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 1spu_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 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 0.000 175.350 175.328 0.037 0.000 0.993 6 H CA 0.000 56.058 56.048 0.016 0.000 1.023 6 H CB 0.000 29.774 29.762 0.020 0.000 1.292 7 M N 1.200 120.881 119.600 0.134 0.000 2.530 7 M HA 0.565 5.045 4.480 0.001 0.000 0.307 7 M C -0.397 176.070 176.300 0.279 0.000 1.161 7 M CA -1.073 54.330 55.300 0.172 0.000 0.903 7 M CB 3.298 35.970 32.600 0.120 0.000 1.711 7 M HN -0.112 nan 8.290 nan 0.000 0.451 8 V N 1.820 121.925 119.914 0.319 0.000 2.823 8 V HA 0.545 4.665 4.120 0.001 0.000 0.312 8 V C -2.466 173.641 176.094 0.022 0.000 1.072 8 V CA -1.815 60.630 62.300 0.243 0.000 0.937 8 V CB 1.932 33.801 31.823 0.077 0.000 1.013 8 V HN 0.644 nan 8.190 nan 0.000 0.430 9 P HA 0.152 nan 4.420 nan 0.000 0.276 9 P C 0.681 177.662 177.300 -0.533 0.000 1.264 9 P CA -0.038 62.448 63.100 -1.022 0.000 0.769 9 P CB 0.969 32.036 31.700 -1.054 0.000 0.840 10 M N 3.271 122.531 119.600 -0.566 0.000 2.073 10 M HA -0.261 4.220 4.480 0.001 0.000 0.258 10 M C 1.286 177.381 176.300 -0.343 0.000 1.070 10 M CA 2.280 57.299 55.300 -0.467 0.000 1.103 10 M CB -0.664 31.552 32.600 -0.640 0.000 1.321 10 M HN 0.192 nan 8.290 nan 0.000 0.405 11 D N 0.104 120.301 120.400 -0.338 0.000 2.133 11 D HA -0.219 4.421 4.640 0.001 0.000 0.195 11 D C 1.981 178.200 176.300 -0.136 0.000 0.997 11 D CA 1.679 55.562 54.000 -0.195 0.000 0.840 11 D CB -0.031 40.672 40.800 -0.161 0.000 0.947 11 D HN 0.363 nan 8.370 nan 0.000 0.452 12 K N -0.719 119.582 120.400 -0.165 0.000 2.001 12 K HA -0.109 4.212 4.320 0.001 0.000 0.208 12 K C 1.971 178.532 176.600 -0.064 0.000 1.048 12 K CA 1.573 57.797 56.287 -0.105 0.000 0.932 12 K CB -0.143 32.284 32.500 -0.122 0.000 0.715 12 K HN 0.081 nan 8.250 nan 0.000 0.437 13 T N 2.031 116.537 114.554 -0.080 0.000 2.699 13 T HA -0.163 4.187 4.350 0.001 0.000 0.268 13 T C 1.808 176.528 174.700 0.033 0.000 1.036 13 T CA 1.363 63.444 62.100 -0.033 0.000 1.147 13 T CB -0.129 68.698 68.868 -0.068 0.000 0.862 13 T HN 0.157 nan 8.240 nan 0.000 0.446 14 L N -0.176 121.058 121.223 0.018 0.000 2.072 14 L HA -0.025 4.315 4.340 0.001 0.000 0.205 14 L C 2.682 179.616 176.870 0.107 0.000 1.079 14 L CA 0.990 55.897 54.840 0.112 0.000 0.752 14 L CB -0.283 41.817 42.059 0.069 0.000 0.906 14 L HN 0.058 nan 8.230 nan 0.000 0.436 15 K N 0.370 120.791 120.400 0.035 0.000 2.032 15 K HA -0.232 4.088 4.320 0.001 0.000 0.209 15 K C 1.937 178.541 176.600 0.007 0.000 1.048 15 K CA 1.428 57.721 56.287 0.011 0.000 0.927 15 K CB -0.302 32.194 32.500 -0.007 0.000 0.712 15 K HN 0.242 nan 8.250 nan 0.000 0.441 16 E N -1.000 119.215 120.200 0.025 0.000 2.204 16 E HA -0.171 4.179 4.350 0.001 0.000 0.195 16 E C 1.618 178.254 176.600 0.060 0.000 0.990 16 E CA 0.754 57.171 56.400 0.029 0.000 0.821 16 E CB -0.136 29.581 29.700 0.029 0.000 0.750 16 E HN 0.291 nan 8.360 nan 0.000 0.477 17 F N -0.083 119.819 119.950 -0.080 0.000 2.456 17 F HA 0.190 4.717 4.527 0.001 0.000 0.298 17 F C 1.358 177.072 175.800 -0.143 0.000 1.104 17 F CA 1.513 59.441 58.000 -0.119 0.000 1.435 17 F CB 0.391 39.295 39.000 -0.160 0.000 1.078 17 F HN 0.106 nan 8.300 nan 0.000 0.546 18 G N 0.534 109.189 108.800 -0.242 0.000 2.131 18 G HA2 -0.032 3.928 3.960 0.001 0.000 0.223 18 G HA3 -0.032 3.928 3.960 0.001 0.000 0.223 18 G C 0.163 174.894 174.900 -0.281 0.000 0.990 18 G CA -0.030 44.899 45.100 -0.285 0.000 0.671 18 G HN 0.847 nan 8.290 nan 0.000 0.521 19 A N -0.105 122.605 122.820 -0.184 0.000 2.310 19 A HA 0.654 4.975 4.320 0.001 0.000 0.299 19 A C 0.016 177.619 177.584 0.033 0.000 1.147 19 A CA 0.300 52.304 52.037 -0.056 0.000 0.818 19 A CB 0.742 19.792 19.000 0.084 0.000 1.096 19 A HN 0.528 nan 8.150 nan 0.000 0.495 20 D N 1.383 121.817 120.400 0.057 0.000 2.312 20 D HA 0.410 5.050 4.640 0.001 0.000 0.252 20 D C -0.795 175.574 176.300 0.115 0.000 1.150 20 D CA 0.248 54.290 54.000 0.071 0.000 0.870 20 D CB 0.902 41.740 40.800 0.063 0.000 1.153 20 D HN 0.156 nan 8.370 nan 0.000 0.457 21 V N 5.188 125.175 119.914 0.121 0.000 2.378 21 V HA 0.323 4.444 4.120 0.001 0.000 0.288 21 V C -0.413 175.815 176.094 0.224 0.000 1.016 21 V CA -0.737 61.671 62.300 0.180 0.000 0.840 21 V CB 1.339 33.246 31.823 0.140 0.000 0.994 21 V HN 0.544 nan 8.190 nan 0.000 0.431 22 Q N 4.268 124.231 119.800 0.272 0.000 2.331 22 Q HA 0.337 4.677 4.340 0.001 0.000 0.267 22 Q C -1.007 175.183 176.000 0.316 0.000 1.006 22 Q CA -0.270 55.673 55.803 0.233 0.000 0.818 22 Q CB 3.098 31.911 28.738 0.126 0.000 1.276 22 Q HN 0.892 nan 8.270 nan 0.000 0.450 23 W N 3.989 125.283 121.300 -0.010 0.000 2.478 23 W HA 0.334 4.995 4.660 0.001 0.000 0.318 23 W C -1.244 175.158 176.519 -0.195 0.000 1.062 23 W CA -0.501 56.657 57.345 -0.312 0.000 1.210 23 W CB 1.553 30.768 29.460 -0.409 0.000 1.325 23 W HN 0.501 nan 8.180 nan 0.000 0.496 24 D N 4.459 124.202 120.400 -1.095 0.000 2.461 24 D HA 0.052 4.693 4.640 0.001 0.000 0.240 24 D C 0.585 176.062 176.300 -1.372 0.000 1.094 24 D CA -0.089 53.380 54.000 -0.885 0.000 0.868 24 D CB 1.196 41.715 40.800 -0.468 0.000 1.062 24 D HN 0.452 nan 8.370 nan 0.000 0.530 25 D N 2.462 122.293 120.400 -0.948 0.000 2.104 25 D HA -0.254 4.387 4.640 0.001 0.000 0.194 25 D C 1.516 177.655 176.300 -0.268 0.000 0.994 25 D CA 1.244 54.965 54.000 -0.465 0.000 0.830 25 D CB -0.041 40.722 40.800 -0.061 0.000 0.959 25 D HN 0.511 nan 8.370 nan 0.000 0.452 26 Y N 0.882 121.006 120.300 -0.294 0.000 2.049 26 Y HA -0.168 4.383 4.550 0.001 0.000 0.277 26 Y C 2.134 177.910 175.900 -0.208 0.000 1.143 26 Y CA 2.358 60.344 58.100 -0.191 0.000 1.115 26 Y CB -0.789 37.582 38.460 -0.148 0.000 0.975 26 Y HN 0.011 nan 8.280 nan 0.000 0.487 27 A N -0.738 121.882 122.820 -0.333 0.000 2.167 27 A HA -0.034 4.286 4.320 0.001 0.000 0.214 27 A C 0.770 178.127 177.584 -0.379 0.000 1.151 27 A CA 0.884 52.709 52.037 -0.354 0.000 0.735 27 A CB -0.296 18.596 19.000 -0.181 0.000 0.802 27 A HN 0.611 nan 8.150 nan 0.000 0.467 28 Q N -2.241 117.228 119.800 -0.553 0.000 2.463 28 Q HA -0.201 4.139 4.340 0.001 0.000 0.299 28 Q C -0.707 175.015 176.000 -0.463 0.000 1.353 28 Q CA 1.066 56.553 55.803 -0.527 0.000 0.828 28 Q CB -2.074 26.602 28.738 -0.103 0.000 1.157 28 Q HN 0.637 nan 8.270 nan 0.000 0.436 29 L N -0.741 120.003 121.223 -0.798 0.000 2.388 29 L HA 0.732 5.072 4.340 0.001 0.000 0.264 29 L C -1.127 175.567 176.870 -0.293 0.000 0.998 29 L CA -0.641 54.015 54.840 -0.307 0.000 0.817 29 L CB 1.441 43.400 42.059 -0.166 0.000 1.338 29 L HN -0.015 nan 8.230 nan 0.000 0.414 30 F N 1.605 121.670 119.950 0.192 0.000 2.436 30 F HA 0.613 5.140 4.527 0.001 0.000 0.340 30 F C 0.173 176.031 175.800 0.097 0.000 1.113 30 F CA -0.272 57.879 58.000 0.252 0.000 1.022 30 F CB 2.184 41.352 39.000 0.280 0.000 1.128 30 F HN 0.350 nan 8.300 nan 0.000 0.466 31 T N 5.456 120.169 114.554 0.265 0.000 2.779 31 T HA 0.658 5.009 4.350 0.001 0.000 0.280 31 T C -0.548 174.200 174.700 0.080 0.000 0.987 31 T CA -0.590 61.543 62.100 0.055 0.000 0.966 31 T CB 0.701 69.529 68.868 -0.066 0.000 0.933 31 T HN 0.290 nan 8.240 nan 0.000 0.442 32 L N 4.105 125.339 121.223 0.018 0.000 2.362 32 L HA 0.677 5.017 4.340 0.001 0.000 0.275 32 L C -0.721 176.193 176.870 0.074 0.000 0.998 32 L CA -0.978 53.949 54.840 0.146 0.000 0.820 32 L CB 1.732 43.985 42.059 0.323 0.000 1.270 32 L HN 0.510 nan 8.230 nan 0.000 0.415 33 I N 3.187 123.836 120.570 0.132 0.000 2.465 33 I HA 0.458 4.628 4.170 0.001 0.000 0.291 33 I C -0.524 175.714 176.117 0.202 0.000 1.014 33 I CA -0.471 60.919 61.300 0.149 0.000 1.093 33 I CB 2.216 40.279 38.000 0.106 0.000 1.267 33 I HN 0.529 nan 8.210 nan 0.000 0.431 34 K N 6.016 126.572 120.400 0.260 0.000 2.690 34 K HA 0.274 4.595 4.320 0.001 0.000 0.264 34 K C -0.910 175.800 176.600 0.183 0.000 1.040 34 K CA -0.341 56.019 56.287 0.120 0.000 0.946 34 K CB 0.732 33.157 32.500 -0.125 0.000 1.268 34 K HN 0.696 nan 8.250 nan 0.000 0.473 35 D N 1.942 122.429 120.400 0.145 0.000 3.685 35 D HA -0.256 4.384 4.640 0.001 0.000 0.152 35 D C 0.999 177.440 176.300 0.234 0.000 0.966 35 D CA 1.968 56.091 54.000 0.206 0.000 1.085 35 D CB -1.014 39.936 40.800 0.251 0.000 0.521 35 D HN 0.689 nan 8.370 nan 0.000 0.543 36 G N 0.544 109.498 108.800 0.256 0.000 2.679 36 G HA2 0.279 4.239 3.960 0.001 0.000 0.212 36 G HA3 0.279 4.239 3.960 0.001 0.000 0.212 36 G C 0.460 175.480 174.900 0.199 0.000 1.137 36 G CA 1.153 46.359 45.100 0.176 0.000 0.787 36 G HN 0.668 nan 8.290 nan 0.000 0.534 37 A N -0.025 122.958 122.820 0.272 0.000 2.276 37 A HA 0.605 4.925 4.320 0.001 0.000 0.300 37 A C -1.472 176.296 177.584 0.306 0.000 1.235 37 A CA -0.631 51.575 52.037 0.282 0.000 0.867 37 A CB 0.433 19.667 19.000 0.390 0.000 1.137 37 A HN 0.273 nan 8.150 nan 0.000 0.527 38 Y N 3.312 123.681 120.300 0.115 0.000 2.345 38 Y HA 0.528 5.079 4.550 0.001 0.000 0.331 38 Y C -0.808 175.133 175.900 0.068 0.000 0.959 38 Y CA -0.527 57.638 58.100 0.107 0.000 1.204 38 Y CB 1.386 39.895 38.460 0.082 0.000 1.135 38 Y HN 0.455 nan 8.280 nan 0.000 0.477 39 V N 6.145 125.978 119.914 -0.135 0.000 2.628 39 V HA 0.521 4.642 4.120 0.001 0.000 0.306 39 V C -0.823 175.226 176.094 -0.075 0.000 1.045 39 V CA -1.166 61.083 62.300 -0.086 0.000 0.905 39 V CB 1.971 33.701 31.823 -0.155 0.000 0.997 39 V HN 0.612 nan 8.190 nan 0.000 0.436 40 K N 2.403 122.817 120.400 0.023 0.000 2.426 40 K HA 0.809 5.129 4.320 0.001 0.000 0.254 40 K C -1.669 175.005 176.600 0.123 0.000 0.936 40 K CA -0.550 55.785 56.287 0.080 0.000 0.801 40 K CB 2.417 34.976 32.500 0.098 0.000 1.139 40 K HN 0.432 nan 8.250 nan 0.000 0.424 41 V N 3.288 123.324 119.914 0.204 0.000 2.777 41 V HA 0.364 4.485 4.120 0.001 0.000 0.306 41 V C -1.701 174.591 176.094 0.331 0.000 1.112 41 V CA -0.762 61.684 62.300 0.244 0.000 0.917 41 V CB 2.008 33.995 31.823 0.273 0.000 1.018 41 V HN 0.647 nan 8.190 nan 0.000 0.426 42 K N 6.955 127.505 120.400 0.251 0.000 2.235 42 K HA 0.552 4.872 4.320 0.001 0.000 0.266 42 K C -2.692 174.065 176.600 0.261 0.000 0.980 42 K CA -1.812 54.626 56.287 0.251 0.000 0.849 42 K CB 1.873 34.457 32.500 0.140 0.000 1.098 42 K HN 0.420 nan 8.250 nan 0.000 0.445 43 P HA -0.084 nan 4.420 nan 0.000 0.264 43 P C 0.726 178.120 177.300 0.158 0.000 1.183 43 P CA 0.881 64.127 63.100 0.243 0.000 0.763 43 P CB 0.594 32.446 31.700 0.253 0.000 0.807 44 G N 1.771 110.642 108.800 0.118 0.000 2.304 44 G HA2 -0.259 3.701 3.960 0.001 0.000 0.252 44 G HA3 -0.259 3.701 3.960 0.001 0.000 0.252 44 G C 0.486 175.435 174.900 0.081 0.000 1.014 44 G CA 0.094 45.247 45.100 0.087 0.000 0.619 44 G HN 0.878 nan 8.290 nan 0.000 0.525 45 A N 0.518 123.396 122.820 0.096 0.000 2.477 45 A HA 0.575 4.895 4.320 0.001 0.000 0.246 45 A C 1.187 178.818 177.584 0.078 0.000 1.078 45 A CA 1.123 53.209 52.037 0.082 0.000 0.770 45 A CB 0.204 19.258 19.000 0.090 0.000 1.011 45 A HN 1.130 nan 8.150 nan 0.000 0.494 46 Q N 0.789 120.624 119.800 0.058 0.000 2.280 46 Q HA 0.234 4.574 4.340 0.001 0.000 0.202 46 Q C -0.458 175.567 176.000 0.041 0.000 0.903 46 Q CA 0.325 56.157 55.803 0.049 0.000 0.948 46 Q CB 0.124 28.883 28.738 0.036 0.000 1.058 46 Q HN 0.480 nan 8.270 nan 0.000 0.493 47 T N 0.276 114.859 114.554 0.048 0.000 2.956 47 T HA 0.737 5.088 4.350 0.001 0.000 0.312 47 T C -1.320 173.412 174.700 0.053 0.000 1.151 47 T CA -0.539 61.583 62.100 0.037 0.000 1.024 47 T CB 1.848 70.733 68.868 0.028 0.000 1.140 47 T HN 0.292 nan 8.240 nan 0.000 0.473 48 A N 2.551 125.390 122.820 0.031 0.000 2.413 48 A HA 0.889 5.209 4.320 0.001 0.000 0.307 48 A C -1.130 176.458 177.584 0.007 0.000 1.087 48 A CA -0.764 51.292 52.037 0.032 0.000 0.750 48 A CB 0.948 19.954 19.000 0.009 0.000 1.296 48 A HN 0.689 nan 8.150 nan 0.000 0.423 49 I N 1.799 122.381 120.570 0.020 0.000 2.354 49 I HA 0.405 4.575 4.170 0.001 0.000 0.292 49 I C -0.642 175.479 176.117 0.007 0.000 0.989 49 I CA -0.576 60.738 61.300 0.023 0.000 1.188 49 I CB 1.167 39.201 38.000 0.057 0.000 1.342 49 I HN 0.254 nan 8.210 nan 0.000 0.457 50 V N 6.380 126.290 119.914 -0.007 0.000 2.376 50 V HA 0.363 4.483 4.120 0.001 0.000 0.287 50 V C 0.489 176.605 176.094 0.037 0.000 1.015 50 V CA -0.793 61.498 62.300 -0.014 0.000 0.834 50 V CB 0.756 32.529 31.823 -0.084 0.000 1.001 50 V HN 0.890 nan 8.190 nan 0.000 0.428 51 N N 4.024 122.782 118.700 0.096 0.000 2.738 51 N HA -0.236 4.504 4.740 0.001 0.000 0.249 51 N C 1.159 176.701 175.510 0.054 0.000 1.047 51 N CA 0.435 53.538 53.050 0.089 0.000 0.707 51 N CB -0.657 37.866 38.487 0.061 0.000 0.937 51 N HN 1.361 nan 8.380 nan 0.000 0.545 52 G N -1.132 107.710 108.800 0.070 0.000 2.189 52 G HA2 -0.343 3.617 3.960 0.001 0.000 0.267 52 G HA3 -0.343 3.617 3.960 0.001 0.000 0.267 52 G C -0.116 174.800 174.900 0.027 0.000 0.975 52 G CA 0.534 45.660 45.100 0.043 0.000 0.644 52 G HN 0.433 nan 8.290 nan 0.000 0.537 53 Q N 0.614 120.427 119.800 0.022 0.000 2.282 53 Q HA 0.445 4.785 4.340 0.001 0.000 0.260 53 Q C -2.427 173.575 176.000 0.003 0.000 0.964 53 Q CA -1.887 53.921 55.803 0.008 0.000 0.880 53 Q CB 2.609 31.348 28.738 0.002 0.000 1.286 53 Q HN 0.310 nan 8.270 nan 0.000 0.445 54 P HA 0.189 nan 4.420 nan 0.000 0.275 54 P C -0.870 176.421 177.300 -0.015 0.000 1.227 54 P CA -0.469 62.630 63.100 -0.001 0.000 0.781 54 P CB 0.841 32.543 31.700 0.004 0.000 0.906 55 L N 2.908 124.117 121.223 -0.023 0.000 2.441 55 L HA 0.655 4.996 4.340 0.001 0.000 0.270 55 L C -0.594 176.257 176.870 -0.032 0.000 0.973 55 L CA -0.800 54.014 54.840 -0.042 0.000 0.842 55 L CB 1.471 43.482 42.059 -0.081 0.000 1.239 55 L HN 0.425 nan 8.230 nan 0.000 0.406 56 A N 5.935 128.741 122.820 -0.024 0.000 2.488 56 A HA 0.548 4.868 4.320 0.001 0.000 0.249 56 A C -0.588 176.987 177.584 -0.015 0.000 1.083 56 A CA -0.007 52.023 52.037 -0.010 0.000 0.768 56 A CB -0.134 18.861 19.000 -0.007 0.000 1.017 56 A HN 0.751 nan 8.150 nan 0.000 0.496 57 L N 2.819 124.046 121.223 0.007 0.000 2.305 57 L HA 0.298 4.639 4.340 0.001 0.000 0.284 57 L C 1.480 178.369 176.870 0.032 0.000 1.013 57 L CA -0.389 54.465 54.840 0.023 0.000 0.819 57 L CB 1.603 43.703 42.059 0.069 0.000 1.227 57 L HN 1.064 nan 8.230 nan 0.000 0.417 58 Q N 2.571 122.387 119.800 0.027 0.000 2.123 58 Q HA -0.021 4.320 4.340 0.001 0.000 0.199 58 Q C -0.022 176.003 176.000 0.043 0.000 0.966 58 Q CA 1.091 56.911 55.803 0.029 0.000 0.845 58 Q CB 0.514 29.264 28.738 0.021 0.000 0.907 58 Q HN 0.504 nan 8.270 nan 0.000 0.439 59 V N 4.021 123.971 119.914 0.060 0.000 2.293 59 V HA 0.328 4.448 4.120 0.001 0.000 0.275 59 V C -2.210 173.944 176.094 0.101 0.000 1.021 59 V CA -1.605 60.740 62.300 0.075 0.000 0.815 59 V CB 0.864 32.736 31.823 0.081 0.000 1.025 59 V HN 0.266 nan 8.190 nan 0.000 0.448 60 P HA 0.173 nan 4.420 nan 0.000 0.272 60 P C -0.203 177.143 177.300 0.077 0.000 1.240 60 P CA -0.201 62.956 63.100 0.095 0.000 0.791 60 P CB 0.558 32.305 31.700 0.078 0.000 0.978 61 V N 1.563 121.516 119.914 0.065 0.000 2.637 61 V HA 0.098 4.218 4.120 0.001 0.000 0.296 61 V C 0.360 176.483 176.094 0.048 0.000 1.046 61 V CA 0.054 62.339 62.300 -0.024 0.000 1.066 61 V CB 0.921 32.686 31.823 -0.098 0.000 0.968 61 V HN 0.196 nan 8.190 nan 0.000 0.483 62 V N 5.896 125.848 119.914 0.064 0.000 2.448 62 V HA 0.420 4.541 4.120 0.001 0.000 0.295 62 V C 0.047 176.245 176.094 0.173 0.000 1.025 62 V CA -0.691 61.676 62.300 0.112 0.000 0.859 62 V CB 1.788 33.669 31.823 0.096 0.000 0.988 62 V HN 0.723 nan 8.190 nan 0.000 0.431 63 M N 4.752 124.424 119.600 0.120 0.000 2.069 63 M HA 0.428 4.908 4.480 0.001 0.000 0.349 63 M C -0.427 175.950 176.300 0.128 0.000 1.194 63 M CA -0.165 55.192 55.300 0.095 0.000 1.081 63 M CB 0.475 33.080 32.600 0.007 0.000 1.500 63 M HN 0.599 nan 8.290 nan 0.000 0.438 64 K N 2.683 123.231 120.400 0.248 0.000 2.535 64 K HA 0.233 4.554 4.320 0.001 0.000 0.253 64 K C -0.398 176.317 176.600 0.192 0.000 0.953 64 K CA -0.051 56.337 56.287 0.169 0.000 0.863 64 K CB 0.726 33.236 32.500 0.016 0.000 1.111 64 K HN 0.561 nan 8.250 nan 0.000 0.431 65 D N 3.872 124.326 120.400 0.090 0.000 2.800 65 D HA -0.251 4.390 4.640 0.001 0.000 0.232 65 D C -0.546 175.787 176.300 0.055 0.000 1.137 65 D CA 1.776 55.815 54.000 0.065 0.000 0.718 65 D CB -1.554 39.285 40.800 0.066 0.000 1.084 65 D HN 1.086 nan 8.370 nan 0.000 0.432 66 N N -1.704 117.015 118.700 0.032 0.000 2.979 66 N HA -0.222 4.519 4.740 0.001 0.000 0.234 66 N C -0.634 174.837 175.510 -0.066 0.000 0.938 66 N CA 1.118 54.154 53.050 -0.024 0.000 0.961 66 N CB -0.273 38.209 38.487 -0.008 0.000 1.089 66 N HN 0.379 nan 8.380 nan 0.000 0.576 67 K N 0.870 121.265 120.400 -0.008 0.000 2.270 67 K HA 0.686 5.006 4.320 0.001 0.000 0.255 67 K C -0.915 175.601 176.600 -0.140 0.000 0.936 67 K CA -0.174 56.050 56.287 -0.104 0.000 0.809 67 K CB 1.645 34.111 32.500 -0.056 0.000 1.131 67 K HN 0.132 nan 8.250 nan 0.000 0.427 68 A N 3.459 126.075 122.820 -0.340 0.000 2.310 68 A HA 0.581 4.902 4.320 0.001 0.000 0.299 68 A C -1.627 175.554 177.584 -0.672 0.000 1.147 68 A CA -0.489 51.360 52.037 -0.313 0.000 0.818 68 A CB 0.219 19.014 19.000 -0.343 0.000 1.096 68 A HN 0.686 nan 8.150 nan 0.000 0.495 69 W N 0.843 122.018 121.300 -0.207 0.000 2.915 69 W HA 0.554 5.215 4.660 0.001 0.000 0.337 69 W C -0.397 175.972 176.519 -0.249 0.000 1.102 69 W CA -0.567 56.664 57.345 -0.190 0.000 1.224 69 W CB 2.117 31.508 29.460 -0.115 0.000 1.416 69 W HN 0.736 nan 8.180 nan 0.000 0.503 70 V N -0.544 119.347 119.914 -0.038 0.000 3.078 70 V HA 0.709 4.830 4.120 0.001 0.000 0.311 70 V C -0.090 176.024 176.094 0.034 0.000 1.138 70 V CA -1.148 61.058 62.300 -0.155 0.000 1.007 70 V CB 1.261 32.719 31.823 -0.609 0.000 1.045 70 V HN 0.469 nan 8.190 nan 0.000 0.432 71 S N 1.044 116.796 115.700 0.087 0.000 2.568 71 S HA 0.075 4.545 4.470 0.001 0.000 0.282 71 S C 1.183 175.851 174.600 0.114 0.000 1.338 71 S CA 0.418 58.691 58.200 0.122 0.000 1.045 71 S CB 0.450 63.727 63.200 0.129 0.000 0.873 71 S HN 1.144 nan 8.310 nan 0.000 0.516 72 D N 2.139 122.589 120.400 0.083 0.000 2.309 72 D HA -0.127 4.513 4.640 0.001 0.000 0.212 72 D C 1.379 177.686 176.300 0.011 0.000 0.968 72 D CA 1.544 55.572 54.000 0.047 0.000 0.882 72 D CB -0.625 40.200 40.800 0.041 0.000 0.918 72 D HN 0.612 nan 8.370 nan 0.000 0.503 73 T N -3.802 110.758 114.554 0.011 0.000 3.069 73 T HA 0.085 4.435 4.350 0.001 0.000 0.252 73 T C 1.583 176.294 174.700 0.018 0.000 1.053 73 T CA -0.549 61.542 62.100 -0.015 0.000 0.964 73 T CB -0.705 68.127 68.868 -0.060 0.000 1.005 73 T HN 0.045 nan 8.240 nan 0.000 0.532 74 F N 2.540 122.449 119.950 -0.069 0.000 2.025 74 F HA -0.063 4.464 4.527 0.001 0.000 0.297 74 F C 1.896 177.650 175.800 -0.077 0.000 1.132 74 F CA 1.540 59.497 58.000 -0.071 0.000 1.191 74 F CB -0.432 38.531 39.000 -0.062 0.000 0.963 74 F HN 0.072 nan 8.300 nan 0.000 0.481 75 I N 0.363 120.970 120.570 0.062 0.000 2.145 75 I HA -0.413 3.757 4.170 0.001 0.000 0.244 75 I C 2.232 178.268 176.117 -0.135 0.000 1.075 75 I CA 2.108 63.342 61.300 -0.110 0.000 1.332 75 I CB -0.722 36.974 38.000 -0.507 0.000 1.033 75 I HN 0.336 nan 8.210 nan 0.000 0.410 76 N N 0.738 119.360 118.700 -0.129 0.000 2.142 76 N HA -0.195 4.545 4.740 0.001 0.000 0.186 76 N C 1.474 176.924 175.510 -0.100 0.000 1.023 76 N CA 1.674 54.675 53.050 -0.082 0.000 0.852 76 N CB -0.036 38.414 38.487 -0.063 0.000 0.998 76 N HN 0.191 nan 8.380 nan 0.000 0.424 77 D N -0.490 119.815 120.400 -0.159 0.000 2.117 77 D HA -0.088 4.553 4.640 0.001 0.000 0.198 77 D C 1.955 178.102 176.300 -0.255 0.000 0.982 77 D CA 0.824 54.717 54.000 -0.180 0.000 0.828 77 D CB -0.254 40.436 40.800 -0.185 0.000 0.967 77 D HN 0.163 nan 8.370 nan 0.000 0.464 78 V N 0.320 119.971 119.914 -0.440 0.000 2.283 78 V HA -0.140 3.980 4.120 0.001 0.000 0.239 78 V C 2.164 177.961 176.094 -0.496 0.000 1.035 78 V CA 1.096 63.027 62.300 -0.615 0.000 1.018 78 V CB -0.618 30.518 31.823 -1.146 0.000 0.658 78 V HN 0.002 nan 8.190 nan 0.000 0.459 79 F N 0.376 120.198 119.950 -0.213 0.000 2.102 79 F HA -0.138 4.389 4.527 0.001 0.000 0.298 79 F C 1.913 177.708 175.800 -0.009 0.000 1.105 79 F CA 1.212 59.188 58.000 -0.039 0.000 1.239 79 F