 E CA -0.414 55.770 56.400 -0.359 0.000 0.758 359 E CB 1.959 31.460 29.700 -0.332 0.000 1.213 359 E HN 0.287 nan 8.360 nan 0.000 0.426 360 G N 0.890 109.524 108.800 -0.276 0.000 2.662 360 G HA2 0.632 4.593 3.960 0.001 0.000 0.302 360 G HA3 0.632 4.593 3.960 0.001 0.000 0.302 360 G C -0.917 173.801 174.900 -0.303 0.000 1.389 360 G CA -0.391 44.590 45.100 -0.198 0.000 0.998 360 G HN 0.465 nan 8.290 nan 0.000 0.502 361 S N 0.982 116.678 115.700 -0.006 0.000 2.636 361 S HA 0.614 5.084 4.470 0.001 0.000 0.266 361 S C -1.071 173.728 174.600 0.333 0.000 1.147 361 S CA -0.834 57.397 58.200 0.052 0.000 0.815 361 S CB 1.158 64.270 63.200 -0.146 0.000 1.119 361 S HN 1.427 nan 8.310 nan 0.000 0.470 362 L N 2.021 123.412 121.223 0.280 0.000 2.485 362 L HA 0.571 4.912 4.340 0.001 0.000 0.275 362 L C 1.268 178.120 176.870 -0.031 0.000 1.207 362 L CA 1.388 56.252 54.840 0.039 0.000 0.855 362 L CB 0.271 42.231 42.059 -0.165 0.000 1.114 362 L HN 1.013 nan 8.230 nan 0.000 0.485 363 G N 2.784 111.525 108.800 -0.098 0.000 2.471 363 G HA2 0.471 4.432 3.960 0.001 0.000 0.211 363 G HA3 0.471 4.432 3.960 0.001 0.000 0.211 363 G C 0.376 175.277 174.900 0.002 0.000 1.194 363 G CA 0.495 45.594 45.100 -0.001 0.000 0.816 363 G HN 1.114 nan 8.290 nan 0.000 0.545 364 G N -1.102 107.599 108.800 -0.165 0.000 2.523 364 G HA2 0.566 4.527 3.960 0.001 0.000 0.291 364 G HA3 0.566 4.527 3.960 0.001 0.000 0.291 364 G C -1.105 173.704 174.900 -0.151 0.000 1.450 364 G CA -0.337 44.662 45.100 -0.169 0.000 0.790 364 G HN 0.800 nan 8.290 nan 0.000 0.496 365 M N -0.756 118.837 119.600 -0.012 0.000 2.569 365 M HA 0.905 5.386 4.480 0.001 0.000 0.279 365 M C -1.854 174.544 176.300 0.162 0.000 1.253 365 M CA -1.084 54.261 55.300 0.075 0.000 0.867 365 M CB 2.739 35.326 32.600 -0.021 0.000 1.727 365 M HN 0.757 nan 8.290 nan 0.000 0.467 366 I N 1.710 122.363 120.570 0.138 0.000 2.656 366 I HA 0.624 4.795 4.170 0.001 0.000 0.292 366 I C -1.807 174.340 176.117 0.051 0.000 1.144 366 I CA -0.727 60.659 61.300 0.143 0.000 1.038 366 I CB 2.461 40.564 38.000 0.171 0.000 1.244 366 I HN 0.650 nan 8.210 nan 0.000 0.420 367 V N 8.975 128.955 119.914 0.110 0.000 2.250 367 V HA 0.430 4.551 4.120 0.001 0.000 0.268 367 V C -2.328 173.800 176.094 0.056 0.000 1.043 367 V CA -1.227 61.074 62.300 0.002 0.000 0.814 367 V CB 0.682 32.522 31.823 0.029 0.000 1.072 367 V HN 0.552 nan 8.190 nan 0.000 0.451 368 P HA 0.383 nan 4.420 nan 0.000 0.290 368 P C -1.162 176.162 177.300 0.040 0.000 1.276 368 P CA -0.364 62.875 63.100 0.231 0.000 0.808 368 P CB 1.214 33.216 31.700 0.503 0.000 0.966 369 Y N 0.626 121.072 120.300 0.243 0.000 2.374 369 Y HA 0.489 5.040 4.550 0.002 0.000 0.322 369 Y C 1.932 177.878 175.900 0.076 0.000 1.275 369 Y CA 0.308 58.516 58.100 0.180 0.000 1.307 369 Y CB 0.970 39.584 38.460 0.257 0.000 1.282 369 Y HN 0.476 nan 8.280 nan 0.000 0.509 370 G N -0.057 108.814 108.800 0.118 0.000 3.453 370 G HA2 0.010 3.971 3.960 0.001 0.000 0.263 370 G HA3 0.010 3.971 3.960 0.001 0.000 0.263 370 G C -0.694 174.132 174.900 -0.123 0.000 1.060 370 G CA -0.059 45.014 45.100 -0.046 0.000 0.793 370 G HN 0.490 nan 8.290 nan 0.000 0.532 371 D N 0.884 121.204 120.400 -0.134 0.000 2.256 371 D HA 0.292 4.933 4.640 0.001 0.000 0.240 371 D C -1.699 174.458 176.300 -0.238 0.000 1.062 371 D CA -2.016 51.701 54.000 -0.472 0.000 0.832 371 D CB 2.991 43.512 40.800 -0.464 0.000 1.135 371 D HN 0.002 nan 8.370 nan 0.000 0.484 372 P HA 0.111 nan 4.420 nan 0.000 0.255 372 P C -0.217 177.124 177.300 0.068 0.000 1.248 372 P CA -0.157 62.898 63.100 -0.075 0.000 0.807 372 P CB 0.677 32.290 31.700 -0.145 0.000 1.150 373 D N 0.502 120.948 120.400 0.077 0.000 2.369 373 D HA 0.031 4.672 4.640 0.001 0.000 0.241 373 D C 1.884 178.409 176.300 0.375 0.000 1.271 373 D CA -0.197 53.919 54.000 0.193 0.000 0.942 373 D CB 0.648 41.561 40.800 0.189 0.000 1.129 373 D HN 0.041 nan 8.370 nan 0.000 0.476 374 I N -2.094 118.675 120.570 0.332 0.000 2.394 374 I HA 0.005 4.176 4.170 0.001 0.000 0.251 374 I C 1.804 178.146 176.117 0.374 0.000 1.136 374 I CA 1.266 62.813 61.300 0.412 0.000 1.425 374 I CB -0.473 37.667 38.000 0.234 0.000 1.079 374 I HN 0.285 nan 8.210 nan 0.000 0.425 375 G N -0.665 108.265 108.800 0.217 0.000 2.920 375 G HA2 0.025 3.986 3.960 0.001 0.000 0.208 375 G HA3 0.025 3.986 3.960 0.001 0.000 0.208 375 G C 0.734 175.207 174.900 -0.713 0.000 1.159 375 G CA -0.026 45.012 45.100 -0.103 0.000 0.784 375 G HN 0.586 nan 8.290 nan 0.000 0.535 376 W N -1.566 119.586 121.300 -0.246 0.000 3.728 376 W HA 0.184 4.845 4.660 0.002 0.000 0.210 376 W C 2.106 178.309 176.519 -0.526 0.000 1.105 376 W CA -0.111 56.968 57.345 -0.443 0.000 1.561 376 W CB -0.319 29.016 29.460 -0.208 0.000 0.718 376 W HN 0.182 nan 8.180 nan 0.000 0.847 377 Y N 0.738 121.024 120.300 -0.023 0.000 2.207 377 Y HA -0.247 4.303 4.550 0.001 0.000 0.287 377 Y C 1.746 177.712 175.900 0.111 0.000 1.156 377 Y CA 1.503 59.635 58.100 0.054 0.000 1.182 377 Y CB -1.843 36.636 38.460 0.032 0.000 0.979 377 Y HN 0.056 nan 8.280 nan 0.000 0.521 378 F N 0.224 119.841 119.950 -0.555 0.000 2.776 378 F HA 0.361 4.889 4.527 0.002 0.000 0.300 378 F C 0.895 176.713 175.800 0.029 0.000 1.116 378 F CA -1.120 56.788 58.000 -0.152 0.000 1.375 378 F CB -0.542 38.158 39.000 -0.501 0.000 1.109 378 F HN -0.168 nan 8.300 nan 0.000 0.585 379 K N 2.215 122.170 120.400 -0.740 0.000 2.363 379 K HA 0.527 4.848 4.320 0.001 0.000 0.289 379 K C -0.889 175.758 176.600 0.078 0.000 1.063 379 K CA 0.133 56.118 56.287 -0.504 0.000 0.967 379 K CB 0.084 32.134 32.500 -0.750 0.000 0.987 379 K HN 0.344 nan 8.250 nan 0.000 0.473 380 A N 5.614 128.498 122.820 0.106 0.000 2.604 380 A HA 0.202 4.523 4.320 0.001 0.000 0.285 380 A C -1.672 176.035 177.584 0.206 0.000 1.095 380 A CA -0.683 51.499 52.037 0.241 0.000 0.842 380 A CB 0.227 19.341 19.000 0.190 0.000 1.385 380 A HN 0.691 nan 8.150 nan 0.000 0.404 381 Y N 1.822 122.267 120.300 0.243 0.000 2.650 381 Y HA 0.209 4.760 4.550 0.001 0.000 0.342 381 Y C 0.500 176.531 175.900 0.219 0.000 1.110 381 Y CA 0.358 58.618 58.100 0.267 0.000 1.438 381 Y CB 0.449 39.064 38.460 0.258 0.000 1.181 381 Y HN 0.539 nan 8.280 nan 0.000 0.526 382 L N 5.133 126.558 121.223 0.336 0.000 2.399 382 L HA 0.095 4.435 4.340 0.001 0.000 0.257 382 L C 1.113 178.180 176.870 0.328 0.000 1.236 382 L CA 0.269 55.260 54.840 0.252 0.000 1.144 382 L CB -0.246 41.894 42.059 0.134 0.000 1.379 382 L HN 0.669 nan 8.230 nan 0.000 0.414 383 D N -0.099 120.511 120.400 0.349 0.000 2.123 383 D HA -0.198 4.443 4.640 0.001 0.000 0.196 383 D C 1.860 178.369 176.300 0.348 0.000 0.992 383 D CA 1.905 56.147 54.000 0.403 0.000 0.833 383 D CB 0.323 41.267 40.800 0.241 0.000 0.954 383 D HN 0.624 nan 8.370 nan 0.000 0.455 384 S N 0.494 116.317 115.700 0.205 0.000 2.356 384 S HA -0.005 4.466 4.470 0.001 0.000 0.219 384 S C 2.342 176.980 174.600 0.063 0.000 1.036 384 S CA 1.000 59.288 58.200 0.148 0.000 0.965 384 S CB -0.905 62.352 63.200 0.095 0.000 0.864 384 S HN 0.240 nan 8.310 nan 0.000 0.471 385 G N 1.840 110.634 108.800 -0.011 0.000 2.446 385 G HA2 -0.184 3.777 3.960 0.001 0.000 0.217 385 G HA3 -0.184 3.777 3.960 0.001 0.000 0.217 385 G C 1.084 175.930 174.900 -0.090 0.000 1.168 385 G CA 1.227 46.253 45.100 -0.124 0.000 0.771 385 G HN 0.505 nan 8.290 nan 0.000 0.551 386 D N -1.335 119.041 120.400 -0.040 0.000 2.271 386 D HA 0.096 4.737 4.640 0.001 0.000 0.206 386 D C 1.499 177.598 176.300 -0.335 0.000 0.967 386 D CA 0.563 54.435 54.000 -0.214 0.000 0.867 386 D CB 0.129 40.740 40.800 -0.314 0.000 0.960 386 D HN 0.498 nan 8.370 nan 0.000 0.509 387 Y N -0.567 119.810 120.300 0.129 0.000 2.526 387 Y HA 0.349 4.900 4.550 0.001 0.000 0.265 387 Y C 1.031 177.027 175.900 0.161 0.000 1.092 387 Y CA 0.157 58.367 58.100 0.183 0.000 1.277 387 Y CB 1.120 39.740 38.460 0.267 0.000 1.228 387 Y HN -0.102 nan 8.280 nan 0.000 0.507 388 G N 1.308 110.272 108.800 0.273 0.000 2.858 388 G HA2 -0.221 3.740 3.960 0.001 0.000 0.266 388 G HA3 -0.221 3.740 3.960 0.001 0.000 0.266 388 G C 0.275 175.332 174.900 0.262 0.000 1.023 388 G CA 0.031 45.255 45.100 0.208 0.000 1.172 388 G HN 0.228 nan 8.290 nan 0.000 0.523 389 M N 1.082 120.854 119.600 0.287 0.000 2.319 389 M HA 0.039 4.520 4.480 0.001 0.000 0.265 389 M C 2.691 179.303 176.300 0.520 0.000 1.068 389 M CA 2.029 57.563 55.300 0.390 0.000 1.118 389 M CB -0.063 32.815 32.600 0.463 0.000 1.395 389 M HN 0.669 nan 8.290 nan 0.000 0.435 390 G N -0.130 108.908 108.800 0.397 0.000 2.421 390 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 390 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 390 G C 1.427 176.493 174.900 0.278 0.000 1.171 390 G CA 1.445 46.737 45.100 0.319 0.000 0.775 390 G HN 0.342 nan 8.290 nan 0.000 0.543 391 T N 1.157 115.843 114.554 0.220 0.000 2.759 391 T HA -0.047 4.304 4.350 0.001 0.000 0.269 391 T C 1.959 176.770 174.700 0.185 0.000 1.042 391 T CA 0.789 63.002 62.100 0.189 0.000 1.140 391 T CB -0.148 68.835 68.868 0.191 0.000 0.864 391 T HN 0.146 nan 8.240 nan 0.000 0.455 392 L N 1.196 122.544 121.223 0.209 0.000 2.685 392 L HA 0.177 4.518 4.340 0.001 0.000 0.233 392 L C 0.682 177.633 176.870 0.135 0.000 1.173 392 L CA -0.301 54.627 54.840 0.146 0.000 0.961 392 L CB -0.445 41.688 42.059 0.123 0.000 1.217 392 L HN 0.040 nan 8.230 nan 0.000 0.478 393 T N 0.347 115.036 114.554 0.225 0.000 2.923 393 T HA -0.040 4.310 4.350 0.001 0.000 0.304 393 T C 0.630 175.386 174.700 0.093 0.000 1.044 393 T CA 0.549 62.788 62.100 0.231 0.000 1.141 393 T CB 0.430 69.547 68.868 0.416 0.000 1.023 393 T HN 0.137 nan 8.240 nan 0.000 0.533 394 S N 5.572 121.275 115.700 0.006 0.000 2.422 394 S HA 0.354 4.825 4.470 0.001 0.000 0.308 394 S C -2.244 172.368 174.600 0.020 0.000 1.097 394 S CA -1.211 56.984 58.200 -0.008 0.000 1.099 394 S CB 1.063 64.223 63.200 -0.066 0.000 0.976 394 S HN 0.452 nan 8.310 nan 0.000 0.471 395 P HA 0.037 nan 4.420 nan 0.000 0.262 395 P C -0.238 177.079 177.300 0.029 0.000 1.182 395 P CA -0.093 63.034 63.100 0.044 0.000 0.761 395 P CB 0.189 31.906 31.700 0.029 0.000 0.795 396 I N 2.295 122.892 120.570 0.046 0.000 2.683 396 I HA 0.002 4.173 4.170 0.001 0.000 0.286 396 I C 0.995 177.120 176.117 0.013 0.000 1.175 396 I CA -0.007 61.314 61.300 0.036 0.000 1.429 396 I CB -0.162 37.877 38.000 0.066 0.000 1.371 396 I HN 0.363 nan 8.210 nan 0.000 0.569 397 A N 7.892 130.712 122.820 -0.001 0.000 2.376 397 A HA 0.192 4.513 4.320 0.001 0.000 0.298 397 A C 0.772 178.347 177.584 -0.015 0.000 1.271 397 A CA -0.476 51.555 52.037 -0.010 0.000 0.926 397 A CB -0.113 18.879 19.000 -0.013 0.000 1.141 397 A HN 0.784 nan 8.150 nan 0.000 0.539 398 R N 2.121 122.612 120.500 -0.015 0.000 2.504 398 R HA 0.220 4.561 4.340 0.001 0.000 0.291 398 R C 1.456 177.741 176.300 -0.025 0.000 0.974 398 R CA 1.714 57.803 56.100 -0.019 0.000 1.077 398 R CB -0.035 30.252 30.300 -0.021 0.000 0.926 398 R HN 1.530 nan 8.270 nan 0.000 0.407 399 G N 3.452 112.228 108.800 -0.040 0.000 2.284 399 G HA2 -0.363 3.598 3.960 0.001 0.000 0.247 399 G HA3 -0.363 3.598 3.960 0.001 0.000 0.247 399 G C 0.767 175.636 174.900 -0.051 0.000 1.012 399 G CA 0.698 45.772 45.100 -0.044 0.000 0.618 399 G HN 0.611 nan 8.290 nan 0.000 0.521 400 K N -0.395 119.980 120.400 -0.043 0.000 2.266 400 K HA 0.245 4.566 4.320 0.001 0.000 0.209 400 K C 1.694 178.272 176.600 -0.037 0.000 1.065 400 K CA 0.711 56.977 56.287 -0.036 0.000 0.946 400 K CB -0.004 32.483 32.500 -0.023 0.000 1.069 400 K HN 0.119 nan 8.250 nan 0.000 0.472 401 D N 0.510 120.891 120.400 -0.032 0.000 2.269 401 D HA 0.044 4.684 4.640 0.001 0.000 0.208 401 D C -0.016 176.268 176.300 -0.026 0.000 0.963 401 D CA 0.675 54.666 54.000 -0.015 0.000 0.864 401 D CB 0.369 41.166 40.800 -0.005 0.000 0.936 401 D HN 0.220 nan 8.370 nan 0.000 0.505 402 A N 0.200 122.960 122.820 -0.101 0.000 2.556 402 A HA 0.590 4.911 4.320 0.001 0.000 0.294 402 A C -2.659 174.714 177.584 -0.351 0.000 1.091 402 A CA -1.318 50.544 52.037 -0.292 0.000 0.704 402 A CB 1.541 20.417 19.000 -0.207 0.000 1.300 402 A HN -0.216 nan 8.150 nan 0.000 0.406 403 P HA 0.100 nan 4.420 nan 0.000 0.271 403 P C 0.832 178.018 177.300 -0.191 0.000 1.244 403 P CA 0.303 63.192 63.100 -0.350 0.000 0.793 403 P CB 0.658 32.117 31.700 -0.401 0.000 0.984 404 S N -0.482 115.168 115.700 -0.084 0.000 2.555 404 S HA -0.102 4.369 4.470 0.001 0.000 0.230 404 S C 1.129 175.750 174.600 0.035 0.000 0.978 404 S CA 0.402 58.593 58.200 -0.014 0.000 0.934 404 S CB -1.071 62.137 63.200 0.015 0.000 0.766 404 S HN 0.605 nan 8.310 nan 0.000 0.533 405 N N 1.825 120.545 118.700 0.034 0.000 2.268 405 N HA 0.260 5.001 4.740 0.001 0.000 0.204 405 N C 0.244 175.852 175.510 0.165 0.000 1.124 405 N CA 0.183 53.298 53.050 0.109 0.000 0.838 405 N CB -0.099 38.463 38.487 0.125 0.000 0.994 405 N HN 0.444 nan 8.380 nan 0.000 0.489 406 A N 0.524 123.407 122.820 0.106 0.000 2.386 406 A HA 0.487 4.808 4.320 0.001 0.000 0.248 406 A C -0.074 177.643 177.584 0.222 0.000 1.082 406 A CA -0.396 51.762 52.037 0.201 0.000 0.789 406 A CB 0.746 19.804 19.000 0.096 0.000 1.025 406 A HN 0.066 nan 8.150 nan 0.000 0.490 407 V N 2.341 122.422 119.914 0.278 0.000 2.435 407 V HA 0.391 4.512 4.120 0.001 0.000 0.290 407 V C -0.225 176.003 176.094 0.224 0.000 1.030 407 V CA -0.274 62.193 62.300 0.277 0.000 0.881 407 V CB 1.242 33.285 31.823 0.367 0.000 0.983 407 V HN 0.681 nan 8.190 nan 0.000 0.445 408 L N 6.015 127.351 121.223 0.188 0.000 2.333 408 L HA 0.599 4.940 4.340 0.001 0.000 0.280 408 L C -0.728 176.222 176.870 0.134 0.000 1.004 408 L CA -0.463 54.460 54.840 0.140 0.000 0.820 408 L CB 1.641 43.748 42.059 0.081 0.000 1.247 408 L HN 0.389 nan 8.230 nan 0.000 0.416 409 L N 3.204 124.506 121.223 0.133 0.000 2.309 409 L HA 0.468 4.809 4.340 0.001 0.000 0.282 409 L C -0.131 176.778 176.870 0.066 0.000 1.036 409 L CA -0.800 54.109 54.840 0.114 0.000 0.806 409 L CB 1.402 43.534 42.059 0.122 0.000 1.220 409 L HN 0.571 nan 8.230 nan 0.000 0.429 410 N N 2.201 120.918 118.700 0.028 0.000 2.530 410 N HA 0.339 5.080 4.740 0.001 0.000 0.277 410 N C -0.563 174.957 175.510 0.017 0.000 1.168 410 N CA -0.375 52.685 53.050 0.017 0.000 0.979 410 N CB 1.446 39.926 38.487 -0.011 0.000 1.141 410 N HN 0.495 nan 8.380 nan 0.000 0.459 411 E N 0.242 120.455 120.200 0.022 0.000 2.367 411 E HA 0.411 4.762 4.350 0.001 0.000 0.273 411 E C -0.838 175.768 176.600 0.009 0.000 0.903 411 E CA -0.584 55.821 56.400 0.008 0.000 0.764 411 E CB 2.085 31.788 29.700 0.005 0.000 1.252 411 E HN 0.322 nan 8.360 nan 0.000 0.446 412 T N 2.511 117.063 114.554 -0.004 0.000 2.786 412 T HA 0.629 4.979 4.350 0.001 0.000 0.283 412 T C 0.212 174.908 174.700 -0.006 0.000 0.992 412 T CA -0.548 61.549 62.100 -0.004 0.000 0.954 412 T CB 0.198 69.059 68.868 -0.012 0.000 0.934 412 T HN 0.400 nan 8.240 nan 0.000 0.440 413 I N -0.144 120.429 120.570 0.005 0.000 3.042 413 I HA 0.965 5.136 4.170 0.001 0.000 0.310 413 I C -0.206 175.911 176.117 0.001 0.000 1.117 413 I CA -1.787 59.517 61.300 0.005 0.000 1.003 413 I CB 1.777 39.792 38.000 0.026 0.000 1.228 413 I HN 0.576 nan 8.210 nan 0.000 0.443 414 A N 2.390 125.205 122.820 -0.009 0.000 2.388 414 A HA 0.437 4.758 4.320 0.001 0.000 0.257 414 A C -0.365 177.227 177.584 0.014 0.000 1.095 414 A CA -0.215 51.801 52.037 -0.035 0.000 0.791 414 A CB 0.075 19.026 19.000 -0.081 0.000 1.029 414 A HN 0.888 nan 8.150 nan 0.000 0.489 415 D N 0.224 120.621 120.400 -0.004 0.000 2.506 415 D HA 0.154 4.795 4.640 0.001 0.000 0.272 415 D C 0.766 177.111 176.300 0.076 0.000 1.214 415 D CA 0.089 54.120 54.000 0.051 0.000 1.067 415 D CB -0.119 40.679 40.800 -0.003 0.000 1.117 415 D HN 0.609 nan 8.370 nan 0.000 0.578 416 Y N -2.347 118.046 120.300 0.156 0.000 2.421 416 Y HA 0.006 4.556 4.550 0.001 0.000 0.292 416 Y C 1.943 178.043 175.900 0.334 0.000 1.136 416 Y CA 1.224 59.459 58.100 0.225 0.000 1.255 416 Y CB -1.134 37.429 38.460 0.171 0.000 0.991 416 Y HN 0.367 nan 8.280 nan 0.000 0.552 417 T N -3.317 110.996 114.554 -0.400 0.000 3.129 417 T HA 0.418 4.769 4.350 0.001 0.000 0.251 417 T C 1.612 176.389 174.700 0.128 0.000 1.117 417 T CA 0.394 62.462 62.100 -0.054 0.000 1.034 417 T CB -0.439 68.279 68.868 -0.251 0.000 0.968 417 T HN 0.909 nan 8.240 nan 0.000 0.526 418 G N 0.449 109.211 108.800 -0.064 0.000 2.157 418 G HA2 -0.196 3.765 3.960 0.001 0.000 0.239 418 G HA3 -0.196 3.765 3.960 0.001 0.000 0.239 418 G C -0.049 174.685 174.900 -0.278 0.000 0.982 418 G CA -0.140 44.683 45.100 -0.461 0.000 0.650 418 G HN 0.697 nan 8.290 nan 0.000 0.527 419 V N 1.947 121.763 119.914 -0.164 0.000 2.509 419 V HA 0.492 4.613 4.120 0.001 0.000 0.284 419 V C -1.569 174.470 176.094 -0.092 0.000 1.047 419 V CA -1.628 60.602 62.300 -0.117 0.000 0.952 419 V CB 1.531 33.300 31.823 -0.090 0.000 0.988 419 V HN 0.115 nan 8.190 nan 0.000 0.469 420 P HA 0.224 nan 4.420 nan 0.000 0.271 420 P C -0.626 176.656 177.300 -0.029 0.000 1.216 420 P CA -0.155 62.915 63.100 -0.050 0.000 0.776 420 P CB 0.438 32.112 31.700 -0.045 0.000 0.881 421 M N 1.923 121.516 119.600 -0.012 0.000 2.142 421 M HA 0.279 4.760 4.480 0.001 0.000 0.299 421 M C -0.633 175.674 176.300 0.012 0.000 0.960 421 M CA -0.473 54.831 55.300 0.006 0.000 0.920 421 M CB 1.381 33.995 32.600 0.023 0.000 1.541 421 M HN 0.220 nan 8.290 nan 0.000 0.429 422 E N 5.151 125.356 120.200 0.009 0.000 2.223 422 E HA 0.331 4.682 4.350 0.001 0.000 0.282 422 E C -1.244 175.370 176.600 0.023 0.000 1.046 422 E CA -0.311 56.095 56.400 0.011 0.000 0.857 422 E CB 0.901 30.602 29.700 0.002 0.000 1.055 422 E HN 0.720 nan 8.360 nan 0.000 0.409 423 I N 7.788 128.379 120.570 0.035 0.000 2.304 423 I HA 0.223 4.393 4.170 0.001 0.000 0.291 423 I C -1.999 174.145 176.117 0.044 0.000 1.018 423 I CA -2.143 59.188 61.300 0.052 0.000 1.260 423 I CB 1.254 39.305 38.000 0.086 0.000 1.390 423 I HN 0.304 nan 8.210 nan 0.000 0.475 424 P HA 0.145 nan 4.420 nan 0.000 0.276 424 P C -0.445 176.875 177.300 0.035 0.000 1.230 424 P CA -0.262 62.848 63.100 0.016 0.000 0.776 424 P CB 0.726 32.425 31.700 -0.000 0.000 0.888 425 R N 1.078 121.598 120.500 0.033 0.000 3.525 425 R HA -0.229 4.112 4.340 0.001 0.000 0.276 425 R C 1.198 177.558 176.300 0.101 0.000 1.116 425 R CA 0.500 56.633 56.100 0.054 0.000 0.745 425 R CB -2.437 27.882 30.300 0.032 0.000 1.185 425 R HN 0.622 nan 8.270 nan 0.000 0.454 426 A N 0.294 123.186 122.820 0.120 0.000 1.933 426 A HA 0.038 4.359 4.320 0.001 0.000 0.218 426 A C 1.056 178.804 177.584 0.274 0.000 1.175 426 A CA 1.089 53.243 52.037 0.195 0.000 0.628 426 A CB 0.214 19.313 19.000 0.164 0.000 0.814 426 A HN 0.365 nan 8.150 nan 0.000 0.444 427 I N -1.760 118.931 120.570 0.201 0.000 2.722 427 I HA 0.541 4.712 4.170 0.001 0.000 0.295 427 I C -0.401 175.830 176.117 0.191 0.000 1.161 427 I CA -0.696 60.739 61.300 0.225 0.000 1.032 427 I CB 2.297 40.386 38.000 0.147 0.000 1.244 427 I HN 0.117 nan 8.210 nan 0.000 0.421 428 A N 5.537 128.495 122.820 0.231 0.000 2.330 428 A HA 0.850 5.171 4.320 0.001 0.000 0.327 428 A C -0.982 176.741 177.584 0.232 0.000 1.155 428 A CA -0.524 51.664 52.037 0.252 0.000 0.803 428 A CB 1.413 20.603 19.000 0.317 0.000 1.208 428 A HN 0.406 nan 8.150 nan 0.000 0.477 429 V N 2.970 122.983 119.914 0.165 0.000 2.448 429 V HA 0.730 4.851 4.120 0.001 0.000 0.295 429 V C -0.901 175.241 176.094 0.081 0.000 1.025 429 V CA -0.288 61.975 62.300 -0.061 0.000 0.859 429 V CB 0.649 32.287 31.823 -0.309 0.000 0.988 429 V HN 0.873 nan 8.190 nan 0.000 0.431 430 F N 1.066 120.914 119.950 -0.170 0.000 2.641 430 F HA 0.727 5.254 4.527 0.001 0.000 0.308 430 F C -0.679 175.061 175.800 -0.100 0.000 1.105 430 F CA -1.143 56.828 58.000 -0.049 0.000 0.964 430 F CB 1.587 40.602 39.000 0.025 0.000 1.294 430 F HN 0.479 nan 8.300 nan 0.000 0.442 431 E N 2.506 122.839 120.200 0.223 0.000 2.266 431 E HA 0.616 4.967 4.350 0.001 0.000 0.277 431 E C -0.964 175.776 176.600 0.233 0.000 1.018 431 E CA -0.853 55.614 56.400 0.111 0.000 0.840 431 E CB 1.322 31.189 29.700 0.277 0.000 1.082 431 E HN 0.864 nan 8.360 nan 0.000 0.395 432 R N 2.990 123.581 120.500 0.151 0.000 2.698 432 R HA 0.232 4.573 4.340 0.001 0.000 0.275 432 R C -1.561 174.836 176.300 0.162 0.000 1.001 432 R CA -0.950 55.271 56.100 0.201 0.000 0.896 432 R CB 0.595 31.038 30.300 0.239 0.000 1.218 432 R HN 0.538 nan 8.270 nan 0.000 0.462 433 Y N 1.716 122.058 120.300 0.069 0.000 2.425 433 Y HA 0.436 4.987 4.550 0.001 0.000 0.331 433 Y C -0.396 175.511 175.900 0.012 0.000 1.157 433 Y CA 0.428 58.554 58.100 0.042 0.000 1.372 433 Y CB 1.322 39.801 38.460 0.032 0.000 1.253 433 Y HN 0.834 nan 8.280 nan 0.000 0.536 434 A N 5.089 127.474 122.820 -0.725 0.000 2.806 434 A HA 0.617 4.938 4.320 0.001 0.000 0.266 434 A C 0.497 177.723 177.584 -0.598 0.000 0.926 434 A CA 0.149 51.897 52.037 -0.482 0.000 1.068 434 A CB -0.723 18.109 19.000 -0.279 0.000 1.189 434 A HN 1.802 nan 8.150 nan 0.000 0.481 435 G N 0.589 108.706 108.800 -1.138 0.000 2.698 435 G HA2 -0.049 3.912 3.960 0.001 0.000 0.225 435 G HA3 -0.049 3.912 3.960 0.001 0.000 0.225 435 G C -3.209 171.455 174.900 -0.392 0.000 1.345 435 G CA -0.396 44.385 45.100 -0.530 0.000 0.871 435 G HN 0.478 nan 8.290 nan 0.000 0.540 436 P HA 0.337 nan 4.420 nan 0.000 0.281 436 P C 0.454 177.683 177.300 -0.118 0.000 1.252 436 P CA -0.030 63.016 63.100 -0.090 0.000 0.778 436 P CB 1.754 33.445 31.700 -0.015 0.000 0.895 437 E N 4.108 124.199 120.200 -0.183 0.000 2.077 437 E HA -0.141 4.210 4.350 0.001 0.000 0.193 437 E C -0.012 176.545 176.600 -0.072 0.000 0.989 437 E CA 1.750 58.050 56.400 -0.167 0.000 0.800 437 E CB -0.314 29.219 29.700 -0.278 0.000 0.746 437 E HN 0.574 nan 8.360 nan 0.000 0.452 438 Y N -2.996 117.309 120.300 0.008 0.000 2.677 438 Y HA 0.635 5.186 4.550 0.001 0.000 0.334 438 Y C -1.236 174.682 175.900 0.029 0.000 1.196 438 Y CA -1.768 56.340 58.100 0.013 0.000 1.059 438 Y CB 0.641 39.104 38.460 0.005 0.000 1.315 438 Y HN -0.133 nan 8.280 nan 0.000 0.455 439 K N 1.016 121.632 120.400 0.359 0.000 2.542 439 K HA 0.571 4.892 4.320 0.001 0.000 0.259 439 K C -2.580 174.182 176.600 0.271 0.000 0.932 439 K CA -0.787 55.654 56.287 0.257 0.000 0.820 439 K CB 2.183 34.758 32.500 0.126 0.000 1.345 439 K HN 1.043 nan 8.250 nan 0.000 0.432 440 H N 1.689 120.823 119.070 0.108 0.000 2.966 440 H HA 0.271 4.828 4.556 0.001 0.000 0.347 440 H C -1.845 173.507 175.328 0.040 0.000 1.048 440 H CA -0.404 55.675 56.048 0.052 0.000 1.295 440 H CB 1.908 31.683 29.762 0.021 0.000 1.744 440 H HN 0.504 nan 8.280 nan 0.000 0.513 441 Q N 3.599 123.059 119.800 -0.567 0.000 2.462 441 Q HA 0.261 4.601 4.340 0.001 0.000 0.247 441 Q C -0.983 174.659 176.000 -0.597 0.000 1.044 441 Q CA -0.793 54.772 55.803 -0.396 0.000 0.803 441 Q CB 0.855 29.475 28.738 -0.197 0.000 1.190 441 Q HN 0.605 nan 8.270 nan 0.000 0.507 442 E N 3.369 123.301 120.200 -0.448 0.000 2.338 442 E HA 0.112 4.463 4.350 0.001 0.000 0.272 442 E C -0.577 175.967 176.600 -0.093 0.000 1.029 442 E CA -0.216 56.073 56.400 -0.185 0.000 0.872 442 E CB 0.604 30.338 29.700 0.057 0.000 1.015 442 E HN 0.812 nan 8.360 nan 0.000 0.417 443 M N 4.569 124.142 119.600 -0.045 0.000 2.338 443 M HA 0.045 4.526 4.480 0.001 0.000 0.360 443 M C 0.841 177.131 176.300 -0.016 0.000 1.547 443 M CA 1.815 57.099 55.300 -0.027 0.000 1.001 443 M CB -0.437 32.158 32.600 -0.007 0.000 2.008 443 M HN 0.834 nan 8.290 nan 0.000 0.464 444 G N 2.801 111.589 108.800 -0.020 0.000 2.155 444 G HA2 -0.203 3.758 3.960 0.001 0.000 0.257 444 G HA3 -0.203 3.758 3.960 0.001 0.000 0.257 444 G C -0.188 174.707 174.900 -0.009 0.000 0.983 444 G CA 0.146 45.239 45.100 -0.012 0.000 0.676 444 G HN 0.658 nan 8.290 nan 0.000 0.528 445 Q N -0.450 119.341 119.800 -0.015 0.000 2.418 445 Q HA 0.596 4.937 4.340 0.001 0.000 0.276 445 Q C -2.465 173.528 176.000 -0.011 0.000 1.081 445 Q CA -1.708 54.091 55.803 -0.007 0.000 0.864 445 Q CB 1.223 29.962 28.738 0.002 0.000 1.384 445 Q HN 0.204 nan 8.270 nan 0.000 0.467 446 P HA 0.080 nan 4.420 nan 0.000 0.274 446 P C -0.232 177.065 177.300 -0.004 0.000 1.231 446 P CA -0.362 62.737 63.100 -0.002 0.000 0.790 446 P CB 0.546 32.249 31.700 0.006 0.000 0.951 447 N N 0.617 119.313 118.700 -0.007 0.000 2.453 447 N HA 0.109 4.850 4.740 0.001 0.000 0.253 447 N C -1.167 174.361 175.510 0.030 0.000 1.252 447 N CA -0.015 53.032 53.050 -0.005 0.000 0.917 447 N CB 0.436 38.920 38.487 -0.004 0.000 1.117 447 N HN 0.033 nan 8.380 nan 0.000 0.442 448 V N 1.661 121.611 119.914 0.059 0.000 2.531 448 V HA 0.439 4.560 4.120 0.001 0.000 0.301 448 V C -0.578 175.600 176.094 0.140 0.000 1.034 448 V CA -0.600 61.769 62.300 0.114 0.000 0.865 448 V CB 1.509 33.431 31.823 0.164 0.000 0.995 448 V HN 0.680 nan 8.190 nan 0.000 0.424 449 S N 2.244 118.003 115.700 0.099 0.000 2.533 449 S HA 0.791 5.262 4.470 0.001 0.000 0.271 449 S C -0.400 174.156 174.600 -0.074 0.000 1.143 449 S CA -0.742 57.476 58.200 0.030 0.000 0.891 449 S CB 2.368 65.580 63.200 0.021 0.000 1.105 449 S HN 0.979 nan 8.310 nan 0.000 0.468 450 T N -0.815 113.579 114.554 -0.268 0.000 2.906 450 T HA 0.677 5.028 4.350 0.001 0.000 0.295 450 T C -0.797 173.780 174.700 -0.204 0.000 1.061 450 T CA -1.123 60.819 62.100 -0.263 0.000 1.000 450 T CB 1.431 70.041 68.868 -0.430 0.000 1.103 450 T HN 0.670 nan 8.240 nan 0.000 0.486 451 E N 1.425 121.577 120.200 -0.081 0.000 2.331 451 E HA 0.341 4.692 4.350 0.001 