CB -0.412 38.620 39.000 0.052 0.000 0.991 79 F HN 0.180 nan 8.300 nan 0.000 0.474 80 Q N -0.041 119.820 119.800 0.101 0.000 2.823 80 Q HA 0.116 4.456 4.340 0.001 0.000 0.370 80 Q C 1.480 177.479 176.000 -0.001 0.000 1.110 80 Q CA 0.117 55.957 55.803 0.062 0.000 0.990 80 Q CB 0.178 28.947 28.738 0.051 0.000 1.383 80 Q HN 0.294 nan 8.270 nan 0.000 0.430 81 S N -1.339 114.342 115.700 -0.031 0.000 2.406 81 S HA 0.130 4.601 4.470 0.001 0.000 0.224 81 S C 1.635 176.223 174.600 -0.020 0.000 1.030 81 S CA 0.710 58.876 58.200 -0.055 0.000 0.958 81 S CB 0.091 63.229 63.200 -0.102 0.000 0.811 81 S HN 0.565 nan 8.310 nan 0.000 0.489 82 G N 0.761 109.566 108.800 0.007 0.000 2.211 82 G HA2 -0.179 3.782 3.960 0.001 0.000 0.201 82 G HA3 -0.179 3.782 3.960 0.001 0.000 0.201 82 G C 0.656 175.568 174.900 0.020 0.000 0.997 82 G CA 0.185 45.298 45.100 0.022 0.000 0.652 82 G HN 0.454 nan 8.290 nan 0.000 0.500 83 L N 0.741 121.968 121.223 0.005 0.000 2.313 83 L HA 0.192 4.533 4.340 0.001 0.000 0.214 83 L C 1.024 177.910 176.870 0.027 0.000 1.119 83 L CA 0.850 55.693 54.840 0.005 0.000 0.809 83 L CB -0.039 42.010 42.059 -0.017 0.000 0.933 83 L HN 0.230 nan 8.230 nan 0.000 0.449 84 D N 0.640 121.069 120.400 0.049 0.000 2.365 84 D HA 0.048 4.689 4.640 0.001 0.000 0.237 84 D C 0.517 176.873 176.300 0.092 0.000 1.190 84 D CA 0.038 54.092 54.000 0.089 0.000 0.867 84 D CB 0.967 41.856 40.800 0.149 0.000 1.050 84 D HN 0.150 nan 8.370 nan 0.000 0.491 85 Q N 2.158 121.991 119.800 0.056 0.000 2.246 85 Q HA 0.043 4.384 4.340 0.001 0.000 0.202 85 Q C 1.252 177.265 176.000 0.022 0.000 0.883 85 Q CA -0.007 55.823 55.803 0.045 0.000 0.952 85 Q CB 0.475 29.223 28.738 0.017 0.000 1.078 85 Q HN 0.484 nan 8.270 nan 0.000 0.493 86 T N 0.779 115.341 114.554 0.013 0.000 2.635 86 T HA -0.141 4.210 4.350 0.001 0.000 0.267 86 T C 0.299 174.848 174.700 -0.251 0.000 1.040 86 T CA 1.323 63.335 62.100 -0.146 0.000 1.156 86 T CB -0.111 68.662 68.868 -0.159 0.000 0.863 86 T HN 0.130 nan 8.240 nan 0.000 0.430 87 F N 1.756 121.740 119.950 0.057 0.000 2.415 87 F HA 0.454 4.982 4.527 0.001 0.000 0.348 87 F C 0.610 176.433 175.800 0.038 0.000 1.119 87 F CA -0.957 57.073 58.000 0.051 0.000 1.069 87 F CB 0.977 40.008 39.000 0.052 0.000 1.124 87 F HN -0.102 nan 8.300 nan 0.000 0.472 88 Q N 1.724 121.630 119.800 0.176 0.000 2.359 88 Q HA 0.560 4.900 4.340 0.001 0.000 0.275 88 Q C -1.000 175.066 176.000 0.110 0.000 1.082 88 Q CA -1.064 54.807 55.803 0.113 0.000 0.849 88 Q CB 2.976 31.751 28.738 0.062 0.000 1.377 88 Q HN 0.347 nan 8.270 nan 0.000 0.452 89 V N 1.261 121.223 119.914 0.080 0.000 2.407 89 V HA 0.118 4.238 4.120 0.001 0.000 0.278 89 V C 0.214 176.346 176.094 0.064 0.000 1.037 89 V CA -0.436 61.906 62.300 0.070 0.000 0.900 89 V CB 1.297 33.153 31.823 0.055 0.000 0.983 89 V HN 0.677 nan 8.190 nan 0.000 0.459 90 E N 4.094 124.338 120.200 0.074 0.000 2.324 90 E HA 0.107 4.457 4.350 0.001 0.000 0.271 90 E C 0.518 177.166 176.600 0.080 0.000 1.028 90 E CA -0.108 56.345 56.400 0.088 0.000 0.890 90 E CB 0.802 30.566 29.700 0.106 0.000 1.004 90 E HN 0.576 nan 8.360 nan 0.000 0.431 91 K N 3.197 123.645 120.400 0.080 0.000 2.020 91 K HA 0.016 4.336 4.320 0.001 0.000 0.206 91 K C 0.776 177.429 176.600 0.088 0.000 1.038 91 K CA 0.634 56.962 56.287 0.068 0.000 0.947 91 K CB 0.124 32.654 32.500 0.050 0.000 0.744 91 K HN 0.282 nan 8.250 nan 0.000 0.442 92 R N 2.256 122.832 120.500 0.126 0.000 2.204 92 R HA 0.191 4.531 4.340 0.001 0.000 0.341 92 R C -2.629 173.816 176.300 0.242 0.000 1.035 92 R CA -2.179 54.033 56.100 0.186 0.000 0.887 92 R CB 0.712 31.149 30.300 0.229 0.000 1.114 92 R HN -0.079 nan 8.270 nan 0.000 0.473 93 P HA -0.068 nan 4.420 nan 0.000 0.264 93 P C -0.944 176.338 177.300 -0.029 0.000 1.193 93 P CA 0.170 63.320 63.100 0.083 0.000 0.763 93 P CB 0.401 32.115 31.700 0.024 0.000 0.810 94 H N 5.783 124.808 119.070 -0.075 0.000 2.764 94 H HA 0.082 4.639 4.556 0.001 0.000 0.341 94 H C -1.002 174.048 175.328 -0.463 0.000 1.072 94 H CA -1.293 54.567 56.048 -0.315 0.000 1.444 94 H CB 0.777 30.548 29.762 0.014 0.000 1.458 94 H HN 0.340 nan 8.280 nan 0.000 0.572 95 P HA -0.179 nan 4.420 nan 0.000 0.219 95 P C 0.756 177.920 177.300 -0.227 0.000 1.146 95 P CA 1.249 64.070 63.100 -0.464 0.000 0.808 95 P CB 0.300 31.662 31.700 -0.563 0.000 0.779 96 L N -1.551 119.580 121.223 -0.153 0.000 2.592 96 L HA 0.141 4.481 4.340 0.001 0.000 0.227 96 L C 0.484 177.234 176.870 -0.200 0.000 1.127 96 L CA -0.357 54.307 54.840 -0.293 0.000 0.884 96 L CB -0.916 40.818 42.059 -0.541 0.000 1.065 96 L HN -0.138 nan 8.230 nan 0.000 0.457 97 N N 1.931 120.604 118.700 -0.044 0.000 2.412 97 N HA 0.133 4.874 4.740 0.001 0.000 0.254 97 N C 0.367 175.890 175.510 0.022 0.000 1.232 97 N CA 0.230 53.343 53.050 0.105 0.000 0.880 97 N CB 0.725 39.271 38.487 0.098 0.000 1.076 97 N HN 0.133 nan 8.380 nan 0.000 0.458 98 A N 2.353 125.190 122.820 0.028 0.000 2.386 98 A HA 0.229 4.549 4.320 0.001 0.000 0.246 98 A C 0.511 178.087 177.584 -0.013 0.000 1.089 98 A CA -0.466 51.566 52.037 -0.008 0.000 0.790 98 A CB 0.027 19.017 19.000 -0.018 0.000 1.042 98 A HN 0.678 nan 8.150 nan 0.000 0.497 99 L N 1.345 122.556 121.223 -0.021 0.000 2.525 99 L HA 0.114 4.454 4.340 0.001 0.000 0.278 99 L C 1.469 178.325 176.870 -0.023 0.000 1.218 99 L CA 0.076 54.902 54.840 -0.024 0.000 0.878 99 L CB -0.103 41.939 42.059 -0.028 0.000 1.127 99 L HN 0.969 nan 8.230 nan 0.000 0.492 100 T N -0.199 114.341 114.554 -0.022 0.000 2.788 100 T HA 0.332 4.683 4.350 0.001 0.000 0.287 100 T C 1.199 175.882 174.700 -0.029 0.000 1.007 100 T CA -0.227 61.861 62.100 -0.021 0.000 1.005 100 T CB 1.454 70.311 68.868 -0.017 0.000 1.012 100 T HN 0.640 nan 8.240 nan 0.000 0.530 101 A N 0.632 123.435 122.820 -0.028 0.000 2.019 101 A HA -0.059 4.261 4.320 0.001 0.000 0.219 101 A C 1.982 179.541 177.584 -0.042 0.000 1.164 101 A CA 1.612 53.628 52.037 -0.036 0.000 0.644 101 A CB -0.956 18.026 19.000 -0.030 0.000 0.805 101 A HN 0.891 nan 8.150 nan 0.000 0.449 102 D N -0.241 120.138 120.400 -0.035 0.000 2.123 102 D HA -0.091 4.550 4.640 0.001 0.000 0.200 102 D C 1.952 178.226 176.300 -0.043 0.000 0.976 102 D CA 1.348 55.326 54.000 -0.036 0.000 0.831 102 D CB -0.346 40.438 40.800 -0.027 0.000 0.974 102 D HN 0.641 nan 8.370 nan 0.000 0.469 103 E N 0.156 120.332 120.200 -0.040 0.000 2.106 103 E HA -0.098 4.252 4.350 0.001 0.000 0.192 103 E C 2.287 178.850 176.600 -0.061 0.000 0.984 103 E CA 0.369 56.743 56.400 -0.043 0.000 0.806 103 E CB 0.023 29.702 29.700 -0.034 0.000 0.750 103 E HN 0.290 nan 8.360 nan 0.000 0.458 104 I N 1.453 121.982 120.570 -0.069 0.000 2.179 104 I HA -0.312 3.858 4.170 0.001 0.000 0.242 104 I C 2.271 178.307 176.117 -0.135 0.000 1.088 104 I CA 1.358 62.598 61.300 -0.100 0.000 1.357 104 I CB -0.168 37.776 38.000 -0.092 0.000 1.051 104 I HN 0.015 nan 8.210 nan 0.000 0.409 105 K N 0.159 120.493 120.400 -0.110 0.000 2.057 105 K HA -0.261 4.059 4.320 0.001 0.000 0.207 105 K C 2.134 178.666 176.600 -0.112 0.000 1.049 105 K CA 1.406 57.623 56.287 -0.116 0.000 0.931 105 K CB -0.303 32.148 32.500 -0.082 0.000 0.714 105 K HN 0.412 nan 8.250 nan 0.000 0.440 106 Q N 0.767 120.516 119.800 -0.085 0.000 2.084 106 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 106 Q C 2.053 178.008 176.000 -0.075 0.000 0.978 106 Q CA 1.544 57.306 55.803 -0.068 0.000 0.844 106 Q CB -0.075 28.634 28.738 -0.048 0.000 0.898 106 Q HN 0.338 nan 8.270 nan 0.000 0.426 107 A N -0.154 122.613 122.820 -0.088 0.000 1.898 107 A HA -0.088 4.233 4.320 0.001 0.000 0.216 107 A C 2.170 179.679 177.584 -0.125 0.000 1.181 107 A CA 1.270 53.258 52.037 -0.082 0.000 0.620 107 A CB -0.566 18.389 19.000 -0.075 0.000 0.819 107 A HN 0.298 nan 8.150 nan 0.000 0.442 108 V N 0.155 119.937 119.914 -0.221 0.000 2.515 108 V HA -0.239 3.882 4.120 0.001 0.000 0.250 108 V C 2.333 178.289 176.094 -0.229 0.000 1.058 108 V CA 2.246 64.349 62.300 -0.329 0.000 1.064 108 V CB -0.725 30.809 31.823 -0.483 0.000 0.675 108 V HN 0.643 nan 8.190 nan 0.000 0.461 109 E N -0.275 119.828 120.200 -0.162 0.000 2.152 109 E HA -0.104 4.246 4.350 0.001 0.000 0.192 109 E C 2.141 178.679 176.600 -0.104 0.000 0.983 109 E CA 0.981 57.303 56.400 -0.129 0.000 0.818 109 E CB -0.083 29.565 29.700 -0.086 0.000 0.758 109 E HN 0.554 nan 8.360 nan 0.000 0.467 110 I N 0.801 121.330 120.570 -0.069 0.000 2.163 110 I HA -0.233 3.938 4.170 0.001 0.000 0.240 110 I C 2.558 178.686 176.117 0.020 0.000 1.081 110 I CA 1.014 62.305 61.300 -0.015 0.000 1.353 110 I CB -0.321 37.687 38.000 0.013 0.000 1.054 110 I HN 0.090 nan 8.210 nan 0.000 0.407 111 V N -1.574 118.364 119.914 0.040 0.000 2.626 111 V HA -0.180 3.941 4.120 0.001 0.000 0.252 111 V C 2.204 178.228 176.094 -0.116 0.000 1.067 111 V CA 1.419 63.844 62.300 0.208 0.000 1.081 111 V CB -0.852 31.192 31.823 0.370 0.000 0.686 111 V HN 0.330 nan 8.190 nan 0.000 0.468 112 K N 1.021 121.106 120.400 -0.527 0.000 2.211 112 K HA 0.160 4.481 4.320 0.001 0.000 0.203 112 K C 2.062 178.527 176.600 -0.225 0.000 1.050 112 K CA 1.301 57.082 56.287 -0.844 0.000 0.945 112 K CB -0.271 31.882 32.500 -0.578 0.000 0.732 112 K HN 0.610 nan 8.250 nan 0.000 0.451 113 A N 0.901 123.653 122.820 -0.114 0.000 2.275 113 A HA 0.044 4.365 4.320 0.001 0.000 0.212 113 A C 0.792 178.370 177.584 -0.011 0.000 1.201 113 A CA -0.087 51.928 52.037 -0.036 0.000 0.843 113 A CB 0.107 19.086 19.000 -0.034 0.000 0.873 113 A HN 0.136 nan 8.150 nan 0.000 0.492 114 S N -0.555 115.152 115.700 0.012 0.000 2.580 114 S HA 0.457 4.927 4.470 0.001 0.000 0.274 114 S C 1.466 175.997 174.600 -0.116 0.000 1.329 114 S CA 0.045 58.220 58.200 -0.042 0.000 1.036 114 S CB 1.128 64.316 63.200 -0.021 0.000 0.919 114 S HN 0.755 nan 8.310 nan 0.000 0.515 115 A N 3.772 126.473 122.820 -0.198 0.000 1.908 115 A HA -0.106 4.214 4.320 0.001 0.000 0.218 115 A C 1.445 178.880 177.584 -0.249 0.000 1.181 115 A CA 2.234 54.158 52.037 -0.187 0.000 0.627 115 A CB -0.998 17.892 19.000 -0.183 0.000 0.818 115 A HN 0.932 nan 8.150 nan 0.000 0.445 116 D N -2.130 117.960 120.400 -0.516 0.000 2.349 116 D HA 0.162 4.802 4.640 0.001 0.000 0.215 116 D C 0.289 176.363 176.300 -0.377 0.000 1.016 116 D CA -0.207 53.451 54.000 -0.570 0.000 0.870 116 D CB -0.069 40.166 40.800 -0.940 0.000 0.917 116 D HN 0.400 nan 8.370 nan 0.000 0.524 117 F N 2.482 122.196 119.950 -0.393 0.000 2.608 117 F HA 0.034 4.561 4.527 0.000 0.000 0.380 117 F C 0.501 176.342 175.800 0.070 0.000 1.083 117 F CA -0.048 58.003 58.000 0.086 0.000 1.266 117 F CB 0.458 39.571 39.000 0.188 0.000 1.076 117 F HN -0.340 nan 8.300 nan 0.000 0.574 118 K N 7.745 127.848 120.400 -0.495 0.000 2.206 118 K HA 0.381 4.701 4.320 0.001 0.000 0.264 118 K C -2.571 173.767 176.600 -0.437 0.000 0.967 118 K CA -1.959 54.135 56.287 -0.321 0.000 0.844 118 K CB 1.369 33.739 32.500 -0.216 0.000 1.099 118 K HN 0.305 nan 8.250 nan 0.000 0.441 119 P HA 0.074 nan 4.420 nan 0.000 0.267 119 P C -0.091 177.172 177.300 -0.063 0.000 1.200 119 P CA 0.144 63.246 63.100 0.005 0.000 0.772 119 P CB 0.364 32.103 31.700 0.065 0.000 0.855 120 N N -2.061 116.641 118.700 0.003 0.000 2.925 120 N HA -0.122 4.618 4.740 0.001 0.000 0.244 120 N C -0.507 174.949 175.510 -0.090 0.000 1.000 120 N CA 1.090 54.134 53.050 -0.009 0.000 0.895 120 N CB -2.102 36.383 38.487 -0.004 0.000 1.119 120 N HN 0.378 nan 8.380 nan 0.000 0.569 121 T N 1.233 115.648 114.554 -0.233 0.000 2.919 121 T HA 0.298 4.648 4.350 0.001 0.000 0.302 121 T C 0.881 175.371 174.700 -0.350 0.000 1.031 121 T CA 0.146 62.018 62.100 -0.380 0.000 1.127 121 T CB 0.992 69.400 68.868 -0.767 0.000 0.952 121 T HN 0.094 nan 8.240 nan 0.000 0.540 122 R N 0.895 121.185 120.500 -0.350 0.000 2.828 122 R HA 0.544 4.885 4.340 0.001 0.000 0.264 122 R C -1.083 174.929 176.300 -0.480 0.000 1.022 122 R CA -0.711 55.245 56.100 -0.240 0.000 1.021 122 R CB 1.186 31.553 30.300 0.111 0.000 1.163 122 R HN 0.471 nan 8.270 nan 0.000 0.494 123 F N 0.444 120.490 119.950 0.159 0.000 2.325 123 F HA 0.176 4.703 4.527 0.000 0.000 0.369 123 F C 1.538 177.417 175.800 0.132 0.000 1.095 123 F CA -0.635 57.437 58.000 0.120 0.000 1.082 123 F CB 1.607 40.662 39.000 0.092 0.000 1.289 123 F HN 0.643 nan 8.300 nan 0.000 0.462 124 T N -1.583 113.091 114.554 0.201 0.000 2.821 124 T HA -0.053 4.298 4.350 0.001 0.000 0.267 124 T C 0.413 175.211 174.700 0.164 0.000 1.046 124 T CA 0.882 63.078 62.100 0.160 0.000 1.139 124 T CB 0.139 69.072 68.868 0.109 0.000 0.871 124 T HN 0.583 nan 8.240 nan 0.000 0.454 125 E N -0.523 119.783 120.200 0.177 0.000 2.388 125 E HA 0.489 4.839 4.350 0.001 0.000 0.289 125 E C -2.067 174.614 176.600 0.136 0.000 0.944 125 E CA -0.735 55.746 56.400 0.136 0.000 0.792 125 E CB 1.629 31.384 29.700 0.091 0.000 1.239 125 E HN 0.367 nan 8.360 nan 0.000 0.412 126 I N 3.147 123.774 120.570 0.095 0.000 2.420 126 I HA 0.359 4.529 4.170 0.001 0.000 0.282 126 I C -0.669 175.465 176.117 0.027 0.000 1.019 126 I CA -0.203 61.127 61.300 0.050 0.000 1.130 126 I CB 1.782 39.774 38.000 -0.013 0.000 1.262 126 I HN 0.289 nan 8.210 nan 0.000 0.454 127 S N 4.968 120.686 115.700 0.029 0.000 2.595 127 S HA 0.563 5.033 4.470 0.001 0.000 0.281 127 S C -0.755 173.849 174.600 0.007 0.000 1.117 127 S CA -0.641 57.568 58.200 0.016 0.000 0.873 127 S CB 2.283 65.501 63.200 0.030 0.000 1.108 127 S HN 0.491 nan 8.310 nan 0.000 0.477 128 L N 2.716 123.935 121.223 -0.007 0.000 2.490 128 L HA 0.379 4.720 4.340 0.001 0.000 0.274 128 L C -0.515 176.350 176.870 -0.008 0.000 1.201 128 L CA 0.280 55.111 54.840 -0.015 0.000 0.869 128 L CB 0.119 42.159 42.059 -0.031 0.000 1.123 128 L HN 0.679 nan 8.230 nan 0.000 0.484 129 L N 8.058 129.278 121.223 -0.005 0.000 2.257 129 L HA 0.502 4.842 4.340 0.001 0.000 0.290 129 L C -2.041 174.826 176.870 -0.005 0.000 1.044 129 L CA -1.989 52.853 54.840 0.003 0.000 0.810 129 L CB 0.952 43.017 42.059 0.010 0.000 1.193 129 L HN 0.612 nan 8.230 nan 0.000 0.425 130 P HA 0.077 nan 4.420 nan 0.000 0.258 130 P C -2.472 174.839 177.300 0.018 0.000 1.172 130 P CA -0.633 62.474 63.100 0.011 0.000 0.762 130 P CB -0.257 31.470 31.700 0.045 0.000 0.764 131 P HA 0.067 nan 4.420 nan 0.000 0.272 131 P C -0.322 176.997 177.300 0.031 0.000 1.240 131 P CA -0.144 62.955 63.100 -0.002 0.000 0.791 131 P CB 0.256 31.930 31.700 -0.043 0.000 0.978 132 D N 0.396 120.811 120.400 0.025 0.000 2.487 132 D HA -0.076 4.564 4.640 0.001 0.000 0.243 132 D C 1.354 177.654 176.300 0.001 0.000 1.154 132 D CA 0.180 54.198 54.000 0.030 0.000 0.876 132 D CB 0.603 41.420 40.800 0.028 0.000 1.161 132 D HN 0.328 nan 8.370 nan 0.000 0.478 133 K N 3.294 123.650 120.400 -0.074 0.000 2.089 133 K HA -0.324 3.996 4.320 0.001 0.000 0.210 133 K C 1.634 178.062 176.600 -0.286 0.000 1.048 133 K CA 1.950 57.964 56.287 -0.454 0.000 0.926 133 K CB -0.044 31.981 32.500 -0.792 0.000 0.714 133 K HN 0.658 nan 8.250 nan 0.000 0.448 134 E N -0.533 119.615 120.200 -0.086 0.000 2.072 134 E HA -0.153 4.198 4.350 0.001 0.000 0.191 134 E C 1.885 178.547 176.600 0.104 0.000 0.985 134 E CA 0.977 57.404 56.400 0.047 0.000 0.801 134 E CB -0.160 29.563 29.700 0.038 0.000 0.750 134 E HN 0.516 nan 8.360 nan 0.000 0.452 135 A N 0.320 123.183 122.820 0.072 0.000 1.969 135 A HA -0.101 4.220 4.320 0.001 0.000 0.218 135 A C 2.325 179.984 177.584 0.124 0.000 1.169 135 A CA 1.024 53.113 52.037 0.087 0.000 0.635 135 A CB -0.387 18.642 19.000 0.049 0.000 0.810 135 A HN 0.203 nan 8.150 nan 0.000 0.445 136 V N -2.334 117.640 119.914 0.100 0.000 2.358 136 V HA -0.259 3.862 4.120 0.001 0.000 0.246 136 V C 2.178 178.416 176.094 0.240 0.000 1.047 136 V CA 1.606 63.964 62.300 0.097 0.000 1.035 136 V CB -0.854 31.024 31.823 0.091 0.000 0.658 136 V HN 0.804 nan 8.190 nan 0.000 0.452 137 W N -0.235 121.176 121.300 0.185 0.000 2.418 137 W HA -0.043 4.618 4.660 0.001 0.000 0.292 137 W C 2.500 179.091 176.519 0.120 0.000 1.213 137 W CA 0.749 58.197 57.345 0.171 0.000 1.283 137 W CB -0.103 29.420 29.460 0.105 0.000 1.119 137 W HN 0.190 nan 8.180 nan 0.000 0.542 138 A N -0.541 122.477 122.820 0.330 0.000 2.015 138 A HA -0.209 4.112 4.320 0.001 0.000 0.219 138 A C 1.585 179.270 177.584 0.168 0.000 1.163 138 A CA 1.308 53.462 52.037 0.196 0.000 0.646 138 A CB -1.012 18.071 19.000 0.139 0.000 0.806 138 A HN 0.432 nan 8.150 nan 0.000 0.448 139 F N 0.676 120.666 119.950 0.067 0.000 2.149 139 F HA 0.128 4.655 4.527 0.001 0.000 0.294 139 F C 2.395 178.206 175.800 0.018 0.000 1.095 139 F CA 1.193 59.188 58.000 -0.008 0.000 1.276 139 F CB -0.343 38.590 39.000 -0.112 0.000 1.023 139 F HN 0.205 nan 8.300 nan 0.000 0.480 140 A N 0.260 123.231 122.820 0.251 0.000 1.968 140 A HA 0.003 4.324 4.320 0.001 0.000 0.217 140 A C 2.089 179.779 177.584 0.176 0.000 1.169 140 A CA 1.665 53.854 52.037 0.253 0.000 0.638 140 A CB -0.821 18.463 19.000 0.475 0.000 0.812 140 A HN 0.507 nan 8.150 nan 0.000 0.446 141 L N -2.151 119.185 121.223 0.188 0.000 2.470 141 L HA 0.147 4.487 4.340 0.001 0.000 0.219 141 L C 1.768 178.648 176.870 0.017 0.000 1.071 141 L CA 0.655 55.559 54.840 0.106 0.000 0.850 141 L CB 0.091 42.216 42.059 0.110 0.000 1.040 141 L HN 0.286 nan 8.230 nan 0.000 0.475 142 E N -0.164 120.032 120.200 -0.005 0.000 2.539 142 E HA 0.045 4.396 4.350 0.001 0.000 0.215 142 E C 0.028 176.562 176.600 -0.110 0.000 0.965 142 E CA 0.069 56.445 56.400 -0.039 0.000 1.019 142 E CB 0.413 30.110 29.700 -0.004 0.000 1.059 142 E HN 0.386 nan 8.360 nan 0.000 0.496 143 N N 1.695 120.255 118.700 -0.233 0.000 2.725 143 N HA -0.257 4.483 4.740 0.001 0.000 0.249 143 N C -0.603 174.757 175.510 -0.251 0.000 1.103 143 N CA 0.663 53.418 53.050 -0.492 0.000 0.707 143 N CB -1.278 36.940 38.487 -0.448 0.000 1.043 143 N HN 0.113 nan 8.380 nan 0.000 0.553 144 K N 1.348 121.701 120.400 -0.079 0.000 2.349 144 K HA 0.228 4.548 4.320 0.001 0.000 0.289 144 K C -2.060 174.653 176.600 0.189 0.000 1.064 144 K CA -1.212 55.103 56.287 0.046 0.000 0.947 144 K CB 0.787 33.323 32.500 0.059 0.000 1.007 144 K HN 0.149 nan 8.250 nan 0.000 0.478 145 P HA -0.087 nan 4.420 nan 0.000 0.267 145 P C 0.944 178.333 177.300 0.149 0.000 1.200 145 P CA -0.124 63.120 63.100 0.240 0.000 0.772 145 P CB 0.729 32.513 31.700 0.141 0.000 0.855 146 V N 1.844 121.802 119.914 0.073 0.000 2.261 146 V HA -0.216 3.904 4.120 0.001 0.000 0.246 146 V C 0.711 176.815 176.094 0.017 0.000 1.047 146 V CA 2.109 64.417 62.300 0.012 0.000 1.015 146 V CB -1.276 30.491 31.823 -0.093 0.000 0.642 146 V HN 0.711 nan 8.190 nan 0.000 0.446 147 D N 0.576 120.981 120.400 0.009 0.000 2.775 147 D HA -0.141 4.499 4.640 0.001 0.000 0.235 147 D C 0.177 176.480 176.300 0.006 0.000 1.120 147 D CA 1.054 55.061 54.000 0.011 0.000 0.708 147 D CB -0.910 39.903 40.800 0.023 0.000 1.084 147 D HN 0.874 nan 8.370 nan 0.000 0.434 148 Q N -1.036 118.761 119.800 -0.004 0.000 2.315 148 Q HA 0.629 4.969 4.340 0.001 0.000 0.273 148 Q C -3.043 172.950 176.000 -0.011 0.000 1.053 148 Q CA -1.599 54.203 55.803 -0.003 0.000 0.817 148 Q CB 2.760 31.499 28.738 0.001 0.000 1.326 148 Q HN -0.202 nan 8.270 nan 0.000 0.423 149 P HA 0.008 nan 4.420 nan 0.000 0.267 149 P C -0.646 176.645 177.300 -0.015 0.000 1.200 149 P CA -0.103 62.991 63.100 -0.009 0.000 0.772 149 P CB 0.545 32.244 31.700 -0.001 0.000 0.855 150 R N 2.397 122.884 120.500 -0.021 0.000 2.489 150 R HA 0.202 4.543 4.340 0.001 0.000 0.287 150 R C 0.478 176.769 176.300 -0.014 0.000 1.053 150 R CA 0.268 56.353 56.100 -0.026 0.000 1.036 150 R CB 0.369 30.650 30.300 -0.030 0.000 0.966 150 R HN 0.522 nan 8.270 nan 0.000 0.432 151 K N 0.772 121.165 120.400 -0.012 0.000 2.340 151 K HA 0.655 4.975 4.320 0.001 0.000 0.244 151 K C -0.991 175.608 176.600 -0.002 0.000 0.973 151 K CA -0.742 55.544 56.287 -0.001 0.000 0.828 151 K CB 2.369 34.873 32.500 0.006 0.000 1.226 151 K HN 0.596 nan 8.250 nan 0.000 0.437 152 A N 1.487 124.310 122.820 0.005 0.000 2.386 152 A HA 0.419 4.740 4.320 0.001 0.000 0.311 152 A C -1.351 176.244 177.584 0.019 0.000 1.068 152 A CA -0.763 51.276 52.037 0.005 0.000 0.743 152 A CB 0.938 19.935 19.000 -0.005 0.000 1.258 152 A HN 0.639 nan 8.150 nan 0.000 0.429 153 D N 1.398 121.813 120.400 0.024 0.000 2.232 153 D HA 0.463 5.104 4.640 0.001 0.000 0.242 153 D C -0.805 175.525 176.300 0.050 0.000 1.093 153 D CA 0.226 54.248 54.000 0.037 0.000 0.845 153 D CB 1.828 42.655 40.800 0.045 0.000 1.124 153 D HN 0.175 nan 8.370 nan 0.000 0.467 154 V N 4.397 124.344 119.914 0.056 0.000 2.376 154 V HA 0.396 4.517 4.120 0.001 0.000 0.287 154 V C 0.267 176.410 176.094 0.081 0.000 1.015 154 V CA -0.730 61.632 62.300 0.102 0.000 0.834 154 V CB 1.308 33.211 31.823 0.133 0.000 1.001 154 V HN 0.349 nan 8.190 nan 0.000 0.428 155 I N 6.452 127.095 120.570 0.121 0.000 2.330 155 I HA 0.563 4.733 4.170 0.001 0.000 0.289 155 I C -0.050 176.112 176.117 0.074 0.000 1.001 155 I CA -0.240 61.110 61.300 0.083 0.000 1.193 155 I CB 1.332 39.415 38.000 0.139 0.000 1.345 155 I HN 0.547 nan 8.210 nan 0.000 0.461 156 M N 6.423 125.989 119.600 -0.056 0.000 2.602 156 M HA 0.586 5.066 4.480 0.001 0.000 0.312 156 M C -1.167 175.033 176.300 -0.166 0.000 1.181 156 M CA -0.993 54.207 55.300 -0.167 0.000 0.910 156 M CB 2.668 35.077 32.600 -0.319 0.000 1.723 156 M HN 0.309 nan 8.290 nan 0.000 0.459 157 L N 2.199 123.318 121.223 -0.173 0.000 2.294 157 L HA 0.417 4.758 4.340 0.001 0.000 0.283 157 L C -1.016 175.763 176.870 -0.151 0.000 1.015 157 L CA 0.138 54.898 54.840 -0.133 0.000 0.831 157 L CB 0.854 42.861 42.059 -0.086 0.000 1.217 157 L HN 0.678 nan 8.230 nan 0.000 0.420 158 D N 4.654 124.989 120.400 -0.109 0.000 2.500 158 D HA 0.505 5.145 4.640 0.001 0.000 0.219 158 D C 0.930 177.218 176.300 -0.020 0.000 1.137 158 D CA 0.813 54.761 54.000 -0.086 0.000 0.946 158 D CB 0.373 41.135 40.800 -0.062 0.000 1.022 158 D HN 0.832 nan 8.370 nan 0.000 0.518 159 G N 4.929 113.693 108.800 -0.060 0.000 2.950 159 G HA2 -0.368 3.592 3.960 0.001 0.000 0.299 159 G HA3 -0.368 3.592 3.960 0.001 0.000 0.299 159 G C 0.893 175.722 174.900 -0.119 0.000 1.310 159 G CA 0.669 45.731 45.100 -0.063 0.000 0.994 159 G HN 0.596 nan 8.290 nan 0.000 0.575 160 K N 1.085 121.346 120.400 -0.232 0.000 2.355 160 K HA 0.261 4.582 4.320 0.001 0.000 0.198 160 K C 0.289 176.622 176.600 -0.444 0.000 1.039 160 K CA 0.077 56.174 56.287 -0.317 0.000 1.075 160 K CB 0.289 32.584 32.500 -0.341 0.000 0.870 160 K HN 0.660 nan 8.250 nan 0.000 0.540 161 H N 1.542 120.525 119.070 -0.145 0.000 2.473 161 H HA 0.267 4.823 4.556 0.000 0.000 0.327 161 H C -0.207 175.005 175.328 -0.193 0.000 1.105 161 H CA -0.739 55.202 56.048 -0.179 0.000 1.280 161 H CB 1.536 31.215 29.762 -0.139 0.000 1.450 161 H HN -0.010 nan 8.280 nan 0.000 0.492 162 I N 4.619 125.117 120.570 -0.120 0.000 2.325 162 I HA 0.175 4.345 4.170 0.001 0.000 0.291 162 I C 0.309 176.316 176.117 -0.184 0.000 1.019 162 I CA -0.271 60.898 61.300 -0.218 0.000 1.302 162 I CB 0.361 38.079 38.000 -0.469 0.000 1.401 162 I HN 0.383 nan 8.210 nan 0.000 0.485 163 I N 6.083 126.531 120.570 -0.203 0.000 2.608 163 I HA 0.334 4.504 4.170 0.001 0.000 0.295 163 I C -0.020 175.927 176.117 -0.283 0.000 1.049 163 I CA -0.409 60.719 61.300 -0.286 0.000 1.063 163 I CB 2.092 39.815 38.000 -0.461 0.000 1.248 163 I HN 0.423 nan 8.210 nan 0.000 0.424 164 E N 4.380 124.420 120.200 -0.266 0.000 2.191 164 E HA 0.746 5.097 4.350 0.001 0.000 0.263 164 E C -1.098 175.371 176.600 -0.218 0.000 0.881 164 E CA -0.797 55.510 56.400 -0.155 0.000 0.757 164 E CB 2.187 31.873 29.700 -0.024 0.000 1.147 164 E HN 0.656 nan 8.360 nan 0.000 0.414 165 A N 2.507 125.215 122.820 -0.187 0.000 2.356 165 A HA 0.734 5.055 4.320 0.001 0.000 0.323 165 A C -0.833 176.753 177.584 0.003 0.000 1.119 165 A CA -0.628 51.347 52.037 -0.103 0.000 0.790 165 A CB 1.505 20.427 19.000 -0.130 0.000 1.273 165 A HN 0.361 nan 8.150 nan 0.000 0.452 166 V N 1.711 121.653 119.914 0.047 0.000 2.525 166 V HA 0.563 4.684 4.120 0.001 0.000 0.299 166 V C -0.409 175.724 176.094 0.064 0.000 1.034 166 V CA -0.506 61.823 62.300 0.050 0.000 0.863 166 V CB 1.465 33.315 31.823 0.045 0.000 0.999 166 V HN 1.182 nan 8.190 nan 0.000 0.423 167 V N 1.058 121.002 119.914 0.049 0.000 2.495 167 V HA 0.667 4.787 4.120 0.001 0.000 0.298 167 V C -0.477 175.634 176.094 0.027 0.000 1.031 167 V CA -0.502 61.825 62.300 0.045 0.000 0.871 167 V CB 1.928 33.775 31.823 0.040 0.000 0.988 167 V HN 0.832 nan 8.190 nan 0.000 0.432 168 D N 4.307 124.723 120.400 0.027 0.000 2.393 168 D HA 0.288 4.929 4.640 0.001 0.000 0.232 168 D C 0.910 177.215 176.300 0.008 0.000 1.192 168 D CA -0.049 53.960 54.000 0.016 0.000 0.882 168 D CB 1.350 42.161 40.800 0.018 0.000 1.038 168 D HN 0.684 nan 8.370 nan 0.000 0.499 169 L N 2.899 124.122 121.223 0.000 0.000 2.093 169 L HA -0.135 4.205 4.340 0.001 0.000 0.208 169 L C 2.529 179.395 176.870 -0.007 0.000 1.085 169 L CA 0.697 55.532 54.840 -0.007 0.000 0.755 169 L CB -0.250 41.801 42.059 -0.014 0.000 0.904 169 L HN 0.504 nan 8.230 nan 0.000 0.435 170 Q N 0.351 120.147 119.800 -0.006 0.000 2.061 170 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 170 Q C 1.573 177.572 176.000 -0.002 0.000 0.984 170 Q CA 1.701 57.501 55.803 -0.005 0.000 0.846 170 Q CB 0.144 28.879 28.738 -0.005 0.000 0.902 170 Q HN 0.496 nan 8.270 nan 0.000 0.421 171 N N 0.294 118.995 118.700 0.002 0.000 2.353 171 N HA -0.027 4.713 4.740 0.001 0.000 0.185 171 N C -0.392 175.121 175.510 0.004 0.000 1.098 171 N CA 0.366 53.418 53.050 0.004 0.000 0.872 171 N CB 0.115 38.606 38.487 0.008 0.000 0.970 171 N HN 0.291 nan 8.380 nan 0.000 0.467 172 N N 0.480 119.181 118.700 0.003 0.000 2.727 172 N HA -0.163 4.577 4.740 0.001 0.000 0.251 172 N C -1.368 174.148 175.510 0.010 0.000 1.040 172 N CA 0.618 53.669 53.050 0.002 0.000 0.712 172 N CB -0.311 38.174 38.487 -0.004 0.000 0.912 172 N HN -0.018 nan 8.380 nan 0.000 0.545 173 K N 0.833 121.243 120.400 0.018 0.000 2.378 173 K HA 0.415 4.736 4.320 0.001 0.000 0.252 173 K C -0.788 175.839 176.600 0.046 0.000 0.931 173 K CA -0.875 55.429 56.287 0.028 0.000 0.794 173 K CB 1.683 34.199 32.500 0.026 0.000 1.181 173 K HN 0.223 nan 8.250 nan 0.000 0.425 174 L N 4.650 125.912 121.223 0.064 0.000 2.281 174 L HA 0.214 4.555 4.340 0.001 0.000 0.285 174 L C 0.588 177.517 176.870 0.097 0.000 1.074 174 L CA 0.278 55.181 54.840 0.105 0.000 0.817 174 L CB 0.221 42.374 42.059 0.156 0.000 1.168 174 L HN 0.673 nan 8.230 nan 0.000 0.434 175 L N 3.096 124.376 121.223 0.095 0.000 2.298 175 L HA 0.268 4.608 4.340 0.001 0.000 0.209 175 L C 0.315 177.245 176.870 0.099 0.000 1.084 175 L CA 0.394 55.282 54.840 0.080 0.000 0.816 175 L CB -0.232 41.862 42.059 0.059 0.000 0.967 175 L HN 0.809 nan 8.230 nan 0.000 0.460 176 S N -2.169 113.611 115.700 0.133 0.000 2.543 176 S HA 0.372 4.843 4.470 0.001 0.000 0.274 176 S C -1.871 172.868 174.600 0.231 0.000 1.149 176 S CA -0.750 57.543 58.200 0.154 0.000 0.866 176 S CB 1.976 65.235 63.200 0.099 0.000 1.111 176 S HN 0.207 nan 8.310 nan 0.000 0.457 177 W N 2.585 123.912 121.300 0.046 0.000 2.587 177 W HA 0.464 5.124 4.660 0.001 0.000 0.324 177 W C -1.729 174.812 176.519 0.037 0.000 1.008 177 W CA -0.408 56.968 57.345 0.052 0.000 1.265 177 W CB 1.493 30.985 29.460 0.053 0.000 1.328 177 W HN 0.913 nan 8.180 nan 0.000 0.432 178 Q N 6.176 125.936 119.800 -0.065 0.000 2.294 178 Q HA 0.295 4.635 4.340 0.001 0.000 0.264 178 Q C -2.503 173.459 176.000 -0.065 0.000 0.992 178 Q CA -1.928 53.880 55.803 0.008 0.000 0.747 178 Q CB 2.833 31.587 28.738 0.027 0.000 1.262 178 Q HN 0.089 nan 8.270 nan 0.000 0.452 179 P HA 0.074 nan 4.420 nan 0.000 0.271 179 P C -0.752 176.524 177.300 -0.040 0.000 1.216 179 P CA 0.017 63.100 63.100 -0.029 0.000 0.771 179 P CB 0.585 32.293 31.700 0.013 0.000 0.864 180 I N 2.919 123.439 120.570 -0.084 0.000 2.405 180 I HA 0.272 4.443 4.170 0.001 0.000 0.280 180 I C 0.683 176.735 176.117 -0.109 0.000 1.027 180 I CA -0.844 60.399 61.300 -0.096 0.000 1.161 180 I CB 0.529 38.434 38.000 -0.158 0.000 1.300 180 I HN 0.291 nan 8.210 nan 0.000 0.463 181 K N 5.548 125.914 120.400 -0.058 0.000 2.451 181 K HA 0.008 4.329 4.320 0.001 0.000 0.280 181 K C 0.153 176.716 176.600 -0.062 0.000 1.020 181 K CA 0.495 56.754 56.287 -0.046 0.000 1.008 181 K CB 0.555 33.042 32.500 -0.021 0.000 0.917 181 K HN 0.515 nan 8.250 nan 0.000 0.478 182 D N -0.301 120.049 120.400 -0.084 0.000 2.653 182 D HA -0.198 4.442 4.640 0.001 0.000 0.184 182 D C -0.468 175.723 176.300 -0.182 0.000 0.993 182 D CA 1.650 55.585 54.000 -0.109 0.000 1.027 182 D CB -1.049 39.730 40.800 -0.035 0.000 1.089 182 D HN 0.624 nan 8.370 nan 0.000 0.447 183 A N 0.748 123.433 122.820 -0.225 0.000 2.363 183 A HA 0.458 4.779 4.320 0.001 0.000 0.270 183 A C 0.180 177.519 177.584 -0.407 0.000 1.121 183 A CA -0.046 51.818 52.037 -0.289 0.000 0.800 183 A CB 0.564 19.236 19.000 -0.546 0.000 1.052 183 A HN 0.203 nan 8.150 nan 0.000 0.493 184 H N 0.605 119.569 119.070 -0.177 0.000 2.483 184 H HA 0.492 5.048 4.556 0.001 0.000 0.338 184 H C 0.761 176.004 175.328 -0.141 0.000 1.152 184 H CA 0.537 56.496 56.048 -0.149 0.000 1.264 184 H CB 1.832 31.535 29.762 -0.098 0.000 1.510 184 H HN 0.855 nan 8.280 nan 0.000 0.530 185 G N 1.188 109.990 108.800 0.002 0.000 2.462 185 G HA2 0.404 4.364 3.960 0.001 0.000 0.319 185 G HA3 0.404 4.364 3.960 0.001 0.000 0.319 185 G C 0.416 175.325 174.900 0.015 0.000 1.171 185 G CA -0.756 44.342 45.100 -0.004 0.000 0.920 185 G HN 0.636 nan 8.290 nan 0.000 0.499 186 M N 0.135 119.744 119.600 0.015 0.000 2.163 186 M HA 0.474 4.954 4.480 0.001 0.000 0.305 186 M C -0.317 175.923 176.300 -0.100 0.000 1.166 186 M CA -0.417 54.852 55.300 -0.052 0.000 1.132 186 M CB 0.834 33.420 32.600 -0.024 0.000 1.413 186 M HN 0.122 nan 8.290 nan 0.000 0.478 187 V N 3.105 122.886 119.914 -0.221 0.000 2.529 187 V HA 0.150 4.270 4.120 0.001 0.000 0.292 187 V C 0.414 176.503 176.094 -0.008 0.000 1.028 187 V CA -0.043 62.139 62.300 -0.195 0.000 1.074 187 V CB -0.134 31.407 31.823 -0.470 0.000 0.958 187 V HN 0.656 nan 8.190 nan 0.000 0.481 188 L N 4.606 125.829 121.223 0.001 0.000 2.334 188 L HA 0.388 4.728 4.340 0.001 0.000 0.272 188 L C 1.295 178.121 176.870 -0.072 0.000 1.020 188 L CA -0.750 54.046 54.840 -0.074 0.000 0.812 188 L CB 1.416 43.368 42.059 -0.178 0.000 1.264 188 L HN 0.513 nan 8.230 nan 0.000 0.439 189 L N 1.805 122.861 121.223 -0.278 0.000 2.129 189 L HA -0.223 4.118 4.340 0.001 0.000 0.212 189 L C 1.980 178.759 176.870 -0.152 0.000 1.087 189 L CA 2.291 56.985 54.840 -0.245 0.000 0.757 189 L CB -0.527 41.407 42.059 -0.208 0.000 0.896 189 L HN 0.928 nan 8.230 nan 0.000 0.434 190 D N -1.305 118.830 120.400 -0.442 0.000 2.310 190 D HA -0.212 4.428 4.640 0.001 0.000 0.212 190 D C 1.421 177.711 176.300 -0.016 0.000 0.965 190 D CA 0.762 54.668 54.000 -0.157 0.000 0.879 190 D CB -0.453 40.259 40.800 -0.148 0.000 0.921 190 D HN 0.325 nan 8.370 nan 0.000 0.510 191 D N 0.205 120.613 120.400 0.014 0.000 2.144 191 D HA -0.122 4.518 4.640 0.001 0.000 0.199 191 D C 1.785 178.098 176.300 0.022 0.000 0.984 191 D CA 0.655 54.654 54.000 -0.001 0.000 0.834 191 D CB -0.485 40.282 40.800 -0.056 0.000 0.955 191 D HN 0.251 nan 8.370 nan 0.000 0.465 192 F N 1.546 121.462 119.950 -0.056 0.000 2.102 192 F HA -0.083 4.444 4.527 0.000 0.000 0.298 192 F C 2.564 178.336 175.800 -0.046 0.000 1.105 192 F CA 0.877 58.862 58.000 -0.025 0.000 1.239 192 F CB -1.023 37.981 39.000 0.007 0.000 0.991 192 F HN -0.075 nan 8.300 nan 0.000 0.474 193 A N -0.311 122.608 122.820 0.164 0.000 1.902 193 A HA -0.158 4.162 4.320 0.001 0.000 0.217 193 A C 2.380 179.970 177.584 0.011 0.000 1.181 193 A CA 2.016 54.092 52.037 0.065 0.000 0.623 193 A CB -1.139 17.895 19.000 0.057 0.000 0.818 193 A HN 0.344 nan 8.150 nan 0.000 0.443 194 S N -0.099 115.601 115.700 -0.001 0.000 2.351 194 S HA -0.178 4.292 4.470 0.001 0.000 0.220 194 S C 1.878 176.435 174.600 -0.072 0.000 1.035 194 S CA 1.516 59.694 58.200 -0.036 0.000 1.031 194 S CB -0.880 62.294 63.200 -0.043 0.000 0.928 194 S HN 0.323 nan 8.310 nan 0.000 0.433 195 V N 2.039 121.897 119.914 -0.093 0.000 2.278 195 V HA -0.289 3.832 4.120 0.001 0.000 0.251 195 V C 2.719 178.718 176.094 -0.159 0.000 1.062 195 V CA 2.365 64.580 62.300 -0.141 0.000 1.038 195 V CB -0.813 30.910 31.823 -0.167 0.000 0.646 195 V HN 0.433 nan 8.190 nan 0.000 0.447 196 Q N 0.318 120.046 119.800 -0.120 0.000 2.079 196 Q HA -0.164 4.176 4.340 0.001 0.000 0.200 196 Q C 1.893 177.816 176.000 -0.128 0.000 0.974 196 Q CA 2.314 58.038 55.803 -0.132 0.000 0.840 196 Q CB -0.453 28.232 28.738 -0.087 0.000 0.898 196 Q HN 0.785 nan 8.270 nan 0.000 0.430 197 N N -0.583 118.062 118.700 -0.091 0.000 2.058 197 N HA -0.115 4.625 4.740 0.001 0.000 0.191 197 N C 1.730 177.183 175.510 -0.096 0.000 1.037 197 N CA 1.474 54.480 53.050 -0.074 0.000 0.848 197 N CB -0.164 38.295 38.487 -0.046 0.000 1.021 197 N HN 0.230 nan 8.380 nan 0.000 0.422 198 I N 0.657 121.160 120.570 -0.111 0.000 2.151 198 I HA -0.280 3.891 4.170 0.001 0.000 0.243 198 I C 1.842 177.852 176.117 -0.178 0.000 1.080 198 I CA 1.110 62.336 61.300 -0.123 0.000 1.339 198 I CB -0.242 37.683 38.000 -0.124 0.000 1.039 198 I HN 0.149 nan 8.210 nan 0.000 0.409 199 I N 0.912 121.314 120.570 -0.279 0.000 2.315 199 I HA -0.256 3.915 4.170 0.001 0.000 0.248 199 I C 2.049 177.999 176.117 -0.278 0.000 1.117 199 I CA 1.686 62.697 61.300 -0.481 0.000 1.404 199 I CB -0.715 36.824 38.000 -0.769 0.000 1.071 199 I HN 0.210 nan 8.210 nan 0.000 0.419 200 N N 0.037 118.632 118.700 -0.175 0.000 2.244 200 N HA -0.160 4.580 4.740 0.001 0.000 0.183 200 N C 1.370 176.853 175.510 -0.045 0.000 1.016 200 N CA 1.213 54.211 53.050 -0.086 0.000 0.866 200 N CB -0.190 38.254 38.487 -0.071 0.000 0.980 200 N HN 0.444 nan 8.380 nan 0.000 0.430 201 N N -0.365 118.303 118.700 -0.053 0.000 2.415 201 N HA 0.015 4.755 4.740 0.001 0.000 0.176 201 N C -0.081 175.422 175.510 -0.012 0.000 1.042 201 N CA -0.006 53.027 53.050 -0.029 0.000 0.902 201 N CB 0.340 38.807 38.487 -0.032 0.000 0.986 201 N HN -0.066 nan 8.380 nan 0.000 0.447 202 S N 1.201 116.894 115.700 -0.012 0.000 2.481 202 S HA -0.005 4.465 4.470 0.001 0.000 0.276 202 S C 1.241 175.890 174.600 0.082 0.000 1.247 202 S CA -0.609 57.611 58.200 0.034 0.000 1.053 202 S CB 0.434 63.664 63.200 0.051 0.000 0.925 202 S HN 0.219 nan 8.310 nan 0.000 0.491 203 E N 5.019 125.254 120.200 0.057 0.000 2.072 203 E HA -0.172 4.178 4.350 0.001 0.000 0.190 203 E C 1.140 177.770 176.600 0.050 0.000 0.982 203 E CA 1.227 57.654 56.400 0.045 0.000 0.803 203 E CB -0.433 29.281 29.700 0.023 0.000 0.755 203 E HN 0.842 nan 8.360 nan 0.000 0.453 204 E N 0.118 120.353 120.200 0.058 0.000 2.112 204 E HA -0.029 4.322 4.350 0.001 0.000 0.190 204 E C 1.832 178.451 176.600 0.032 0.000 0.979 204 E CA 0.608 57.028 56.400 0.034 0.000 0.814 204 E CB -0.319 29.397 29.700 0.026 0.000 0.762 204 E HN 0.163 nan 8.360 nan 0.000 0.460 205 F N 1.743 121.674 119.950 -0.033 0.000 2.069 205 F HA -0.230 4.298 4.527 0.001 0.000 0.298 205 F C 2.296 178.077 175.800 -0.032 0.000 1.113 205 F CA 1.548 59.526 58.000 -0.037 0.000 1.214 205 F CB -0.418 38.556 39.000 -0.043 0.000 0.978 205 F HN -0.013 nan 8.300 nan 0.000 0.474 206 A N 0.273 123.216 122.820 0.204 0.000 1.927 206 A HA -0.239 4.082 4.320 0.001 0.000 0.220 206 A C 2.378 179.963 177.584 0.002 0.000 1.185 206 A CA 2.325 54.428 52.037 0.110 0.000 0.639 206 A CB -1.646 17.406 19.000 0.087 0.000 0.820 206 A HN 0.534 nan 8.150 nan 0.000 0.451 207 A N -0.450 122.359 122.820 -0.020 0.000 1.873 207 A HA 0.199 4.520 4.320 0.001 0.000 0.215 207 A C 2.536 180.060 177.584 -0.100 0.000 1.186 207 A CA 2.093 54.102 52.037 -0.047 0.000 0.616 207 A CB -1.073 17.906 19.000 -0.034 0.000 0.823 207 A HN 1.150 nan 8.150 nan 0.000 0.442 208 A N -0.041 122.671 122.820 -0.179 0.000 1.902 208 A HA -0.028 4.292 4.320 0.001 0.000 0.217 208 A C 2.371 179.804 177.584 -0.251 0.000 1.181 208 A CA 2.278 54.163 52.037 -0.253 0.000 0.623 208 A CB -1.232 17.533 19.000 -0.392 0.000 0.818 208 A HN 1.232 nan 8.150 nan 0.000 0.443 209 V N -2.222 117.529 119.914 -0.272 0.000 2.453 209 V HA -0.118 4.002 4.120 0.001 0.000 0.247 209 V C 2.009 178.056 176.094 -0.078 0.000 1.048 209 V CA 2.489 64.690 62.300 -0.166 0.000 1.049 209 V CB -0.719 31.053 31.823 -0.085 0.000 0.672 209 V HN 0.305 nan 8.190 nan 0.000 0.457 210 K N 1.870 122.234 120.400 -0.059 0.000 2.211 210 K HA -0.022 4.298 4.320 0.001 0.000 0.203 210 K C 2.040 178.619 176.600 -0.035 0.000 1.050 210 K CA 1.779 58.047 56.287 -0.033 0.000 0.945 210 K CB -0.454 32.033 32.500 -0.021 0.000 0.732 210 K HN 0.834 nan 8.250 nan 0.000 0.451 211 K N -0.551 119.817 120.400 -0.052 0.000 2.459 211 K HA 0.064 4.385 4.320 0.001 0.000 0.193 211 K C 1.304 177.879 176.600 -0.042 0.000 1.030 211 K CA 0.649 56.909 56.287 -0.045 0.000 1.026 211 K CB 0.214 32.683 32.500 -0.052 0.000 0.809 211 K HN -0.105 nan 8.250 nan 0.000 0.504 212 R N 0.229 120.700 120.500 -0.048 0.000 2.427 212 R HA 0.112 4.452 4.340 0.001 0.000 0.262 212 R C 0.293 176.584 176.300 -0.014 0.000 0.943 212 R CA 0.427 56.505 56.100 -0.037 0.000 1.081 212 R CB 0.727 30.991 30.300 -0.061 0.000 1.166 212 R HN 0.515 nan 8.270 nan 0.000 0.534 213 G N 1.089 109.882 108.800 -0.010 0.000 2.143 213 G HA2 -0.257 3.703 3.960 0.001 0.000 0.249 213 G HA3 -0.257 3.703 3.960 0.001 0.000 0.249 213 G C -0.076 174.828 174.900 0.007 0.000 0.981 213 G CA -0.271 44.830 45.100 0.002 0.000 0.665 213 G HN 0.153 nan 8.290 nan 0.000 0.528 214 I N 2.223 122.794 120.570 0.002 0.000 2.322 214 I HA 0.334 4.504 4.170 0.001 0.000 0.292 214 I C 1.903 178.025 176.117 0.008 0.000 1.060 214 I CA 0.724 62.030 61.300 0.010 0.000 1.309 214 I CB 1.306 39.315 38.000 0.015 0.000 1.415 214 I HN 0.295 nan 8.210 nan 0.000 0.492 215 T N 0.787 115.347 114.554 0.010 0.000 2.851 215 T HA -0.038 4.312 4.350 0.001 0.000 0.262 215 T C 0.795 175.501 174.700 0.009 0.000 1.043 215 T CA 0.587 62.692 62.100 0.008 0.000 1.140 215 T CB -0.036 68.837 68.868 0.007 0.000 0.872 215 T HN 0.409 nan 8.240 nan 0.000 0.446 216 D N 1.116 121.523 120.400 0.011 0.000 2.427 216 D HA 0.608 5.248 4.640 0.001 0.000 0.226 216 D C 0.659 176.971 176.300 0.019 0.000 1.076 216 D CA -0.348 53.659 54.000 0.011 0.000 0.849 216 D CB 1.269 42.073 40.800 0.006 0.000 1.052 216 D HN 0.309 nan 8.370 nan 0.000 0.515 217 A N 3.857 126.692 122.820 0.024 0.000 2.235 217 A HA -0.030 4.290 4.320 0.001 0.000 0.208 217 A C 1.701 179.304 177.584 0.032 0.000 1.172 217 A CA 0.629 52.692 52.037 0.042 0.000 0.786 217 A CB 0.100 19.135 19.000 0.058 0.000 0.804 217 A HN 0.313 nan 8.150 nan 0.000 0.479 218 K N -0.076 120.333 120.400 0.014 0.000 2.365 218 K HA 0.098 4.419 4.320 0.001 0.000 0.197 218 K C 1.257 177.853 176.600 -0.008 0.000 1.042 218 K CA 0.614 56.901 56.287 -0.000 0.000 0.987 218 K CB 0.195 32.693 32.500 -0.003 0.000 0.779 218 K HN 0.066 nan 8.250 nan 0.000 0.484 219 K N 0.366 120.766 120.400 0.000 0.000 2.444 219 K HA 0.141 4.462 4.320 0.001 0.000 0.193 219 K C -0.277 176.324 176.600 0.002 0.000 1.024 219 K CA 0.074 56.359 56.287 -0.002 0.000 1.077 219 K CB 0.041 32.543 32.500 0.004 0.000 0.833 219 K HN -0.114 nan 8.250 nan 0.000 0.517 220 V N 2.394 122.312 119.914 0.007 0.000 2.461 220 V HA 0.240 4.361 4.120 0.001 0.000 0.275 220 V C 0.414 176.476 176.094 -0.053 0.000 1.047 220 V CA -0.464 61.847 62.300 0.018 0.000 0.955 220 V CB 0.956 32.827 31.823 0.081 0.000 0.988 220 V HN 0.014 nan 8.190 nan 0.000 0.471 221 I N 4.853 125.374 120.570 -0.082 0.000 2.378 221 I HA 0.426 4.596 4.170 0.001 0.000 0.291 221 I C 0.561 176.581 176.117 -0.162 0.000 0.992 221 I CA -0.213 60.943 61.300 -0.241 0.000 1.154 221 I CB 2.113 39.759 38.000 -0.590 0.000 1.315 221 I HN 0.731 nan 8.210 nan 0.000 0.448 222 T N 1.273 115.720 114.554 -0.179 0.000 2.944 222 T HA 0.726 5.077 4.350 0.001 0.000 0.284 222 T C -0.104 174.539 174.700 -0.095 0.000 1.010 222 T CA -0.651 61.378 62.100 -0.118 0.000 1.025 222 T CB 1.778 70.543 68.868 -0.173 0.000 1.079 222 T HN 0.632 nan 8.240 nan 0.000 0.516 223 T N -0.628 113.908 114.554 -0.029 0.000 2.886 223 T HA 0.645 4.996 4.350 0.001 0.000 0.292 223 T C -3.258 171.412 174.700 -0.049 0.000 1.012 223 T CA -1.996 60.108 62.100 0.007 0.000 0.982 223 T CB 1.710 70.658 68.868 0.132 0.000 1.018 223 T HN 0.514 nan 8.240 nan 0.000 0.451 224 P HA 0.498 nan 4.420 nan 0.000 0.291 224 P C -0.955 176.341 177.300 -0.007 0.000 1.340 224 P CA -0.596 62.369 63.100 -0.224 0.000 0.799 224 P CB 0.548 31.894 31.700 -0.591 0.000 0.917 225 L N 2.943 124.223 121.223 0.095 0.000 2.341 225 L HA 0.492 4.833 4.340 0.001 0.000 0.278 225 L C 0.882 177.886 176.870 0.222 0.000 1.005 225 L CA -0.877 54.155 54.840 0.320 0.000 0.818 225 L CB 1.790 44.103 42.059 0.423 0.000 1.259 225 L HN 0.252 nan 8.230 nan 0.000 0.418 226 T N -1.234 113.522 114.554 0.336 0.000 2.932 226 T HA 0.129 4.479 4.350 0.001 0.000 0.312 226 T C 1.086 175.863 174.700 0.129 0.000 1.071 226 T CA -0.424 61.769 62.100 0.155 0.000 1.128 226 T CB 1.443 70.422 68.868 0.186 0.000 0.984 226 T HN 0.542 nan 8.240 nan 0.000 0.549 227 V N -0.668 119.254 119.914 0.013 0.000 3.644 227 V HA 0.535 4.655 4.120 0.001 0.000 0.267 227 V C 1.343 177.519 176.094 0.137 0.000 1.277 227 V CA 0.672 62.962 62.300 -0.017 0.000 1.096 227 V CB -1.487 30.239 31.823 -0.162 0.000 0.828 227 V HN 1.612 nan 8.190 nan 0.000 0.446 228 G N 0.470 109.318 108.800 0.081 0.000 2.539 228 G HA2 -0.276 3.684 3.960 0.001 0.000 0.256 228 G HA3 -0.276 3.684 3.960 0.001 0.000 0.256 228 G C -0.566 174.368 174.900 0.056 0.000 1.233 228 G CA 0.573 45.696 45.100 0.038 0.000 0.936 228 G HN 1.589 nan 8.290 nan 0.000 0.571 229 Y N -0.790 119.337 120.300 -0.288 0.000 2.348 229 Y HA 0.606 5.156 4.550 0.001 0.000 0.321 229 Y C -0.546 174.897 175.900 -0.761 0.000 1.163 229 Y CA -1.105 56.777 58.100 -0.363 0.000 1.070 229 Y CB 0.896 39.158 38.460 -0.330 0.000 1.250 229 Y HN 0.504 nan 8.280 nan 0.000 0.425 230 F N 3.763 123.042 119.950 -1.118 0.000 2.735 230 F HA 0.238 4.765 4.527 0.001 0.000 0.304 230 F C 0.628 175.543 175.800 -1.476 0.000 1.119 230 F CA -0.344 56.986 58.000 -1.117 0.000 1.280 230 F CB 0.410 39.151 39.000 -0.431 0.000 0.994 230 F HN 0.635 nan 8.300 nan 0.000 0.520 231 D N 0.840 119.910 120.400 -2.215 0.000 2.772 231 D HA -0.186 4.455 4.640 0.001 0.000 0.233 231 D C 1.409 177.378 176.300 -0.552 0.000 1.143 231 D CA 1.213 54.475 54.000 -1.231 0.000 0.700 231 D CB -0.960 39.436 40.800 -0.673 0.000 1.076 231 D HN 0.684 nan 8.370 nan 0.000 0.430 232 G N -0.420 108.061 108.800 -0.532 0.000 2.245 232 G HA2 -0.455 3.505 3.960 0.001 0.000 0.264 232 G HA3 -0.455 3.505 3.960 0.001 0.000 0.264 232 G C 1.221 176.012 174.900 -0.182 0.000 0.985 232 G CA 0.749 45.706 45.100 -0.238 0.000 0.625 232 G HN 0.526 nan 8.290 nan 0.000 0.536 233 K N 0.659 120.943 120.400 -0.194 0.000 2.218 233 K HA -0.145 4.175 4.320 0.001 0.000 0.205 233 K C 2.078 178.572 176.600 -0.177 0.000 1.046 233 K CA 1.764 57.968 56.287 -0.138 0.000 0.933 233 K CB -0.197 32.252 32.500 -0.085 0.000 0.728 233 K HN 0.731 nan 8.250 nan 0.000 0.454 234 D N -0.932 119.361 120.400 -0.179 0.000 2.317 234 D HA -0.033 4.608 4.640 0.001 0.000 0.211 234 D C 1.109 177.342 176.300 -0.112 0.000 0.966 234 D CA 0.931 54.832 54.000 -0.166 0.000 0.876 234 D CB -0.187 40.543 40.800 -0.116 0.000 0.927 234 D HN 0.228 nan 8.370 nan 0.000 0.519 235 G N 0.087 108.822 108.800 -0.109 0.000 2.149 235 G HA2 -0.210 3.750 3.960 0.001 0.000 0.235 235 G HA3 -0.210 3.750 3.960 0.001 0.000 0.235 235 G C -0.248 174.606 174.900 -0.076 0.000 1.018 235 G CA 0.197 45.246 45.100 -0.085 0.000 0.728 235 G HN 0.395 nan 8.290 nan 0.000 0.508 236 L N 0.292 121.466 121.223 -0.082 0.000 2.341 236 L HA 0.483 4.824 4.340 0.001 0.000 0.278 236 L C 0.685 177.529 176.870 -0.043 0.000 1.005 236 L CA -1.302 53.498 54.840 -0.067 0.000 0.818 236 L CB 1.686 43.699 42.059 -0.078 0.000 1.259 236 L HN 0.241 nan 8.230 nan 0.000 0.418 237 K N 1.655 122.039 120.400 -0.027 0.000 2.419 237 K HA 0.008 4.328 4.320 0.001 0.000 0.282 237 K C 0.535 177.155 176.600 0.032 0.000 1.056 237 K CA -0.353 55.936 56.287 0.002 0.000 1.035 237 K CB 0.862 33.361 32.500 -0.002 0.000 0.921 237 K HN 0.445 nan 8.250 nan 0.000 0.472 238 Q N 2.543 122.391 119.800 0.080 0.000 2.291 238 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 238 Q C 1.257 177.365 176.000 0.180 0.000 0.976 238 Q CA 1.825 57.713 55.803 0.142 0.000 0.875 238 Q CB -0.101 28.748 28.738 0.184 0.000 0.927 238 Q HN 0.825 nan 8.270 nan 0.000 0.450 239 D N -0.565 119.905 120.400 0.117 0.000 2.097 239 D HA -0.063 4.577 4.640 0.001 0.000 0.197 239 D C 0.013 176.381 176.300 0.114 0.000 0.984 239 D CA 0.887 54.941 54.000 0.090 0.000 0.826 239 D CB -0.062 40.762 40.800 0.039 0.000 0.973 239 D HN 0.333 nan 8.370 nan 0.000 0.460 240 A N 0.790 123.652 122.820 0.071 0.000 2.483 240 A HA 0.113 4.433 4.320 0.001 0.000 0.238 240 A C 0.520 178.145 177.584 0.070 0.000 1.070 240 A CA -0.081 51.979 52.037 0.037 0.000 0.770 240 A CB 0.187 19.178 19.000 -0.015 0.000 1.008 240 A HN 0.320 nan 8.150 nan 0.000 0.497 241 R N 2.603 123.120 120.500 0.029 0.000 2.296 241 R HA 0.498 4.839 4.340 0.001 0.000 0.327 241 R C -1.233 175.015 176.300 -0.085 0.000 1.137 241 R CA -0.086 56.012 56.100 -0.003 0.000 1.020 241 R CB -0.308 29.991 30.300 -0.002 0.000 1.110 241 R HN 0.656 nan 8.270 nan 0.000 0.499 242 L N 4.763 125.900 121.223 -0.143 0.000 2.319 242 L HA 0.632 4.973 4.340 0.001 0.000 0.267 242 L C -0.512 176.263 176.870 -0.158 0.000 1.011 242 L CA -1.300 53.453 54.840 -0.144 0.000 0.818 242 L CB 1.933 43.906 42.059 -0.143 0.000 1.316 242 L HN 0.504 nan 8.230 nan 0.000 0.432 243 L N 1.335 122.466 121.223 -0.154 0.000 2.455 243 L HA 0.481 4.821 4.340 0.001 0.000 0.264 243 L C -0.660 176.102 176.870 -0.180 0.000 0.968 243 L CA -0.700 54.049 54.840 -0.152 0.000 0.827 243 L CB 2.896 44.865 42.059 -0.150 0.000 1.317 243 L HN 0.551 nan 8.230 nan 0.000 0.407 244 K N 1.062 121.338 120.400 -0.207 0.000 2.087 244 K HA 0.697 5.018 4.320 0.001 0.000 0.255 244 K C -1.168 175.342 176.600 -0.149 0.000 0.988 244 K CA -0.576 55.535 56.287 -0.294 0.000 0.915 244 K CB 2.017 34.100 32.500 -0.695 0.000 1.043 244 K HN 0.247 nan 8.250 nan 0.000 0.457 245 V N 4.089 123.927 119.914 -0.127 0.000 2.483 245 V HA 0.345 4.465 4.120 0.001 0.000 0.297 245 V C -0.609 175.468 176.094 -0.029 0.000 1.027 245 V CA -0.937 61.316 62.300 -0.077 0.000 0.855 245 V CB 1.411 33.155 31.823 -0.132 0.000 0.995 245 V HN 0.591 nan 8.190 nan 0.000 0.424 246 I N 3.389 123.946 120.570 -0.022 0.000 2.412 246 I HA 0.600 4.771 4.170 0.001 0.000 0.296 246 I C 0.319 176.364 176.117 -0.121 0.000 0.987 246 I CA 0.134 61.380 61.300 -0.090 0.000 1.180 246 I CB 1.962 39.886 38.000 -0.126 0.000 1.340 246 I HN 0.614 nan 8.210 nan 0.000 0.455 247 S N 5.598 121.161 115.700 -0.228 0.000 2.566 247 S HA 0.776 5.246 4.470 0.001 0.000 0.298 247 S C -1.145 173.183 174.600 -0.453 0.000 1.083 247 S CA -0.549 57.544 58.200 -0.177 0.000 0.978 247 S CB 1.993 65.228 63.200 0.057 0.000 1.073 247 S HN 0.349 nan 8.310 nan 0.000 0.491 248 Y N 0.417 120.723 120.300 0.011 0.000 2.576 248 Y HA 0.672 5.222 4.550 0.001 0.000 0.346 248 Y C -0.610 175.333 175.900 0.071 0.000 1.018 248 Y CA -1.140 57.012 58.100 0.087 0.000 1.050 248 Y CB 1.051 39.616 38.460 0.174 0.000 1.280 248 Y HN 0.499 nan 8.280 nan 0.000 0.474 249 L N 2.383 123.790 121.223 0.307 0.000 2.296 249 L HA 0.428 4.768 4.340 0.001 0.000 0.286 249 L C -0.615 176.357 176.870 0.170 0.000 1.023 249 L CA -0.419 54.529 54.840 0.179 0.000 0.812 249 L CB 0.885 43.021 42.059 0.129 0.000 1.223 249 L HN 0.580 nan 8.230 nan 0.000 0.421 250 D N 3.685 124.134 120.400 0.082 0.000 2.344 250 D HA 0.079 4.720 4.640 0.001 0.000 0.253 250 D C 0.676 176.952 176.300 -0.039 0.000 1.255 250 D CA 0.070 54.103 54.000 0.055 0.000 0.894 250 D CB 1.172 41.985 40.800 0.021 0.000 1.067 250 D HN 0.433 nan 8.370 nan 0.000 0.492 251 V N 1.631 121.456 119.914 -0.149 0.000 3.376 251 V HA 0.404 4.524 4.120 0.001 0.000 0.313 251 V C 1.243 177.281 176.094 -0.093 0.000 1.393 251 V CA 0.418 62.601 62.300 -0.196 0.000 1.125 251 V CB -0.098 31.478 31.823 -0.412 0.000 1.037 251 V HN 0.660 nan 8.190 nan 0.000 0.440 252 G N 2.200 110.977 108.800 -0.037 0.000 2.143 252 G HA2 -0.308 3.652 3.960 0.001 0.000 0.248 252 G HA3 -0.308 3.652 3.960 0.001 0.000 0.248 252 G C 0.321 175.216 174.900 -0.007 0.000 0.991 252 G CA 0.618 45.711 45.100 -0.011 0.000 0.689 252 G HN 0.867 nan 8.290 nan 0.000 0.522 253 D N -0.143 120.265 120.400 0.013 0.000 2.328 253 D HA 0.348 4.989 4.640 0.001 0.000 0.226 253 D C 1.791 178.061 176.300 -0.049 0.000 1.066 253 D CA 0.473 54.479 54.000 0.010 0.000 0.861 253 D CB -0.676 40.179 40.800 0.093 0.000 0.912 253 D HN 1.542 nan 8.370 nan 0.000 0.521 254 G N 0.680 109.465 108.800 -0.025 0.000 2.155 254 G HA2 -0.338 3.622 3.960 0.001 0.000 0.257 254 G HA3 -0.338 3.622 3.960 0.001 0.000 0.257 254 G C 0.070 174.956 174.900 -0.024 0.000 0.983 254 G CA 0.265 45.327 45.100 -0.063 0.000 0.676 254 G HN 0.623 nan 8.290 nan 0.000 0.528 255 N N -0.247 118.514 118.700 0.102 0.000 2.716 255 N HA 0.455 5.196 4.740 0.001 0.000 0.253 255 N C 0.863 176.528 175.510 0.259 0.000 1.170 255 N CA -0.618 52.560 53.050 0.213 0.000 0.807 255 N CB 0.242 38.862 38.487 0.223 0.000 1.183 255 N HN 0.322 nan 8.380 nan 0.000 0.524 256 Y N 0.620 121.020 120.300 0.166 0.000 2.314 256 Y HA 0.165 4.715 4.550 0.001 0.000 0.293 256 Y C 1.144 177.068 175.900 0.039 0.000 1.129 256 Y CA 0.332 58.499 58.100 0.112 0.000 1.201 256 Y CB -0.640 37.756 38.460 -0.107 0.000 0.999 256 Y HN 0.352 nan 8.280 nan 0.000 0.541 257 W N 1.447 122.445 121.300 -0.502 0.000 2.359 257 W HA -0.123 4.538 4.660 0.001 0.000 0.275 257 W C 2.268 178.860 176.519 0.121 0.000 1.217 257 W CA 1.576 58.658 57.345 -0.438 0.000 1.196 257 W CB -0.270 28.921 29.460 -0.449 0.000 1.129 257 W HN 0.231 nan 8.180 nan 0.000 0.566 258 A N -1.040 121.941 122.820 0.269 0.000 2.251 258 A HA 0.048 4.369 4.320 0.001 0.000 0.209 258 A C 0.243 177.638 177.584 -0.315 0.000 1.187 258 A CA 0.384 52.494 52.037 0.121 0.000 0.823 258 A CB -0.527 18.383 19.000 -0.150 0.000 0.846 258 A HN 0.342 nan 8.150 nan 0.000 0.486 259 H N 0.391 119.726 119.070 0.442 0.000 2.379 259 H HA 0.228 4.785 4.556 0.001 0.000 0.229 259 H C -3.035 172.514 175.328 0.368 0.000 1.423 259 H CA -1.776 54.480 56.048 0.347 0.000 1.375 259 H CB 0.291 30.215 29.762 0.269 0.000 1.592 259 H HN 0.319 nan 8.280 nan 0.000 0.507 260 P HA 0.171 nan 4.420 nan 0.000 0.275 260 P C 0.295 177.622 177.300 0.045 0.000 1.228 260 P CA -0.304 62.868 63.100 0.119 0.000 0.786 260 P CB 1.681 33.474 31.700 0.154 0.000 0.927 261 I N 1.707 122.222 120.570 -0.092 0.000 2.377 261 I HA 0.225 4.395 4.170 0.001 0.000 0.282 261 I C 0.827 176.904 176.117 -0.067 0.000 1.091 261 I CA -0.627 60.645 61.300 -0.048 0.000 1.207 261 I CB 0.257 38.227 38.000 -0.049 0.000 1.429 261 I HN 0.243 nan 8.210 nan 0.000 0.491 262 E N 4.740 124.938 120.200 -0.003 0.000 2.373 262 E HA 0.114 4.465 4.350 0.001 0.000 0.267 262 E C 0.093 176.705 176.600 0.021 0.000 1.032 262 E CA 0.437 56.858 56.400 0.035 0.000 0.889 262 E CB 0.268 30.028 29.700 0.101 0.000 0.984 262 E HN 0.514 nan 8.360 nan 0.000 0.425 263 N N 1.225 119.948 118.700 0.038 0.000 2.815 263 N HA -0.240 4.501 4.740 0.001 0.000 0.248 263 N C -1.354 174.145 175.510 -0.017 0.000 1.110 263 N CA 0.187 53.257 53.050 0.033 0.000 0.699 263 N CB -0.918 37.592 38.487 0.039 0.000 1.040 263 N HN 0.199 nan 8.380 nan 0.000 0.555 264 L N 0.594 121.791 121.223 -0.044 0.000 2.446 264 L HA 0.634 4.975 4.340 0.001 0.000 0.268 264 L C -1.134 175.715 176.870 -0.035 0.000 0.975 264 L CA -0.800 53.993 54.840 -0.079 0.000 0.848 264 L CB 1.859 43.827 42.059 -0.151 0.000 1.225 264 L HN -0.109 nan 8.230 nan 0.000 0.410 265 V N 3.484 123.388 119.914 -0.017 0.000 2.656 265 V HA 0.977 5.098 4.120 0.001 0.000 0.307 265 V C -0.077 176.038 176.094 0.035 0.000 1.051 265 V CA -0.371 61.926 62.300 -0.005 0.000 0.893 265 V CB 1.496 33.291 31.823 -0.046 0.000 0.999 265 V HN 0.914 nan 8.190 nan 0.000 0.426 266 A N 3.316 126.170 122.820 0.056 0.000 2.386 266 A HA 0.918 5.239 4.320 0.001 0.000 0.311 266 A C -1.015 176.526 177.584 -0.072 0.000 1.068 266 A CA -0.644 51.435 52.037 0.070 0.000 0.743 266 A CB 1.941 21.056 19.000 0.192 0.000 1.258 266 A HN 0.721 nan 8.150 nan 0.000 0.429 267 V N 2.111 121.972 119.914 -0.088 0.000 2.417 267 V HA 0.504 4.624 4.120 0.001 0.000 0.291 267 V C -0.334 175.693 176.094 -0.110 0.000 1.024 267 V CA -0.485 61.733 62.300 -0.137 0.000 0.861 267 V CB 1.382 33.120 31.823 -0.141 0.000 0.985 267 V HN 0.648 nan 8.190 nan 0.000 0.436 268 V N 3.435 123.274 119.914 -0.125 0.000 2.555 268 V HA 0.409 4.530 4.120 0.001 0.000 0.302 268 V C -0.315 175.718 176.094 -0.102 0.000 1.038 268 V CA -0.589 61.644 62.300 -0.111 0.000 0.887 268 V CB 2.051 33.797 31.823 -0.128 0.000 0.991 268 V HN 0.891 nan 8.190 nan 0.000 0.434 269 D N 3.880 124.231 120.400 -0.083 0.000 2.396 269 D HA 0.272 4.913 4.640 0.001 0.000 0.225 269 D C 0.857 177.114 176.300 -0.071 0.000 1.121 269 D CA -0.157 53.800 54.000 -0.072 0.000 0.853 269 D CB 1.597 42.363 40.800 -0.057 0.000 1.043 269 D HN 0.439 nan 8.370 nan 0.000 0.500 270 L N 2.961 124.138 121.223 -0.077 0.000 2.201 270 L HA -0.118 4.223 4.340 0.001 0.000 0.212 270 L C 2.109 178.943 176.870 -0.060 0.000 1.105 270 L CA 0.705 55.501 54.840 -0.074 0.000 0.775 270 L CB -0.003 42.006 42.059 -0.083 0.000 0.913 270 L HN 0.357 nan 8.230 nan 0.000 0.440 271 E N 0.273 120.438 120.200 -0.058 0.000 2.072 271 E HA -0.194 4.157 4.350 0.001 0.000 0.190 271 E C 2.105 178.681 176.600 -0.040 0.000 0.982 271 E CA 1.333 57.702 56.400 -0.051 0.000 0.803 271 E CB 0.057 29.724 29.700 -0.055 0.000 0.755 271 E HN 0.431 nan 8.360 nan 0.000 0.453 272 Q N -0.185 119.591 119.800 -0.040 0.000 2.398 272 Q HA 0.064 4.404 4.340 0.001 0.000 0.204 272 Q C -0.159 175.819 176.000 -0.036 0.000 0.932 272 Q CA 0.221 56.004 55.803 -0.034 0.000 0.916 272 Q CB 0.404 29.122 28.738 -0.034 0.000 1.024 272 Q HN 0.024 nan 8.270 nan 0.000 0.504 273 K N 1.121 121.495 120.400 -0.044 0.000 3.096 273 K HA -0.188 4.132 4.320 0.001 0.000 0.266 273 K C -0.674 175.897 176.600 -0.049 0.000 1.043 273 K CA 1.137 57.397 56.287 -0.046 0.000 0.758 273 K CB -1.719 30.759 32.500 -0.036 0.000 1.260 273 K HN 0.482 nan 8.250 nan 0.000 0.481 274 K N -1.440 118.928 120.400 -0.053 0.000 2.556 274 K HA 0.508 4.828 4.320 0.001 0.000 0.274 274 K C -0.341 176.225 176.600 -0.057 0.000 0.966 274 K CA -1.079 55.178 56.287 -0.050 0.000 0.865 274 K CB 1.310 33.788 32.500 -0.036 0.000 1.444 274 K HN -0.010 nan 8.250 nan 0.000 0.433 275 I N 3.722 124.263 120.570 -0.048 0.000 2.311 275 I HA -0.018 4.152 4.170 0.001 0.000 0.297 275 I C 1.328 177.429 176.117 -0.028 0.000 1.131 275 I CA -0.499 60.778 61.300 -0.038 0.000 1.289 275 I CB 1.096 39.093 38.000 -0.005 0.000 1.446 275 I HN 0.626 nan 8.210 nan 0.000 0.524 276 V N 3.202 123.091 119.914 -0.041 0.000 3.461 276 V HA 0.175 4.296 4.120 0.001 0.000 0.267 276 V C 0.616 176.687 176.094 -0.038 0.000 1.186 276 V CA 0.773 63.050 62.300 -0.040 0.000 1.154 276 V CB -0.591 31.203 31.823 -0.049 0.000 0.802 276 V HN 0.815 nan 8.190 nan 0.000 0.474 277 K N -0.062 120.318 120.400 -0.034 0.000 2.636 277 K HA 0.512 4.832 4.320 0.001 0.000 0.268 277 K C -2.044 174.545 176.600 -0.018 0.000 0.958 277 K CA -0.695 55.573 56.287 -0.033 0.000 0.875 277 K CB 1.873 34.341 32.500 -0.053 0.000 1.382 277 K HN 0.235 nan 8.250 nan 0.000 0.405 278 I N 3.301 123.863 120.570 -0.013 0.000 2.447 278 I HA 0.265 4.436 4.170 0.001 0.000 0.287 278 I C -0.641 175.457 176.117 -0.031 0.000 1.023 278 I CA -0.670 60.628 61.300 -0.004 0.000 1.083 278 I CB 2.014 40.016 38.000 0.004 0.000 1.245 278 I HN 0.479 nan 8.210 nan 0.000 0.434 279 E N 6.518 126.698 120.200 -0.034 0.000 2.134 279 E HA 0.377 4.727 4.350 0.001 0.000 0.278 279 E C -0.928 175.650 176.600 -0.036 0.000 0.959 279 E CA -0.527 55.856 56.400 -0.029 0.000 0.783 279 E CB 1.699 31.389 29.700 -0.016 0.000 1.095 279 E HN 0.485 nan 8.360 nan 0.000 0.399 280 E N 1.676 121.852 120.200 -0.039 0.000 2.187 280 E HA 0.485 4.836 4.350 0.001 0.000 0.268 280 E C -0.347 176.240 176.600 -0.023 0.000 0.896 280 E CA -0.643 55.727 56.400 -0.049 0.000 0.766 280 E CB 2.180 31.838 29.700 -0.069 0.000 1.142 280 E HN 0.579 nan 8.360 nan 0.000 0.408 281 G N 2.334 111.126 108.800 -0.013 0.000 3.175 281 G HA2 0.536 4.496 3.960 0.001 0.000 0.255 281 G HA3 0.536 4.496 3.960 0.001 0.000 0.255 281 G C -2.617 172.284 174.900 0.001 0.000 1.352 281 G CA -1.254 43.850 45.100 0.007 0.000 1.037 281 G HN 0.269 nan 8.290 nan 0.000 0.556 282 P HA 0.178 nan 4.420 nan 0.000 0.266 282 P C -0.281 177.025 177.300 0.009 0.000 1.193 282 P CA -0.213 62.893 63.100 0.010 0.000 0.770 282 P CB 0.781 32.493 31.700 0.020 0.000 0.836 283 V N 3.594 123.509 119.914 0.002 0.000 2.432 283 V HA 0.140 4.260 4.120 0.001 0.000 0.271 283 V C 0.340 176.442 176.094 0.014 0.000 1.046 283 V CA -0.191 62.109 62.300 0.000 0.000 0.945 283 V CB 1.279 33.096 31.823 -0.009 0.000 0.992 283 V HN 0.221 nan 8.190 nan 0.000 0.471 284 V N 7.670 127.597 119.914 0.021 0.000 2.407 284 V HA 0.366 4.486 4.120 0.001 0.000 0.291 284 V C -2.267 173.850 176.094 0.039 0.000 1.018 284 V CA -2.034 60.286 62.300 0.034 0.000 0.842 284 V CB 1.650 33.502 31.823 0.049 0.000 0.996 284 V HN 0.745 nan 8.190 nan 0.000 0.426 285 P HA 0.052 nan 4.420 nan 0.000 0.262 285 P C -0.191 177.154 177.300 0.074 0.000 1.182 285 P CA 0.062 63.192 63.100 0.050 0.000 0.761 285 P CB 0.313 32.041 31.700 0.047 0.000 0.795 286 V N 6.401 126.366 119.914 0.085 0.000 2.540 286 V HA 0.044 4.165 4.120 0.001 0.000 0.297 286 V C -1.840 174.353 176.094 0.165 0.000 1.024 286 V CA -1.026 61.351 62.300 0.129 0.000 1.105 286 V CB -0.254 31.649 31.823 0.135 0.000 0.938 286 V HN 0.556 nan 8.190 nan 0.000 0.482 287 P HA 0.198 nan 4.420 nan 0.000 0.270 287 P C 0.478 178.005 177.300 0.378 0.000 1.242 287 P CA -0.017 63.220 63.100 0.228 0.000 0.768 287 P CB 0.497 32.309 31.700 0.188 0.000 0.820 288 M N 0.180 119.962 119.600 0.304 0.000 2.516 288 M HA 0.045 4.525 4.480 0.001 0.000 0.259 288 M C 0.442 176.917 176.300 0.292 0.000 1.146 288 M CA 0.696 56.160 55.300 0.275 0.000 1.122 288 M CB -0.917 31.766 32.600 0.138 0.000 1.341 288 M HN 0.164 nan 8.290 nan 0.000 0.478 289 T N 2.562 117.295 114.554 0.298 0.000 2.905 289 T HA 0.218 4.568 4.350 0.001 0.000 0.299 289 T C 0.436 175.356 174.700 0.367 0.000 1.024 289 T CA -0.164 62.095 62.100 0.265 0.000 1.151 289 T CB 0.404 69.410 68.868 0.230 0.000 0.987 289 T HN 0.357 nan 8.240 nan 0.000 0.535 290 A N 4.593 127.554 122.820 0.235 0.000 2.491 290 A HA 0.293 4.613 4.320 0.001 0.000 0.261 290 A C 0.812 178.499 177.584 0.171 0.000 1.101 290 A CA -0.209 51.954 52.037 0.210 0.000 0.772 290 A CB 0.133 19.192 19.000 0.099 0.000 1.043 290 A HN 0.718 nan 8.150 nan 0.000 0.501 291 R N 3.347 123.949 120.500 0.170 0.000 2.835 291 R HA 0.240 4.580 4.340 0.001 0.000 0.290 291 R C -2.983 173.296 176.300 -0.035 0.000 1.410 291 R CA -1.518 54.597 56.100 0.025 0.000 1.590 291 R CB 0.915 31.191 30.300 -0.041 0.000 1.288 291 R HN 0.549 nan 8.270 nan 0.000 0.637 292 P HA 0.035 nan 4.420 nan 0.000 0.271 292 P C 0.116 177.333 177.300 -0.138 0.000 1.218 292 P CA -0.066 62.941 63.100 -0.154 0.000 0.780 292 P CB 0.340 31.949 31.700 -0.151 0.000 0.901 293 F N 0.062 119.936 119.950 -0.127 0.000 2.682 293 F HA 0.251 4.778 4.527 0.001 0.000 0.308 293 F C 1.029 176.770 175.800 -0.098 0.000 1.093 293 F CA -0.375 57.535 58.000 -0.150 0.000 1.244 293 F CB -0.672 38.209 39.000 -0.199 0.000 1.052 293 F HN 0.115 nan 8.300 nan 0.000 0.573 294 D N 0.327 120.482 120.400 -0.407 0.000 2.340 294 D HA 0.162 4.802 4.640 0.001 0.000 0.220 294 D C 1.864 178.099 176.300 -0.108 0.000 1.039 294 D CA 0.629 54.486 54.000 -0.238 0.000 0.866 294 D CB -0.097 40.485 40.800 -0.363 0.000 0.913 294 D HN 0.471 nan 8.370 nan 0.000 0.523 295 G N 1.950 110.701 108.800 -0.082 0.000 2.179 295 G HA2 -0.448 3.512 3.960 0.001 0.000 0.260 295 G HA3 -0.448 3.512 3.960 0.001 0.000 0.260 295 G C 1.227 176.096 174.900 -0.051 0.000 0.977 295 G CA 0.549 45.621 45.100 -0.047 0.000 0.641 295 G HN 0.599 nan 8.290 nan 0.000 0.533 296 R N 0.553 121.008 120.500 -0.075 0.000 2.211 296 R HA -0.094 4.247 4.340 0.001 0.000 0.240 296 R C 1.448 177.724 176.300 -0.040 0.000 1.144 296 R CA 2.105 58.169 56.100 -0.061 0.000 0.992 296 R CB -0.401 29.851 30.300 -0.079 0.000 