0.000 0.272 451 E C -0.199 176.347 176.600 -0.088 0.000 1.036 451 E CA -1.032 55.361 56.400 -0.012 0.000 0.864 451 E CB 1.298 31.111 29.700 0.189 0.000 1.035 451 E HN 0.673 nan 8.360 nan 0.000 0.408 452 R N 2.152 122.552 120.500 -0.166 0.000 2.357 452 R HA 0.238 4.578 4.340 0.001 0.000 0.296 452 R C -0.620 175.629 176.300 -0.084 0.000 1.052 452 R CA -0.577 55.448 56.100 -0.125 0.000 0.988 452 R CB 0.762 30.971 30.300 -0.152 0.000 1.025 452 R HN 0.509 nan 8.270 nan 0.000 0.469 453 R N 2.985 123.527 120.500 0.070 0.000 2.670 453 R HA 0.365 4.706 4.340 0.001 0.000 0.289 453 R C -0.947 175.520 176.300 0.279 0.000 0.965 453 R CA -0.746 55.476 56.100 0.202 0.000 0.899 453 R CB 2.146 32.651 30.300 0.343 0.000 1.173 453 R HN 0.753 nan 8.270 nan 0.000 0.456 454 E N 1.323 121.595 120.200 0.120 0.000 2.317 454 E HA 0.379 4.730 4.350 0.001 0.000 0.270 454 E C -1.168 175.208 176.600 -0.373 0.000 0.885 454 E CA -1.038 55.304 56.400 -0.095 0.000 0.760 454 E CB 2.797 32.310 29.700 -0.312 0.000 1.227 454 E HN 0.110 nan 8.360 nan 0.000 0.434 455 L N 2.671 123.473 121.223 -0.703 0.000 2.313 455 L HA 0.448 4.789 4.340 0.001 0.000 0.283 455 L C -1.474 175.059 176.870 -0.563 0.000 1.013 455 L CA -0.624 53.676 54.840 -0.900 0.000 0.816 455 L CB 1.528 42.698 42.059 -1.481 0.000 1.236 455 L HN 0.309 nan 8.230 nan 0.000 0.419 456 V N 5.599 125.067 119.914 -0.743 0.000 2.495 456 V HA 0.523 4.644 4.120 0.001 0.000 0.298 456 V C -0.479 175.279 176.094 -0.561 0.000 1.031 456 V CA -0.748 61.106 62.300 -0.743 0.000 0.871 456 V CB 1.874 32.905 31.823 -1.320 0.000 0.988 456 V HN 0.478 nan 8.190 nan 0.000 0.432 457 V N 5.546 125.355 119.914 -0.175 0.000 2.384 457 V HA 0.561 4.682 4.120 0.001 0.000 0.287 457 V C 0.035 176.236 176.094 0.178 0.000 1.020 457 V CA -0.582 61.723 62.300 0.008 0.000 0.850 457 V CB 1.493 33.373 31.823 0.095 0.000 0.987 457 V HN 0.886 nan 8.190 nan 0.000 0.436 458 R N 3.715 124.365 120.500 0.249 0.000 2.534 458 R HA 0.570 4.911 4.340 0.001 0.000 0.301 458 R C -1.997 174.584 176.300 0.468 0.000 0.961 458 R CA -0.596 55.733 56.100 0.381 0.000 0.871 458 R CB 1.859 32.419 30.300 0.434 0.000 1.170 458 R HN 0.693 nan 8.270 nan 0.000 0.446 459 W N 6.448 127.921 121.300 0.289 0.000 3.022 459 W HA 0.572 5.233 4.660 0.001 0.000 0.335 459 W C -1.950 174.745 176.519 0.294 0.000 1.133 459 W CA -0.752 56.751 57.345 0.263 0.000 1.219 459 W CB 1.153 30.775 29.460 0.270 0.000 1.409 459 W HN 0.425 nan 8.180 nan 0.000 0.507 460 I N 5.121 125.415 120.570 -0.460 0.000 2.545 460 I HA 0.440 4.610 4.170 0.001 0.000 0.292 460 I C -0.426 175.258 176.117 -0.723 0.000 1.040 460 I CA -0.938 60.064 61.300 -0.496 0.000 1.068 460 I CB 2.142 40.022 38.000 -0.199 0.000 1.251 460 I HN 0.363 nan 8.210 nan 0.000 0.424 461 S N 3.388 118.732 115.700 -0.592 0.000 2.571 461 S HA 0.617 5.087 4.470 0.001 0.000 0.284 461 S C -0.849 173.676 174.600 -0.126 0.000 1.128 461 S CA -0.327 57.666 58.200 -0.344 0.000 0.970 461 S CB 1.660 64.613 63.200 -0.412 0.000 1.039 461 S HN 0.570 nan 8.310 nan 0.000 0.485 462 T N 3.736 118.239 114.554 -0.084 0.000 2.792 462 T HA 0.549 4.900 4.350 0.001 0.000 0.280 462 T C -0.942 173.724 174.700 -0.056 0.000 0.990 462 T CA -0.490 61.545 62.100 -0.109 0.000 0.960 462 T CB 1.256 70.046 68.868 -0.130 0.000 0.939 462 T HN 0.465 nan 8.240 nan 0.000 0.439 463 V N 3.485 123.348 119.914 -0.084 0.000 2.349 463 V HA 0.674 4.795 4.120 0.001 0.000 0.284 463 V C 1.086 177.059 176.094 -0.201 0.000 1.014 463 V CA 0.029 62.259 62.300 -0.116 0.000 0.826 463 V CB 0.327 32.087 31.823 -0.105 0.000 1.009 463 V HN 1.227 nan 8.190 nan 0.000 0.431 464 G N 5.734 114.513 108.800 -0.035 0.000 2.602 464 G HA2 -0.294 3.667 3.960 0.001 0.000 0.310 464 G HA3 -0.294 3.667 3.960 0.001 0.000 0.310 464 G C 0.313 175.110 174.900 -0.171 0.000 1.183 464 G CA 0.564 45.745 45.100 0.136 0.000 0.979 464 G HN 0.913 nan 8.290 nan 0.000 0.545 468 Y N 0.926 121.042 120.300 -0.307 0.000 2.393 468 Y HA 0.691 5.242 4.550 0.001 0.000 0.341 468 Y C -0.045 175.538 175.900 -0.528 0.000 0.988 468 Y CA -0.893 56.954 58.100 -0.422 0.000 1.078 468 Y CB 1.609 39.934 38.460 -0.226 0.000 1.203 468 Y HN 0.259 nan 8.280 nan 0.000 0.453 469 I N 4.212 124.442 120.570 -0.566 0.000 2.410 469 I HA 0.352 4.523 4.170 0.001 0.000 0.286 469 I C -1.395 174.419 176.117 -0.505 0.000 1.009 469 I CA -0.522 60.535 61.300 -0.404 0.000 1.111 469 I CB 1.001 38.784 38.000 -0.363 0.000 1.262 469 I HN 0.366 nan 8.210 nan 0.000 0.443 470 F N 3.721 123.744 119.950 0.122 0.000 2.444 470 F HA 0.429 4.957 4.527 0.001 0.000 0.342 470 F C -0.063 175.886 175.800 0.249 0.000 1.121 470 F CA -0.752 57.375 58.000 0.212 0.000 0.997 470 F CB 1.257 40.517 39.000 0.433 0.000 1.130 470 F HN 0.325 nan 8.300 nan 0.000 0.454 471 D N 2.509 123.043 120.400 0.224 0.000 2.256 471 D HA 0.234 4.875 4.640 0.001 0.000 0.240 471 D C -1.204 174.949 176.300 -0.246 0.000 1.062 471 D CA -0.240 53.815 54.000 0.092 0.000 0.832 471 D CB 1.137 41.949 40.800 0.020 0.000 1.135 471 D HN 0.327 nan 8.370 nan 0.000 0.484 472 W N 2.432 123.657 121.300 -0.125 0.000 2.391 472 W HA 0.525 5.186 4.660 0.001 0.000 0.311 472 W C -0.095 176.159 176.519 -0.442 0.000 1.087 472 W CA -0.604 56.540 57.345 -0.335 0.000 1.209 472 W CB 0.693 29.962 29.460 -0.317 0.000 1.273 472 W HN 0.115 nan 8.180 nan 0.000 0.482 473 I N 4.032 124.336 120.570 -0.444 0.000 2.439 473 I HA 0.315 4.486 4.170 0.001 0.000 0.285 473 I C -0.996 174.815 176.117 -0.509 0.000 1.021 473 I CA -0.785 60.279 61.300 -0.393 0.000 1.091 473 I CB 0.838 38.671 38.000 -0.279 0.000 1.242 473 I HN 0.129 nan 8.210 nan 0.000 0.439 474 F N 4.680 124.447 119.950 -0.306 0.000 2.385 474 F HA 0.398 4.926 4.527 0.001 0.000 0.360 474 F C 0.807 176.707 175.800 0.167 0.000 1.122 474 F CA -0.408 57.426 58.000 -0.276 0.000 1.090 474 F CB 0.465 39.034 39.000 -0.719 0.000 1.150 474 F HN 0.388 nan 8.300 nan 0.000 0.472 475 H N 2.213 121.515 119.070 0.386 0.000 2.511 475 H HA 0.066 4.622 4.556 0.001 0.000 0.346 475 H C 0.936 176.754 175.328 0.816 0.000 1.128 475 H CA -0.313 56.023 56.048 0.480 0.000 1.342 475 H CB 1.601 31.533 29.762 0.282 0.000 1.470 475 H HN 0.733 nan 8.280 nan 0.000 0.546 476 E N 2.023 122.655 120.200 0.720 0.000 2.204 476 E HA -0.168 4.183 4.350 0.001 0.000 0.195 476 E C 1.044 177.875 176.600 0.385 0.000 0.990 476 E CA 0.976 57.655 56.400 0.464 0.000 0.821 476 E CB 0.071 29.862 29.700 0.151 0.000 0.750 476 E HN 0.706 nan 8.360 nan 0.000 0.477 477 N N -1.610 117.296 118.700 0.344 0.000 2.383 477 N HA 0.036 4.776 4.740 0.001 0.000 0.192 477 N C 1.098 176.660 175.510 0.088 0.000 1.141 477 N CA 0.486 53.617 53.050 0.136 0.000 0.851 477 N CB 0.944 39.480 38.487 0.082 0.000 0.976 477 N HN 0.196 nan 8.380 nan 0.000 0.465 478 G N 0.117 109.155 108.800 0.397 0.000 2.259 478 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 478 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 478 G C 0.205 175.461 174.900 0.593 0.000 1.001 478 G CA 0.073 45.417 45.100 0.407 0.000 0.627 478 G HN 0.389 nan 8.290 nan 0.000 0.501 479 T N 1.754 116.497 114.554 0.316 0.000 2.940 479 T HA 0.498 4.848 4.350 0.001 0.000 0.309 479 T C 0.466 175.252 174.700 0.144 0.000 1.056 479 T CA 0.604 62.747 62.100 0.072 0.000 1.137 479 T CB 1.070 69.676 68.868 -0.436 0.000 0.976 479 T HN 0.353 nan 8.240 nan 0.000 0.547 480 I N 2.005 122.588 120.570 0.021 0.000 2.436 480 I HA 0.509 4.680 4.170 0.001 0.000 0.289 480 I C 0.719 176.703 176.117 -0.222 0.000 1.010 480 I CA -0.818 60.365 61.300 -0.195 0.000 1.098 480 I CB 1.901 39.715 38.000 -0.311 0.000 1.266 480 I HN 0.686 nan 8.210 nan 0.000 0.434 481 G N 6.658 115.319 108.800 -0.231 0.000 2.417 481 G HA2 0.814 4.775 3.960 0.001 0.000 0.334 481 G HA3 0.814 4.775 3.960 0.001 0.000 0.334 481 G C -0.898 173.740 174.900 -0.437 0.000 1.150 481 G CA -0.484 44.477 45.100 -0.232 0.000 0.923 481 G HN 0.493 nan 8.290 nan 0.000 0.485 482 I N 1.469 121.732 120.570 -0.512 0.000 2.478 482 I HA 0.285 4.456 4.170 0.001 0.000 0.287 482 I C -1.375 174.433 176.117 -0.516 0.000 1.042 482 I CA -0.801 60.014 61.300 -0.810 0.000 1.067 482 I CB 2.353 39.559 38.000 -1.324 0.000 1.233 482 I HN 0.236 nan 8.210 nan 0.000 0.431 483 D N 5.280 125.465 120.400 -0.359 0.000 2.362 483 D HA 0.672 5.313 4.640 0.001 0.000 0.247 483 D C -0.621 175.630 176.300 -0.082 0.000 1.050 483 D CA -0.241 53.678 54.000 -0.134 0.000 0.839 483 D CB 2.473 43.277 40.800 0.006 0.000 1.283 483 D HN 0.560 nan 8.370 nan 0.000 0.477 484 A N 1.207 123.902 122.820 -0.207 0.000 2.318 484 A HA 0.753 5.074 4.320 0.001 0.000 0.317 484 A C 0.187 177.359 177.584 -0.687 0.000 1.159 484 A CA -0.654 51.022 52.037 -0.601 0.000 0.799 484 A CB 1.296 19.660 19.000 -1.060 0.000 1.194 484 A HN 0.481 nan 8.150 nan 0.000 0.479 485 G N 0.477 108.627 108.800 -1.082 0.000 2.416 485 G HA2 0.714 4.675 3.960 0.001 0.000 0.329 485 G HA3 0.714 4.675 3.960 0.001 0.000 0.329 485 G C -0.464 173.908 174.900 -0.880 0.000 1.173 485 G CA 0.042 44.241 45.100 -1.502 0.000 0.929 485 G HN 1.498 nan 8.290 nan 0.000 0.475 486 A N 1.090 123.467 122.820 -0.738 0.000 2.356 486 A HA 0.905 5.226 4.320 0.001 0.000 0.310 486 A C -0.102 177.144 177.584 -0.565 0.000 1.075 486 A CA -0.364 51.321 52.037 -0.586 0.000 0.746 486 A CB 2.156 20.845 19.000 -0.519 0.000 1.221 486 A HN 1.097 nan 8.150 nan 0.000 0.443 487 T N 0.343 114.569 114.554 -0.546 0.000 2.612 487 T HA 0.816 5.167 4.350 0.001 0.000 0.296 487 T C 0.391 174.830 174.700 -0.435 0.000 1.148 487 T CA 1.035 62.886 62.100 -0.415 0.000 1.077 487 T CB 0.737 69.386 68.868 -0.365 0.000 1.591 487 T HN 2.750 nan 8.240 nan 0.000 0.479 488 G N 0.527 109.085 108.800 -0.402 0.000 2.451 488 G HA2 0.032 3.993 3.960 0.001 0.000 0.208 488 G HA3 0.032 3.993 3.960 0.001 0.000 0.208 488 G C -1.390 173.229 174.900 -0.468 0.000 1.248 488 G CA -0.211 44.600 45.100 -0.482 0.000 0.989 488 G HN 0.909 nan 8.290 nan 0.000 0.559 489 I N 1.218 121.449 120.570 -0.565 0.000 2.433 489 I HA 0.413 4.584 4.170 0.001 0.000 0.292 489 I C 0.612 176.545 176.117 -0.306 0.000 1.001 489 I CA -0.869 60.140 61.300 -0.486 0.000 1.119 489 I CB 1.216 38.773 38.000 -0.739 0.000 1.289 489 I HN 0.626 nan 8.210 nan 0.000 0.438 490 E N 3.206 123.421 120.200 0.025 0.000 2.398 490 E HA 0.294 4.645 4.350 0.001 0.000 0.263 490 E C -0.056 176.609 176.600 0.108 0.000 1.046 490 E CA -0.259 56.207 56.400 0.110 0.000 0.908 490 E CB 1.236 31.076 29.700 0.234 0.000 0.963 490 E HN 0.693 nan 8.360 nan 0.000 0.431 491 A N 2.852 125.737 122.820 0.108 0.000 2.396 491 A HA 0.313 4.634 4.320 0.001 0.000 0.279 491 A C 0.067 177.878 177.584 0.378 0.000 1.165 491 A CA -0.539 51.653 52.037 0.259 0.000 0.824 491 A CB -0.173 18.948 19.000 0.202 0.000 1.100 491 A HN 0.360 nan 8.150 nan 0.000 0.516 492 V N 0.582 120.734 119.914 0.397 0.000 2.815 492 V HA 0.667 4.788 4.120 0.001 0.000 0.314 492 V C -0.211 176.105 176.094 0.370 0.000 1.064 492 V CA -1.132 61.285 62.300 0.194 0.000 0.952 492 V CB 1.587 33.341 31.823 -0.115 0.000 1.020 492 V HN 0.827 nan 8.190 nan 0.000 0.439 493 K N 2.065 122.539 120.400 0.124 0.000 2.156 493 K HA 0.649 4.970 4.320 0.001 0.000 0.271 493 K C 0.322 176.977 176.600 0.091 0.000 0.995 493 K CA -0.186 56.209 56.287 0.181 0.000 0.890 493 K CB 1.401 33.809 32.500 -0.154 0.000 1.073 493 K HN 1.187 nan 8.250 nan 0.000 0.454 494 G N 2.237 111.122 108.800 0.141 0.000 2.380 494 G HA2 0.426 4.387 3.960 0.001 0.000 0.262 494 G HA3 0.426 4.387 3.960 0.001 0.000 0.262 494 G C -0.577 174.357 174.900 0.056 0.000 1.243 494 G CA -0.389 44.765 45.100 0.091 0.000 0.865 494 G HN 0.483 nan 8.290 nan 0.000 0.513 495 V N 0.183 120.116 119.914 0.031 0.000 3.181 495 V HA 0.615 4.736 4.120 0.001 0.000 0.308 495 V C 0.667 176.775 176.094 0.024 0.000 1.214 495 V CA -1.153 61.157 62.300 0.017 0.000 1.053 495 V CB 2.005 33.819 31.823 -0.014 0.000 1.069 495 V HN 0.613 nan 8.190 nan 0.000 0.441 496 K N 1.199 121.611 120.400 0.019 0.000 2.243 496 K HA 0.463 4.784 4.320 0.001 0.000 0.201 496 K C 1.027 177.639 176.600 0.021 0.000 1.051 496 K CA 1.062 57.362 56.287 0.022 0.000 0.970 496 K CB 0.029 32.539 32.500 0.016 0.000 0.755 496 K HN 0.967 nan 8.250 nan 0.000 0.465 497 A N 1.440 124.267 122.820 0.012 0.000 2.450 497 A HA 0.059 4.380 4.320 0.001 0.000 0.255 497 A C 0.476 178.086 177.584 0.043 0.000 1.096 497 A CA 0.116 52.162 52.037 0.016 0.000 0.778 497 A CB 0.439 19.437 19.000 -0.005 0.000 1.031 497 A HN 0.161 nan 8.150 nan 0.000 0.494 498 K N 0.091 120.527 120.400 0.061 0.000 2.202 498 K HA 0.076 4.397 4.320 0.001 0.000 0.201 498 K C 0.895 177.627 176.600 0.220 0.000 1.051 498 K CA 1.404 57.766 56.287 0.124 0.000 0.977 498 K CB 0.269 32.767 32.500 -0.003 