0.869 296 R HN 0.456 nan 8.270 nan 0.000 0.462 297 D N -0.455 119.923 120.400 -0.036 0.000 2.440 297 D HA 0.089 4.729 4.640 0.001 0.000 0.216 297 D C -0.137 176.155 176.300 -0.013 0.000 1.150 297 D CA -0.322 53.666 54.000 -0.020 0.000 0.832 297 D CB 0.220 41.011 40.800 -0.015 0.000 0.992 297 D HN 0.011 nan 8.370 nan 0.000 0.502 298 R N 0.174 120.664 120.500 -0.016 0.000 2.828 298 R HA 0.559 4.900 4.340 0.001 0.000 0.264 298 R C -0.421 175.875 176.300 -0.006 0.000 1.022 298 R CA -1.067 55.028 56.100 -0.009 0.000 1.021 298 R CB 1.575 31.869 30.300 -0.010 0.000 1.163 298 R HN -0.130 nan 8.270 nan 0.000 0.494 299 V N 1.472 121.385 119.914 -0.002 0.000 2.461 299 V HA 0.338 4.459 4.120 0.001 0.000 0.275 299 V C 0.307 176.401 176.094 -0.000 0.000 1.047 299 V CA -0.654 61.646 62.300 0.000 0.000 0.955 299 V CB 1.243 33.068 31.823 0.003 0.000 0.988 299 V HN 0.818 nan 8.190 nan 0.000 0.471 300 A N 7.865 130.685 122.820 -0.000 0.000 2.294 300 A HA 0.707 5.028 4.320 0.001 0.000 0.316 300 A C -1.599 175.986 177.584 0.002 0.000 1.359 300 A CA -1.216 50.822 52.037 0.000 0.000 0.956 300 A CB -0.164 18.835 19.000 -0.001 0.000 1.155 300 A HN 0.742 nan 8.150 nan 0.000 0.544 301 P HA 0.439 nan 4.420 nan 0.000 0.271 301 P C -0.315 176.987 177.300 0.004 0.000 1.218 301 P CA -0.104 62.999 63.100 0.004 0.000 0.780 301 P CB 1.198 32.901 31.700 0.005 0.000 0.901 302 A N 2.276 125.099 122.820 0.005 0.000 2.290 302 A HA 0.564 4.884 4.320 0.001 0.000 0.310 302 A C -0.306 177.281 177.584 0.005 0.000 1.202 302 A CA -0.512 51.529 52.037 0.005 0.000 0.837 302 A CB 0.627 19.631 19.000 0.006 0.000 1.139 302 A HN 0.393 nan 8.150 nan 0.000 0.509 303 V N 2.748 122.665 119.914 0.005 0.000 2.914 303 V HA 0.322 4.442 4.120 0.001 0.000 0.314 303 V C -0.044 176.053 176.094 0.005 0.000 1.084 303 V CA -0.938 61.365 62.300 0.005 0.000 0.963 303 V CB 2.279 34.105 31.823 0.005 0.000 1.025 303 V HN 0.959 nan 8.190 nan 0.000 0.432 304 K N 3.841 124.243 120.400 0.004 0.000 2.270 304 K HA 0.358 4.678 4.320 0.001 0.000 0.276 304 K C -2.226 174.378 176.600 0.006 0.000 1.023 304 K CA -1.198 55.091 56.287 0.003 0.000 0.955 304 K CB 0.476 32.976 32.500 -0.000 0.000 0.975 304 K HN 0.483 nan 8.250 nan 0.000 0.471 305 P HA -0.026 nan 4.420 nan 0.000 0.267 305 P C -0.797 176.510 177.300 0.011 0.000 1.200 305 P CA 0.202 63.310 63.100 0.013 0.000 0.772 305 P CB 0.588 32.299 31.700 0.018 0.000 0.855 306 M N 1.948 121.556 119.600 0.014 0.000 2.238 306 M HA 0.254 4.734 4.480 0.001 0.000 0.278 306 M C -1.850 174.463 176.300 0.021 0.000 1.040 306 M CA -0.284 55.023 55.300 0.012 0.000 0.969 306 M CB 2.080 34.684 32.600 0.005 0.000 1.694 306 M HN 0.352 nan 8.290 nan 0.000 0.472 307 Q N 4.469 124.287 119.800 0.030 0.000 2.389 307 Q HA 0.638 4.978 4.340 0.001 0.000 0.277 307 Q C -1.442 174.585 176.000 0.044 0.000 1.082 307 Q CA -0.781 55.050 55.803 0.047 0.000 0.810 307 Q CB 3.456 32.240 28.738 0.077 0.000 1.374 307 Q HN 0.743 nan 8.270 nan 0.000 0.422 308 I N 3.642 124.242 120.570 0.050 0.000 2.330 308 I HA 0.451 4.622 4.170 0.001 0.000 0.289 308 I C -0.316 175.843 176.117 0.070 0.000 1.001 308 I CA -0.678 60.650 61.300 0.048 0.000 1.193 308 I CB 0.683 38.713 38.000 0.049 0.000 1.345 308 I HN 0.499 nan 8.210 nan 0.000 0.461 309 I N 2.343 122.937 120.570 0.040 0.000 2.646 309 I HA 0.619 4.789 4.170 0.001 0.000 0.299 309 I C -0.803 175.265 176.117 -0.083 0.000 1.036 309 I CA -0.538 60.764 61.300 0.004 0.000 1.074 309 I CB 2.173 40.175 38.000 0.003 0.000 1.258 309 I HN 0.494 nan 8.210 nan 0.000 0.430 310 E N 4.988 125.112 120.200 -0.127 0.000 2.873 310 E HA 0.268 4.619 4.350 0.001 0.000 0.232 310 E C -2.247 174.189 176.600 -0.273 0.000 1.123 310 E CA -1.461 54.861 56.400 -0.130 0.000 0.809 310 E CB 1.355 31.041 29.700 -0.023 0.000 1.366 310 E HN 0.527 nan 8.360 nan 0.000 0.400 311 P HA -0.137 nan 4.420 nan 0.000 0.225 311 P C 0.378 177.559 177.300 -0.199 0.000 1.148 311 P CA 1.042 63.707 63.100 -0.724 0.000 0.779 311 P CB 0.324 31.629 31.700 -0.658 0.000 0.780 312 E N -0.914 119.212 120.200 -0.124 0.000 2.501 312 E HA 0.373 4.724 4.350 0.001 0.000 0.201 312 E C 0.719 177.307 176.600 -0.021 0.000 1.016 312 E CA -0.039 56.337 56.400 -0.041 0.000 0.920 312 E CB 0.331 30.006 29.700 -0.043 0.000 1.023 312 E HN 0.122 nan 8.360 nan 0.000 0.474 313 G N 1.538 110.326 108.800 -0.019 0.000 2.525 313 G HA2 -0.149 3.812 3.960 0.001 0.000 0.685 313 G HA3 -0.149 3.812 3.960 0.001 0.000 0.685 313 G C -0.943 173.900 174.900 -0.094 0.000 1.290 313 G CA -1.018 44.064 45.100 -0.030 0.000 0.915 313 G HN -0.078 nan 8.290 nan 0.000 0.548 314 K N -0.113 120.162 120.400 -0.209 0.000 2.090 314 K HA 0.411 4.731 4.320 0.001 0.000 0.249 314 K C 1.148 177.575 176.600 -0.287 0.000 0.995 314 K CA -0.646 55.403 56.287 -0.396 0.000 0.914 314 K CB 0.761 32.612 32.500 -1.081 0.000 1.057 314 K HN 0.534 nan 8.250 nan 0.000 0.462 315 N N -0.299 118.316 118.700 -0.143 0.000 2.463 315 N HA -0.035 4.705 4.740 0.001 0.000 0.181 315 N C -0.337 175.291 175.510 0.198 0.000 1.078 315 N CA 0.343 53.443 53.050 0.084 0.000 0.902 315 N CB -0.091 38.522 38.487 0.210 0.000 0.970 315 N HN 0.490 nan 8.380 nan 0.000 0.451 316 Y N -1.233 119.229 120.300 0.270 0.000 2.376 316 Y HA 0.679 5.230 4.550 0.001 0.000 0.325 316 Y C -0.158 175.758 175.900 0.026 0.000 1.199 316 Y CA -1.131 57.075 58.100 0.177 0.000 1.206 316 Y CB 0.689 39.186 38.460 0.062 0.000 1.229 316 Y HN -0.325 nan 8.280 nan 0.000 0.480 317 T N 3.955 118.619 114.554 0.183 0.000 2.824 317 T HA 0.558 4.908 4.350 0.001 0.000 0.282 317 T C -0.640 174.057 174.700 -0.005 0.000 0.993 317 T CA -0.573 61.557 62.100 0.051 0.000 0.967 317 T CB 0.758 69.674 68.868 0.080 0.000 0.960 317 T HN 0.589 nan 8.240 nan 0.000 0.441 318 I N 3.111 123.603 120.570 -0.129 0.000 2.405 318 I HA 0.280 4.451 4.170 0.001 0.000 0.280 318 I C -0.014 176.095 176.117 -0.014 0.000 1.027 318 I CA -0.606 60.604 61.300 -0.150 0.000 1.161 318 I CB 1.230 39.035 38.000 -0.325 0.000 1.300 318 I HN 0.521 nan 8.210 nan 0.000 0.463 319 T N 5.068 119.625 114.554 0.005 0.000 2.853 319 T HA 0.541 4.892 4.350 0.001 0.000 0.317 319 T C 0.825 175.556 174.700 0.052 0.000 1.059 319 T CA 0.098 62.229 62.100 0.052 0.000 0.954 319 T CB 1.202 70.095 68.868 0.042 0.000 0.994 319 T HN 1.026 nan 8.240 nan 0.000 0.479 320 G N 3.927 112.775 108.800 0.080 0.000 2.565 320 G HA2 -0.273 3.687 3.960 0.001 0.000 0.295 320 G HA3 -0.273 3.687 3.960 0.001 0.000 0.295 320 G C 0.349 175.240 174.900 -0.014 0.000 1.165 320 G CA 0.373 45.505 45.100 0.053 0.000 0.977 320 G HN 0.616 nan 8.290 nan 0.000 0.546 321 D N 0.862 121.194 120.400 -0.114 0.000 2.398 321 D HA 0.181 4.822 4.640 0.001 0.000 0.210 321 D C 0.992 177.004 176.300 -0.481 0.000 1.094 321 D CA 0.001 53.795 54.000 -0.344 0.000 0.839 321 D CB 0.153 40.600 40.800 -0.589 0.000 0.963 321 D HN 0.227 nan 8.370 nan 0.000 0.506 322 M N 1.578 121.010 119.600 -0.280 0.000 2.146 322 M HA 0.281 4.761 4.480 0.001 0.000 0.352 322 M C 0.097 176.216 176.300 -0.302 0.000 1.343 322 M CA 0.063 55.212 55.300 -0.251 0.000 1.115 322 M CB 1.369 33.960 32.600 -0.014 0.000 1.657 322 M HN -0.214 nan 8.290 nan 0.000 0.471 323 I N 3.039 123.262 120.570 -0.578 0.000 2.336 323 I HA 0.214 4.385 4.170 0.001 0.000 0.292 323 I C -0.271 175.570 176.117 -0.460 0.000 0.991 323 I CA -0.643 60.262 61.300 -0.657 0.000 1.227 323 I CB 1.117 38.448 38.000 -1.115 0.000 1.366 323 I HN 0.604 nan 8.210 nan 0.000 0.466 324 H N 5.921 124.873 119.070 -0.196 0.000 2.539 324 H HA 0.451 5.008 4.556 0.001 0.000 0.332 324 H C -1.906 173.533 175.328 0.185 0.000 1.031 324 H CA -0.573 55.468 56.048 -0.012 0.000 1.206 324 H CB 1.146 30.909 29.762 0.001 0.000 1.446 324 H HN 0.611 nan 8.280 nan 0.000 0.496 325 W N 8.565 129.458 121.300 -0.679 0.000 3.216 325 W HA 0.400 5.060 4.660 0.001 0.000 0.335 325 W C -0.673 175.661 176.519 -0.308 0.000 1.077 325 W CA -0.537 56.589 57.345 -0.366 0.000 1.252 325 W CB 0.621 30.055 29.460 -0.044 0.000 1.312 325 W HN 0.869 nan 8.180 nan 0.000 0.446 326 R N 2.565 122.599 120.500 -0.776 0.000 3.883 326 R HA -0.376 3.964 4.340 0.001 0.000 0.407 326 R C 0.618 176.646 176.300 -0.453 0.000 0.242 326 R CA 2.169 57.869 56.100 -0.667 0.000 1.306 326 R CB -1.420 28.316 30.300 -0.941 0.000 0.973 326 R HN 0.795 nan 8.270 nan 0.000 0.574 327 N N -0.234 118.132 118.700 -0.556 0.000 2.280 327 N HA 0.110 4.851 4.740 0.001 0.000 0.192 327 N C -0.271 174.894 175.510 -0.575 0.000 1.109 327 N CA -0.100 52.532 53.050 -0.697 0.000 0.855 327 N CB 0.179 37.877 38.487 -1.316 0.000 0.974 327 N HN 0.242 nan 8.380 nan 0.000 0.482 328 W N 1.459 122.650 121.300 -0.182 0.000 2.365 328 W HA 0.347 5.008 4.660 0.001 0.000 0.316 328 W C -0.226 176.347 176.519 0.089 0.000 1.164 328 W CA -0.690 56.704 57.345 0.082 0.000 1.204 328 W CB 0.940 30.568 29.460 0.279 0.000 1.213 328 W HN -0.170 nan 8.180 nan 0.000 0.539 329 D N 3.240 123.947 120.400 0.510 0.000 2.896 329 D HA 0.448 5.089 4.640 0.001 0.000 0.241 329 D C -1.053 175.490 176.300 0.405 0.000 1.188 329 D CA -0.321 53.874 54.000 0.325 0.000 0.879 329 D CB 2.242 43.221 40.800 0.298 0.000 1.553 329 D HN 0.266 nan 8.370 nan 0.000 0.515 330 F N -0.985 118.992 119.950 0.045 0.000 2.725 330 F HA 0.325 4.853 4.527 0.001 0.000 0.309 330 F C -1.511 174.228 175.800 -0.102 0.000 1.132 330 F CA -1.008 56.973 58.000 -0.032 0.000 0.957 330 F CB 1.429 40.338 39.000 -0.152 0.000 1.286 330 F HN 0.174 nan 8.300 nan 0.000 0.440 331 H N 2.808 121.836 119.070 -0.069 0.000 2.488 331 H HA 0.643 5.199 4.556 0.001 0.000 0.322 331 H C -1.800 173.434 175.328 -0.157 0.000 1.078 331 H CA -0.584 55.298 56.048 -0.277 0.000 1.260 331 H CB 1.986 31.400 29.762 -0.581 0.000 1.425 331 H HN 0.837 nan 8.280 nan 0.000 0.471 332 L N 5.307 126.202 121.223 -0.546 0.000 2.343 332 L HA 0.320 4.660 4.340 0.001 0.000 0.278 332 L C -0.812 175.827 176.870 -0.384 0.000 0.996 332 L CA -0.172 54.470 54.840 -0.329 0.000 0.831 332 L CB 1.181 43.126 42.059 -0.191 0.000 1.232 332 L HN 0.663 nan 8.230 nan 0.000 0.413 333 S N 3.950 119.512 115.700 -0.230 0.000 2.740 333 S HA 0.874 5.345 4.470 0.001 0.000 0.300 333 S C -0.721 173.760 174.600 -0.198 0.000 1.147 333 S CA -0.927 57.178 58.200 -0.158 0.000 0.871 333 S CB 1.733 64.919 63.200 -0.024 0.000 1.173 333 S HN 0.609 nan 8.310 nan 0.000 0.510 334 M N 2.463 121.969 119.600 -0.156 0.000 2.393 334 M HA 0.505 4.986 4.480 0.001 0.000 0.316 334 M C -1.367 174.855 176.300 -0.130 0.000 1.087 334 M CA -0.516 54.675 55.300 -0.181 0.000 0.937 334 M CB 1.778 34.303 32.600 -0.126 0.000 1.668 334 M HN 0.859 nan 8.290 nan 0.000 0.438 335 N N 1.635 120.243 118.700 -0.153 0.000 2.314 335 N HA 0.293 5.034 4.740 0.001 0.000 0.294 335 N C 0.095 175.585 175.510 -0.035 0.000 1.029 335 N CA 0.099 53.103 53.050 -0.076 0.000 0.845 335 N CB 1.680 40.127 38.487 -0.067 0.000 1.321 335 N HN 0.868 nan 8.380 nan 0.000 0.481 336 S N 3.405 119.117 115.700 0.020 0.000 2.400 336 S HA -0.156 4.314 4.470 0.001 0.000 0.232 336 S C 1.706 176.360 174.600 0.091 0.000 1.025 336 S CA 0.737 58.977 58.200 0.067 0.000 0.993 336 S CB 0.019 63.268 63.200 0.082 0.000 0.808 336 S HN 0.714 nan 8.310 nan 0.000 0.478 337 R N 1.021 121.560 120.500 0.065 0.000 2.048 337 R HA 0.044 4.384 4.340 0.001 0.000 0.224 337 R C 2.342 178.699 176.300 0.095 0.000 1.163 337 R CA 1.580 57.719 56.100 0.064 0.000 0.956 337 R CB -0.312 29.979 30.300 -0.014 0.000 0.849 337 R HN 0.454 nan 8.270 nan 0.000 0.435 338 V N -1.831 118.118 119.914 0.058 0.000 3.506 338 V HA 0.378 4.498 4.120 0.001 0.000 0.263 338 V C 1.012 176.958 176.094 -0.246 0.000 1.203 338 V CA 0.723 63.028 62.300 0.009 0.000 1.133 338 V CB -0.160 31.699 31.823 0.060 0.000 0.802 338 V HN 0.707 nan 8.190 nan 0.000 0.459 339 G N 1.216 109.818 108.800 -0.330 0.000 2.496 339 G HA2 -0.186 3.775 3.960 0.001 0.000 0.243 339 G HA3 -0.186 3.775 3.960 0.001 0.000 0.243 339 G C -2.569 171.881 174.900 -0.749 0.000 1.176 339 G CA -0.158 44.443 45.100 -0.831 0.000 0.940 339 G HN 0.645 nan 8.290 nan 0.000 0.573 340 P HA 0.389 nan 4.420 nan 0.000 0.268 340 P C -0.472 176.469 177.300 -0.599 0.000 1.204 340 P CA 0.612 63.296 63.100 -0.694 0.000 0.768 340 P CB 0.510 31.806 31.700 -0.673 0.000 0.842 341 M N 3.799 123.103 119.600 -0.492 0.000 2.197 341 M HA 0.424 4.904 4.480 0.001 0.000 0.301 341 M C -0.334 175.712 176.300 -0.424 0.000 0.987 341 M CA -0.581 54.451 55.300 -0.446 0.000 0.921 341 M CB 2.152 34.574 32.600 -0.296 0.000 1.569 341 M HN 0.124 nan 8.290 nan 0.000 0.431 342 I N 2.607 122.861 120.570 -0.526 0.000 2.330 342 I HA 0.485 4.656 4.170 0.001 0.000 0.289 342 I C -0.350 175.599 176.117 -0.279 0.000 1.001 342 I CA -0.146 60.924 61.300 -0.384 0.000 1.193 342 I CB 1.041 38.691 38.000 -0.584 0.000 1.345 342 I HN 0.638 nan 8.210 nan 0.000 0.461 343 S N 2.669 118.264 115.700 -0.174 0.000 2.632 343 S HA 0.472 4.943 4.470 0.001 0.000 0.289 343 S C 0.185 174.682 174.600 -0.172 0.000 1.115 343 S CA -0.663 57.358 58.200 -0.298 0.000 0.889 343 S CB 1.865 64.796 63.200 -0.449 0.000 1.116 343 S HN 0.814 nan 8.310 nan 0.000 0.486 344 T N -1.721 112.573 114.554 -0.433 0.000 3.549 344 T HA -0.159 4.191 4.350 0.001 0.000 0.398 344 T C -0.069 174.775 174.700 0.240 0.000 0.766 344 T CA 0.103 61.983 62.100 -0.366 0.000 2.007 344 T CB -2.526 66.218 68.868 -0.207 0.000 1.727 344 T HN 0.540 nan 8.240 nan 0.000 0.693 345 V N 2.712 122.823 119.914 0.328 0.000 2.415 345 V HA 0.527 4.647 4.120 0.001 0.000 0.267 345 V C 1.302 177.777 176.094 0.634 0.000 1.042 345 V CA 0.273 62.858 62.300 0.475 0.000 1.000 345 V CB 0.441 32.474 31.823 0.350 0.000 1.015 345 V HN 0.993 nan 8.190 nan 0.000 0.478 346 T N 2.229 117.156 114.554 0.622 0.000 2.942 346 T HA 0.669 5.019 4.350 0.001 0.000 0.289 346 T C -1.096 173.917 174.700 0.522 0.000 1.044 346 T CA -0.778 61.636 62.100 0.523 0.000 1.023 346 T CB 1.951 71.055 68.868 0.392 0.000 1.123 346 T HN 0.375 nan 8.240 nan 0.000 0.512 347 Y N 1.727 122.176 120.300 0.248 0.000 2.338 347 Y HA 0.486 5.036 4.550 0.001 0.000 0.333 347 Y C -0.358 175.613 175.900 0.119 0.000 0.968 347 Y CA -1.085 57.044 58.100 0.049 0.000 1.123 347 Y CB 1.509 39.956 38.460 -0.022 0.000 1.165 347 Y HN 0.821 nan 8.280 nan 0.000 0.452 348 N N 4.464 123.074 118.700 -0.149 0.000 2.402 348 N HA 0.062 4.802 4.740 0.001 0.000 0.252 348 N C -1.488 174.050 175.510 0.048 0.000 1.118 348 N CA 0.102 53.131 53.050 -0.034 0.000 0.945 348 N CB 0.381 38.818 38.487 -0.083 0.000 1.147 348 N HN 0.604 nan 8.380 nan 0.000 0.495 349 D N 3.002 123.535 120.400 0.221 0.000 2.473 349 D HA 0.237 4.877 4.640 0.001 0.000 0.226 349 D C -0.553 175.825 176.300 0.129 0.000 1.089 349 D CA -0.251 53.917 54.000 0.279 0.000 0.883 349 D CB -0.663 40.369 40.800 0.387 0.000 1.029 349 D HN 0.626 nan 8.370 nan 0.000 0.517 350 N N 3.032 121.781 118.700 0.081 0.000 2.699 350 N HA -0.251 4.490 4.740 0.001 0.000 0.256 350 N C 0.938 176.463 175.510 0.026 0.000 0.993 350 N CA 0.660 53.733 53.050 0.038 0.000 0.759 350 N CB -0.645 37.865 38.487 0.037 0.000 0.906 350 N HN 0.729 nan 8.380 nan 0.000 0.541 351 G N -1.834 106.979 108.800 0.022 0.000 2.199 351 G HA2 -0.317 3.643 3.960 0.001 0.000 0.254 351 G HA3 -0.317 3.643 3.960 0.001 0.000 0.254 351 G C 0.150 175.064 174.900 0.023 0.000 0.982 351 G CA 0.527 45.635 45.100 0.013 0.000 0.632 351 G HN 0.441 nan 8.290 nan 0.000 0.529 352 T N 1.472 116.050 114.554 0.041 0.000 2.743 352 T HA 0.509 4.860 4.350 0.001 0.000 0.292 352 T C 0.141 174.887 174.700 0.077 0.000 0.972 352 T CA -0.344 61.781 62.100 0.042 0.000 0.967 352 T CB 1.400 70.282 68.868 0.024 0.000 0.926 352 T HN 0.295 nan 8.240 nan 0.000 0.459 353 K N 3.626 124.069 120.400 0.072 0.000 2.338 353 K HA 0.258 4.578 4.320 0.001 0.000 0.290 353 K C 0.301 176.967 176.600 0.110 0.000 1.069 353 K CA -0.145 56.211 56.287 0.114 0.000 0.941 353 K CB 0.635 33.205 32.500 0.116 0.000 1.023 353 K HN 0.369 nan 8.250 nan 0.000 0.477 354 R N 2.733 123.350 120.500 0.195 0.000 2.368 354 R HA 0.205 4.546 4.340 0.001 0.000 0.302 354 R C -0.302 176.141 176.300 0.238 0.000 1.002 354 R CA -0.766 55.453 56.100 0.199 0.000 0.929 354 R CB 1.201 31.672 30.300 0.285 0.000 1.073 354 R HN 0.323 nan 8.270 nan 0.000 0.464 355 K N 1.380 121.816 120.400 0.060 0.000 2.401 355 K HA 0.059 4.380 4.320 0.001 0.000 0.278 355 K C 0.312 177.022 176.600 0.184 0.000 1.018 355 K CA -0.135 56.124 56.287 -0.047 0.000 0.981 355 K CB 1.093 33.352 32.500 -0.402 0.000 0.933 355 K HN 0.339 nan 8.250 nan 0.000 0.477 356 V N 2.422 122.479 119.914 0.239 0.000 3.029 356 V HA 0.162 4.282 4.120 0.001 0.000 0.230 356 V C 0.004 176.140 176.094 0.071 0.000 1.254 356 V CA 0.097 62.421 62.300 0.041 0.000 1.276 356 V CB 0.412 32.267 31.823 0.053 0.000 1.080 356 V HN 0.753 nan 8.190 nan 0.000 0.495 357 M N -1.329 118.428 119.600 0.262 0.000 2.277 357 M HA 0.361 4.842 4.480 0.001 0.000 0.282 357 M C -0.134 176.346 176.300 0.300 0.000 1.074 357 M CA -0.585 54.840 55.300 0.208 0.000 0.954 357 M CB 2.270 34.901 32.600 0.052 0.000 1.672 357 M HN 0.259 nan 8.290 nan 0.000 0.471 358 Y N 3.952 124.343 120.300 0.152 0.000 2.153 358 Y HA 0.127 4.677 4.550 0.001 0.000 0.289 358 Y C 0.125 175.863 175.900 -0.270 0.000 1.127 358 Y CA 1.938 59.920 58.100 -0.197 0.000 1.131 358 Y CB 0.520 38.864 38.460 -0.193 0.000 0.995 358 Y HN 0.619 nan 8.280 nan 0.000 0.505 359 E N -0.602 119.431 120.200 -0.278 0.000 2.372 359 E HA 0.542 4.893 4.350 0.001 0.000 0.279 359 E C -1.202 175.278 176.600 -0.200 0.000 0.946 359 E CA -0.824 55.372 56.400 -0.340 0.000 0.769 359 E CB 1.709 31.174 29.700 -0.391 0.000 1.230 359 E HN 0.242 nan 8.360 nan 0.000 0.442 360 G N 0.514 109.169 108.800 -0.242 0.000 2.701 360 G HA2 0.619 4.579 3.960 0.001 0.000 0.300 360 G HA3 0.619 4.579 3.960 0.001 0.000 0.300 360 G C -0.935 173.780 174.900 -0.307 0.000 1.410 360 G CA -0.219 44.795 45.100 -0.144 0.000 1.014 360 G HN 0.837 nan 8.290 nan 0.000 0.509 361 S N 0.916 116.630 115.700 0.022 0.000 2.615 361 S HA 0.598 5.068 4.470 0.001 0.000 0.268 361 S C -1.019 173.810 174.600 0.381 0.000 1.146 361 S CA -0.823 57.390 58.200 0.022 0.000 0.818 361 S CB 1.076 64.175 63.200 -0.168 0.000 1.111 361 S HN 1.533 nan 8.310 nan 0.000 0.465 362 L N 1.875 123.294 121.223 0.326 0.000 2.506 362 L HA 0.566 4.906 4.340 0.001 0.000 0.281 362 L C 1.274 178.195 176.870 0.085 0.000 1.228 362 L CA 1.502 56.461 54.840 0.198 0.000 0.850 362 L CB 0.204 42.233 42.059 -0.049 0.000 1.110 362 L HN 1.026 nan 8.230 nan 0.000 0.496 363 G N 2.213 111.029 108.800 0.026 0.000 2.564 363 G HA2 0.512 4.473 3.960 0.001 0.000 0.212 363 G HA3 0.512 4.473 3.960 0.001 0.000 0.212 363 G C 0.339 175.296 174.900 0.094 0.000 1.199 363 G CA 0.468 45.620 45.100 0.088 0.000 0.832 363 G HN 1.140 nan 8.290 nan 0.000 0.565 364 G N -1.201 107.566 108.800 -0.055 0.000 2.349 364 G HA2 0.568 4.529 3.960 0.001 0.000 0.294 364 G HA3 0.568 4.529 3.960 0.001 0.000 0.294 364 G C -1.059 173.799 174.900 -0.070 0.000 1.380 364 G CA -0.239 44.819 45.100 -0.069 0.000 0.811 364 G HN 0.882 nan 8.290 nan 0.000 0.519 365 M N -1.114 118.525 119.600 0.065 0.000 2.813 365 M HA 0.902 5.382 4.480 0.001 0.000 0.270 365 M C -1.732 174.753 176.300 0.308 0.000 1.267 365 M CA -1.054 54.368 55.300 0.204 0.000 0.822 365 M CB 2.637 35.336 32.600 0.166 0.000 1.671 365 M HN 0.862 nan 8.290 nan 0.000 0.468 366 I N 1.165 121.890 120.570 0.257 0.000 2.775 366 I HA 0.612 4.783 4.170 0.001 0.000 0.295 366 I C -1.880 174.302 176.117 0.108 0.000 1.287 366 I CA -0.928 60.507 61.300 0.225 0.000 1.029 366 I CB 2.585 40.726 38.000 0.235 0.000 1.282 366 I HN 0.657 nan 8.210 nan 0.000 0.426 367 V N 7.758 127.773 119.914 0.170 0.000 2.276 367 V HA 0.389 4.509 4.120 0.001 0.000 0.268 367 V C -2.408 173.786 176.094 0.166 0.000 1.032 367 V CA -1.200 61.163 62.300 0.104 0.000 0.810 367 V CB 0.793 32.724 31.823 0.179 0.000 1.060 367 V HN 0.520 nan 8.190 nan 0.000 0.446 368 P HA 0.405 nan 4.420 nan 0.000 0.290 368 P C -1.218 176.185 177.300 0.171 0.000 1.276 368 P CA -0.361 62.920 63.100 0.302 0.000 0.808 368 P CB 1.305 33.385 31.700 0.634 0.000 0.966 369 Y N 0.782 121.220 120.300 0.231 0.000 2.374 369 Y HA 0.499 5.050 4.550 0.001 