0.000 0.792 498 K HN 0.911 nan 8.250 nan 0.000 0.469 499 T N -3.161 111.461 114.554 0.113 0.000 2.864 499 T HA 0.246 4.596 4.350 0.001 0.000 0.289 499 T C 0.634 175.315 174.700 -0.032 0.000 1.082 499 T CA -0.843 61.302 62.100 0.075 0.000 1.009 499 T CB 1.132 70.076 68.868 0.127 0.000 1.234 499 T HN -0.253 nan 8.240 nan 0.000 0.526 500 M N 0.430 119.933 119.600 -0.161 0.000 2.700 500 M HA 0.043 4.524 4.480 0.001 0.000 0.249 500 M C 1.107 177.248 176.300 -0.265 0.000 1.082 500 M CA 1.126 56.288 55.300 -0.230 0.000 1.077 500 M CB -1.587 30.846 32.600 -0.279 0.000 1.477 500 M HN 0.752 nan 8.290 nan 0.000 0.529 501 H N -0.896 118.178 119.070 0.007 0.000 2.563 501 H HA 0.078 4.635 4.556 0.001 0.000 0.264 501 H C 0.065 175.392 175.328 -0.001 0.000 0.957 501 H CA -0.344 55.705 56.048 0.002 0.000 1.173 501 H CB 0.322 30.088 29.762 0.007 0.000 1.420 501 H HN 0.216 nan 8.280 nan 0.000 0.551 502 D N 0.683 121.132 120.400 0.081 0.000 2.357 502 D HA -0.030 4.611 4.640 0.001 0.000 0.242 502 D C 1.030 177.345 176.300 0.025 0.000 1.153 502 D CA 0.130 54.158 54.000 0.047 0.000 0.918 502 D CB 0.885 41.703 40.800 0.030 0.000 1.181 502 D HN 0.337 nan 8.370 nan 0.000 0.435 503 E N -0.424 119.787 120.200 0.018 0.000 2.204 503 E HA -0.122 4.228 4.350 0.001 0.000 0.194 503 E C 1.463 178.061 176.600 -0.003 0.000 0.989 503 E CA 1.108 57.513 56.400 0.008 0.000 0.824 503 E CB 0.085 29.789 29.700 0.007 0.000 0.756 503 E HN 0.541 nan 8.360 nan 0.000 0.477 504 T N -2.066 112.485 114.554 -0.005 0.000 3.129 504 T HA 0.287 4.637 4.350 0.001 0.000 0.251 504 T C 1.855 176.537 174.700 -0.030 0.000 1.117 504 T CA 0.363 62.454 62.100 -0.014 0.000 1.034 504 T CB 0.314 69.178 68.868 -0.008 0.000 0.968 504 T HN 0.110 nan 8.240 nan 0.000 0.526 505 A N 2.618 125.419 122.820 -0.032 0.000 1.892 505 A HA -0.159 4.162 4.320 0.001 0.000 0.218 505 A C 2.433 179.973 177.584 -0.074 0.000 1.188 505 A CA 1.678 53.683 52.037 -0.053 0.000 0.631 505 A CB -0.708 18.255 19.000 -0.061 0.000 0.822 505 A HN 0.412 nan 8.150 nan 0.000 0.447 506 K N -0.701 119.658 120.400 -0.069 0.000 2.063 506 K HA -0.202 4.119 4.320 0.001 0.000 0.208 506 K C 1.383 177.915 176.600 -0.114 0.000 1.048 506 K CA 1.960 58.195 56.287 -0.087 0.000 0.928 506 K CB -0.310 32.149 32.500 -0.069 0.000 0.713 506 K HN 0.469 nan 8.250 nan 0.000 0.442 507 D N 0.593 120.937 120.400 -0.093 0.000 2.162 507 D HA -0.094 4.547 4.640 0.001 0.000 0.203 507 D C 1.455 177.687 176.300 -0.113 0.000 0.967 507 D CA 0.793 54.730 54.000 -0.105 0.000 0.840 507 D CB -0.256 40.510 40.800 -0.056 0.000 0.972 507 D HN 0.150 nan 8.370 nan 0.000 0.482 508 D N -0.239 120.111 120.400 -0.084 0.000 2.218 508 D HA -0.090 4.551 4.640 0.001 0.000 0.204 508 D C 1.571 177.802 176.300 -0.116 0.000 0.976 508 D CA 1.206 55.161 54.000 -0.076 0.000 0.853 508 D CB -0.134 40.632 40.800 -0.057 0.000 0.939 508 D HN 0.324 nan 8.370 nan 0.000 0.481 509 T N -2.991 111.473 114.554 -0.150 0.000 3.174 509 T HA 0.214 4.565 4.350 0.001 0.000 0.269 509 T C 1.428 175.976 174.700 -0.253 0.000 1.017 509 T CA -0.515 61.482 62.100 -0.172 0.000 0.899 509 T CB 0.602 69.385 68.868 -0.141 0.000 1.077 509 T HN -0.063 nan 8.240 nan 0.000 0.552 510 R N 0.297 120.562 120.500 -0.392 0.000 2.127 510 R HA -0.065 4.276 4.340 0.001 0.000 0.238 510 R C 0.415 176.264 176.300 -0.753 0.000 1.134 510 R CA 1.480 57.185 56.100 -0.658 0.000 0.975 510 R CB -0.107 29.609 30.300 -0.973 0.000 0.865 510 R HN 0.569 nan 8.270 nan 0.000 0.447 511 Y N -1.706 118.513 120.300 -0.135 0.000 2.612 511 Y HA 0.484 5.035 4.550 0.002 0.000 0.250 511 Y C 0.514 176.305 175.900 -0.182 0.000 1.175 511 Y CA -0.009 57.998 58.100 -0.156 0.000 1.205 511 Y CB 1.483 39.837 38.460 -0.176 0.000 1.201 511 Y HN 0.109 nan 8.280 nan 0.000 0.532 512 G N -0.937 107.803 108.800 -0.101 0.000 2.451 512 G HA2 0.387 4.348 3.960 0.001 0.000 0.292 512 G HA3 0.387 4.348 3.960 0.001 0.000 0.292 512 G C -1.331 173.488 174.900 -0.136 0.000 1.427 512 G CA -0.859 44.166 45.100 -0.126 0.000 0.792 512 G HN -0.204 nan 8.290 nan 0.000 0.498 513 T N 0.649 115.123 114.554 -0.133 0.000 2.882 513 T HA 0.423 4.774 4.350 0.001 0.000 0.287 513 T C 0.078 174.695 174.700 -0.137 0.000 0.992 513 T CA -0.251 61.778 62.100 -0.120 0.000 1.076 513 T CB 1.490 70.301 68.868 -0.096 0.000 0.961 513 T HN 0.550 nan 8.240 nan 0.000 0.490 514 L N 5.338 126.486 121.223 -0.125 0.000 2.485 514 L HA 0.304 4.645 4.340 0.001 0.000 0.279 514 L C 0.856 177.641 176.870 -0.142 0.000 1.124 514 L CA 0.239 54.999 54.840 -0.134 0.000 0.888 514 L CB -0.497 41.500 42.059 -0.103 0.000 1.217 514 L HN 0.725 nan 8.230 nan 0.000 0.464 515 I N -0.071 120.374 120.570 -0.209 0.000 4.057 515 I HA 0.464 4.635 4.170 0.001 0.000 0.334 515 I C 0.018 175.999 176.117 -0.228 0.000 1.308 515 I CA -0.009 61.174 61.300 -0.195 0.000 1.125 515 I CB 0.293 38.170 38.000 -0.204 0.000 1.034 515 I HN 0.447 nan 8.210 nan 0.000 0.401 516 D N -0.061 120.166 120.400 -0.288 0.000 2.692 516 D HA 0.291 4.932 4.640 0.001 0.000 0.303 516 D C -1.047 175.144 176.300 -0.182 0.000 1.278 516 D CA -0.575 53.286 54.000 -0.232 0.000 0.852 516 D CB 1.292 41.984 40.800 -0.180 0.000 1.375 516 D HN 0.150 nan 8.370 nan 0.000 0.453 517 H N 0.992 120.079 119.070 0.029 0.000 3.046 517 H HA 0.203 4.760 4.556 0.001 0.000 0.303 517 H C 0.321 175.657 175.328 0.015 0.000 1.002 517 H CA 0.827 56.892 56.048 0.028 0.000 1.460 517 H CB -0.120 29.677 29.762 0.059 0.000 1.493 517 H HN 0.375 nan 8.280 nan 0.000 0.559 518 N N 1.068 119.835 118.700 0.111 0.000 2.878 518 N HA -0.188 4.553 4.740 0.001 0.000 0.247 518 N C -1.076 174.431 175.510 -0.004 0.000 1.021 518 N CA 0.712 53.797 53.050 0.059 0.000 0.873 518 N CB -0.792 37.752 38.487 0.095 0.000 1.128 518 N HN 0.479 nan 8.380 nan 0.000 0.571 519 I N 0.929 121.448 120.570 -0.086 0.000 2.439 519 I HA 0.352 4.523 4.170 0.001 0.000 0.285 519 I C -0.560 175.394 176.117 -0.272 0.000 1.021 519 I CA -0.832 60.338 61.300 -0.215 0.000 1.091 519 I CB 1.752 39.526 38.000 -0.378 0.000 1.242 519 I HN -0.235 nan 8.210 nan 0.000 0.439 520 V N 5.289 125.070 119.914 -0.223 0.000 2.417 520 V HA 0.457 4.578 4.120 0.001 0.000 0.291 520 V C 0.654 176.600 176.094 -0.247 0.000 1.024 520 V CA -0.536 61.631 62.300 -0.222 0.000 0.861 520 V CB 1.761 33.477 31.823 -0.179 0.000 0.985 520 V HN 0.850 nan 8.190 nan 0.000 0.436 521 G N 3.104 111.763 108.800 -0.236 0.000 2.519 521 G HA2 0.316 4.277 3.960 0.001 0.000 0.306 521 G HA3 0.316 4.277 3.960 0.001 0.000 0.306 521 G C 0.281 175.091 174.900 -0.151 0.000 0.965 521 G CA -0.147 44.848 45.100 -0.175 0.000 1.291 521 G HN 0.655 nan 8.290 nan 0.000 0.450 522 T N 2.604 117.056 114.554 -0.171 0.000 2.867 522 T HA 0.130 4.481 4.350 0.001 0.000 0.297 522 T C 1.109 175.846 174.700 0.061 0.000 0.989 522 T CA 0.233 62.227 62.100 -0.177 0.000 1.159 522 T CB 0.563 69.117 68.868 -0.525 0.000 0.928 522 T HN 0.433 nan 8.240 nan 0.000 0.538 523 T N 5.595 120.133 114.554 -0.027 0.000 2.934 523 T HA 0.158 4.509 4.350 0.001 0.000 0.306 523 T C 0.393 175.067 174.700 -0.044 0.000 1.042 523 T CA 0.036 62.077 62.100 -0.098 0.000 1.145 523 T CB -0.090 68.710 68.868 -0.113 0.000 0.982 523 T HN 0.843 nan 8.240 nan 0.000 0.544 524 H N 0.341 119.242 119.070 -0.282 0.000 2.950 524 H HA 0.504 5.061 4.556 0.002 0.000 0.272 524 H C -1.307 173.826 175.328 -0.325 0.000 1.495 524 H CA -1.139 54.644 56.048 -0.441 0.000 1.183 524 H CB 1.112 30.274 29.762 -1.000 0.000 1.867 524 H HN 0.519 nan 8.280 nan 0.000 0.597 525 Q N 0.303 119.944 119.800 -0.265 0.000 2.394 525 Q HA 0.338 4.679 4.340 0.001 0.000 0.273 525 Q C -1.024 174.828 176.000 -0.246 0.000 1.089 525 Q CA -0.920 54.764 55.803 -0.199 0.000 0.812 525 Q CB 2.898 31.581 28.738 -0.091 0.000 1.353 525 Q HN 0.504 nan 8.270 nan 0.000 0.438 526 H N 1.806 120.874 119.070 -0.004 0.000 2.504 526 H HA 0.445 5.002 4.556 0.001 0.000 0.322 526 H C -0.679 174.485 175.328 -0.274 0.000 1.055 526 H CA -0.250 55.719 56.048 -0.132 0.000 1.231 526 H CB 0.907 30.630 29.762 -0.066 0.000 1.417 526 H HN 0.442 nan 8.280 nan 0.000 0.472 527 I N 4.763 125.180 120.570 -0.255 0.000 2.411 527 I HA 0.171 4.341 4.170 0.001 0.000 0.284 527 I C -0.857 175.162 176.117 -0.164 0.000 1.012 527 I CA -0.601 60.626 61.300 -0.122 0.000 1.119 527 I CB 0.805 38.799 38.000 -0.009 0.000 1.261 527 I HN 0.395 nan 8.210 nan 0.000 0.448 528 Y N 4.319 124.744 120.300 0.208 0.000 2.420 528 Y HA 0.506 5.057 4.550 0.001 0.000 0.334 528 Y C 0.085 176.003 175.900 0.029 0.000 1.094 528 Y CA -0.868 57.273 58.100 0.069 0.000 1.126 528 Y CB 1.404 39.905 38.460 0.068 0.000 1.217 528 Y HN 0.496 nan 8.280 nan 0.000 0.462 529 N N 1.314 119.970 118.700 -0.073 0.000 2.295 529 N HA 0.560 5.301 4.740 0.001 0.000 0.293 529 N C -2.167 173.133 175.510 -0.350 0.000 1.040 529 N CA -0.469 52.557 53.050 -0.039 0.000 0.840 529 N CB 0.996 39.490 38.487 0.012 0.000 1.468 529 N HN 0.396 nan 8.380 nan 0.000 0.478 530 F N 1.381 121.446 119.950 0.193 0.000 2.467 530 F HA 0.467 4.995 4.527 0.001 0.000 0.336 530 F C 0.554 176.365 175.800 0.019 0.000 1.123 530 F CA -0.829 57.231 58.000 0.099 0.000 0.964 530 F CB 1.706 40.736 39.000 0.050 0.000 1.136 530 F HN 0.255 nan 8.300 nan 0.000 0.447 531 R N 4.790 125.294 120.500 0.007 0.000 2.198 531 R HA 0.573 4.914 4.340 0.001 0.000 0.339 531 R C -1.653 174.483 176.300 -0.274 0.000 1.020 531 R CA -0.359 55.456 56.100 -0.474 0.000 0.864 531 R CB 0.342 30.177 30.300 -0.776 0.000 1.105 531 R HN 0.774 nan 8.270 nan 0.000 0.463 532 L N 4.469 125.530 121.223 -0.271 0.000 2.366 532 L HA 0.233 4.574 4.340 0.001 0.000 0.266 532 L C -0.306 176.492 176.870 -0.120 0.000 1.010 532 L CA -0.775 53.999 54.840 -0.109 0.000 0.879 532 L CB 1.615 43.667 42.059 -0.012 0.000 1.228 532 L HN 0.474 nan 8.230 nan 0.000 0.439 533 D N 4.199 124.545 120.400 -0.089 0.000 2.600 533 D HA 0.170 4.811 4.640 0.001 0.000 0.226 533 D C 0.022 176.366 176.300 0.073 0.000 1.119 533 D CA 0.061 54.072 54.000 0.019 0.000 1.051 533 D CB 0.089 40.956 40.800 0.111 0.000 1.106 533 D HN 0.321 nan 8.370 nan 0.000 0.491 534 L N 2.026 123.277 121.223 0.047 0.000 2.416 534 L HA 0.189 4.529 4.340 0.001 0.000 0.272 534 L C 0.349 177.282 176.870 0.106 0.000 1.161 534 L CA 0.124 54.996 54.840 0.053 0.000 0.845 534 L CB 0.681 42.737 42.059 -0.005 0.000 1.119 534 L HN 0.078 nan 8.230 nan 0.000 0.464 535 D N 2.602 123.093 120.400 0.151 0.000 2.408 535 D HA 0.183 4.824 4.640 0.001 0.000 0.261 535 D C -0.537 175.830 176.300 0.112 0.000 1.190 535 D CA -0.235 53.853 54.000 0.147 0.000 0.910 535 D CB 1.751 42.693 40.800 0.237 0.000 1.097 535 D HN 0.035 nan 8.370 nan 0.000 0.522 536 V N 2.761 122.744 119.914 0.114 0.000 2.341 536 V HA 0.023 4.144 4.120 0.001 0.000 0.248 536 V C 0.738 176.949 176.094 0.195 0.000 1.107 536 V CA -0.059 62.364 62.300 0.204 0.000 1.069 536 V CB -0.078 31.896 31.823 0.252 0.000 1.177 536 V HN 0.556 nan 8.190 nan 0.000 0.492 537 D N 3.648 124.159 120.400 0.186 0.000 2.746 537 D HA -0.100 4.541 4.640 0.001 0.000 0.236 537 D C 0.300 176.558 176.300 -0.070 0.000 1.129 537 D CA 1.748 55.761 54.000 0.022 0.000 0.691 537 D CB -1.040 39.694 40.800 -0.111 0.000 1.077 537 D HN 1.334 nan 8.370 nan 0.000 0.432 538 G N -0.882 107.855 108.800 -0.105 0.000 2.375 538 G HA2 0.068 4.029 3.960 0.001 0.000 0.663 538 G HA3 0.068 4.029 3.960 0.001 0.000 0.663 538 G C 0.280 175.148 174.900 -0.054 0.000 1.391 538 G CA 0.073 45.101 45.100 -0.121 0.000 0.949 538 G HN 0.053 nan 8.290 nan 0.000 0.646 539 E N 0.039 120.206 120.200 -0.055 0.000 2.216 539 E HA 0.013 4.363 4.350 0.001 0.000 0.192 539 E C 1.032 177.639 176.600 0.012 0.000 0.988 539 E CA 0.579 56.972 56.400 -0.011 0.000 0.834 539 E CB 0.102 29.780 29.700 -0.036 0.000 0.772 539 E HN 0.393 nan 8.360 nan 0.000 0.479 540 N N 2.350 121.052 118.700 0.004 0.000 2.439 540 N HA 0.120 4.860 4.740 0.001 0.000 0.243 540 N C -0.822 174.708 175.510 0.032 0.000 1.088 540 N CA 0.045 53.107 53.050 0.020 0.000 0.940 540 N CB 0.559 39.052 38.487 0.009 0.000 1.180 540 N HN 0.063 nan 8.380 nan 0.000 0.505 541 N N 0.101 118.831 118.700 0.050 0.000 2.312 541 N HA 0.418 5.159 4.740 0.001 0.000 0.296 541 N C -0.701 174.846 175.510 0.062 0.000 1.193 541 N CA -0.395 52.691 53.050 0.060 0.000 0.773 541 N CB 1.674 40.207 38.487 0.077 0.000 1.435 541 N HN 0.164 nan 8.380 nan 0.000 0.484 542 S N 0.316 116.051 115.700 0.057 0.000 2.600 542 S HA 0.526 4.997 4.470 0.001 0.000 0.300 542 S C -0.879 173.750 174.600 0.048 0.000 1.087 542 S CA -0.584 57.648 58.200 0.054 0.000 0.965 542 S CB 1.762 64.987 63.200 0.042 0.000 1.089 542 S HN 0.402 nan 8.310 nan 0.000 0.496 543 L N 2.951 124.202 121.223 0.047 0.000 2.275 543 L HA 0.645 4.986 4.340 0.001 0.000 0.288 543 L C -1.197 175.664 176.870 -0.016 0.000 1.046 543 L CA -0.067 54.790 54.840 0.028 0.000 0.805 543 L CB 0.799 42.890 42.059 0.053 0.000 1.193 543 L HN 0.428 nan 8.230 nan 0.000 0.426 544 V N 4.725 124.597 119.914 -0.069 0.000 2.604 544 V HA 0.802 4.923 4.120 0.001 0.000 0.305 544 V C 0.071 176.017 176.094 -0.247 0.000 1.043 544 V CA -0.647 61.565 62.300 -0.148 0.000 0.888 544 V CB 1.491 33.233 31.823 -0.134 0.000 0.995 544 V HN 0.941 nan 8.190 nan 0.000 0.429 545 A N 5.926 128.482 122.820 -0.440 0.000 2.301 545 A HA 0.901 5.222 4.320 0.001 0.000 0.312 545 A C -0.400 176.883 177.584 -0.501 0.000 1.182 545 A CA -0.502 51.198 52.037 -0.562 0.000 0.826 545 A CB 0.665 19.045 19.000 -1.032 0.000 1.134 545 A HN 0.836 nan 8.150 nan 0.000 0.501 546 M N 2.886 122.294 119.600 -0.321 0.000 2.053 546 M HA 0.258 4.739 4.480 0.001 0.000 0.297 546 M C -1.579 174.655 176.300 -0.111 0.000 0.921 546 M CA -0.510 54.670 55.300 -0.200 0.000 0.918 546 M CB 1.696 34.180 32.600 -0.195 0.000 1.499 546 M HN 0.531 nan 8.290 nan 0.000 0.422 547 D N 5.166 125.545 120.400 -0.035 0.000 2.373 547 D HA 0.370 5.011 4.640 0.001 0.000 0.227 547 D C -2.444 173.874 176.300 0.030 0.000 1.091 547 D CA -1.405 52.605 54.000 0.016 0.000 0.840 547 D CB 1.219 42.072 40.800 0.089 0.000 1.060 547 D HN 0.145 nan 8.370 nan 0.000 0.502 548 P HA -0.003 nan 4.420 nan 0.000 0.264 548 P C -0.434 176.883 177.300 0.029 0.000 1.193 548 P CA -0.143 62.976 63.100 0.030 0.000 0.763 548 P CB 0.721 32.439 31.700 0.029 0.000 0.810 549 V N 1.160 121.093 119.914 0.032 0.000 3.078 549 V HA 0.550 4.671 4.120 0.001 0.000 0.311 549 V C -0.619 175.489 176.094 0.024 0.000 1.138 549 V CA -1.083 61.233 62.300 0.027 0.000 1.007 549 V CB 2.256 34.098 31.823 0.032 0.000 1.045 549 V HN 0.087 nan 8.190 nan 0.000 0.432 550 V N 3.426 123.351 119.914 0.018 0.000 2.364 550 V HA 0.553 4.674 4.120 0.001 0.000 0.272 550 V C -0.012 176.090 176.094 0.015 0.000 1.036 550 V CA -0.368 61.941 62.300 0.016 0.000 0.880 550 V CB 0.931 32.762 31.823 0.012 0.000 0.991 550 V HN 0.883 nan 8.190 nan 0.000 0.460 551 K N 5.664 126.074 120.400 0.016 0.000 2.203 551 K HA 0.564 4.885 4.320 0.001 0.000 0.251 551 K C -2.747 173.860 176.600 0.012 0.000 0.944 551 K CA -2.866 53.430 56.287 0.014 0.000 0.829 551 K CB 1.628 34.138 32.500 0.017 0.000 1.125 551 K HN 0.212 nan 8.250 nan 0.000 0.430 552 P HA -0.068 nan 4.420 nan 0.000 0.264 552 P C -0.216 177.089 177.300 0.009 0.000 1.183 552 P CA 0.203 63.308 63.100 0.008 0.000 0.763 552 P CB 0.284 31.988 31.700 0.007 0.000 0.807 553 N N 1.946 120.651 118.700 0.008 0.000 2.416 553 N HA 0.023 4.764 4.740 0.001 0.000 0.265 553 N C 0.445 175.959 175.510 0.007 0.000 1.195 553 N CA -0.034 53.021 53.050 0.008 0.000 0.943 553 N CB 0.261 38.752 38.487 0.007 0.000 1.115 553 N HN 0.366 nan 8.380 nan 0.000 0.481 554 T N 0.585 115.144 114.554 0.008 0.000 3.223 554 T HA 0.310 4.661 4.350 0.001 0.000 0.259 554 T C 0.767 175.471 174.700 0.006 0.000 1.015 554 T CA -0.359 61.745 62.100 0.007 0.000 0.908 554 T CB 0.425 69.298 68.868 0.007 0.000 1.054 554 T HN 0.418 nan 8.240 nan 0.000 0.567 555 A N 0.375 123.198 122.820 0.006 0.000 2.508 555 A HA 0.779 5.100 4.320 0.001 0.000 0.257 555 A C 1.360 178.947 177.584 0.005 0.000 1.226 555 A CA 0.023 52.063 52.037 0.006 0.000 0.947 555 A CB -0.525 18.479 19.000 0.006 0.000 1.079 555 A HN 1.314 nan 8.150 nan 0.000 0.531 556 G N -0.984 107.819 108.800 0.005 0.000 2.752 556 G HA2 0.400 4.361 3.960 0.001 0.000 0.234 556 G HA3 0.400 4.361 3.960 0.001 0.000 0.234 556 G C 0.982 175.884 174.900 0.004 0.000 1.367 556 G CA 0.051 45.154 45.100 0.004 0.000 0.879 556 G HN 2.538 nan 8.290 nan 0.000 0.563 557 G N -2.171 106.631 108.800 0.003 0.000 2.796 557 G HA2 0.264 4.224 3.960 0.001 0.000 0.571 557 G HA3 0.264 4.224 3.960 0.001 0.000 0.571 557 G C -0.834 174.068 174.900 0.003 0.000 1.370 557 G CA 0.519 45.621 45.100 0.003 0.000 0.856 557 G HN 1.430 nan 8.290 nan 0.000 0.538 558 P HA 0.102 nan 4.420 nan 0.000 0.229 558 P C 0.917 178.219 177.300 0.004 0.000 1.160 558 P CA 0.453 63.555 63.100 0.003 0.000 0.777 558 P CB 0.144 31.846 31.700 0.003 0.000 0.814 559 R N 0.237 120.740 120.500 0.004 0.000 2.590 559 R HA 0.094 4.435 4.340 0.001 0.000 0.274 559 R C 1.486 177.789 176.300 0.005 0.000 1.061 559 R CA 0.787 56.890 56.100 0.005 0.000 1.081 559 R CB 0.001 30.305 30.300 0.006 0.000 0.984 559 R HN 0.172 nan 8.270 nan 0.000 0.448 560 T N -2.430 112.128 114.554 0.005 0.000 3.051 560 T HA 0.014 4.365 4.350 0.001 0.000 0.255 560 T C 0.733 175.437 174.700 0.006 0.000 1.085 560 T CA 0.420 62.524 62.100 0.005 0.000 1.109 560 T CB 0.200 69.071 68.868 0.005 0.000 0.921 560 T HN 0.550 nan 8.240 nan 0.000 0.488 561 S N 0.661 116.365 115.700 0.007 0.000 2.588 561 S HA 0.706 5.177 4.470 0.001 0.000 0.275 561 S C -0.517 174.089 174.600 0.010 0.000 1.130 561 S CA -0.432 57.773 58.200 0.009 0.000 0.855 561 S CB 1.989 65.194 63.200 0.009 0.000 1.116 561 S HN 0.664 nan 8.310 nan 0.000 0.472 562 T N -1.187 113.374 114.554 0.012 0.000 2.887 562 T HA 0.714 5.065 4.350 0.001 0.000 0.292 562 T C -0.639 174.071 174.700 0.017 0.000 1.087 562 T CA -1.012 61.096 62.100 0.014 0.000 1.009 562 T CB 1.227 70.103 68.868 0.014 0.000 1.203 562 T HN 0.682 nan 8.240 nan 0.000 0.518 563 M N 2.019 121.631 119.600 0.019 0.000 2.101 563 M HA 0.438 4.919 4.480 0.001 0.000 0.340 563 M C -0.285 176.032 176.300 0.029 0.000 1.057 563 M CA -0.475 54.840 55.300 0.024 0.000 0.984 563 M CB 1.506 34.121 32.600 0.025 0.000 1.560 563 M HN 0.620 nan 8.290 nan 0.000 0.435 564 Q N 1.526 121.345 119.800 0.032 0.000 2.668 564 Q HA 0.804 5.145 4.340 0.001 0.000 0.298 564 Q C -1.303 174.723 176.000 0.044 0.000 1.071 564 Q CA -1.190 54.635 55.803 0.037 0.000 0.789 564 Q CB 3.243 32.001 28.738 0.033 0.000 1.497 564 Q HN 0.466 nan 8.270 nan 0.000 0.460 565 V N 1.310 121.254 119.914 0.050 0.000 2.531 565 V HA 0.252 4.373 4.120 0.001 0.000 0.301 565 V C -0.643 175.488 176.094 0.062 0.000 1.034 565 V CA -0.809 61.523 62.300 0.053 0.000 0.865 565 V CB 1.624 33.481 31.823 0.058 0.000 0.995 565 V HN 0.676 nan 8.190 nan 0.000 0.424 566 N N 4.294 123.042 118.700 0.081 0.000 2.401 566 N HA 0.191 4.932 4.740 0.001 0.000 0.255 566 N C -0.502 175.098 175.510 0.151 0.000 1.110 566 N CA -0.198 52.933 53.050 0.135 0.000 0.949 566 N CB 0.969 39.557 38.487 0.167 0.000 1.110 566 N HN 0.754 nan 8.380 nan 0.000 0.490 567 Q N 3.707 123.583 119.800 0.127 0.000 2.271 567 Q HA 0.279 4.620 4.340 0.001 0.000 0.258 567 Q C -1.624 174.466 176.000 0.149 0.000 0.936 567 Q CA -0.708 55.115 55.803 0.033 0.000 0.909 567 Q CB 0.854 29.603 28.738 0.018 0.000 1.253 567 Q HN 0.634 nan 8.270 nan 0.000 0.440 568 Y N 0.297 120.597 120.300 0.000 0.000 2.609 568 Y HA 0.517 5.068 4.550 0.001 0.000 0.336 568 Y C -1.272 174.632 175.900 0.007 0.000 1.129 568 Y CA -1.562 56.541 58.100 0.006 0.000 1.040 568 Y CB 0.711 39.175 38.460 0.007 0.000 1.310 568 Y HN 0.477 nan 8.280 nan 0.000 0.460 569 N N 0.953 119.737 118.700 0.140 0.000 2.513 569 N HA 0.493 5.234 4.740 0.001 0.000 0.274 569 N C -1.212 174.392 175.510 0.158 0.000 1.189 569 N CA -0.285 52.816 53.050 0.086 0.000 0.975 569 N CB 0.854 39.386 38.487 0.075 0.000 1.157 569 N HN 0.682 nan 8.380 nan 0.000 0.465 570 I N 0.902 121.531 120.570 0.098 0.000 2.428 570 I HA 0.259 4.430 4.170 0.001 0.000 0.279 570 I C 1.190 177.365 176.117 0.096 0.000 1.040 570 I CA -0.362 61.010 61.300 0.120 0.000 1.171 570 I CB 1.371 39.430 38.000 0.098 0.000 1.312 570 I HN 0.712 nan 8.210 nan 0.000 0.470 571 G N 5.750 114.606 108.800 0.094 0.000 2.623 571 G HA2 -0.014 3.947 3.960 0.001 0.000 0.214 571 G HA3 -0.014 3.947 3.960 0.001 0.000 0.214 571 G C 0.429 175.378 174.900 0.080 0.000 1.138 571 G CA 0.122 45.270 45.100 0.080 0.000 0.794 571 G HN 0.652 nan 8.290 nan 0.000 0.535 572 N N -0.981 117.770 118.700 0.085 0.000 2.610 572 N HA 0.148 4.889 4.740 0.001 0.000 0.264 572 N C -0.000 175.570 175.510 0.101 0.000 1.348 572 N CA -0.589 52.514 53.050 0.089 0.000 0.819 572 N CB 1.171 39.704 38.487 0.076 0.000 1.521 572 N HN -0.022 nan 8.380 nan 0.000 0.497 573 E N 0.019 120.288 120.200 0.116 0.000 2.118 573 E HA -0.253 4.098 4.350 0.001 0.000 0.195 573 E C 1.196 177.870 176.600 0.124 0.000 0.992 573 E CA 1.561 58.047 56.400 0.144 0.000 0.804 573 E CB 0.057 29.855 29.700 0.164 0.000 0.741 573 E HN 0.527 nan 8.360 nan 0.000 0.458 574 Q N 0.793 120.649 119.800 0.093 0.000 2.123 574 Q HA -0.130 4.211 4.340 0.001 0.000 0.199 574 Q C 1.373 177.388 176.000 0.026 0.000 0.966 574 Q CA 1.304 57.145 55.803 0.063 0.000 0.845 574 Q CB 0.212 28.986 28.738 0.059 0.000 0.907 574 Q HN 0.163 nan 8.270 nan 0.000 0.439 575 D N -0.473 119.953 120.400 0.043 0.000 2.178 575 D HA -0.073 4.568 4.640 0.001 0.000 0.202 575 D C 1.331 177.652 176.300 0.036 0.000 0.974 575 D CA 1.240 55.264 54.000 0.041 0.000 0.841 575 D CB -0.137 40.703 40.800 0.066 0.000 0.953 575 D HN 0.371 nan 8.370 nan 0.000 0.478 576 A N 0.582 123.434 122.820 0.053 0.000 2.119 576 A HA 0.252 4.573 4.320 0.001 0.000 0.216 576 A C 1.383 178.955 177.584 -0.021 0.000 1.152 576 A CA 0.641 52.714 52.037 0.059 0.000 0.708 576 A CB -0.147 18.925 19.000 0.120 0.000 0.805 576 A HN 0.162 nan 8.150 nan 0.000 0.460 577 A N 1.051 123.796 122.820 -0.123 0.000 2.376 577 A HA 0.519 4.840 4.320 0.001 0.000 0.298 577 A C 0.106 177.442 177.584 -0.413 0.000 1.271 577 A CA -0.207 51.535 52.037 -0.491 0.000 0.926 577 A CB -0.426 18.171 19.000 -0.673 0.000 1.141 577 A HN 0.669 nan 8.150 nan 0.000 0.539 578 Q N 2.159 121.743 119.800 -0.360 0.000 2.462 578 Q HA 0.476 4.816 4.340 0.001 0.000 0.285 578 Q C -1.188 174.753 176.000 -0.098 0.000 1.035 578 Q CA -1.290 54.411 55.803 -0.170 0.000 0.799 578 Q CB 1.137 29.849 28.738 -0.043 0.000 1.452 578 Q HN 0.374 nan 8.270 nan 0.000 0.404 579 K N 0.992 121.374 120.400 -0.031 0.000 2.414 579 K HA 0.167 4.488 4.320 0.001 0.000 0.272 579 K C -0.730 175.956 176.600 0.144 0.000 0.993 579 K CA 0.024 56.341 56.287 0.050 0.000 0.964 579 K CB 0.232 32.748 32.500 0.027 0.000 0.925 579 K HN 0.575 nan 8.250 nan 0.000 0.487 580 F N 2.262 122.228 119.950 0.026 0.000 2.415 580 F HA 0.126 4.654 4.527 0.001 0.000 0.348 580 F C -0.106 175.729 175.800 0.058 0.000 1.119 580 F CA -1.332 56.700 58.000 0.052 0.000 1.069 580 F CB 0.908 39.965 39.000 0.095 0.000 1.124 580 F HN 0.385 nan 8.300 nan 0.000 0.472 581 D N 8.623 128.626 120.400 -0.662 0.000 2.329 581 D HA 0.327 4.968 4.640 0.001 0.000 0.232 581 D C -2.019 173.648 176.300 -1.054 0.000 1.088 581 D CA -2.691 50.956 54.000 -0.588 0.000 0.835 581 D CB 1.994 42.624 40.800 -0.283 0.000 1.078 581 D HN 0.270 nan 8.370 nan 0.000 0.495 582 P HA 0.044 nan 4.420 nan 0.000 0.230 582 P C 1.100 178.275 177.300 -0.209 0.000 1.158 582 P CA 0.355 63.181 63.100 -0.455 0.000 0.769 582 P CB 0.254 32.006 31.700 0.085 0.000 0.807 583 G N -0.293 108.384 108.800 -0.206 0.000 2.920 583 G HA2 0.020 3.981 3.960 0.001 0.000 0.208 583 G HA3 0.020 3.981 3.960 0.001 0.000 0.208 583 G C 0.635 175.481 174.900 -0.091 0.000 1.159 583 G CA 0.495 45.537 45.100 -0.096 0.000 0.784 583 G HN 0.423 nan 8.290 nan 0.000 0.535 584 T N -2.009 112.445 114.554 -0.167 0.000 2.927 584 T HA 0.737 5.088 4.350 0.001 0.000 0.286 584 T C -0.561 174.119 174.700 -0.033 0.000 1.040 584 T CA -0.885 61.156 62.100 -0.097 0.000 1.010 584 T CB 2.320 71.123 68.868 -0.109 0.000 1.177 584 T HN -0.087 nan 8.240 nan 0.000 0.546 585 I N 0.869 121.411 120.570 -0.046 0.000 2.509 585 I HA 0.540 4.711 4.170 0.001 0.000 0.293 585 I C -0.199 175.853 176.117 -0.108 0.000 1.020 585 I CA -1.049 60.198 61.300 -0.088 0.000 1.088 585 I CB 1.879 39.696 38.000 -0.306 0.000 1.267 585 I HN 0.405 nan 8.210 nan 0.000 0.430 586 R N 6.928 127.398 120.500 -0.050 0.000 2.476 586 R HA 0.659 5.000 4.340 0.001 0.000 0.305 586 R C -1.409 174.815 176.300 -0.126 0.000 0.965 586 R CA -0.745 55.316 56.100 -0.066 0.000 0.867 586 R CB 1.998 32.337 30.300 0.066 0.000 1.176 586 R HN 0.551 nan 8.270 nan 0.000 0.447 587 L N 3.297 124.422 121.223 -0.165 0.000 2.346 587 L HA 0.490 4.831 4.340 0.001 0.000 0.276 587 L C -0.376 176.473 176.870 -0.034 0.000 1.006 587 L CA -1.259 53.496 54.840 -0.142 0.000 0.817 587 L CB 1.857 43.757 42.059 -0.264 0.000 1.272 587 L HN 0.221 nan 8.230 nan 0.000 0.421 588 L N 2.526 123.773 121.223 0.040 0.000 2.259 588 L HA 0.373 4.714 4.340 0.001 0.000 0.288 588 L C 0.005 176.936 176.870 0.101 0.000 1.051 588 L CA 0.521 55.406 54.840 0.075 0.000 0.824 588 L CB 0.855 42.975 42.059 0.101 0.000 1.206 588 L HN 0.554 nan 8.230 nan 0.000 0.429 589 S N 3.401 119.143 115.700 0.070 0.000 2.654 589 S HA 0.409 4.880 4.470 0.001 0.000 0.283 