0.000 0.322 369 Y C 1.916 177.932 175.900 0.195 0.000 1.275 369 Y CA 0.438 58.663 58.100 0.207 0.000 1.307 369 Y CB 1.063 39.669 38.460 0.243 0.000 1.282 369 Y HN 0.498 nan 8.280 nan 0.000 0.509 370 G N -0.265 108.665 108.800 0.216 0.000 3.228 370 G HA2 -0.020 3.940 3.960 0.001 0.000 0.245 370 G HA3 -0.020 3.940 3.960 0.001 0.000 0.245 370 G C -0.491 174.398 174.900 -0.017 0.000 1.051 370 G CA -0.082 45.082 45.100 0.107 0.000 0.809 370 G HN 0.510 nan 8.290 nan 0.000 0.531 371 D N 1.282 121.642 120.400 -0.067 0.000 2.249 371 D HA 0.218 4.858 4.640 0.001 0.000 0.246 371 D C -1.449 174.751 176.300 -0.167 0.000 1.114 371 D CA -1.861 51.895 54.000 -0.407 0.000 0.854 371 D CB 2.696 43.203 40.800 -0.488 0.000 1.132 371 D HN 0.038 nan 8.370 nan 0.000 0.461 372 P HA 0.062 nan 4.420 nan 0.000 0.249 372 P C -0.178 177.157 177.300 0.059 0.000 1.229 372 P CA -0.122 62.938 63.100 -0.066 0.000 0.788 372 P CB 0.600 32.206 31.700 -0.156 0.000 1.072 373 D N 0.444 120.882 120.400 0.064 0.000 2.361 373 D HA 0.003 4.643 4.640 0.001 0.000 0.239 373 D C 1.910 178.424 176.300 0.357 0.000 1.200 373 D CA -0.153 53.956 54.000 0.181 0.000 0.915 373 D CB 0.594 41.501 40.800 0.177 0.000 1.170 373 D HN 0.045 nan 8.370 nan 0.000 0.444 374 I N -1.708 119.042 120.570 0.300 0.000 2.194 374 I HA -0.133 4.037 4.170 0.001 0.000 0.246 374 I C 1.732 178.012 176.117 0.273 0.000 1.093 374 I CA 1.813 63.306 61.300 0.323 0.000 1.355 374 I CB -0.544 37.563 38.000 0.179 0.000 1.046 374 I HN 0.301 nan 8.210 nan 0.000 0.413 375 G N -0.940 107.955 108.800 0.158 0.000 2.920 375 G HA2 0.007 3.968 3.960 0.001 0.000 0.208 375 G HA3 0.007 3.968 3.960 0.001 0.000 0.208 375 G C 0.739 175.243 174.900 -0.661 0.000 1.159 375 G CA 0.079 45.093 45.100 -0.142 0.000 0.784 375 G HN 0.651 nan 8.290 nan 0.000 0.535 376 W N -1.463 119.680 121.300 -0.262 0.000 3.283 376 W HA 0.188 4.849 4.660 0.001 0.000 0.235 376 W C 2.067 178.229 176.519 -0.595 0.000 1.123 376 W CA -0.159 56.881 57.345 -0.508 0.000 1.534 376 W CB -0.396 28.934 29.460 -0.218 0.000 0.839 376 W HN 0.191 nan 8.180 nan 0.000 0.734 377 Y N 1.120 121.390 120.300 -0.049 0.000 2.283 377 Y HA -0.313 4.237 4.550 0.001 0.000 0.285 377 Y C 1.580 177.540 175.900 0.101 0.000 1.176 377 Y CA 1.492 59.611 58.100 0.031 0.000 1.229 377 Y CB -1.814 36.664 38.460 0.031 0.000 0.975 377 Y HN 0.098 nan 8.280 nan 0.000 0.537 378 F N -0.320 119.377 119.950 -0.422 0.000 2.727 378 F HA 0.432 4.960 4.527 0.001 0.000 0.302 378 F C 0.454 176.188 175.800 -0.109 0.000 1.097 378 F CA -1.366 56.548 58.000 -0.142 0.000 1.330 378 F CB -0.437 38.313 39.000 -0.416 0.000 1.084 378 F HN -0.258 nan 8.300 nan 0.000 0.578 379 K N 2.290 122.229 120.400 -0.768 0.000 2.338 379 K HA 0.551 4.872 4.320 0.001 0.000 0.290 379 K C -0.320 176.109 176.600 -0.285 0.000 1.069 379 K CA 0.219 56.107 56.287 -0.665 0.000 0.941 379 K CB 0.679 32.757 32.500 -0.704 0.000 1.023 379 K HN 0.318 nan 8.250 nan 0.000 0.477 380 A N 4.545 127.117 122.820 -0.413 0.000 3.124 380 A HA 0.212 4.532 4.320 0.001 0.000 0.295 380 A C -1.432 176.074 177.584 -0.129 0.000 1.199 380 A CA -0.765 51.195 52.037 -0.128 0.000 0.845 380 A CB 0.067 19.037 19.000 -0.049 0.000 1.381 380 A HN 0.583 nan 8.150 nan 0.000 0.537 381 Y N 0.604 121.038 120.300 0.224 0.000 2.442 381 Y HA 0.377 4.928 4.550 0.001 0.000 0.330 381 Y C 0.739 176.780 175.900 0.234 0.000 1.129 381 Y CA -0.197 58.044 58.100 0.236 0.000 1.365 381 Y CB 0.681 39.256 38.460 0.192 0.000 1.233 381 Y HN 0.460 nan 8.280 nan 0.000 0.529 382 L N 4.279 125.755 121.223 0.422 0.000 2.719 382 L HA 0.217 4.558 4.340 0.001 0.000 0.236 382 L C 0.393 177.494 176.870 0.385 0.000 1.221 382 L CA -0.249 54.785 54.840 0.323 0.000 1.048 382 L CB 0.270 42.470 42.059 0.236 0.000 1.364 382 L HN 0.698 nan 8.230 nan 0.000 0.447 383 D N 0.301 120.935 120.400 0.390 0.000 2.158 383 D HA -0.191 4.449 4.640 0.001 0.000 0.197 383 D C 2.144 178.659 176.300 0.358 0.000 0.995 383 D CA 1.925 56.161 54.000 0.394 0.000 0.846 383 D CB 0.273 41.253 40.800 0.301 0.000 0.941 383 D HN 0.526 nan 8.370 nan 0.000 0.456 384 S N -0.445 115.410 115.700 0.258 0.000 2.362 384 S HA -0.008 4.463 4.470 0.001 0.000 0.221 384 S C 2.270 176.941 174.600 0.119 0.000 1.032 384 S CA 1.110 59.432 58.200 0.203 0.000 0.973 384 S CB -0.862 62.434 63.200 0.161 0.000 0.849 384 S HN 0.234 nan 8.310 nan 0.000 0.465 385 G N 1.834 110.670 108.800 0.061 0.000 2.433 385 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 385 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 385 G C 1.133 176.029 174.900 -0.006 0.000 1.186 385 G CA 1.195 46.261 45.100 -0.056 0.000 0.779 385 G HN 0.513 nan 8.290 nan 0.000 0.543 386 D N -1.182 119.270 120.400 0.087 0.000 2.271 386 D HA 0.079 4.720 4.640 0.001 0.000 0.206 386 D C 1.568 177.773 176.300 -0.159 0.000 0.967 386 D CA 0.587 54.580 54.000 -0.012 0.000 0.867 386 D CB 0.104 40.933 40.800 0.048 0.000 0.960 386 D HN 0.462 nan 8.370 nan 0.000 0.509 387 Y N -0.327 120.070 120.300 0.162 0.000 2.444 387 Y HA 0.344 4.895 4.550 0.001 0.000 0.252 387 Y C 1.065 177.066 175.900 0.169 0.000 1.091 387 Y CA 0.112 58.332 58.100 0.200 0.000 1.276 387 Y CB 0.972 39.579 38.460 0.247 0.000 1.170 387 Y HN -0.104 nan 8.280 nan 0.000 0.517 388 G N 1.308 110.261 108.800 0.254 0.000 2.738 388 G HA2 -0.270 3.691 3.960 0.001 0.000 0.262 388 G HA3 -0.270 3.691 3.960 0.001 0.000 0.262 388 G C 0.482 175.535 174.900 0.256 0.000 1.032 388 G CA 0.235 45.455 45.100 0.200 0.000 1.278 388 G HN 0.299 nan 8.290 nan 0.000 0.537 389 M N 1.038 120.815 119.600 0.295 0.000 2.175 389 M HA 0.011 4.492 4.480 0.001 0.000 0.264 389 M C 2.761 179.373 176.300 0.519 0.000 1.063 389 M CA 2.382 57.922 55.300 0.400 0.000 1.119 389 M CB -0.170 32.716 32.600 0.476 0.000 1.377 389 M HN 0.674 nan 8.290 nan 0.000 0.415 390 G N -0.607 108.442 108.800 0.414 0.000 2.440 390 G HA2 -0.214 3.746 3.960 0.001 0.000 0.218 390 G HA3 -0.214 3.746 3.960 0.001 0.000 0.218 390 G C 1.427 176.497 174.900 0.283 0.000 1.154 390 G CA 1.602 46.894 45.100 0.320 0.000 0.767 390 G HN 0.379 nan 8.290 nan 0.000 0.552 391 T N 1.177 115.863 114.554 0.219 0.000 2.777 391 T HA 0.011 4.361 4.350 0.001 0.000 0.266 391 T C 2.092 176.895 174.700 0.171 0.000 1.040 391 T CA 0.627 62.832 62.100 0.174 0.000 1.141 391 T CB -0.150 68.812 68.868 0.156 0.000 0.868 391 T HN 0.134 nan 8.240 nan 0.000 0.444 392 L N 1.574 122.914 121.223 0.195 0.000 2.645 392 L HA 0.114 4.454 4.340 0.001 0.000 0.235 392 L C 0.625 177.578 176.870 0.138 0.000 1.150 392 L CA -0.178 54.749 54.840 0.146 0.000 0.911 392 L CB -0.788 41.356 42.059 0.141 0.000 1.077 392 L HN 0.122 nan 8.230 nan 0.000 0.438 393 T N 0.232 114.920 114.554 0.223 0.000 2.923 393 T HA -0.050 4.301 4.350 0.001 0.000 0.304 393 T C 0.650 175.399 174.700 0.083 0.000 1.044 393 T CA 0.402 62.626 62.100 0.206 0.000 1.141 393 T CB 0.482 69.599 68.868 0.415 0.000 1.023 393 T HN 0.125 nan 8.240 nan 0.000 0.533 394 S N 5.383 121.079 115.700 -0.005 0.000 2.422 394 S HA 0.348 4.818 4.470 0.001 0.000 0.308 394 S C -2.201 172.411 174.600 0.020 0.000 1.097 394 S CA -1.223 56.973 58.200 -0.006 0.000 1.099 394 S CB 0.928 64.096 63.200 -0.054 0.000 0.976 394 S HN 0.456 nan 8.310 nan 0.000 0.471 395 P HA 0.038 nan 4.420 nan 0.000 0.262 395 P C -0.220 177.098 177.300 0.030 0.000 1.182 395 P CA -0.189 62.938 63.100 0.045 0.000 0.761 395 P CB 0.195 31.914 31.700 0.032 0.000 0.795 396 I N 2.229 122.827 120.570 0.047 0.000 2.741 396 I HA -0.038 4.133 4.170 0.001 0.000 0.288 396 I C 1.000 177.125 176.117 0.013 0.000 1.192 396 I CA 0.116 61.438 61.300 0.037 0.000 1.426 396 I CB -0.481 37.557 38.000 0.064 0.000 1.367 396 I HN 0.373 nan 8.210 nan 0.000 0.563 397 A N 8.023 130.844 122.820 0.001 0.000 2.437 397 A HA 0.192 4.512 4.320 0.001 0.000 0.303 397 A C 0.824 178.399 177.584 -0.014 0.000 1.324 397 A CA -0.526 51.506 52.037 -0.008 0.000 0.983 397 A CB -0.162 18.832 19.000 -0.010 0.000 1.142 397 A HN 0.754 nan 8.150 nan 0.000 0.541 398 R N 1.858 122.348 120.500 -0.016 0.000 2.526 398 R HA 0.126 4.466 4.340 0.001 0.000 0.319 398 R C 1.478 177.763 176.300 -0.026 0.000 0.888 398 R CA 1.736 57.823 56.100 -0.021 0.000 1.127 398 R CB -0.121 30.164 30.300 -0.025 0.000 0.888 398 R HN 1.521 nan 8.270 nan 0.000 0.410 399 G N 3.474 112.249 108.800 -0.042 0.000 2.284 399 G HA2 -0.369 3.592 3.960 0.001 0.000 0.247 399 G HA3 -0.369 3.592 3.960 0.001 0.000 0.247 399 G C 0.733 175.604 174.900 -0.049 0.000 1.012 399 G CA 0.690 45.763 45.100 -0.046 0.000 0.618 399 G HN 0.618 nan 8.290 nan 0.000 0.521 400 K N -0.371 120.005 120.400 -0.039 0.000 2.286 400 K HA 0.233 4.554 4.320 0.001 0.000 0.203 400 K C 1.632 178.212 176.600 -0.033 0.000 1.078 400 K CA 0.675 56.944 56.287 -0.030 0.000 0.957 400 K CB -0.003 32.486 32.500 -0.018 0.000 1.018 400 K HN 0.132 nan 8.250 nan 0.000 0.484 401 D N 0.832 121.214 120.400 -0.031 0.000 2.183 401 D HA 0.028 4.669 4.640 0.001 0.000 0.203 401 D C 0.206 176.484 176.300 -0.037 0.000 0.969 401 D CA 0.758 54.749 54.000 -0.015 0.000 0.842 401 D CB 0.260 41.058 40.800 -0.003 0.000 0.957 401 D HN 0.213 nan 8.370 nan 0.000 0.484 402 A N 0.574 123.328 122.820 -0.111 0.000 2.454 402 A HA 0.593 4.913 4.320 0.001 0.000 0.302 402 A C -2.622 174.754 177.584 -0.347 0.000 1.079 402 A CA -1.408 50.444 52.037 -0.308 0.000 0.731 402 A CB 1.704 20.562 19.000 -0.237 0.000 1.299 402 A HN -0.196 nan 8.150 nan 0.000 0.413 403 P HA 0.076 nan 4.420 nan 0.000 0.272 403 P C 0.932 178.122 177.300 -0.183 0.000 1.240 403 P CA 0.332 63.244 63.100 -0.313 0.000 0.791 403 P CB 0.753 32.251 31.700 -0.338 0.000 0.978 404 S N 0.245 115.900 115.700 -0.075 0.000 2.465 404 S HA -0.173 4.297 4.470 0.001 0.000 0.241 404 S C 1.194 175.818 174.600 0.041 0.000 1.000 404 S CA 1.070 59.267 58.200 -0.004 0.000 0.964 404 S CB -1.145 62.069 63.200 0.023 0.000 0.763 404 S HN 0.658 nan 8.310 nan 0.000 0.512 405 N N 1.826 120.551 118.700 0.041 0.000 2.276 405 N HA 0.306 5.046 4.740 0.001 0.000 0.212 405 N C 0.158 175.765 175.510 0.162 0.000 1.127 405 N CA 0.231 53.349 53.050 0.113 0.000 0.834 405 N CB -0.048 38.514 38.487 0.125 0.000 1.014 405 N HN 0.487 nan 8.380 nan 0.000 0.491 406 A N 0.327 123.210 122.820 0.104 0.000 2.304 406 A HA 0.532 4.852 4.320 0.001 0.000 0.271 406 A C -0.191 177.516 177.584 0.205 0.000 1.091 406 A CA -0.467 51.682 52.037 0.187 0.000 0.812 406 A CB 0.894 19.925 19.000 0.052 0.000 1.056 406 A HN 0.070 nan 8.150 nan 0.000 0.489 407 V N 2.203 122.271 119.914 0.258 0.000 2.357 407 V HA 0.306 4.426 4.120 0.001 0.000 0.284 407 V C -0.361 175.868 176.094 0.226 0.000 1.018 407 V CA -0.155 62.308 62.300 0.271 0.000 0.841 407 V CB 0.893 32.922 31.823 0.343 0.000 0.991 407 V HN 0.649 nan 8.190 nan 0.000 0.437 408 L N 6.436 127.770 121.223 0.185 0.000 2.272 408 L HA 0.565 4.906 4.340 0.001 0.000 0.289 408 L C -0.382 176.571 176.870 0.138 0.000 1.032 408 L CA -0.374 54.549 54.840 0.138 0.000 0.810 408 L CB 1.111 43.217 42.059 0.079 0.000 1.205 408 L HN 0.407 nan 8.230 nan 0.000 0.422 409 L N 3.289 124.597 121.223 0.142 0.000 2.357 409 L HA 0.444 4.785 4.340 0.001 0.000 0.273 409 L C 0.005 176.913 176.870 0.064 0.000 1.080 409 L CA -0.625 54.284 54.840 0.116 0.000 0.803 409 L CB 0.842 42.974 42.059 0.122 0.000 1.174 409 L HN 0.583 nan 8.230 nan 0.000 0.443 410 N N 1.598 120.313 118.700 0.025 0.000 2.456 410 N HA 0.425 5.166 4.740 0.001 0.000 0.296 410 N C -0.840 174.678 175.510 0.014 0.000 1.102 410 N CA -0.576 52.482 53.050 0.014 0.000 0.924 410 N CB 2.100 40.577 38.487 -0.016 0.000 1.186 410 N HN 0.491 nan 8.380 nan 0.000 0.492 411 E N 0.538 120.752 120.200 0.022 0.000 2.293 411 E HA 0.389 4.739 4.350 0.001 0.000 0.270 411 E C -0.815 175.792 176.600 0.012 0.000 0.879 411 E CA -0.545 55.861 56.400 0.010 0.000 0.756 411 E CB 2.225 31.930 29.700 0.008 0.000 1.208 411 E HN 0.323 nan 8.360 nan 0.000 0.428 412 T N 2.922 117.475 114.554 -0.001 0.000 2.797 412 T HA 0.696 5.047 4.350 0.001 0.000 0.279 412 T C 0.321 175.020 174.700 -0.001 0.000 0.991 412 T CA -0.525 61.575 62.100 -0.000 0.000 0.979 412 T CB 0.404 69.267 68.868 -0.009 0.000 0.943 412 T HN 0.428 nan 8.240 nan 0.000 0.444 413 I N -0.452 120.124 120.570 0.009 0.000 3.174 413 I HA 0.965 5.135 4.170 0.001 0.000 0.313 413 I C -0.640 175.481 176.117 0.008 0.000 1.155 413 I CA -1.832 59.475 61.300 0.012 0.000 0.977 413 I CB 1.847 39.867 38.000 0.034 0.000 1.248 413 I HN 0.599 nan 8.210 nan 0.000 0.453 414 A N 1.992 124.817 122.820 0.008 0.000 2.310 414 A HA 0.575 4.895 4.320 0.001 0.000 0.299 414 A C -0.652 176.954 177.584 0.036 0.000 1.147 414 A CA -0.389 51.643 52.037 -0.008 0.000 0.818 414 A CB 0.345 19.321 19.000 -0.040 0.000 1.096 414 A HN 0.856 nan 8.150 nan 0.000 0.495 415 D N 0.438 120.849 120.400 0.018 0.000 2.423 415 D HA 0.112 4.753 4.640 0.001 0.000 0.255 415 D C 0.793 177.149 176.300 0.092 0.000 1.174 415 D CA -0.234 53.804 54.000 0.064 0.000 1.008 415 D CB 0.038 40.857 40.800 0.031 0.000 1.101 415 D HN 0.639 nan 8.370 nan 0.000 0.516 416 Y N -1.548 118.833 120.300 0.134 0.000 2.556 416 Y HA -0.107 4.443 4.550 0.000 0.000 0.290 416 Y C 1.747 177.815 175.900 0.280 0.000 1.149 416 Y CA 1.444 59.655 58.100 0.184 0.000 1.329 416 Y CB -1.032 37.505 38.460 0.128 0.000 0.975 416 Y HN 0.391 nan 8.280 nan 0.000 0.561 417 T N -3.721 110.606 114.554 -0.379 0.000 3.086 417 T HA 0.428 4.779 4.350 0.001 0.000 0.250 417 T C 1.589 176.345 174.700 0.093 0.000 1.074 417 T CA 0.338 62.352 62.100 -0.143 0.000 0.988 417 T CB -0.299 68.353 68.868 -0.361 0.000 0.988 417 T HN 0.928 nan 8.240 nan 0.000 0.530 418 G N 0.608 109.380 108.800 -0.047 0.000 2.141 418 G HA2 -0.194 3.767 3.960 0.001 0.000 0.242 418 G HA3 -0.194 3.767 3.960 0.001 0.000 0.242 418 G C -0.053 174.702 174.900 -0.243 0.000 0.982 418 G CA -0.077 44.794 45.100 -0.382 0.000 0.662 418 G HN 0.697 nan 8.290 nan 0.000 0.527 419 V N 1.876 121.705 119.914 -0.142 0.000 2.407 419 V HA 0.459 4.579 4.120 0.001 0.000 0.278 419 V C -1.596 174.454 176.094 -0.073 0.000 1.037 419 V CA -1.693 60.546 62.300 -0.102 0.000 0.900 419 V CB 1.655 33.428 31.823 -0.083 0.000 0.983 419 V HN 0.102 nan 8.190 nan 0.000 0.459 420 P HA 0.137 nan 4.420 nan 0.000 0.266 420 P C -0.565 176.721 177.300 -0.023 0.000 1.195 420 P CA 0.160 63.235 63.100 -0.042 0.000 0.768 420 P CB 0.371 32.046 31.700 -0.042 0.000 0.838 421 M N 2.315 121.910 119.600 -0.008 0.000 2.213 421 M HA 0.301 4.781 4.480 0.001 0.000 0.286 421 M C -0.918 175.390 176.300 0.014 0.000 1.008 421 M CA -0.806 54.499 55.300 0.008 0.000 0.937 421 M CB 1.886 34.500 32.600 0.023 0.000 1.600 421 M HN 0.149 nan 8.290 nan 0.000 0.450 422 E N 5.359 125.566 120.200 0.012 0.000 2.081 422 E HA 0.397 4.747 4.350 0.001 0.000 0.281 422 E C -1.468 175.147 176.600 0.024 0.000 0.986 422 E CA -0.200 56.207 56.400 0.012 0.000 0.796 422 E CB 0.558 30.259 29.700 0.002 0.000 1.085 422 E HN 0.663 nan 8.360 nan 0.000 0.398 423 I N 8.128 128.720 120.570 0.037 0.000 2.312 423 I HA 0.268 4.438 4.170 0.001 0.000 0.291 423 I C -1.882 174.263 176.117 0.046 0.000 1.031 423 I CA -2.147 59.187 61.300 0.056 0.000 1.293 423 I CB 1.018 39.073 38.000 0.093 0.000 1.403 423 I HN 0.447 nan 8.210 nan 0.000 0.484 424 P HA 0.148 nan 4.420 nan 0.000 0.280 424 P C -0.600 176.722 177.300 0.036 0.000 1.244 424 P CA -0.328 62.784 63.100 0.019 0.000 0.784 424 P CB 0.729 32.431 31.700 0.004 0.000 0.913 425 R N 1.417 121.938 120.500 0.034 0.000 3.333 425 R HA -0.221 4.119 4.340 0.001 0.000 0.256 425 R C 1.120 177.481 176.300 0.102 0.000 1.010 425 R CA 0.433 56.568 56.100 0.058 0.000 0.680 425 R CB -2.434 27.887 30.300 0.035 0.000 1.102 425 R HN 0.615 nan 8.270 nan 0.000 0.440 426 A N 0.425 123.318 122.820 0.122 0.000 1.898 426 A HA 0.074 4.395 4.320 0.001 0.000 0.216 426 A C 1.052 178.806 177.584 0.284 0.000 1.181 426 A CA 1.011 53.166 52.037 0.197 0.000 0.620 426 A CB 0.255 19.349 19.000 0.157 0.000 0.819 426 A HN 0.382 nan 8.150 nan 0.000 0.442 427 I N -1.189 119.508 120.570 0.211 0.000 2.533 427 I HA 0.540 4.710 4.170 0.001 0.000 0.290 427 I C -0.262 175.970 176.117 0.192 0.000 1.056 427 I CA -0.757 60.681 61.300 0.229 0.000 1.057 427 I CB 2.154 40.245 38.000 0.151 0.000 1.240 427 I HN 0.138 nan 8.210 nan 0.000 0.423 428 A N 5.967 128.927 122.820 0.234 0.000 2.290 428 A HA 0.796 5.117 4.320 0.001 0.000 0.310 428 A C -0.616 177.124 177.584 0.260 0.000 1.202 428 A CA -0.468 51.727 52.037 0.262 0.000 0.837 428 A CB 1.038 20.216 19.000 0.297 0.000 1.139 428 A HN 0.461 nan 8.150 nan 0.000 0.509 429 V N 3.105 123.135 119.914 0.194 0.000 2.495 429 V HA 0.745 4.866 4.120 0.001 0.000 0.298 429 V C -0.945 175.206 176.094 0.095 0.000 1.031 429 V CA -0.274 61.997 62.300 -0.048 0.000 0.871 429 V CB 0.743 32.401 31.823 -0.276 0.000 0.988 429 V HN 0.903 nan 8.190 nan 0.000 0.432 430 F N 1.187 121.008 119.950 -0.216 0.000 2.654 430 F HA 0.658 5.186 4.527 0.001 0.000 0.314 430 F C -0.808 174.909 175.800 -0.138 0.000 1.116 430 F CA -1.075 56.874 58.000 -0.084 0.000 1.017 430 F CB 1.305 40.306 39.000 0.002 0.000 1.285 430 F HN 0.515 nan 8.300 nan 0.000 0.448 431 E N 3.434 123.723 120.200 0.148 0.000 2.313 431 E HA 0.659 5.010 4.350 0.001 0.000 0.272 431 E C -0.852 175.859 176.600 0.185 0.000 1.038 431 E CA -0.780 55.657 56.400 0.062 0.000 0.863 431 E CB 1.222 31.076 29.700 0.257 0.000 1.060 431 E HN 0.869 nan 8.360 nan 0.000 0.402 432 R N 2.896 123.466 120.500 0.117 0.000 2.707 432 R HA 0.229 4.569 4.340 0.001 0.000 0.272 432 R C -1.544 174.840 176.300 0.139 0.000 1.011 432 R CA -0.984 55.216 56.100 0.166 0.000 0.893 432 R CB 0.514 30.915 30.300 0.170 0.000 1.233 432 R HN 0.552 nan 8.270 nan 0.000 0.464 433 Y N 1.797 122.133 120.300 0.060 0.000 2.465 433 Y HA 0.418 4.968 4.550 0.001 0.000 0.331 433 Y C -0.432 175.472 175.900 0.005 0.000 1.102 433 Y CA 0.188 58.308 58.100 0.034 0.000 1.358 433 Y CB 1.138 39.613 38.460 0.024 0.000 1.213 433 Y HN 0.822 nan 8.280 nan 0.000 0.525 434 A N 5.695 128.117 122.820 -0.663 0.000 2.956 434 A HA 0.617 4.937 4.320 0.001 0.000 0.294 434 A C 0.710 177.895 177.584 -0.665 0.000 0.993 434 A CA 0.083 51.813 52.037 -0.512 0.000 1.032 434 A CB -0.855 17.963 19.000 -0.303 0.000 1.129 434 A HN 1.711 nan 8.150 nan 0.000 0.505 435 G N 0.818 108.843 108.800 -1.290 0.000 2.741 435 G HA2 -0.125 3.836 3.960 0.001 0.000 0.222 435 G HA3 -0.125 3.836 3.960 0.001 0.000 0.222 435 G C -3.027 171.606 174.900 -0.444 0.000 1.364 435 G CA -0.365 44.360 45.100 -0.625 0.000 0.866 435 G HN 0.517 nan 8.290 nan 0.000 0.555 436 P HA 0.320 nan 4.420 nan 0.000 0.281 436 P C 0.447 177.682 177.300 -0.108 0.000 1.252 436 P CA -0.052 63.005 63.100 -0.072 0.000 0.778 436 P CB 1.790 33.492 31.700 0.003 0.000 0.895 437 E N 4.258 124.357 120.200 -0.169 0.000 2.077 437 E HA -0.149 4.202 4.350 0.001 0.000 0.193 437 E C -0.029 176.535 176.600 -0.060 0.000 0.989 437 E CA 1.800 58.102 56.400 -0.163 0.000 0.800 437 E CB -0.389 29.142 29.700 -0.282 0.000 0.746 437 E HN 0.574 nan 8.360 nan 0.000 0.452 438 Y N -2.910 117.394 120.300 0.007 0.000 2.641 438 Y HA 0.643 5.193 4.550 0.001 0.000 0.333 438 Y C -1.261 174.656 175.900 0.028 0.000 1.174 438 Y CA -1.795 56.312 58.100 0.012 0.000 1.057 438 Y CB 0.584 39.046 38.460 0.002 0.000 1.322 438 Y HN -0.118 nan 8.280 nan 0.000 0.457 439 K N 1.323 121.936 120.400 0.355 0.000 2.542 439 K HA 0.555 4.875 4.320 0.001 0.000 0.259 439 K C -2.596 174.156 176.600 0.254 0.000 0.932 439 K CA -0.850 55.590 56.287 0.255 0.000 0.820 439 K CB 1.984 34.566 32.500 0.138 0.000 1.345 439 K HN 1.018 nan 8.250 nan 0.000 0.432 440 H N 2.100 121.226 119.070 0.094 0.000 3.277 440 H HA 0.202 4.758 4.556 0.001 0.000 0.329 440 H C -1.739 173.610 175.328 0.035 0.000 1.034 440 H CA -0.338 55.736 56.048 0.042 0.000 1.530 440 H CB 1.572 31.338 29.762 0.008 0.000 1.837 440 H HN 0.524 nan 8.280 nan 0.000 0.493 441 Q N 3.572 123.117 119.800 -0.425 0.000 2.771 441 Q HA 0.230 4.570 4.340 0.001 0.000 0.239 441 Q C -0.635 175.050 176.000 -0.524 0.000 1.231 441 Q CA -0.647 54.954 55.803 -0.336 0.000 1.056 441 Q CB 0.271 28.923 28.738 -0.143 0.000 1.284 441 Q HN 0.550 nan 8.270 nan 0.000 0.558 442 E N 2.418 122.239 120.200 -0.631 