589 S C -0.148 174.502 174.600 0.084 0.000 1.180 589 S CA -0.697 57.554 58.200 0.086 0.000 1.021 589 S CB 1.053 64.283 63.200 0.050 0.000 1.018 589 S HN 0.608 nan 8.310 nan 0.000 0.532 590 N N 2.368 121.117 118.700 0.082 0.000 2.527 590 N HA 0.283 5.023 4.740 0.001 0.000 0.236 590 N C -1.945 173.581 175.510 0.026 0.000 0.999 590 N CA -2.141 50.937 53.050 0.047 0.000 0.935 590 N CB 1.276 39.781 38.487 0.029 0.000 1.132 590 N HN 0.219 nan 8.380 nan 0.000 0.511 591 P HA -0.015 nan 4.420 nan 0.000 0.226 591 P C 0.292 177.595 177.300 0.005 0.000 1.153 591 P CA 0.828 63.939 63.100 0.017 0.000 0.777 591 P CB 0.516 32.229 31.700 0.022 0.000 0.794 592 N N 0.009 118.707 118.700 -0.003 0.000 2.463 592 N HA 0.022 4.762 4.740 0.001 0.000 0.181 592 N C 0.446 175.938 175.510 -0.029 0.000 1.078 592 N CA 0.696 53.737 53.050 -0.015 0.000 0.902 592 N CB 0.294 38.770 38.487 -0.018 0.000 0.970 592 N HN 0.332 nan 8.380 nan 0.000 0.451 593 K N 0.808 121.186 120.400 -0.037 0.000 2.501 593 K HA 0.377 4.698 4.320 0.001 0.000 0.252 593 K C -0.774 175.787 176.600 -0.066 0.000 0.934 593 K CA -0.435 55.814 56.287 -0.064 0.000 0.797 593 K CB 2.561 35.001 32.500 -0.099 0.000 1.270 593 K HN -0.029 nan 8.250 nan 0.000 0.431 594 E N 1.362 121.520 120.200 -0.070 0.000 2.312 594 E HA 0.172 4.523 4.350 0.001 0.000 0.267 594 E C -0.812 175.739 176.600 -0.082 0.000 0.894 594 E CA -0.916 55.449 56.400 -0.058 0.000 0.773 594 E CB 2.209 31.890 29.700 -0.032 0.000 1.241 594 E HN 0.668 nan 8.360 nan 0.000 0.432 595 N N 0.171 118.828 118.700 -0.072 0.000 2.364 595 N HA 0.106 4.846 4.740 0.001 0.000 0.264 595 N C 0.903 176.384 175.510 -0.049 0.000 1.263 595 N CA -0.723 52.281 53.050 -0.076 0.000 0.959 595 N CB 1.107 39.550 38.487 -0.073 0.000 1.204 595 N HN 0.402 nan 8.380 nan 0.000 0.550 596 R N -0.613 119.862 120.500 -0.041 0.000 2.249 596 R HA -0.089 4.252 4.340 0.001 0.000 0.230 596 R C 0.791 177.076 176.300 -0.026 0.000 1.121 596 R CA 1.277 57.358 56.100 -0.031 0.000 0.997 596 R CB -0.172 30.113 30.300 -0.026 0.000 0.867 596 R HN 0.646 nan 8.270 nan 0.000 0.465 597 M N -0.638 118.946 119.600 -0.027 0.000 2.495 597 M HA 0.250 4.731 4.480 0.001 0.000 0.237 597 M C 0.916 177.209 176.300 -0.012 0.000 1.131 597 M CA 0.835 56.123 55.300 -0.021 0.000 1.032 597 M CB 1.170 33.755 32.600 -0.025 0.000 1.513 597 M HN 0.375 nan 8.290 nan 0.000 0.488 598 G N 0.631 109.423 108.800 -0.014 0.000 2.143 598 G HA2 -0.284 3.677 3.960 0.001 0.000 0.249 598 G HA3 -0.284 3.677 3.960 0.001 0.000 0.249 598 G C -0.086 174.817 174.900 0.005 0.000 0.981 598 G CA -0.002 45.094 45.100 -0.006 0.000 0.665 598 G HN 0.520 nan 8.290 nan 0.000 0.528 599 N N 1.521 120.226 118.700 0.009 0.000 2.438 599 N HA 0.525 5.266 4.740 0.001 0.000 0.282 599 N C -2.658 172.872 175.510 0.033 0.000 1.037 599 N CA -1.683 51.389 53.050 0.037 0.000 0.942 599 N CB 1.551 40.072 38.487 0.058 0.000 1.136 599 N HN -0.004 nan 8.380 nan 0.000 0.481 600 P HA -0.051 nan 4.420 nan 0.000 0.264 600 P C -0.454 176.886 177.300 0.066 0.000 1.193 600 P CA -0.322 62.802 63.100 0.039 0.000 0.763 600 P CB 0.398 32.127 31.700 0.048 0.000 0.810 601 V N 1.650 121.573 119.914 0.016 0.000 2.529 601 V HA 0.372 4.493 4.120 0.001 0.000 0.292 601 V C -0.003 176.209 176.094 0.196 0.000 1.028 601 V CA 0.344 62.660 62.300 0.026 0.000 1.074 601 V CB -0.177 31.507 31.823 -0.232 0.000 0.958 601 V HN 0.452 nan 8.190 nan 0.000 0.481 602 S N 3.330 119.217 115.700 0.311 0.000 2.627 602 S HA 0.754 5.224 4.470 0.001 0.000 0.283 602 S C -1.327 173.464 174.600 0.318 0.000 1.127 602 S CA -0.469 57.918 58.200 0.313 0.000 0.863 602 S CB 1.674 65.001 63.200 0.212 0.000 1.121 602 S HN 0.717 nan 8.310 nan 0.000 0.479 603 Y N 1.733 122.106 120.300 0.122 0.000 2.377 603 Y HA 0.453 5.004 4.550 0.002 0.000 0.339 603 Y C 0.290 176.209 175.900 0.031 0.000 1.011 603 Y CA -0.528 57.608 58.100 0.060 0.000 1.093 603 Y CB 1.493 39.947 38.460 -0.011 0.000 1.201 603 Y HN 0.592 nan 8.280 nan 0.000 0.455 604 Q N 4.127 123.997 119.800 0.118 0.000 2.256 604 Q HA 0.526 4.867 4.340 0.001 0.000 0.254 604 Q C -1.444 174.589 176.000 0.055 0.000 0.916 604 Q CA -0.448 55.375 55.803 0.033 0.000 0.932 604 Q CB 0.732 29.512 28.738 0.071 0.000 1.207 604 Q HN 0.723 nan 8.270 nan 0.000 0.426 605 I N 5.856 126.424 120.570 -0.003 0.000 2.330 605 I HA 0.310 4.481 4.170 0.001 0.000 0.289 605 I C -0.449 175.556 176.117 -0.187 0.000 1.001 605 I CA -0.497 60.772 61.300 -0.051 0.000 1.193 605 I CB 1.103 39.077 38.000 -0.044 0.000 1.345 605 I HN 0.584 nan 8.210 nan 0.000 0.461 606 I N 8.714 129.157 120.570 -0.212 0.000 2.502 606 I HA 0.254 4.424 4.170 0.001 0.000 0.276 606 I C -1.682 174.219 176.117 -0.360 0.000 1.057 606 I CA -1.510 59.584 61.300 -0.343 0.000 1.163 606 I CB 1.288 39.250 38.000 -0.063 0.000 1.288 606 I HN 0.353 nan 8.210 nan 0.000 0.479 607 P HA -0.140 nan 4.420 nan 0.000 0.226 607 P C -0.234 177.111 177.300 0.076 0.000 1.153 607 P CA 1.121 64.102 63.100 -0.199 0.000 0.777 607 P CB 0.027 31.618 31.700 -0.182 0.000 0.794 608 Y N 0.104 120.403 120.300 -0.002 0.000 2.333 608 Y HA 0.593 5.144 4.550 0.001 0.000 0.324 608 Y C -0.121 175.908 175.900 0.216 0.000 1.033 608 Y CA -1.290 56.928 58.100 0.196 0.000 1.224 608 Y CB 1.079 39.728 38.460 0.315 0.000 1.120 608 Y HN -0.146 nan 8.280 nan 0.000 0.457 609 A N 3.886 126.498 122.820 -0.347 0.000 2.564 609 A HA 0.736 5.057 4.320 0.001 0.000 0.279 609 A C 0.663 177.975 177.584 -0.453 0.000 1.232 609 A CA 0.238 52.094 52.037 -0.301 0.000 0.950 609 A CB -0.552 18.377 19.000 -0.119 0.000 1.138 609 A HN 1.647 nan 8.150 nan 0.000 0.526 610 G N -2.162 106.036 108.800 -1.003 0.000 2.392 610 G HA2 0.528 4.488 3.960 0.001 0.000 0.677 610 G HA3 0.528 4.488 3.960 0.001 0.000 0.677 610 G C -0.292 174.641 174.900 0.055 0.000 1.334 610 G CA -0.217 44.581 45.100 -0.502 0.000 0.961 610 G HN 1.874 nan 8.290 nan 0.000 0.616 611 G N -1.974 106.986 108.800 0.266 0.000 2.579 611 G HA2 0.725 4.685 3.960 0.001 0.000 0.292 611 G HA3 0.725 4.685 3.960 0.001 0.000 0.292 611 G C 0.552 175.589 174.900 0.228 0.000 1.484 611 G CA 0.920 46.194 45.100 0.290 0.000 0.813 611 G HN 1.936 nan 8.290 nan 0.000 0.515 612 T N -2.444 112.196 114.554 0.144 0.000 3.081 612 T HA 0.227 4.578 4.350 0.001 0.000 0.255 612 T C 0.690 175.436 174.700 0.078 0.000 1.113 612 T CA 0.722 62.870 62.100 0.081 0.000 1.082 612 T CB 0.012 68.894 68.868 0.022 0.000 0.939 612 T HN 0.429 nan 8.240 nan 0.000 0.506 613 H N 1.534 120.635 119.070 0.053 0.000 2.651 613 H HA 0.575 5.132 4.556 0.001 0.000 0.353 613 H C -2.462 172.898 175.328 0.053 0.000 1.178 613 H CA -2.632 53.422 56.048 0.010 0.000 1.224 613 H CB 1.034 30.765 29.762 -0.052 0.000 1.702 613 H HN 0.038 nan 8.280 nan 0.000 0.550 614 P HA -0.060 nan 4.420 nan 0.000 0.267 614 P C -0.356 176.981 177.300 0.061 0.000 1.201 614 P CA 0.028 63.171 63.100 0.071 0.000 0.775 614 P CB 0.587 32.290 31.700 0.005 0.000 0.854 615 V N 2.016 121.927 119.914 -0.004 0.000 2.567 615 V HA 0.521 4.642 4.120 0.001 0.000 0.289 615 V C -0.030 176.021 176.094 -0.072 0.000 1.049 615 V CA -0.669 61.579 62.300 -0.086 0.000 0.969 615 V CB 0.928 32.509 31.823 -0.404 0.000 0.995 615 V HN 0.702 nan 8.190 nan 0.000 0.471 616 A N 6.595 129.396 122.820 -0.031 0.000 2.396 616 A HA 0.410 4.730 4.320 0.001 0.000 0.279 616 A C 0.978 178.549 177.584 -0.023 0.000 1.165 616 A CA -0.413 51.616 52.037 -0.013 0.000 0.824 616 A CB 0.228 19.245 19.000 0.028 0.000 1.100 616 A HN 0.890 nan 8.150 nan 0.000 0.516 617 K N 2.380 122.766 120.400 -0.023 0.000 2.116 617 K HA 0.081 4.402 4.320 0.001 0.000 0.203 617 K C 1.028 177.645 176.600 0.029 0.000 1.052 617 K CA 1.296 57.576 56.287 -0.012 0.000 0.952 617 K CB -0.001 32.489 32.500 -0.018 0.000 0.729 617 K HN 0.788 nan 8.250 nan 0.000 0.446 618 G N -0.198 108.628 108.800 0.044 0.000 2.782 618 G HA2 0.498 4.458 3.960 0.001 0.000 0.304 618 G HA3 0.498 4.458 3.960 0.001 0.000 0.304 618 G C -1.487 173.467 174.900 0.090 0.000 1.315 618 G CA -0.356 44.791 45.100 0.077 0.000 0.791 618 G HN 0.150 nan 8.290 nan 0.000 0.519 619 A N 0.036 122.939 122.820 0.138 0.000 2.566 619 A HA 0.379 4.699 4.320 0.001 0.000 0.245 619 A C 0.494 178.216 177.584 0.230 0.000 1.056 619 A CA 0.327 52.513 52.037 0.248 0.000 0.757 619 A CB 0.084 19.296 19.000 0.355 0.000 0.979 619 A HN 0.364 nan 8.150 nan 0.000 0.508 620 Q N 1.981 121.817 119.800 0.060 0.000 3.179 620 Q HA 0.314 4.655 4.340 0.001 0.000 0.328 620 Q C -1.356 174.401 176.000 -0.405 0.000 1.336 620 Q CA 0.620 56.331 55.803 -0.153 0.000 0.939 620 Q CB -0.729 27.874 28.738 -0.225 0.000 1.658 620 Q HN 0.582 nan 8.270 nan 0.000 0.486 621 F N -0.567 119.428 119.950 0.076 0.000 2.588 621 F HA 0.569 5.097 4.527 0.001 0.000 0.310 621 F C 0.324 176.100 175.800 -0.040 0.000 1.082 621 F CA -1.424 56.614 58.000 0.065 0.000 0.929 621 F CB 1.136 40.232 39.000 0.160 0.000 1.254 621 F HN 0.048 nan 8.300 nan 0.000 0.455 622 A N 3.313 126.199 122.820 0.109 0.000 2.483 622 A HA 0.310 4.631 4.320 0.001 0.000 0.238 622 A C -1.565 175.829 177.584 -0.317 0.000 1.070 622 A CA -0.962 51.031 52.037 -0.074 0.000 0.770 622 A CB -0.268 18.708 19.000 -0.040 0.000 1.008 622 A HN 0.589 nan 8.150 nan 0.000 0.497 623 P HA -0.177 nan 4.420 nan 0.000 0.220 623 P C 0.383 177.385 177.300 -0.497 0.000 1.144 623 P CA 1.629 64.212 63.100 -0.862 0.000 0.800 623 P CB -0.053 31.373 31.700 -0.456 0.000 0.772 624 D N -1.452 118.775 120.400 -0.288 0.000 2.328 624 D HA -0.025 4.616 4.640 0.001 0.000 0.221 624 D C 0.358 176.528 176.300 -0.216 0.000 1.072 624 D CA 0.069 53.927 54.000 -0.237 0.000 0.850 624 D CB -0.463 40.226 40.800 -0.184 0.000 0.922 624 D HN 0.089 nan 8.370 nan 0.000 0.516 625 E N 0.073 120.217 120.200 -0.094 0.000 2.373 625 E HA -0.026 4.324 4.350 0.001 0.000 0.267 625 E C 0.383 176.965 176.600 -0.030 0.000 1.032 625 E CA -0.272 56.143 56.400 0.025 0.000 0.889 625 E CB 0.669 30.466 29.700 0.162 0.000 0.984 625 E HN 0.286 nan 8.360 nan 0.000 0.425 626 W N 2.196 123.514 121.300 0.030 0.000 2.333 626 W HA -0.160 4.501 4.660 0.002 0.000 0.316 626 W C 2.250 178.734 176.519 -0.058 0.000 1.215 626 W CA 0.360 57.693 57.345 -0.021 0.000 1.278 626 W CB -0.360 28.974 29.460 -0.210 0.000 1.154 626 W HN 0.617 nan 8.180 nan 0.000 0.486 627 I N -0.614 119.957 120.570 0.001 0.000 2.236 627 I HA -0.415 3.756 4.170 0.001 0.000 0.249 627 I C 2.429 178.418 176.117 -0.212 0.000 1.102 627 I CA 1.734 62.921 61.300 -0.188 0.000 1.365 627 I CB -0.362 37.381 38.000 -0.429 0.000 1.051 627 I HN 0.116 nan 8.210 nan 0.000 0.420 628 Y N 0.310 120.438 120.300 -0.287 0.000 2.133 628 Y HA -0.361 4.190 4.550 0.001 0.000 0.287 628 Y C 2.652 178.512 175.900 -0.067 0.000 1.134 628 Y CA 2.313 60.301 58.100 -0.186 0.000 1.133 628 Y CB -0.516 37.886 38.460 -0.097 0.000 0.987 628 Y HN 0.356 nan 8.280 nan 0.000 0.502 629 H N 0.263 119.395 119.070 0.104 0.000 2.290 629 H HA -0.133 4.424 4.556 0.001 0.000 0.298 629 H C 2.177 177.507 175.328 0.004 0.000 1.087 629 H CA 2.410 58.491 56.048 0.055 0.000 1.291 629 H CB -0.206 29.546 29.762 -0.017 0.000 1.369 629 H HN 0.241 nan 8.280 nan 0.000 0.492 630 R N -0.420 120.072 120.500 -0.013 0.000 2.241 630 R HA 0.007 4.348 4.340 0.001 0.000 0.224 630 R C 0.266 176.460 176.300 -0.177 0.000 1.101 630 R CA 1.136 57.178 56.100 -0.098 0.000 0.995 630 R CB 0.111 30.424 30.300 0.021 0.000 0.870 630 R HN 0.304 nan 8.270 nan 0.000 0.463 631 L N 0.179 121.266 121.223 -0.226 0.000 2.625 631 L HA 0.221 4.562 4.340 0.001 0.000 0.255 631 L C 0.544 177.189 176.870 -0.375 0.000 1.493 631 L CA -0.293 54.404 54.840 -0.238 0.000 0.796 631 L CB 1.651 43.565 42.059 -0.242 0.000 1.064 631 L HN -0.010 nan 8.230 nan 0.000 0.516 632 S N 0.719 116.241 115.700 -0.295 0.000 2.392 632 S HA -0.273 4.198 4.470 0.001 0.000 0.232 632 S C 1.809 176.398 174.600 -0.018 0.000 1.041 632 S CA 2.094 60.176 58.200 -0.196 0.000 1.026 632 S CB -0.385 62.785 63.200 -0.051 0.000 0.845 632 S HN 0.734 nan 8.310 nan 0.000 0.465 633 F N 1.450 121.259 119.950 -0.235 0.000 2.225 633 F HA -0.162 4.366 4.527 0.001 0.000 0.302 633 F C 1.976 177.874 175.800 0.163 0.000 1.068 633 F CA 1.185 59.087 58.000 -0.162 0.000 1.327 633 F CB -0.746 38.013 39.000 -0.402 0.000 1.043 633 F HN 0.087 nan 8.300 nan 0.000 0.506 634 M N 0.273 119.477 119.600 -0.659 0.000 2.296 634 M HA -0.157 4.324 4.480 0.001 0.000 0.265 634 M C 1.150 177.401 176.300 -0.083 0.000 1.064 634 M CA 1.774 56.798 55.300 -0.460 0.000 1.109 634 M CB -0.389 31.910 32.600 -0.503 0.000 1.396 634 M HN 0.152 nan 8.290 nan 0.000 0.430 635 D N -0.403 119.989 120.400 -0.014 0.000 2.367 635 D HA 0.045 4.686 4.640 0.001 0.000 0.207 635 D C -0.239 176.103 176.300 0.070 0.000 1.034 635 D CA 0.559 54.586 54.000 0.045 0.000 0.861 635 D CB 0.556 41.373 40.800 0.027 0.000 0.943 635 D HN -0.123 nan 8.370 nan 0.000 0.515 636 K N 0.203 120.676 120.400 0.123 0.000 2.259 636 K HA 0.331 4.652 4.320 0.001 0.000 0.252 636 K C 0.457 177.132 176.600 0.124 0.000 0.936 636 K CA -0.446 55.807 56.287 -0.056 0.000 0.810 636 K CB 1.664 33.761 32.500 -0.672 0.000 1.143 636 K HN -0.196 nan 8.250 nan 0.000 0.427 637 Q N 0.342 120.205 119.800 0.106 0.000 2.269 637 Q HA 0.106 4.447 4.340 0.001 0.000 0.201 637 Q C -0.129 176.003 176.000 0.219 0.000 0.946 637 Q CA 0.587 56.520 55.803 0.217 0.000 0.877 637 Q CB 0.200 29.090 28.738 0.255 0.000 0.963 637 Q HN 0.342 nan 8.270 nan 0.000 0.472 638 L N -0.216 121.054 121.223 0.079 0.000 2.410 638 L HA 0.538 4.879 4.340 0.001 0.000 0.270 638 L C -2.071 174.784 176.870 -0.026 0.000 0.983 638 L CA -0.530 54.387 54.840 0.128 0.000 0.822 638 L CB 1.180 43.297 42.059 0.096 0.000 1.285 638 L HN -0.003 nan 8.230 nan 0.000 0.409 639 W N 4.415 125.850 121.300 0.224 0.000 2.819 639 W HA 0.778 5.439 4.660 0.002 0.000 0.337 639 W C -1.128 175.583 176.519 0.320 0.000 1.077 639 W CA -0.882 56.584 57.345 0.202 0.000 1.226 639 W CB 2.064 31.573 29.460 0.082 0.000 1.419 639 W HN 0.273 nan 8.180 nan 0.000 0.502 640 V N 2.569 122.766 119.914 0.471 0.000 2.483 640 V HA 0.727 4.848 4.120 0.001 0.000 0.297 640 V C -0.060 176.268 176.094 0.389 0.000 1.027 640 V CA -0.801 61.753 62.300 0.423 0.000 0.855 640 V CB 1.292 33.274 31.823 0.266 0.000 0.995 640 V HN 0.606 nan 8.190 nan 0.000 0.424 641 T N 1.761 116.586 114.554 0.452 0.000 2.907 641 T HA 0.662 5.013 4.350 0.001 0.000 0.290 641 T C -0.278 174.601 174.700 0.297 0.000 1.066 641 T CA -1.041 61.271 62.100 0.353 0.000 1.012 641 T CB 1.715 70.809 68.868 0.377 0.000 1.184 641 T HN 0.491 nan 8.240 nan 0.000 0.522 642 R N 0.571 121.208 120.500 0.229 0.000 2.491 642 R HA 0.202 4.543 4.340 0.001 0.000 0.283 642 R C -0.456 175.973 176.300 0.214 0.000 1.072 642 R CA -0.584 55.637 56.100 0.201 0.000 1.048 642 R CB 0.151 30.544 30.300 0.154 0.000 0.983 642 R HN 0.691 nan 8.270 nan 0.000 0.450 643 Y N 3.737 124.099 120.300 0.105 0.000 2.881 643 Y HA -0.172 4.379 4.550 0.001 0.000 0.335 643 Y C -0.407 175.547 175.900 0.089 0.000 1.263 643 Y CA 0.983 59.128 58.100 0.076 0.000 1.572 643 Y CB 0.047 38.523 38.460 0.027 0.000 1.237 643 Y HN 0.433 nan 8.280 nan 0.000 0.568 644 H N 8.755 127.322 119.070 -0.838 0.000 3.096 644 H HA 0.253 4.810 4.556 0.001 0.000 0.335 644 H C -2.281 172.524 175.328 -0.872 0.000 0.990 644 H CA -2.269 53.322 56.048 -0.761 0.000 1.393 644 H CB 2.298 31.835 29.762 -0.373 0.000 1.742 644 H HN 0.426 nan 8.280 nan 0.000 0.501 645 P HA -0.082 nan 4.420 nan 0.000 0.218 645 P C 1.237 178.484 177.300 -0.089 0.000 1.148 645 P CA 1.577 64.520 63.100 -0.261 0.000 0.822 645 P CB 0.033 31.675 31.700 -0.096 0.000 0.784 646 G N -0.390 108.458 108.800 0.079 0.000 2.813 646 G HA2 -0.076 3.885 3.960 0.001 0.000 0.209 646 G HA3 -0.076 3.885 3.960 0.001 0.000 0.209 646 G C 0.428 175.103 174.900 -0.375 0.000 1.150 646 G CA -0.089 44.931 45.100 -0.135 0.000 0.785 646 G HN 0.321 nan 8.290 nan 0.000 0.535 647 E N 0.682 120.559 120.200 -0.538 0.000 1.963 647 E HA 0.326 4.677 4.350 0.001 0.000 0.274 647 E C 0.459 176.807 176.600 -0.421 0.000 1.061 647 E CA -0.296 55.602 56.400 -0.838 0.000 0.847 647 E CB 0.759 29.636 29.700 -1.371 0.000 1.083 647 E HN 0.268 nan 8.360 nan 0.000 0.402 648 R N 1.573 121.814 120.500 -0.432 0.000 2.453 648 R HA 0.190 4.530 4.340 0.001 0.000 0.233 648 R C -0.312 175.625 176.300 -0.605 0.000 0.895 648 R CA 0.095 55.789 56.100 -0.677 0.000 1.028 648 R CB 0.742 30.303 30.300 -1.232 0.000 1.255 648 R HN 0.232 nan 8.270 nan 0.000 0.571 649 F N 1.950 122.071 119.950 0.284 0.000 2.507 649 F HA 0.369 4.897 4.527 0.002 0.000 0.328 649 F C -1.668 174.133 175.800 0.001 0.000 1.136 649 F CA -2.978 55.088 58.000 0.111 0.000 0.930 649 F CB 1.684 40.656 39.000 -0.047 0.000 1.166 649 F HN -0.263 nan 8.300 nan 0.000 0.436 650 P HA -0.180 nan 4.420 nan 0.000 0.218 650 P C 0.851 177.808 177.300 -0.571 0.000 1.149 650 P CA 1.509 64.278 63.100 -0.550 0.000 0.817 650 P CB 0.233 31.437 31.700 -0.828 0.000 0.785 651 E N 0.603 120.543 120.200 -0.434 0.000 2.489 651 E HA 0.152 4.503 4.350 0.001 0.000 0.193 651 E C 0.795 177.296 176.600 -0.165 0.000 1.057 651 E CA 0.458 56.753 56.400 -0.175 0.000 0.866 651 E CB -0.768 28.888 29.700 -0.073 0.000 0.916 651 E HN 0.163 nan 8.360 nan 0.000 0.500 652 G N 1.940 110.635 108.800 -0.175 0.000 2.733 652 G HA2 -0.303 3.657 3.960 0.001 0.000 0.686 652 G HA3 -0.303 3.657 3.960 0.001 0.000 0.686 652 G C 0.098 174.955 174.900 -0.071 0.000 1.373 652 G CA -0.009 45.018 45.100 -0.121 0.000 0.838 652 G HN 0.188 nan 8.290 nan 0.000 0.588 653 K N -0.579 119.779 120.400 -0.071 0.000 2.148 653 K HA 0.028 4.349 4.320 0.001 0.000 0.204 653 K C 0.196 176.328 176.600 -0.779 0.000 1.050 653 K CA 1.256 57.328 56.287 -0.358 0.000 0.942 653 K CB -0.063 32.250 32.500 -0.311 0.000 0.724 653 K HN 0.499 nan 8.250 nan 0.000 0.446 654 Y N 0.484 120.732 120.300 -0.086 0.000 2.748 654 Y HA 0.253 4.804 4.550 0.002 0.000 0.359 654 Y C -1.995 173.844 175.900 -0.102 0.000 1.030 654 Y CA -2.289 55.754 58.100 -0.096 0.000 1.169 654 Y CB 1.518 39.936 38.460 -0.069 0.000 1.127 654 Y HN 0.108 nan 8.280 nan 0.000 0.644 655 P HA -0.027 nan 4.420 nan 0.000 0.240 655 P C 0.079 177.354 177.300 -0.041 0.000 1.190 655 P CA 0.358 63.426 63.100 -0.053 0.000 0.781 655 P CB 0.495 32.153 31.700 -0.071 0.000 0.931 656 N N 2.018 120.704 118.700 -0.024 0.000 2.427 656 N HA -0.021 4.720 4.740 0.001 0.000 0.269 656 N C 0.389 175.831 175.510 -0.112 0.000 1.235 656 N CA 0.269 53.278 53.050 -0.068 0.000 0.934 656 N CB -0.481 37.965 38.487 -0.067 0.000 1.121 656 N HN -0.080 nan 8.380 nan 0.000 0.480 657 R N 0.288 120.693 120.500 -0.159 0.000 3.951 657 R HA -0.178 4.163 4.340 0.001 0.000 0.352 657 R C -0.293 175.895 176.300 -0.188 0.000 1.178 657 R CA 0.878 56.849 56.100 -0.216 0.000 0.949 657 R CB -2.830 27.165 30.300 -0.508 0.000 1.452 657 R HN 0.746 nan 8.270 nan 0.000 0.540 658 S N -0.194 115.433 115.700 -0.122 0.000 2.558 658 S HA 0.072 4.543 4.470 0.001 0.000 0.287 658 S C 1.488 175.963 174.600 -0.209 0.000 1.321 658 S CA 0.307 58.423 58.200 -0.140 0.000 1.048 658 S CB 1.360 64.483 63.200 -0.128 0.000 0.844 658 S HN 0.355 nan 8.310 nan 0.000 0.512 659 T N -2.583 111.862 114.554 -0.183 0.000 3.001 659 T HA 0.198 4.549 4.350 0.001 0.000 0.251 659 T C 0.477 175.403 174.700 0.376 0.000 1.040 659 T CA 0.330 62.311 62.100 -0.198 0.000 0.985 659 T CB -0.435 68.194 68.868 -0.397 0.000 1.011 659 T HN 0.981 nan 8.240 nan 0.000 0.509 660 H N -1.239 117.865 119.070 0.057 0.000 2.933 660 H HA 0.506 5.063 4.556 0.001 0.000 0.310 660 H C -1.983 173.272 175.328 -0.122 0.000 1.351 660 H CA -1.031 55.019 56.048 0.002 0.000 1.137 660 H CB 0.572 30.367 29.762 0.055 0.000 1.853 660 H HN -0.015 nan 8.280 nan 0.000 0.539 661 D N 1.226 121.445 120.400 -0.301 0.000 2.336 661 D HA 0.086 4.727 4.640 0.001 0.000 0.249 661 D C 0.677 176.739 176.300 -0.397 0.000 1.213 661 D CA 0.116 53.909 54.000 -0.345 0.000 0.870 661 D CB 0.807 41.420 40.800 -0.311 0.000 1.076 661 D HN 0.631 nan 8.370 nan 0.000 0.483 662 T N 0.476 114.771 114.554 -0.432 0.000 3.145 662 T HA 0.377 4.728 4.350 0.001 0.000 0.255 662 T C 0.935 175.355 174.700 -0.467 0.000 1.039 662 T CA -0.211 61.670 62.100 -0.364 0.000 0.928 662 T CB 0.695 69.404 68.868 -0.265 0.000 1.029 662 T HN 0.263 nan 8.240 nan 0.000 0.554 663 G N 1.205 109.610 108.800 -0.659 0.000 3.410 663 G HA2 0.476 4.437 3.960 0.001 0.000 0.189 663 G HA3 0.476 4.437 3.960 0.001 0.000 0.189 663 G C 0.764 174.649 174.900 -1.692 0.000 1.404 663 G CA -0.668 43.758 45.100 -1.123 0.000 0.898 663 G HN 0.280 nan 8.290 nan 0.000 0.650 664 L N 1.068 121.505 121.223 -1.310 0.000 2.127 664 L HA -0.028 4.313 4.340 0.001 0.000 0.211 664 L C 3.063 179.434 176.870 -0.832 0.000 1.089 664 L CA 1.218 55.293 54.840 -1.275 0.000 0.757 664 L CB -0.490 40.505 42.059 -1.772 0.000 0.899 664 L HN 0.561 nan 8.230 nan 0.000 0.434 665 G N -1.052 107.381 108.800 -0.612 0.000 2.459 665 G HA2 -0.344 3.616 3.960 0.001 0.000 0.217 665 G HA3 -0.344 3.616 3.960 0.001 0.000 0.217 665 G C 1.457 176.219 174.900 -0.230 0.000 1.183 665 G CA 0.787 45.724 45.100 -0.272 0.000 0.776 665 G HN 0.395 nan 8.290 nan 0.000 0.552 666 Q N -0.813 118.773 119.800 -0.356 0.000 2.050 666 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 666 Q C 2.365 178.313 176.000 -0.086 0.000 0.980 666 Q CA 1.424 57.097 55.803 -0.217 0.000 0.840 666 Q CB -0.248 28.340 28.738 -0.249 0.000 0.898 666 Q HN 0.573 nan 8.270 nan 0.000 0.424 667 Y N 0.100 120.286 120.300 -0.189 0.000 2.403 667 Y HA -0.089 4.462 4.550 0.001 0.000 0.291 667 Y C 2.390 178.250 175.900 -0.066 0.000 1.143 667 Y CA 1.150 59.154 58.100 -0.161 0.000 1.257 667 Y CB -0.467 37.831 38.460 -0.270 0.000 0.984 667 Y HN 0.267 nan 8.280 nan 0.000 0.550 668 S N -0.540 115.205 115.700 0.076 0.000 2.559 668 S HA 0.058 4.529 4.470 0.001 0.000 0.226 668 S C 1.594 176.258 174.600 0.107 0.000 1.000 668 S CA -0.217 58.061 58.200 0.130 0.000 0.948 668 S CB -0.121 63.212 63.200 0.222 0.000 0.870 668 S HN 0.546 nan 8.310 nan 0.000 0.497 669 K N 1.401 121.843 120.400 0.071 0.000 2.209 669 K HA -0.050 4.271 4.320 0.001 0.000 0.204 669 K C 0.581 177.223 176.600 0.070 0.000 1.048 669 K CA 1.603 57.928 56.287 0.065 0.000 0.940 669 K CB -0.343 32.184 32.500 0.044 0.000 0.729 669 K HN 0.124 nan 8.250 nan 0.000 0.451 670 D N 1.520 121.966 120.400 0.076 0.000 2.349 670 D HA -0.087 4.553 4.640 0.001 0.000 0.224 670 D C -0.259 176.086 176.300 0.075 0.000 1.029 670 D CA 0.269 54.312 54.000 0.072 0.000 0.879 670 D CB -0.447 40.397 40.800 0.073 0.000 0.906 670 D HN 0.422 nan 8.370 nan 0.000 0.528 671 N N 1.502 120.253 118.700 0.085 0.000 2.714 671 N HA -0.202 4.538 4.740 0.001 0.000 0.252 671 N C -0.708 174.852 175.510 0.083 0.000 1.014 671 N CA 0.029 53.130 53.050 0.085 0.000 0.735 671 N CB -0.337 38.193 38.487 0.071 0.000 0.924 671 N HN 0.365 nan 8.380 nan 0.000 0.540 672 E N 0.134 120.390 120.200 0.093 0.000 2.409 672 E HA 0.074 4.425 4.350 0.001 0.000 0.257 672 E C 0.364 177.018 176.600 0.090 0.000 1.150 672 E CA -0.255 56.199 56.400 0.089 0.000 0.942 672 E CB 0.598 30.356 29.700 0.097 0.000 0.979 672 E HN 0.250 nan 8.360 nan 0.000 0.447 673 S N 0.624 116.372 115.700 0.080 0.000 2.562 673 S HA 0.063 4.534 4.470 0.001 0.000 0.281 673 S C 0.336 174.990 174.600 0.090 0.000 1.333 673 S CA -0.345 57.902 58.200 0.077 0.000 1.052 673 S CB 0.130 63.369 63.200 0.065 0.000 0.884 673 S HN 0.436 nan 8.310 nan 0.000 0.506 674 L N 3.279 124.556 121.223 0.090 0.000 3.110 674 L HA 0.333 4.674 4.340 0.001 0.000 0.266 674 L C -0.144 176.776 176.870 0.082 0.000 1.257 674 L CA -0.197 54.702 54.840 0.098 0.000 1.038 674 L CB 0.305 42.431 42.059 0.112 0.000 1.395 674 L HN 0.602 nan 8.230 nan 0.000 0.566 675 D N 0.948 121.390 120.400 0.071 0.000 2.347 675 D HA 0.064 4.705 4.640 0.001 0.000 0.235 675 D C 0.658 176.990 176.300 0.053 0.000 1.149 675 D CA -0.009 54.026 54.000 0.059 0.000 0.850 675 D CB 0.308 41.140 40.800 0.054 0.000 1.061 675 D HN 0.179 nan 8.370 nan 0.000 0.487 676 N N 2.727 121.457 118.700 0.050 0.000 2.705 676 N HA -0.248 4.493 4.740 0.001 0.000 0.255 676 N C -1.285 174.252 175.510 0.045 0.000 1.008 676 N CA 0.742 53.818 53.050 0.043 0.000 0.742 676 N CB -0.431 38.076 38.487 0.033 0.000 0.906 676 N HN 0.460 nan 8.380 nan 0.000 0.541 677 T N -0.576 114.013 114.554 0.058 0.000 2.841 677 T HA 0.150 4.501 4.350 0.001 0.000 0.296 677 T C -1.467 173.278 174.700 0.075 0.000 1.166 677 T CA -0.625 61.513 62.100 0.064 0.000 1.007 677 T CB 1.456 70.369 68.868 0.075 0.000 1.253 677 T HN 0.181 nan 8.240 nan 0.000 0.511 678 D N 1.742 122.191 120.400 0.081 0.000 2.346 678 D HA 0.444 5.084 4.640 0.001 0.000 0.267 678 D C -0.134 176.257 176.300 0.153 0.000 1.320 678 D CA 0.108 54.163 54.000 0.092 0.000 0.951 678 D CB 0.124 40.962 40.800 0.063 0.000 1.079 678 D HN 0.711 nan 8.370 nan 0.000 0.509 679 A N 3.175 126.079 122.820 0.141 0.000 2.303 679 A HA 0.627 4.948 4.320 0.001 0.000 0.317 679 A C -0.582 177.107 177.584 0.176 0.000 1.149 679 A CA -0.632 51.507 52.037 0.169 0.000 0.822 679 A CB 1.361 20.447 19.000 0.144 0.000 1.131 679 A HN 0.349 nan 8.150 nan 0.000 0.493 680 V N 2.281 122.321 119.914 0.209 0.000 2.487 680 V HA 0.387 4.508 4.120 0.001 0.000 0.298 680 V C -0.355 175.821 176.094 0.138 0.000 1.028 680 V CA -0.539 61.831 62.300 0.117 0.000 0.860 680 V CB 1.625 33.507 31.823 0.098 0.000 0.991 680 V HN 0.665 nan 8.190 nan 0.000 