0.000 2.414 442 E HA 0.014 4.365 4.350 0.001 0.000 0.263 442 E C -0.524 175.982 176.600 -0.157 0.000 1.000 442 E CA 0.067 56.245 56.400 -0.370 0.000 0.914 442 E CB 0.489 30.119 29.700 -0.117 0.000 0.948 442 E HN 0.714 nan 8.360 nan 0.000 0.444 443 M N 3.916 123.468 119.600 -0.080 0.000 2.260 443 M HA 0.072 4.552 4.480 0.001 0.000 0.348 443 M C 0.955 177.236 176.300 -0.031 0.000 1.342 443 M CA 1.619 56.894 55.300 -0.043 0.000 1.040 443 M CB -0.078 32.513 32.600 -0.014 0.000 1.810 443 M HN 0.834 nan 8.290 nan 0.000 0.453 444 G N 2.805 111.586 108.800 -0.030 0.000 2.187 444 G HA2 -0.215 3.745 3.960 0.001 0.000 0.261 444 G HA3 -0.215 3.745 3.960 0.001 0.000 0.261 444 G C -0.183 174.703 174.900 -0.023 0.000 1.000 444 G CA 0.171 45.258 45.100 -0.022 0.000 0.718 444 G HN 0.652 nan 8.290 nan 0.000 0.519 445 Q N -0.620 119.158 119.800 -0.036 0.000 2.378 445 Q HA 0.563 4.904 4.340 0.001 0.000 0.276 445 Q C -2.527 173.450 176.000 -0.038 0.000 1.083 445 Q CA -2.019 53.765 55.803 -0.033 0.000 0.856 445 Q CB 1.192 29.911 28.738 -0.033 0.000 1.383 445 Q HN 0.162 nan 8.270 nan 0.000 0.458 446 P HA 0.084 nan 4.420 nan 0.000 0.271 446 P C -0.338 176.946 177.300 -0.026 0.000 1.216 446 P CA -0.274 62.815 63.100 -0.019 0.000 0.771 446 P CB 0.422 32.118 31.700 -0.008 0.000 0.864 447 N N 1.895 120.580 118.700 -0.024 0.000 2.416 447 N HA 0.144 4.885 4.740 0.001 0.000 0.246 447 N C -1.107 174.410 175.510 0.011 0.000 1.260 447 N CA 0.100 53.137 53.050 -0.022 0.000 0.897 447 N CB 0.330 38.809 38.487 -0.013 0.000 1.110 447 N HN 0.024 nan 8.380 nan 0.000 0.439 448 V N 2.058 121.993 119.914 0.035 0.000 2.376 448 V HA 0.484 4.604 4.120 0.001 0.000 0.287 448 V C -0.610 175.567 176.094 0.138 0.000 1.015 448 V CA -0.513 61.847 62.300 0.101 0.000 0.834 448 V CB 0.873 32.775 31.823 0.132 0.000 1.001 448 V HN 0.738 nan 8.190 nan 0.000 0.428 449 S N 2.644 118.406 115.700 0.104 0.000 2.546 449 S HA 0.844 5.315 4.470 0.001 0.000 0.274 449 S C -0.325 174.253 174.600 -0.036 0.000 1.121 449 S CA -0.658 57.578 58.200 0.060 0.000 0.887 449 S CB 2.387 65.608 63.200 0.035 0.000 1.094 449 S HN 0.945 nan 8.310 nan 0.000 0.474 450 T N -0.594 113.848 114.554 -0.188 0.000 2.909 450 T HA 0.679 5.029 4.350 0.001 0.000 0.299 450 T C -0.982 173.604 174.700 -0.189 0.000 1.073 450 T CA -1.011 60.924 62.100 -0.275 0.000 0.999 450 T CB 1.522 70.061 68.868 -0.549 0.000 1.098 450 T HN 0.662 nan 8.240 nan 0.000 0.477 451 E N 1.856 122.006 120.200 -0.084 0.000 2.277 451 E HA 0.450 4.801 4.350 0.001 0.000 0.274 451 E C -0.254 176.299 176.600 -0.079 0.000 1.022 451 E CA -1.148 55.254 56.400 0.004 0.000 0.853 451 E CB 1.527 31.351 29.700 0.205 0.000 1.086 451 E HN 0.706 nan 8.360 nan 0.000 0.397 452 R N 1.826 122.233 120.500 -0.156 0.000 2.349 452 R HA 0.273 4.614 4.340 0.001 0.000 0.299 452 R C -0.747 175.501 176.300 -0.087 0.000 1.027 452 R CA -0.663 55.359 56.100 -0.130 0.000 0.958 452 R CB 0.785 30.988 30.300 -0.162 0.000 1.047 452 R HN 0.469 nan 8.270 nan 0.000 0.468 453 R N 2.851 123.382 120.500 0.052 0.000 2.561 453 R HA 0.321 4.661 4.340 0.001 0.000 0.297 453 R C -1.089 175.375 176.300 0.272 0.000 0.969 453 R CA -0.704 55.508 56.100 0.187 0.000 0.879 453 R CB 2.001 32.492 30.300 0.318 0.000 1.178 453 R HN 0.748 nan 8.270 nan 0.000 0.445 454 E N 1.755 122.019 120.200 0.107 0.000 2.222 454 E HA 0.345 4.696 4.350 0.001 0.000 0.267 454 E C -0.906 175.489 176.600 -0.342 0.000 0.884 454 E CA -1.055 55.296 56.400 -0.083 0.000 0.764 454 E CB 2.587 32.091 29.700 -0.326 0.000 1.169 454 E HN 0.101 nan 8.360 nan 0.000 0.413 455 L N 3.662 124.462 121.223 -0.705 0.000 2.262 455 L HA 0.330 4.670 4.340 0.001 0.000 0.288 455 L C -1.349 175.174 176.870 -0.579 0.000 1.035 455 L CA -0.536 53.711 54.840 -0.988 0.000 0.820 455 L CB 1.050 42.081 42.059 -1.712 0.000 1.204 455 L HN 0.307 nan 8.230 nan 0.000 0.424 456 V N 5.703 125.169 119.914 -0.747 0.000 2.472 456 V HA 0.472 4.592 4.120 0.001 0.000 0.290 456 V C -0.252 175.479 176.094 -0.606 0.000 1.037 456 V CA -0.726 61.120 62.300 -0.757 0.000 0.908 456 V CB 1.746 32.828 31.823 -1.235 0.000 0.985 456 V HN 0.447 nan 8.190 nan 0.000 0.454 457 V N 5.646 125.435 119.914 -0.209 0.000 2.313 457 V HA 0.491 4.612 4.120 0.001 0.000 0.278 457 V C 0.090 176.292 176.094 0.181 0.000 1.017 457 V CA -0.560 61.747 62.300 0.012 0.000 0.823 457 V CB 1.201 33.086 31.823 0.103 0.000 1.010 457 V HN 0.888 nan 8.190 nan 0.000 0.443 458 R N 3.925 124.573 120.500 0.247 0.000 2.445 458 R HA 0.558 4.898 4.340 0.001 0.000 0.308 458 R C -1.760 174.827 176.300 0.479 0.000 0.961 458 R CA -0.591 55.748 56.100 0.398 0.000 0.862 458 R CB 1.673 32.258 30.300 0.475 0.000 1.144 458 R HN 0.664 nan 8.270 nan 0.000 0.447 459 W N 6.796 128.288 121.300 0.320 0.000 2.883 459 W HA 0.539 5.199 4.660 0.001 0.000 0.335 459 W C -1.821 174.892 176.519 0.324 0.000 1.083 459 W CA -0.800 56.717 57.345 0.287 0.000 1.233 459 W CB 1.105 30.726 29.460 0.269 0.000 1.412 459 W HN 0.426 nan 8.180 nan 0.000 0.490 460 I N 5.341 125.708 120.570 -0.338 0.000 2.474 460 I HA 0.450 4.620 4.170 0.001 0.000 0.294 460 I C -0.215 175.502 176.117 -0.667 0.000 1.005 460 I CA -0.991 60.056 61.300 -0.422 0.000 1.113 460 I CB 1.937 39.835 38.000 -0.170 0.000 1.289 460 I HN 0.373 nan 8.210 nan 0.000 0.436 461 S N 3.406 118.777 115.700 -0.549 0.000 2.571 461 S HA 0.586 5.057 4.470 0.001 0.000 0.284 461 S C -0.754 173.784 174.600 -0.104 0.000 1.128 461 S CA -0.344 57.669 58.200 -0.311 0.000 0.970 461 S CB 1.532 64.529 63.200 -0.338 0.000 1.039 461 S HN 0.593 nan 8.310 nan 0.000 0.485 462 T N 3.929 118.442 114.554 -0.068 0.000 2.770 462 T HA 0.554 4.905 4.350 0.001 0.000 0.283 462 T C -0.908 173.783 174.700 -0.015 0.000 0.988 462 T CA -0.507 61.538 62.100 -0.092 0.000 0.957 462 T CB 1.192 69.994 68.868 -0.109 0.000 0.930 462 T HN 0.464 nan 8.240 nan 0.000 0.443 463 V N 3.136 123.034 119.914 -0.026 0.000 2.380 463 V HA 0.715 4.835 4.120 0.001 0.000 0.286 463 V C 1.046 177.085 176.094 -0.093 0.000 1.015 463 V CA -0.092 62.203 62.300 -0.008 0.000 0.834 463 V CB 0.368 32.220 31.823 0.049 0.000 1.009 463 V HN 1.214 nan 8.190 nan 0.000 0.428 464 G N 5.636 114.445 108.800 0.015 0.000 2.574 464 G HA2 -0.288 3.672 3.960 0.001 0.000 0.301 464 G HA3 -0.288 3.672 3.960 0.001 0.000 0.301 464 G C 0.258 175.131 174.900 -0.044 0.000 1.166 464 G CA 0.540 45.726 45.100 0.143 0.000 0.971 464 G HN 0.982 nan 8.290 nan 0.000 0.542 468 Y N 1.451 121.602 120.300 -0.247 0.000 2.341 468 Y HA 0.647 5.198 4.550 0.001 0.000 0.337 468 Y C 0.113 175.732 175.900 -0.467 0.000 1.014 468 Y CA -0.878 57.002 58.100 -0.367 0.000 1.111 468 Y CB 1.143 39.525 38.460 -0.130 0.000 1.194 468 Y HN 0.245 nan 8.280 nan 0.000 0.462 469 I N 4.322 124.598 120.570 -0.491 0.000 2.406 469 I HA 0.414 4.585 4.170 0.001 0.000 0.290 469 I C -1.297 174.547 176.117 -0.456 0.000 0.999 469 I CA -0.616 60.480 61.300 -0.339 0.000 1.124 469 I CB 1.096 38.952 38.000 -0.241 0.000 1.289 469 I HN 0.302 nan 8.210 nan 0.000 0.441 470 F N 3.504 123.569 119.950 0.191 0.000 2.449 470 F HA 0.465 4.992 4.527 0.001 0.000 0.342 470 F C -0.308 175.690 175.800 0.330 0.000 1.127 470 F CA -0.740 57.433 58.000 0.289 0.000 0.975 470 F CB 1.373 40.700 39.000 0.545 0.000 1.146 470 F HN 0.340 nan 8.300 nan 0.000 0.444 471 D N 2.450 123.017 120.400 0.279 0.000 2.391 471 D HA 0.259 4.900 4.640 0.001 0.000 0.245 471 D C -1.361 174.850 176.300 -0.148 0.000 1.069 471 D CA -0.285 53.797 54.000 0.138 0.000 0.831 471 D CB 1.280 42.099 40.800 0.031 0.000 1.204 471 D HN 0.340 nan 8.370 nan 0.000 0.503 472 W N 2.813 124.018 121.300 -0.158 0.000 2.278 472 W HA 0.471 5.132 4.660 0.001 0.000 0.317 472 W C -0.183 176.027 176.519 -0.515 0.000 1.030 472 W CA -0.633 56.482 57.345 -0.384 0.000 1.334 472 W CB 0.413 29.661 29.460 -0.353 0.000 1.215 472 W HN 0.144 nan 8.180 nan 0.000 0.405 473 I N 4.252 124.550 120.570 -0.454 0.000 2.307 473 I HA 0.285 4.455 4.170 0.001 0.000 0.289 473 I C -0.706 175.136 176.117 -0.459 0.000 1.021 473 I CA -0.788 60.272 61.300 -0.400 0.000 1.224 473 I CB 0.295 38.128 38.000 -0.279 0.000 1.376 473 I HN 0.090 nan 8.210 nan 0.000 0.470 474 F N 4.842 124.600 119.950 -0.320 0.000 2.390 474 F HA 0.332 4.860 4.527 0.001 0.000 0.361 474 F C 0.919 176.810 175.800 0.152 0.000 1.124 474 F CA -0.384 57.415 58.000 -0.335 0.000 1.149 474 F CB 0.131 38.634 39.000 -0.829 0.000 1.160 474 F HN 0.405 nan 8.300 nan 0.000 0.501 475 H N 2.514 121.800 119.070 0.360 0.000 2.610 475 H HA 0.044 4.601 4.556 0.001 0.000 0.336 475 H C 1.059 176.873 175.328 0.810 0.000 1.087 475 H CA -0.293 56.025 56.048 0.450 0.000 1.405 475 H CB 1.484 31.400 29.762 0.257 0.000 1.460 475 H HN 0.738 nan 8.280 nan 0.000 0.538 476 E N 3.022 123.651 120.200 0.715 0.000 2.209 476 E HA -0.197 4.153 4.350 0.001 0.000 0.196 476 E C 1.104 177.918 176.600 0.357 0.000 0.993 476 E CA 1.120 57.807 56.400 0.478 0.000 0.819 476 E CB 0.028 29.819 29.700 0.151 0.000 0.745 476 E HN 0.749 nan 8.360 nan 0.000 0.477 477 N N -1.284 117.609 118.700 0.323 0.000 2.515 477 N HA -0.018 4.723 4.740 0.001 0.000 0.191 477 N C 1.155 176.725 175.510 0.100 0.000 1.182 477 N CA 0.529 53.658 53.050 0.132 0.000 0.879 477 N CB 0.617 39.159 38.487 0.092 0.000 0.984 477 N HN 0.236 nan 8.380 nan 0.000 0.453 478 G N -0.221 108.819 108.800 0.400 0.000 2.238 478 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 478 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 478 G C 0.212 175.516 174.900 0.672 0.000 0.996 478 G CA 0.141 45.463 45.100 0.370 0.000 0.632 478 G HN 0.404 nan 8.290 nan 0.000 0.503 479 T N 1.207 116.010 114.554 0.416 0.000 2.898 479 T HA 0.597 4.948 4.350 0.001 0.000 0.301 479 T C 0.293 175.058 174.700 0.108 0.000 1.049 479 T CA 0.523 62.686 62.100 0.105 0.000 1.095 479 T CB 1.282 69.933 68.868 -0.363 0.000 0.976 479 T HN 0.349 nan 8.240 nan 0.000 0.539 480 I N 1.432 121.953 120.570 -0.081 0.000 2.499 480 I HA 0.526 4.697 4.170 0.001 0.000 0.288 480 I C 0.523 176.462 176.117 -0.297 0.000 1.048 480 I CA -0.762 60.378 61.300 -0.267 0.000 1.062 480 I CB 2.063 39.822 38.000 -0.403 0.000 1.238 480 I HN 0.694 nan 8.210 nan 0.000 0.426 481 G N 6.248 114.892 108.800 -0.260 0.000 2.420 481 G HA2 0.826 4.787 3.960 0.001 0.000 0.331 481 G HA3 0.826 4.787 3.960 0.001 0.000 0.331 481 G C -0.987 173.648 174.900 -0.441 0.000 1.168 481 G CA -0.453 44.507 45.100 -0.234 0.000 0.936 481 G HN 0.477 nan 8.290 nan 0.000 0.479 482 I N 1.623 121.894 120.570 -0.499 0.000 2.476 482 I HA 0.276 4.447 4.170 0.001 0.000 0.281 482 I C -1.337 174.467 176.117 -0.522 0.000 1.040 482 I CA -0.640 60.173 61.300 -0.811 0.000 1.094 482 I CB 2.101 39.258 38.000 -1.406 0.000 1.219 482 I HN 0.196 nan 8.210 nan 0.000 0.450 483 D N 4.838 125.033 120.400 -0.342 0.000 2.269 483 D HA 0.806 5.447 4.640 0.001 0.000 0.244 483 D C -0.608 175.706 176.300 0.023 0.000 0.992 483 D CA -0.345 53.624 54.000 -0.051 0.000 0.894 483 D CB 2.340 43.178 40.800 0.063 0.000 1.248 483 D HN 0.555 nan 8.370 nan 0.000 0.468 484 A N 0.658 123.491 122.820 0.022 0.000 2.381 484 A HA 0.745 5.066 4.320 0.001 0.000 0.299 484 A C -0.073 177.192 177.584 -0.532 0.000 1.049 484 A CA -0.642 51.127 52.037 -0.446 0.000 0.715 484 A CB 1.489 19.963 19.000 -0.877 0.000 1.222 484 A HN 0.486 nan 8.150 nan 0.000 0.428 485 G N 0.273 108.449 108.800 -1.040 0.000 2.432 485 G HA2 0.778 4.739 3.960 0.001 0.000 0.331 485 G HA3 0.778 4.739 3.960 0.001 0.000 0.331 485 G C -0.510 173.872 174.900 -0.864 0.000 1.170 485 G CA -0.051 44.104 45.100 -1.576 0.000 0.943 485 G HN 1.693 nan 8.290 nan 0.000 0.483 486 A N 0.554 122.951 122.820 -0.705 0.000 2.359 486 A HA 0.868 5.188 4.320 0.001 0.000 0.303 486 A C -0.244 177.034 177.584 -0.511 0.000 1.066 486 A CA -0.406 51.333 52.037 -0.497 0.000 0.730 486 A CB 2.031 20.776 19.000 -0.425 0.000 1.211 486 A HN 1.085 nan 8.150 nan 0.000 0.439 487 T N 0.484 114.755 114.554 -0.472 0.000 2.647 487 T HA 0.874 5.225 4.350 0.001 0.000 0.295 487 T C 0.223 174.687 174.700 -0.393 0.000 1.126 487 T CA 0.914 62.787 62.100 -0.379 0.000 1.040 487 T CB 1.228 69.890 68.868 -0.343 0.000 1.472 487 T HN 2.666 nan 8.240 nan 0.000 0.500 488 G N 0.494 109.071 108.800 -0.371 0.000 2.295 488 G HA2 0.133 4.093 3.960 0.001 0.000 0.195 488 G HA3 0.133 4.093 3.960 0.001 0.000 0.195 488 G C -1.796 172.828 174.900 -0.461 0.000 1.269 488 G CA -0.238 44.592 45.100 -0.451 0.000 1.170 488 G HN 0.835 nan 8.290 nan 0.000 0.511 489 I N 1.050 121.287 120.570 -0.555 0.000 2.569 489 I HA 0.461 4.631 4.170 0.001 0.000 0.296 489 I C 0.339 176.255 176.117 -0.335 0.000 1.028 489 I CA -0.705 60.291 61.300 -0.506 0.000 1.082 489 I CB 1.451 38.988 38.000 -0.772 0.000 1.264 489 I HN 0.624 nan 8.210 nan 0.000 0.429 490 E N 2.861 123.074 120.200 0.021 0.000 2.354 490 E HA 0.391 4.742 4.350 0.001 0.000 0.269 490 E C -0.217 176.458 176.600 0.126 0.000 1.036 490 E CA -0.434 56.040 56.400 0.123 0.000 0.876 490 E CB 1.562 31.411 29.700 0.250 0.000 1.009 490 E HN 0.698 nan 8.360 nan 0.000 0.416 491 A N 3.225 126.122 122.820 0.129 0.000 2.396 491 A HA 0.310 4.630 4.320 0.001 0.000 0.279 491 A C 0.041 177.899 177.584 0.458 0.000 1.165 491 A CA -0.460 51.758 52.037 0.302 0.000 0.824 491 A CB -0.136 19.009 19.000 0.241 0.000 1.100 491 A HN 0.372 nan 8.150 nan 0.000 0.516 492 V N 0.660 120.863 119.914 0.480 0.000 3.019 492 V HA 0.785 4.905 4.120 0.001 0.000 0.317 492 V C -0.345 176.069 176.094 0.534 0.000 1.094 492 V CA -1.094 61.404 62.300 0.331 0.000 1.000 492 V CB 1.755 33.566 31.823 -0.020 0.000 1.060 492 V HN 0.869 nan 8.190 nan 0.000 0.443 493 K N 1.872 122.453 120.400 0.302 0.000 2.274 493 K HA 0.687 5.008 4.320 0.001 0.000 0.262 493 K C 0.155 176.849 176.600 0.156 0.000 0.961 493 K CA -0.165 56.325 56.287 0.338 0.000 0.833 493 K CB 1.353 33.884 32.500 0.052 0.000 1.102 493 K HN 1.244 nan 8.250 nan 0.000 0.436 494 G N 2.731 111.634 108.800 0.172 0.000 2.378 494 G HA2 0.404 4.364 3.960 0.001 0.000 0.255 494 G HA3 0.404 4.364 3.960 0.001 0.000 0.255 494 G C -0.485 174.463 174.900 0.080 0.000 1.270 494 G CA -0.286 44.880 45.100 0.110 0.000 0.876 494 G HN 0.542 nan 8.290 nan 0.000 0.521 495 V N 0.300 120.245 119.914 0.052 0.000 3.130 495 V HA 0.609 4.730 4.120 0.001 0.000 0.310 495 V C 0.729 176.845 176.094 0.035 0.000 1.158 495 V CA -1.125 61.195 62.300 0.034 0.000 1.029 495 V CB 2.121 33.947 31.823 0.006 0.000 1.057 495 V HN 0.645 nan 8.190 nan 0.000 0.436 496 K N 1.340 121.756 120.400 0.027 0.000 2.186 496 K HA 0.412 4.732 4.320 0.001 0.000 0.202 496 K C 1.053 177.665 176.600 0.020 0.000 1.052 496 K CA 1.016 57.318 56.287 0.025 0.000 0.965 496 K CB 0.092 32.603 32.500 0.019 0.000 0.746 496 K HN 0.966 nan 8.250 nan 0.000 0.457 497 A N 1.739 124.566 122.820 0.013 0.000 2.488 497 A HA 0.011 4.331 4.320 0.001 0.000 0.249 497 A C 0.581 178.183 177.584 0.031 0.000 1.083 497 A CA 0.253 52.296 52.037 0.010 0.000 0.768 497 A CB 0.368 19.363 19.000 -0.008 0.000 1.017 497 A HN 0.181 nan 8.150 nan 0.000 0.496 498 K N 0.262 120.679 120.400 0.028 0.000 2.202 498 K HA 0.050 4.370 4.320 0.001 0.000 0.201 498 K C 0.835 177.530 176.600 0.159 0.000 1.051 498 K CA 1.464 57.780 56.287 0.048 0.000 0.977 498 K CB 0.182 32.607 32.500 -0.124 0.000 0.792 498 K HN 0.916 nan 8.250 nan 0.000 0.469 499 T N -3.117 111.476 114.554 0.064 0.000 2.865 499 T HA 0.257 4.607 4.350 0.001 0.000 0.294 499 T C 0.625 175.276 174.700 -0.081 0.000 1.119 499 T CA -0.858 61.257 62.100 0.025 0.000 1.007 499 T CB 1.271 70.177 68.868 0.064 0.000 1.225 499 T HN -0.230 nan 8.240 nan 0.000 0.515 500 M N 0.658 120.121 119.600 -0.229 0.000 2.686 500 M HA 0.052 4.533 4.480 0.001 0.000 0.246 500 M C 0.903 177.045 176.300 -0.263 0.000 1.096 500 M CA 1.013 56.164 55.300 -0.248 0.000 1.076 500 M CB -1.539 30.905 32.600 -0.259 0.000 1.504 500 M HN 0.753 nan 8.290 nan 0.000 0.524 501 H N -0.952 118.121 119.070 0.005 0.000 2.563 501 H HA 0.116 4.672 4.556 0.001 0.000 0.264 501 H C -0.004 175.322 175.328 -0.004 0.000 0.957 501 H CA -0.351 55.697 56.048 0.000 0.000 1.173 501 H CB 0.325 30.089 29.762 0.003 0.000 1.420 501 H HN 0.204 nan 8.280 nan 0.000 0.551 502 D N 1.155 121.595 120.400 0.067 0.000 2.345 502 D HA -0.049 4.592 4.640 0.001 0.000 0.247 502 D C 1.184 177.495 176.300 0.017 0.000 1.108 502 D CA -0.026 53.995 54.000 0.036 0.000 0.894 502 D CB 1.044 41.855 40.800 0.019 0.000 1.203 502 D HN 0.540 nan 8.370 nan 0.000 0.430 503 E N -0.177 120.032 120.200 0.015 0.000 2.160 503 E HA -0.225 4.126 4.350 0.001 0.000 0.195 503 E C 1.118 177.716 176.600 -0.003 0.000 0.991 503 E CA 1.324 57.727 56.400 0.006 0.000 0.810 503 E CB -0.355 29.349 29.700 0.006 0.000 0.742 503 E HN 0.470 nan 8.360 nan 0.000 0.466 504 T N -2.383 112.168 114.554 -0.005 0.000 3.107 504 T HA 0.450 4.800 4.350 0.001 0.000 0.249 504 T C 1.868 176.553 174.700 -0.025 0.000 1.096 504 T CA 0.195 62.288 62.100 -0.011 0.000 1.012 504 T CB 0.420 69.286 68.868 -0.003 0.000 0.977 504 T HN 0.288 nan 8.240 nan 0.000 0.527 505 A N 2.903 125.706 122.820 -0.028 0.000 1.884 505 A HA -0.224 4.096 4.320 0.001 0.000 0.219 505 A C 2.369 179.913 177.584 -0.067 0.000 1.197 505 A CA 2.128 54.136 52.037 -0.048 0.000 0.637 505 A CB -0.885 18.082 19.000 -0.055 0.000 0.827 505 A HN 0.506 nan 8.150 nan 0.000 0.450 506 K N -0.755 119.607 120.400 -0.064 0.000 2.044 506 K HA -0.232 4.088 4.320 0.001 0.000 0.210 506 K C 1.451 177.986 176.600 -0.109 0.000 1.049 506 K CA 2.031 58.269 56.287 -0.083 0.000 0.927 506 K CB -0.383 32.078 32.500 -0.065 0.000 0.713 506 K HN 0.542 nan 8.250 nan 0.000 0.443 507 D N 0.758 121.108 120.400 -0.084 0.000 2.149 507 D HA -0.118 4.523 4.640 0.001 0.000 0.201 507 D C 1.540 177.781 176.300 -0.099 0.000 0.972 507 D CA 0.856 54.801 54.000 -0.091 0.000 0.835 507 D CB -0.252 40.525 40.800 -0.038 0.000 0.966 507 D HN 0.248 nan 8.370 nan 0.000 0.476 508 D N 0.191 120.548 120.400 -0.071 0.000 2.182 508 D HA -0.105 4.536 4.640 0.001 0.000 0.201 508 D C 1.870 178.111 176.300 -0.099 0.000 0.986 508 D CA 1.345 55.310 54.000 -0.059 0.000 0.847 508 D CB -0.210 40.564 40.800 -0.043 0.000 0.942 508 D HN 0.317 nan 8.370 nan 0.000 0.467 509 T N -2.652 111.819 114.554 -0.138 0.000 3.134 509 T HA 0.185 4.536 4.350 0.001 0.000 0.260 509 T C 1.463 176.007 174.700 -0.260 0.000 1.027 509 T CA -0.455 61.544 62.100 -0.167 0.000 0.913 509 T CB 0.491 69.279 68.868 -0.133 0.000 1.046 509 T HN -0.028 nan 8.240 nan 0.000 0.553 510 R N 0.276 120.532 120.500 -0.408 0.000 2.152 510 R HA -0.069 4.272 4.340 0.001 0.000 0.232 510 R C 0.494 176.286 176.300 -0.847 0.000 1.117 510 R CA 1.414 57.086 56.100 -0.714 0.000 0.981 510 R CB -0.131 29.574 30.300 -0.991 0.000 0.870 510 R HN 0.575 nan 8.270 nan 0.000 0.451 511 Y N -1.708 118.516 120.300 -0.126 0.000 2.557 511 Y HA 0.485 5.036 4.550 0.001 0.000 0.247 511 Y C 0.570 176.363 175.900 -0.179 0.000 1.164 511 Y CA 0.013 58.023 58.100 -0.150 0.000 1.218 511 Y CB 1.494 39.849 38.460 -0.176 0.000 1.210 511 Y HN 0.120 nan 8.280 nan 0.000 0.529 512 G N -0.831 107.908 108.800 -0.102 0.000 2.466 512 G HA2 0.381 4.341 3.960 0.001 0.000 0.291 512 G HA3 0.381 4.341 3.960 0.001 0.000 0.291 512 G C -1.261 173.560 174.900 -0.131 0.000 1.460 512 G CA -0.918 44.109 45.100 -0.122 0.000 0.791 512 G HN -0.193 nan 8.290 nan 0.000 0.505 513 T N 0.616 115.095 114.554 -0.125 0.000 2.889 513 T HA 0.392 4.742 4.350 0.001 0.000 0.291 513 T C 0.276 174.900 174.700 -0.126 0.000 0.995 513 T CA -0.219 61.814 62.100 -0.112 0.000 1.092 513 T CB 1.550 70.367 68.868 -0.085 0.000 0.954 513 T HN 0.633 nan 8.240 nan 0.000 0.506 514 L N 5.110 126.265 121.223 -0.113 0.000 2.454 514 L HA 0.305 4.646 4.340 0.001 0.000 0.284 514 L C 0.955 177.749 176.870 -0.126 0.000 1.139 514 L CA 0.098 54.867 54.840 -0.118 0.000 0.911 514 L CB -0.579 41.428 42.059 -0.087 0.000 1.262 514 L HN 0.738 nan 8.230 nan 0.000 0.453 515 I N -0.113 120.340 120.570 -0.195 0.000 3.728 515 I HA 0.424 4.594 4.170 0.001 0.000 0.307 515 I C -0.072 175.909 176.117 -0.228 0.000 1.276 515 I CA 0.108 61.292 61.300 -0.194 0.000 1.285 515 I CB 0.075 37.946 38.000 -0.214 0.000 1.038 515 I HN 0.505 nan 8.210 nan 0.000 0.445 516 D N -0.564 119.677 