0.427 681 V N 3.860 123.789 119.914 0.025 0.000 2.481 681 V HA 0.458 4.579 4.120 0.001 0.000 0.286 681 V C -1.000 175.108 176.094 0.022 0.000 1.042 681 V CA -0.482 61.901 62.300 0.138 0.000 0.928 681 V CB 1.555 33.441 31.823 0.106 0.000 0.986 681 V HN 0.902 nan 8.190 nan 0.000 0.462 682 W N 4.813 126.249 121.300 0.227 0.000 2.411 682 W HA 0.697 5.358 4.660 0.001 0.000 0.317 682 W C -0.203 176.500 176.519 0.308 0.000 1.030 682 W CA -0.698 56.791 57.345 0.239 0.000 1.239 682 W CB 1.103 30.680 29.460 0.194 0.000 1.304 682 W HN 0.282 nan 8.180 nan 0.000 0.437 683 M N 3.306 123.175 119.600 0.447 0.000 2.129 683 M HA 0.379 4.860 4.480 0.001 0.000 0.348 683 M C -0.157 176.421 176.300 0.464 0.000 1.116 683 M CA -0.163 55.375 55.300 0.397 0.000 1.022 683 M CB 1.438 34.204 32.600 0.278 0.000 1.599 683 M HN 0.233 nan 8.290 nan 0.000 0.449 684 T N 1.828 116.656 114.554 0.457 0.000 2.771 684 T HA 0.515 4.866 4.350 0.001 0.000 0.281 684 T C -0.329 174.600 174.700 0.382 0.000 0.982 684 T CA -0.327 62.043 62.100 0.451 0.000 0.978 684 T CB 1.359 70.531 68.868 0.507 0.000 0.930 684 T HN 0.700 nan 8.240 nan 0.000 0.447 685 T N 1.657 116.457 114.554 0.409 0.000 2.923 685 T HA 0.762 5.113 4.350 0.001 0.000 0.311 685 T C -0.557 174.394 174.700 0.419 0.000 1.183 685 T CA -0.102 62.235 62.100 0.395 0.000 1.020 685 T CB 1.367 70.491 68.868 0.427 0.000 1.165 685 T HN 0.912 nan 8.240 nan 0.000 0.482 686 G N 1.388 110.382 108.800 0.324 0.000 2.490 686 G HA2 0.642 4.603 3.960 0.001 0.000 0.308 686 G HA3 0.642 4.603 3.960 0.001 0.000 0.308 686 G C -0.858 174.172 174.900 0.216 0.000 1.286 686 G CA 0.022 45.301 45.100 0.299 0.000 0.825 686 G HN 1.109 nan 8.290 nan 0.000 0.479 687 T N -2.559 112.118 114.554 0.205 0.000 2.907 687 T HA 0.686 5.037 4.350 0.001 0.000 0.292 687 T C -0.614 174.127 174.700 0.069 0.000 1.043 687 T CA -0.552 61.647 62.100 0.165 0.000 1.003 687 T CB 1.900 70.926 68.868 0.264 0.000 1.084 687 T HN 0.518 nan 8.240 nan 0.000 0.483 688 T N 2.185 116.737 114.554 -0.004 0.000 2.733 688 T HA 0.281 4.632 4.350 0.001 0.000 0.294 688 T C -0.468 174.136 174.700 -0.159 0.000 0.956 688 T CA -0.341 61.704 62.100 -0.092 0.000 0.987 688 T CB -0.166 68.647 68.868 -0.091 0.000 0.920 688 T HN 0.767 nan 8.240 nan 0.000 0.470 689 H N 3.365 122.171 119.070 -0.439 0.000 2.690 689 H HA 0.507 5.064 4.556 0.001 0.000 0.289 689 H C -0.926 174.104 175.328 -0.497 0.000 1.089 689 H CA -0.737 54.938 56.048 -0.623 0.000 1.299 689 H CB 0.443 29.783 29.762 -0.703 0.000 1.405 689 H HN 0.296 nan 8.280 nan 0.000 0.463 690 V N 5.042 124.885 119.914 -0.118 0.000 2.370 690 V HA 0.375 4.496 4.120 0.001 0.000 0.283 690 V C 0.449 176.513 176.094 -0.050 0.000 1.023 690 V CA -0.625 61.591 62.300 -0.140 0.000 0.857 690 V CB 0.912 32.676 31.823 -0.098 0.000 0.985 690 V HN 0.909 nan 8.190 nan 0.000 0.443 691 A N 6.546 129.273 122.820 -0.154 0.000 2.313 691 A HA 0.852 5.172 4.320 0.001 0.000 0.261 691 A C 0.285 177.886 177.584 0.028 0.000 1.090 691 A CA -0.345 51.668 52.037 -0.040 0.000 0.807 691 A CB 0.531 19.459 19.000 -0.119 0.000 1.055 691 A HN 0.985 nan 8.150 nan 0.000 0.492 692 R N -0.887 119.668 120.500 0.091 0.000 2.764 692 R HA 0.677 5.018 4.340 0.001 0.000 0.270 692 R C 0.389 176.743 176.300 0.090 0.000 1.014 692 R CA -0.183 55.956 56.100 0.066 0.000 0.904 692 R CB 1.293 31.639 30.300 0.076 0.000 1.236 692 R HN 0.667 nan 8.270 nan 0.000 0.466 693 A N 0.896 123.757 122.820 0.068 0.000 2.019 693 A HA -0.145 4.176 4.320 0.001 0.000 0.219 693 A C 1.410 179.076 177.584 0.136 0.000 1.164 693 A CA 1.648 53.743 52.037 0.097 0.000 0.644 693 A CB -0.597 18.438 19.000 0.057 0.000 0.805 693 A HN 0.837 nan 8.150 nan 0.000 0.449 694 E N 0.320 120.584 120.200 0.106 0.000 2.396 694 E HA -0.147 4.203 4.350 0.001 0.000 0.200 694 E C 1.202 177.870 176.600 0.114 0.000 1.023 694 E CA 1.256 57.713 56.400 0.095 0.000 0.857 694 E CB -0.158 29.587 29.700 0.076 0.000 0.775 694 E HN 0.792 nan 8.360 nan 0.000 0.525 695 E N -1.065 119.237 120.200 0.169 0.000 2.465 695 E HA 0.055 4.406 4.350 0.001 0.000 0.195 695 E C -0.420 176.337 176.600 0.261 0.000 1.028 695 E CA -0.286 56.227 56.400 0.188 0.000 0.899 695 E CB 0.460 30.309 29.700 0.248 0.000 1.032 695 E HN 0.190 nan 8.360 nan 0.000 0.468 696 W N 1.828 123.135 121.300 0.011 0.000 2.883 696 W HA 0.255 4.915 4.660 0.001 0.000 0.335 696 W C -2.348 174.178 176.519 0.012 0.000 1.083 696 W CA -2.148 55.199 57.345 0.003 0.000 1.233 696 W CB 1.707 31.168 29.460 0.002 0.000 1.412 696 W HN -0.114 nan 8.180 nan 0.000 0.490 697 P HA 0.091 nan 4.420 nan 0.000 0.236 697 P C 0.057 176.966 177.300 -0.651 0.000 1.177 697 P CA 0.849 63.172 63.100 -1.296 0.000 0.773 697 P CB 1.419 32.592 31.700 -0.878 0.000 0.878 698 I N -0.185 120.202 120.570 -0.306 0.000 2.582 698 I HA 0.363 4.534 4.170 0.001 0.000 0.292 698 I C -0.594 175.449 176.117 -0.124 0.000 1.066 698 I CA -1.815 59.334 61.300 -0.253 0.000 1.053 698 I CB 2.576 40.434 38.000 -0.236 0.000 1.241 698 I HN -0.276 nan 8.210 nan 0.000 0.421 699 M N 9.889 129.415 119.600 -0.123 0.000 2.105 699 M HA 0.518 4.999 4.480 0.001 0.000 0.350 699 M C -2.462 173.773 176.300 -0.108 0.000 1.308 699 M CA -1.180 54.086 55.300 -0.056 0.000 1.108 699 M CB 0.807 33.397 32.600 -0.015 0.000 1.622 699 M HN 0.214 nan 8.290 nan 0.000 0.468 700 P HA 0.071 nan 4.420 nan 0.000 0.268 700 P C -0.842 176.362 177.300 -0.160 0.000 1.205 700 P CA 0.024 63.069 63.100 -0.092 0.000 0.771 700 P CB 0.373 32.045 31.700 -0.046 0.000 0.858 701 T N 3.854 118.299 114.554 -0.182 0.000 2.822 701 T HA 0.020 4.371 4.350 0.001 0.000 0.288 701 T C 0.289 174.783 174.700 -0.343 0.000 0.991 701 T CA 0.223 62.129 62.100 -0.323 0.000 1.176 701 T CB -0.237 68.467 68.868 -0.272 0.000 0.951 701 T HN 0.331 nan 8.240 nan 0.000 0.526 702 E N 2.331 122.219 120.200 -0.519 0.000 2.204 702 E HA 0.344 4.694 4.350 0.001 0.000 0.276 702 E C -0.797 175.438 176.600 -0.607 0.000 0.974 702 E CA -0.492 55.605 56.400 -0.504 0.000 0.815 702 E CB 1.617 30.855 29.700 -0.771 0.000 1.119 702 E HN 0.621 nan 8.360 nan 0.000 0.393 703 W N 1.187 122.323 121.300 -0.273 0.000 2.736 703 W HA 0.418 5.079 4.660 0.002 0.000 0.335 703 W C -0.340 175.955 176.519 -0.373 0.000 1.059 703 W CA -0.765 56.372 57.345 -0.346 0.000 1.226 703 W CB 1.616 30.864 29.460 -0.353 0.000 1.416 703 W HN 0.220 nan 8.180 nan 0.000 0.505 704 V N -0.345 119.463 119.914 -0.177 0.000 2.815 704 V HA 0.622 4.743 4.120 0.001 0.000 0.314 704 V C -0.657 175.211 176.094 -0.375 0.000 1.064 704 V CA -0.900 61.309 62.300 -0.151 0.000 0.952 704 V CB 1.827 33.718 31.823 0.113 0.000 1.020 704 V HN 0.587 nan 8.190 nan 0.000 0.439 705 H N 1.811 120.903 119.070 0.037 0.000 2.637 705 H HA 0.774 5.331 4.556 0.001 0.000 0.363 705 H C -0.336 174.935 175.328 -0.095 0.000 1.131 705 H CA 0.060 56.068 56.048 -0.068 0.000 1.183 705 H CB 2.356 32.053 29.762 -0.108 0.000 1.637 705 H HN 1.063 nan 8.280 nan 0.000 0.531 706 T N 0.213 114.736 114.554 -0.051 0.000 2.901 706 T HA 0.621 4.972 4.350 0.001 0.000 0.293 706 T C -1.112 173.499 174.700 -0.148 0.000 1.084 706 T CA -0.822 61.215 62.100 -0.105 0.000 1.008 706 T CB 1.929 70.702 68.868 -0.157 0.000 1.170 706 T HN 0.195 nan 8.240 nan 0.000 0.509 707 L N 0.952 122.094 121.223 -0.134 0.000 2.445 707 L HA 0.677 5.018 4.340 0.001 0.000 0.262 707 L C -1.476 175.342 176.870 -0.086 0.000 0.974 707 L CA -0.933 53.832 54.840 -0.124 0.000 0.822 707 L CB 2.179 44.179 42.059 -0.097 0.000 1.339 707 L HN 0.798 nan 8.230 nan 0.000 0.409 708 L N 3.783 124.977 121.223 -0.049 0.000 2.343 708 L HA 0.564 4.905 4.340 0.001 0.000 0.278 708 L C -0.597 176.377 176.870 0.173 0.000 0.996 708 L CA -0.618 54.280 54.840 0.098 0.000 0.831 708 L CB 1.473 43.596 42.059 0.106 0.000 1.232 708 L HN 0.482 nan 8.230 nan 0.000 0.413 709 K N 4.573 125.032 120.400 0.097 0.000 2.345 709 K HA 0.478 4.799 4.320 0.001 0.000 0.255 709 K C -2.599 173.741 176.600 -0.433 0.000 0.934 709 K CA -1.839 54.394 56.287 -0.090 0.000 0.801 709 K CB 2.278 34.767 32.500 -0.018 0.000 1.137 709 K HN 0.222 nan 8.250 nan 0.000 0.424 710 P HA -0.076 nan 4.420 nan 0.000 0.268 710 P C -0.965 176.178 177.300 -0.261 0.000 1.204 710 P CA -0.019 62.469 63.100 -1.020 0.000 0.768 710 P CB 0.536 31.859 31.700 -0.628 0.000 0.842 711 W N 5.562 126.670 121.300 -0.319 0.000 2.453 711 W HA 0.157 4.818 4.660 0.001 0.000 0.310 711 W C -0.367 176.126 176.519 -0.043 0.000 1.000 711 W CA -0.349 56.922 57.345 -0.122 0.000 1.367 711 W CB 0.150 29.558 29.460 -0.086 0.000 1.269 711 W HN 0.526 nan 8.180 nan 0.000 0.418 712 N N 3.575 122.209 118.700 -0.109 0.000 2.714 712 N HA -0.328 4.413 4.740 0.001 0.000 0.250 712 N C 0.348 175.870 175.510 0.019 0.000 1.117 712 N CA 1.569 54.596 53.050 -0.039 0.000 0.719 712 N CB -1.954 36.545 38.487 0.021 0.000 1.081 712 N HN 0.559 nan 8.380 nan 0.000 0.557 713 F N -0.362 119.461 119.950 -0.211 0.000 2.367 713 F HA 0.190 4.718 4.527 0.001 0.000 0.298 713 F C 0.742 176.197 175.800 -0.576 0.000 1.094 713 F CA 0.663 58.421 58.000 -0.403 0.000 1.409 713 F CB 0.228 38.877 39.000 -0.584 0.000 1.064 713 F HN -0.033 nan 8.300 nan 0.000 0.528 714 F N -0.154 119.836 119.950 0.067 0.000 2.585 714 F HA 0.287 4.815 4.527 0.001 0.000 0.350 714 F C 1.183 176.946 175.800 -0.062 0.000 1.074 714 F CA -0.874 57.115 58.000 -0.019 0.000 1.032 714 F CB 0.222 39.210 39.000 -0.019 0.000 1.330 714 F HN -0.359 nan 8.300 nan 0.000 0.495 715 D N -0.707 119.784 120.400 0.152 0.000 2.389 715 D HA 0.095 4.736 4.640 0.001 0.000 0.206 715 D C -0.079 176.229 176.300 0.013 0.000 1.055 715 D CA 0.569 54.593 54.000 0.041 0.000 0.856 715 D CB 0.531 41.346 40.800 0.026 0.000 0.957 715 D HN 0.708 nan 8.370 nan 0.000 0.509 716 E N -1.637 118.580 120.200 0.028 0.000 2.435 716 E HA 0.205 4.556 4.350 0.001 0.000 0.277 716 E C -1.170 175.397 176.600 -0.055 0.000 1.106 716 E CA -0.802 55.579 56.400 -0.033 0.000 0.868 716 E CB 0.315 29.989 29.700 -0.043 0.000 1.454 716 E HN -0.300 nan 8.360 nan 0.000 0.452 717 T N 2.836 117.333 114.554 -0.095 0.000 2.656 717 T HA 0.013 4.364 4.350 0.001 0.000 0.263 717 T C -1.814 172.814 174.700 -0.121 0.000 1.017 717 T CA -0.258 61.777 62.100 -0.108 0.000 1.216 717 T CB -0.021 68.753 68.868 -0.156 0.000 0.989 717 T HN 0.323 nan 8.240 nan 0.000 0.507 718 P HA -0.023 nan 4.420 nan 0.000 0.223 718 P C 1.446 178.642 177.300 -0.173 0.000 1.151 718 P CA 0.690 63.567 63.100 -0.371 0.000 0.787 718 P CB 0.006 31.264 31.700 -0.737 0.000 0.788 719 T N -3.986 110.547 114.554 -0.034 0.000 3.086 719 T HA 0.174 4.525 4.350 0.001 0.000 0.250 719 T C 1.605 176.374 174.700 0.115 0.000 1.074 719 T CA -0.132 61.998 62.100 0.050 0.000 0.988 719 T CB -0.887 68.049 68.868 0.113 0.000 0.988 719 T HN 0.003 nan 8.240 nan 0.000 0.530 720 L N 1.295 122.569 121.223 0.086 0.000 2.197 720 L HA 0.075 4.416 4.340 0.001 0.000 0.215 720 L C 1.572 178.473 176.870 0.051 0.000 1.095 720 L CA 1.338 56.225 54.840 0.078 0.000 0.764 720 L CB -1.076 40.975 42.059 -0.012 0.000 0.897 720 L HN 0.749 nan 8.230 nan 0.000 0.436 721 G N -1.724 107.085 108.800 0.014 0.000 2.619 721 G HA2 0.043 4.004 3.960 0.001 0.000 0.686 721 G HA3 0.043 4.004 3.960 0.001 0.000 0.686 721 G C -0.412 174.482 174.900 -0.009 0.000 1.256 721 G CA -0.674 44.425 45.100 -0.000 0.000 0.826 721 G HN 0.387 nan 8.290 nan 0.000 0.619 722 A N 0.224 123.035 122.820 -0.014 0.000 2.524 722 A HA 0.538 4.859 4.320 0.001 0.000 0.250 722 A C 0.684 178.263 177.584 -0.009 0.000 1.078 722 A CA 0.288 52.317 52.037 -0.013 0.000 0.761 722 A CB 0.613 19.603 19.000 -0.016 0.000 1.012 722 A HN 2.026 nan 8.150 nan 0.000 0.500 723 L N 3.054 124.272 121.223 -0.009 0.000 2.500 723 L HA 0.133 4.474 4.340 0.001 0.000 0.272 723 L C 1.254 178.119 176.870 -0.008 0.000 1.149 723 L CA 0.780 55.615 54.840 -0.009 0.000 0.897 723 L CB 0.266 42.319 42.059 -0.009 0.000 1.178 723 L HN 0.836 nan 8.230 nan 0.000 0.473 724 K N 3.106 123.501 120.400 -0.008 0.000 2.186 724 K HA 0.049 4.370 4.320 0.001 0.000 0.202 724 K C 0.441 177.037 176.600 -0.008 0.000 1.052 724 K CA 0.642 56.925 56.287 -0.007 0.000 0.965 724 K CB 0.169 32.665 32.500 -0.006 0.000 0.746 724 K HN 0.457 nan 8.250 nan 0.000 0.457 725 K N 2.110 122.505 120.400 -0.008 0.000 3.233 725 K HA 0.035 4.356 4.320 0.001 0.000 0.283 725 K C -0.301 176.294 176.600 -0.009 0.000 1.209 725 K CA 0.454 56.736 56.287 -0.009 0.000 1.197 725 K CB -0.614 31.880 32.500 -0.010 0.000 1.431 725 K HN 0.355 nan 8.250 nan 0.000 0.326 726 D N 0.000 120.395 120.400 -0.008 0.000 6.856 726 D HA 0.000 4.641 4.640 0.001 0.000 0.175 726 D CA 0.000 nan 54.000 nan 0.000 0.868 726 D CB 0.000 nan 40.800 nan 0.000 0.688 726 D HN 0.000 nan 8.370 nan 0.000 0.683