120.400 -0.264 0.000 2.725 516 D HA 0.216 4.857 4.640 0.001 0.000 0.292 516 D C -0.995 175.232 176.300 -0.122 0.000 1.288 516 D CA -0.527 53.346 54.000 -0.211 0.000 0.784 516 D CB 1.113 41.818 40.800 -0.158 0.000 1.308 516 D HN -0.012 nan 8.370 nan 0.000 0.429 517 H N 1.459 120.543 119.070 0.024 0.000 3.046 517 H HA 0.178 4.734 4.556 0.001 0.000 0.303 517 H C 0.440 175.776 175.328 0.014 0.000 1.002 517 H CA 1.053 57.117 56.048 0.026 0.000 1.460 517 H CB -0.406 29.393 29.762 0.062 0.000 1.493 517 H HN 0.467 nan 8.280 nan 0.000 0.559 518 N N 0.807 119.577 118.700 0.118 0.000 2.753 518 N HA -0.203 4.538 4.740 0.001 0.000 0.251 518 N C -0.782 174.737 175.510 0.015 0.000 1.097 518 N CA 0.707 53.795 53.050 0.064 0.000 0.786 518 N CB -0.988 37.554 38.487 0.092 0.000 1.137 518 N HN 0.498 nan 8.380 nan 0.000 0.566 519 I N 0.538 121.070 120.570 -0.063 0.000 2.466 519 I HA 0.419 4.590 4.170 0.001 0.000 0.289 519 I C -0.495 175.477 176.117 -0.241 0.000 1.026 519 I CA -0.987 60.200 61.300 -0.187 0.000 1.078 519 I CB 1.983 39.763 38.000 -0.367 0.000 1.249 519 I HN -0.245 nan 8.210 nan 0.000 0.429 520 V N 4.826 124.622 119.914 -0.196 0.000 2.409 520 V HA 0.469 4.589 4.120 0.001 0.000 0.291 520 V C 0.534 176.507 176.094 -0.202 0.000 1.020 520 V CA -0.579 61.607 62.300 -0.190 0.000 0.848 520 V CB 1.791 33.528 31.823 -0.144 0.000 0.990 520 V HN 0.883 nan 8.190 nan 0.000 0.430 521 G N 2.956 111.633 108.800 -0.206 0.000 2.519 521 G HA2 0.338 4.299 3.960 0.001 0.000 0.306 521 G HA3 0.338 4.299 3.960 0.001 0.000 0.306 521 G C 0.296 175.126 174.900 -0.117 0.000 0.965 521 G CA -0.122 44.892 45.100 -0.143 0.000 1.291 521 G HN 0.635 nan 8.290 nan 0.000 0.450 522 T N 2.416 116.899 114.554 -0.118 0.000 2.934 522 T HA 0.108 4.458 4.350 0.001 0.000 0.306 522 T C 1.120 175.857 174.700 0.061 0.000 1.042 522 T CA 0.380 62.391 62.100 -0.148 0.000 1.145 522 T CB 0.558 69.097 68.868 -0.548 0.000 0.982 522 T HN 0.419 nan 8.240 nan 0.000 0.544 523 T N 5.175 119.708 114.554 -0.035 0.000 2.930 523 T HA 0.285 4.636 4.350 0.001 0.000 0.306 523 T C 0.243 174.888 174.700 -0.092 0.000 1.045 523 T CA -0.239 61.788 62.100 -0.123 0.000 1.134 523 T CB 0.046 68.831 68.868 -0.138 0.000 0.961 523 T HN 0.836 nan 8.240 nan 0.000 0.545 524 H N 0.064 118.899 119.070 -0.393 0.000 2.883 524 H HA 0.517 5.074 4.556 0.001 0.000 0.277 524 H C -1.344 173.765 175.328 -0.366 0.000 1.451 524 H CA -1.105 54.602 56.048 -0.569 0.000 1.157 524 H CB 1.014 30.018 29.762 -1.263 0.000 1.851 524 H HN 0.542 nan 8.280 nan 0.000 0.566 525 Q N -0.091 119.511 119.800 -0.330 0.000 2.484 525 Q HA 0.400 4.741 4.340 0.001 0.000 0.285 525 Q C -1.054 174.769 176.000 -0.295 0.000 1.097 525 Q CA -0.936 54.713 55.803 -0.256 0.000 0.802 525 Q CB 3.039 31.661 28.738 -0.193 0.000 1.444 525 Q HN 0.532 nan 8.270 nan 0.000 0.429 526 H N 1.114 120.132 119.070 -0.086 0.000 2.646 526 H HA 0.452 5.008 4.556 0.001 0.000 0.328 526 H C -0.835 174.234 175.328 -0.432 0.000 0.998 526 H CA -0.320 55.606 56.048 -0.204 0.000 1.225 526 H CB 1.050 30.701 29.762 -0.185 0.000 1.457 526 H HN 0.419 nan 8.280 nan 0.000 0.505 527 I N 4.692 125.063 120.570 -0.331 0.000 2.382 527 I HA 0.191 4.361 4.170 0.001 0.000 0.286 527 I C -0.868 175.104 176.117 -0.241 0.000 1.002 527 I CA -0.740 60.416 61.300 -0.239 0.000 1.135 527 I CB 0.822 38.766 38.000 -0.093 0.000 1.288 527 I HN 0.372 nan 8.210 nan 0.000 0.448 528 Y N 4.316 124.704 120.300 0.146 0.000 2.387 528 Y HA 0.450 5.001 4.550 0.001 0.000 0.336 528 Y C 0.081 175.938 175.900 -0.073 0.000 1.067 528 Y CA -0.990 57.103 58.100 -0.012 0.000 1.114 528 Y CB 1.313 39.712 38.460 -0.102 0.000 1.208 528 Y HN 0.517 nan 8.280 nan 0.000 0.458 529 N N 1.365 120.004 118.700 -0.102 0.000 2.295 529 N HA 0.570 5.311 4.740 0.001 0.000 0.293 529 N C -2.144 173.171 175.510 -0.326 0.000 1.040 529 N CA -0.466 52.557 53.050 -0.044 0.000 0.840 529 N CB 0.973 39.516 38.487 0.094 0.000 1.468 529 N HN 0.372 nan 8.380 nan 0.000 0.478 530 F N 1.374 121.453 119.950 0.215 0.000 2.458 530 F HA 0.466 4.994 4.527 0.001 0.000 0.336 530 F C 0.654 176.483 175.800 0.049 0.000 1.114 530 F CA -0.831 57.241 58.000 0.120 0.000 0.987 530 F CB 1.616 40.640 39.000 0.040 0.000 1.130 530 F HN 0.282 nan 8.300 nan 0.000 0.458 531 R N 4.771 125.307 120.500 0.060 0.000 2.215 531 R HA 0.566 4.906 4.340 0.001 0.000 0.337 531 R C -1.772 174.369 176.300 -0.265 0.000 1.010 531 R CA -0.384 55.459 56.100 -0.429 0.000 0.871 531 R CB 0.216 30.111 30.300 -0.675 0.000 1.134 531 R HN 0.781 nan 8.270 nan 0.000 0.477 532 L N 4.387 125.438 121.223 -0.286 0.000 2.324 532 L HA 0.262 4.602 4.340 0.001 0.000 0.274 532 L C -0.287 176.482 176.870 -0.170 0.000 1.012 532 L CA -0.778 53.976 54.840 -0.143 0.000 0.859 532 L CB 1.596 43.629 42.059 -0.044 0.000 1.224 532 L HN 0.464 nan 8.230 nan 0.000 0.429 533 D N 4.497 124.815 120.400 -0.138 0.000 2.608 533 D HA 0.207 4.847 4.640 0.001 0.000 0.224 533 D C -0.019 176.286 176.300 0.009 0.000 1.123 533 D CA -0.112 53.850 54.000 -0.063 0.000 1.030 533 D CB 0.130 40.916 40.800 -0.023 0.000 1.093 533 D HN 0.318 nan 8.370 nan 0.000 0.497 534 L N 1.758 122.977 121.223 -0.006 0.000 2.416 534 L HA 0.233 4.573 4.340 0.001 0.000 0.272 534 L C 0.184 177.090 176.870 0.060 0.000 1.161 534 L CA 0.014 54.858 54.840 0.006 0.000 0.845 534 L CB 0.605 42.633 42.059 -0.051 0.000 1.119 534 L HN 0.098 nan 8.230 nan 0.000 0.464 535 D N 2.334 122.799 120.400 0.109 0.000 2.404 535 D HA 0.199 4.839 4.640 0.001 0.000 0.267 535 D C -0.515 175.839 176.300 0.090 0.000 1.194 535 D CA -0.224 53.848 54.000 0.120 0.000 0.910 535 D CB 1.652 42.586 40.800 0.222 0.000 1.090 535 D HN 0.046 nan 8.370 nan 0.000 0.511 536 V N 2.544 122.518 119.914 0.099 0.000 2.364 536 V HA 0.024 4.144 4.120 0.001 0.000 0.252 536 V C 0.896 177.139 176.094 0.249 0.000 1.075 536 V CA -0.101 62.327 62.300 0.214 0.000 1.033 536 V CB 0.148 32.116 31.823 0.242 0.000 1.116 536 V HN 0.543 nan 8.190 nan 0.000 0.488 537 D N 3.436 124.015 120.400 0.298 0.000 2.911 537 D HA -0.132 4.508 4.640 0.001 0.000 0.227 537 D C 0.370 176.656 176.300 -0.024 0.000 1.164 537 D CA 1.796 55.860 54.000 0.107 0.000 0.782 537 D CB -0.973 39.789 40.800 -0.063 0.000 1.094 537 D HN 1.213 nan 8.370 nan 0.000 0.425 538 G N -1.249 107.525 108.800 -0.043 0.000 2.353 538 G HA2 0.125 4.085 3.960 0.001 0.000 0.308 538 G HA3 0.125 4.085 3.960 0.001 0.000 0.308 538 G C 0.070 174.943 174.900 -0.044 0.000 1.418 538 G CA 0.251 45.297 45.100 -0.089 0.000 0.966 538 G HN 0.087 nan 8.290 nan 0.000 0.638 539 E N -0.415 119.753 120.200 -0.054 0.000 2.072 539 E HA -0.056 4.294 4.350 0.001 0.000 0.190 539 E C 0.319 176.924 176.600 0.008 0.000 0.982 539 E CA 0.543 56.932 56.400 -0.017 0.000 0.803 539 E CB -0.071 29.614 29.700 -0.025 0.000 0.755 539 E HN 0.366 nan 8.360 nan 0.000 0.453 540 N N 2.329 121.033 118.700 0.006 0.000 2.415 540 N HA 0.122 4.862 4.740 0.001 0.000 0.246 540 N C -0.989 174.537 175.510 0.027 0.000 1.078 540 N CA 0.068 53.130 53.050 0.019 0.000 0.942 540 N CB 0.830 39.326 38.487 0.014 0.000 1.140 540 N HN 0.144 nan 8.380 nan 0.000 0.501 541 N N 0.100 118.823 118.700 0.038 0.000 2.380 541 N HA 0.468 5.208 4.740 0.001 0.000 0.290 541 N C -0.831 174.707 175.510 0.047 0.000 1.236 541 N CA -0.452 52.627 53.050 0.048 0.000 0.780 541 N CB 1.621 40.143 38.487 0.058 0.000 1.438 541 N HN 0.184 nan 8.380 nan 0.000 0.491 542 S N 0.304 116.030 115.700 0.044 0.000 2.549 542 S HA 0.496 4.967 4.470 0.001 0.000 0.280 542 S C -1.142 173.477 174.600 0.032 0.000 1.109 542 S CA -0.599 57.625 58.200 0.040 0.000 0.905 542 S CB 1.944 65.163 63.200 0.032 0.000 1.081 542 S HN 0.446 nan 8.310 nan 0.000 0.477 543 L N 3.179 124.421 121.223 0.033 0.000 2.275 543 L HA 0.734 5.075 4.340 0.001 0.000 0.288 543 L C -1.232 175.624 176.870 -0.023 0.000 1.046 543 L CA -0.117 54.733 54.840 0.016 0.000 0.805 543 L CB 0.864 42.949 42.059 0.044 0.000 1.193 543 L HN 0.457 nan 8.230 nan 0.000 0.426 544 V N 4.879 124.746 119.914 -0.078 0.000 2.540 544 V HA 0.843 4.964 4.120 0.001 0.000 0.302 544 V C 0.040 175.971 176.094 -0.273 0.000 1.035 544 V CA -0.466 61.739 62.300 -0.158 0.000 0.873 544 V CB 1.428 33.168 31.823 -0.138 0.000 0.992 544 V HN 0.993 nan 8.190 nan 0.000 0.428 545 A N 5.891 128.415 122.820 -0.493 0.000 2.324 545 A HA 0.951 5.271 4.320 0.001 0.000 0.330 545 A C -0.494 176.720 177.584 -0.617 0.000 1.165 545 A CA -0.598 51.049 52.037 -0.651 0.000 0.813 545 A CB 1.024 19.381 19.000 -1.071 0.000 1.197 545 A HN 0.832 nan 8.150 nan 0.000 0.484 546 M N 2.830 122.204 119.600 -0.377 0.000 2.031 546 M HA 0.245 4.725 4.480 0.001 0.000 0.273 546 M C -1.727 174.500 176.300 -0.120 0.000 0.904 546 M CA -0.524 54.642 55.300 -0.224 0.000 0.963 546 M CB 1.617 34.091 32.600 -0.211 0.000 1.707 546 M HN 0.535 nan 8.290 nan 0.000 0.427 547 D N 4.839 125.217 120.400 -0.037 0.000 2.329 547 D HA 0.377 5.017 4.640 0.001 0.000 0.232 547 D C -2.461 173.858 176.300 0.031 0.000 1.088 547 D CA -1.470 52.542 54.000 0.020 0.000 0.835 547 D CB 1.254 42.115 40.800 0.102 0.000 1.078 547 D HN 0.158 nan 8.370 nan 0.000 0.495 548 P HA 0.053 nan 4.420 nan 0.000 0.271 548 P C -0.485 176.830 177.300 0.025 0.000 1.233 548 P CA -0.324 62.792 63.100 0.028 0.000 0.764 548 P CB 0.732 32.449 31.700 0.028 0.000 0.825 549 V N 1.605 121.536 119.914 0.029 0.000 3.040 549 V HA 0.572 4.692 4.120 0.001 0.000 0.312 549 V C -0.496 175.610 176.094 0.020 0.000 1.115 549 V CA -1.151 61.163 62.300 0.024 0.000 0.998 549 V CB 2.319 34.159 31.823 0.029 0.000 1.042 549 V HN 0.080 nan 8.190 nan 0.000 0.433 550 V N 3.612 123.535 119.914 0.015 0.000 2.334 550 V HA 0.475 4.596 4.120 0.001 0.000 0.267 550 V C 0.195 176.296 176.094 0.011 0.000 1.040 550 V CA -0.429 61.879 62.300 0.013 0.000 0.866 550 V CB 0.520 32.349 31.823 0.010 0.000 1.019 550 V HN 0.904 nan 8.190 nan 0.000 0.468 551 K N 5.417 125.824 120.400 0.013 0.000 2.203 551 K HA 0.547 4.867 4.320 0.001 0.000 0.251 551 K C -2.854 173.751 176.600 0.009 0.000 0.944 551 K CA -2.194 54.099 56.287 0.011 0.000 0.829 551 K CB 2.099 34.608 32.500 0.014 0.000 1.125 551 K HN 0.231 nan 8.250 nan 0.000 0.430 552 P HA -0.030 nan 4.420 nan 0.000 0.268 552 P C -0.423 176.881 177.300 0.006 0.000 1.204 552 P CA -0.015 63.089 63.100 0.006 0.000 0.768 552 P CB 0.310 32.012 31.700 0.004 0.000 0.842 553 N N 1.948 120.651 118.700 0.006 0.000 2.431 553 N HA 0.025 4.765 4.740 0.001 0.000 0.265 553 N C 0.574 176.087 175.510 0.005 0.000 1.184 553 N CA 0.064 53.118 53.050 0.006 0.000 0.943 553 N CB 0.385 38.875 38.487 0.005 0.000 1.080 553 N HN 0.394 nan 8.380 nan 0.000 0.477 554 T N 0.113 114.671 114.554 0.005 0.000 3.044 554 T HA 0.223 4.573 4.350 0.001 0.000 0.260 554 T C 1.238 175.941 174.700 0.004 0.000 1.019 554 T CA -0.028 62.074 62.100 0.005 0.000 0.921 554 T CB 0.394 69.265 68.868 0.005 0.000 1.053 554 T HN 0.400 nan 8.240 nan 0.000 0.533 555 A N 0.979 123.802 122.820 0.005 0.000 2.275 555 A HA 0.698 5.018 4.320 0.001 0.000 0.212 555 A C 1.442 179.028 177.584 0.003 0.000 1.201 555 A CA 0.296 52.335 52.037 0.004 0.000 0.843 555 A CB -0.833 18.170 19.000 0.005 0.000 0.873 555 A HN 1.411 nan 8.150 nan 0.000 0.492 556 G N -2.405 106.397 108.800 0.003 0.000 2.712 556 G HA2 0.478 4.439 3.960 0.001 0.000 0.683 556 G HA3 0.478 4.439 3.960 0.001 0.000 0.683 556 G C 0.681 175.583 174.900 0.003 0.000 1.320 556 G CA -0.145 44.957 45.100 0.003 0.000 0.847 556 G HN 2.474 nan 8.290 nan 0.000 0.553 557 G N -1.064 107.737 108.800 0.002 0.000 2.685 557 G HA2 0.305 4.265 3.960 0.001 0.000 0.387 557 G HA3 0.305 4.265 3.960 0.001 0.000 0.387 557 G C -0.785 174.117 174.900 0.002 0.000 1.324 557 G CA 0.537 45.638 45.100 0.002 0.000 0.878 557 G HN 1.502 nan 8.290 nan 0.000 0.527 558 P HA 0.096 nan 4.420 nan 0.000 0.226 558 P C 0.852 178.153 177.300 0.003 0.000 1.153 558 P CA 0.458 63.559 63.100 0.002 0.000 0.777 558 P CB 0.109 31.811 31.700 0.002 0.000 0.794 559 R N 0.548 121.050 120.500 0.003 0.000 2.449 559 R HA 0.074 4.415 4.340 0.001 0.000 0.296 559 R C 1.516 177.818 176.300 0.004 0.000 1.047 559 R CA 0.618 56.720 56.100 0.004 0.000 1.018 559 R CB -0.197 30.106 30.300 0.004 0.000 0.962 559 R HN 0.204 nan 8.270 nan 0.000 0.428 560 T N -1.794 112.763 114.554 0.004 0.000 3.054 560 T HA 0.036 4.386 4.350 0.001 0.000 0.259 560 T C 0.694 175.396 174.700 0.004 0.000 1.092 560 T CA 0.533 62.635 62.100 0.004 0.000 1.121 560 T CB 0.201 69.071 68.868 0.003 0.000 0.912 560 T HN 0.512 nan 8.240 nan 0.000 0.489 561 S N 0.402 116.105 115.700 0.005 0.000 2.651 561 S HA 0.724 5.194 4.470 0.001 0.000 0.279 561 S C -0.564 174.041 174.600 0.008 0.000 1.148 561 S CA -0.428 57.776 58.200 0.006 0.000 0.837 561 S CB 1.861 65.064 63.200 0.007 0.000 1.138 561 S HN 0.689 nan 8.310 nan 0.000 0.478 562 T N -1.874 112.686 114.554 0.009 0.000 2.865 562 T HA 0.719 5.069 4.350 0.001 0.000 0.294 562 T C -0.983 173.725 174.700 0.014 0.000 1.119 562 T CA -0.959 61.148 62.100 0.011 0.000 1.007 562 T CB 1.310 70.185 68.868 0.012 0.000 1.225 562 T HN 0.654 nan 8.240 nan 0.000 0.515 563 M N 2.330 121.940 119.600 0.017 0.000 2.043 563 M HA 0.406 4.886 4.480 0.001 0.000 0.322 563 M C -0.404 175.911 176.300 0.026 0.000 0.962 563 M CA -0.509 54.804 55.300 0.021 0.000 0.927 563 M CB 1.581 34.194 32.600 0.022 0.000 1.466 563 M HN 0.614 nan 8.290 nan 0.000 0.412 564 Q N 1.331 121.148 119.800 0.029 0.000 2.572 564 Q HA 0.819 5.159 4.340 0.001 0.000 0.284 564 Q C -1.115 174.910 176.000 0.041 0.000 1.091 564 Q CA -1.237 54.586 55.803 0.034 0.000 0.840 564 Q CB 3.199 31.956 28.738 0.031 0.000 1.433 564 Q HN 0.428 nan 8.270 nan 0.000 0.471 565 V N 1.975 121.918 119.914 0.047 0.000 2.588 565 V HA 0.291 4.411 4.120 0.001 0.000 0.304 565 V C -0.879 175.252 176.094 0.061 0.000 1.042 565 V CA -0.804 61.526 62.300 0.051 0.000 0.877 565 V CB 1.789 33.645 31.823 0.054 0.000 0.996 565 V HN 0.811 nan 8.190 nan 0.000 0.425 566 N N 5.108 123.857 118.700 0.083 0.000 2.469 566 N HA 0.319 5.059 4.740 0.001 0.000 0.253 566 N C -0.736 174.889 175.510 0.192 0.000 0.970 566 N CA -0.595 52.541 53.050 0.143 0.000 0.940 566 N CB 2.174 40.742 38.487 0.134 0.000 1.128 566 N HN 0.755 nan 8.380 nan 0.000 0.503 567 Q N 2.985 122.870 119.800 0.141 0.000 2.256 567 Q HA 0.349 4.689 4.340 0.001 0.000 0.257 567 Q C -1.701 174.396 176.000 0.161 0.000 0.936 567 Q CA -0.649 55.159 55.803 0.009 0.000 0.903 567 Q CB 0.950 29.681 28.738 -0.012 0.000 1.263 567 Q HN 0.734 nan 8.270 nan 0.000 0.440 568 Y N -0.238 120.058 120.300 -0.008 0.000 2.620 568 Y HA 0.429 4.980 4.550 0.001 0.000 0.331 568 Y C -1.614 174.285 175.900 -0.002 0.000 1.173 568 Y CA -1.471 56.628 58.100 -0.002 0.000 1.076 568 Y CB 0.499 38.958 38.460 -0.001 0.000 1.336 568 Y HN 0.541 nan 8.280 nan 0.000 0.459 569 N N 1.133 119.914 118.700 0.135 0.000 2.513 569 N HA 0.540 5.281 4.740 0.001 0.000 0.274 569 N C -1.205 174.396 175.510 0.153 0.000 1.189 569 N CA -0.343 52.751 53.050 0.075 0.000 0.975 569 N CB 0.942 39.468 38.487 0.064 0.000 1.157 569 N HN 0.659 nan 8.380 nan 0.000 0.465 570 I N 0.949 121.575 120.570 0.093 0.000 2.388 570 I HA 0.263 4.433 4.170 0.001 0.000 0.281 570 I C 1.386 177.553 176.117 0.083 0.000 1.046 570 I CA -0.365 61.001 61.300 0.109 0.000 1.187 570 I CB 1.280 39.335 38.000 0.092 0.000 1.351 570 I HN 0.719 nan 8.210 nan 0.000 0.472 571 G N 5.925 114.775 108.800 0.083 0.000 2.443 571 G HA2 -0.090 3.870 3.960 0.001 0.000 0.219 571 G HA3 -0.090 3.870 3.960 0.001 0.000 0.219 571 G C 0.470 175.411 174.900 0.069 0.000 1.131 571 G CA 0.311 45.452 45.100 0.069 0.000 0.775 571 G HN 0.693 nan 8.290 nan 0.000 0.547 572 N N -1.475 117.268 118.700 0.073 0.000 2.732 572 N HA 0.163 4.903 4.740 0.001 0.000 0.259 572 N C 0.050 175.613 175.510 0.088 0.000 1.402 572 N CA -0.595 52.502 53.050 0.078 0.000 0.829 572 N CB 1.030 39.558 38.487 0.069 0.000 1.495 572 N HN -0.014 nan 8.380 nan 0.000 0.511 573 E N 0.108 120.370 120.200 0.104 0.000 2.130 573 E HA -0.219 4.131 4.350 0.001 0.000 0.196 573 E C 1.266 177.932 176.600 0.111 0.000 0.998 573 E CA 1.599 58.078 56.400 0.131 0.000 0.806 573 E CB -0.034 29.759 29.700 0.155 0.000 0.738 573 E HN 0.487 nan 8.360 nan 0.000 0.459 574 Q N 0.563 120.412 119.800 0.081 0.000 2.167 574 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 574 Q C 1.456 177.460 176.000 0.008 0.000 0.970 574 Q CA 0.969 56.800 55.803 0.046 0.000 0.855 574 Q CB -0.023 28.739 28.738 0.040 0.000 0.911 574 Q HN 0.360 nan 8.270 nan 0.000 0.438 575 D N 0.562 120.978 120.400 0.027 0.000 2.234 575 D HA -0.004 4.636 4.640 0.001 0.000 0.205 575 D C 1.680 177.991 176.300 0.019 0.000 0.962 575 D CA 0.928 54.941 54.000 0.023 0.000 0.855 575 D CB 0.066 40.895 40.800 0.048 0.000 0.951 575 D HN 0.186 nan 8.370 nan 0.000 0.500 576 A N 0.981 123.823 122.820 0.037 0.000 2.014 576 A HA 0.164 4.484 4.320 0.001 0.000 0.218 576 A C 1.521 179.083 177.584 -0.036 0.000 1.163 576 A CA 0.859 52.924 52.037 0.047 0.000 0.652 576 A CB -0.279 18.787 19.000 0.110 0.000 0.808 576 A HN 0.171 nan 8.150 nan 0.000 0.449 577 A N 0.931 123.669 122.820 -0.137 0.000 2.457 577 A HA 0.496 4.816 4.320 0.001 0.000 0.298 577 A C 0.211 177.500 177.584 -0.492 0.000 1.288 577 A CA -0.084 51.632 52.037 -0.536 0.000 0.956 577 A CB -0.595 18.016 19.000 -0.648 0.000 1.135 577 A HN 0.693 nan 8.150 nan 0.000 0.535 578 Q N 1.645 121.182 119.800 -0.438 0.000 2.693 578 Q HA 0.548 4.888 4.340 0.001 0.000 0.306 578 Q C -1.204 174.712 176.000 -0.140 0.000 0.969 578 Q CA -1.354 54.311 55.803 -0.231 0.000 0.757 578 Q CB 0.946 29.639 28.738 -0.076 0.000 1.494 578 Q HN 0.308 nan 8.270 nan 0.000 0.459 579 K N 0.703 121.073 120.400 -0.051 0.000 2.185 579 K HA 0.370 4.691 4.320 0.001 0.000 0.271 579 K C -1.121 175.553 176.600 0.122 0.000 1.013 579 K CA -0.245 56.058 56.287 0.027 0.000 0.943 579 K CB 0.625 33.128 32.500 0.004 0.000 0.998 579 K HN 0.578 nan 8.250 nan 0.000 0.468 580 F N 2.042 121.999 119.950 0.012 0.000 2.411 580 F HA 0.165 4.692 4.527 0.001 0.000 0.352 580 F C -0.232 175.600 175.800 0.052 0.000 1.123 580 F CA -1.150 56.876 58.000 0.044 0.000 1.044 580 F CB 1.086 40.140 39.000 0.089 0.000 1.135 580 F HN 0.354 nan 8.300 nan 0.000 0.461 581 D N 8.678 128.698 120.400 -0.633 0.000 2.359 581 D HA 0.289 4.930 4.640 0.001 0.000 0.230 581 D C -1.765 173.917 176.300 -1.030 0.000 1.118 581 D CA -2.571 51.102 54.000 -0.546 0.000 0.844 581 D CB 1.827 42.452 40.800 -0.292 0.000 1.059 581 D HN 0.294 nan 8.370 nan 0.000 0.493 582 P HA -0.028 nan 4.420 nan 0.000 0.228 582 P C 1.097 178.280 177.300 -0.194 0.000 1.151 582 P CA 0.457 63.330 63.100 -0.378 0.000 0.770 582 P CB 0.299 32.098 31.700 0.165 0.000 0.786 583 G N -0.282 108.399 108.800 -0.197 0.000 2.813 583 G HA2 -0.001 3.959 3.960 0.001 0.000 0.209 583 G HA3 -0.001 3.959 3.960 0.001 0.000 0.209 583 G C 0.699 175.540 174.900 -0.098 0.000 1.150 583 G CA 0.559 45.602 45.100 -0.094 0.000 0.785 583 G HN 0.446 nan 8.290 nan 0.000 0.535 584 T N -1.771 112.669 114.554 -0.191 0.000 2.949 584 T HA 0.720 5.071 4.350 0.001 0.000 0.287 584 T C -0.586 174.075 174.700 -0.065 0.000 1.034 584 T CA -0.873 61.146 62.100 -0.136 0.000 1.018 584 T CB 2.296 71.070 68.868 -0.157 0.000 1.135 584 T HN -0.079 nan 8.240 nan 0.000 0.532 585 I N 1.369 121.903 120.570 -0.061 0.000 2.436 585 I HA 0.492 4.663 4.170 0.001 0.000 0.289 585 I C -0.089 175.954 176.117 -0.122 0.000 1.010 585 I CA -0.951 60.291 61.300 -0.098 0.000 1.098 585 I CB 1.728 39.543 38.000 -0.309 0.000 1.266 585 I HN 0.402 nan 8.210 nan 0.000 0.434 586 R N 7.360 127.841 120.500 -0.032 0.000 2.388 586 R HA 0.610 4.950 4.340 0.001 0.000 0.314 586 R C -1.204 175.024 176.300 -0.120 0.000 0.959 586 R CA -0.658 55.413 56.100 -0.048 0.000 0.851 586 R CB 1.589 31.948 30.300 0.097 0.000 1.168 586 R HN 0.567 nan 8.270 nan 0.000 0.472 587 L N 3.112 124.220 121.223 -0.190 0.000 2.331 587 L HA 0.543 4.884 4.340 0.001 0.000 0.275 587 L C -0.198 176.640 176.870 -0.053 0.000 1.022 587 L CA -1.300 53.442 54.840 -0.163 0.000 0.812 587 L CB 1.509 43.395 42.059 -0.289 0.000 1.257 587 L HN 0.238 nan 8.230 nan 0.000 0.435 588 L N 1.931 123.166 121.223 0.020 0.000 2.295 588 L HA 0.438 4.778 4.340 0.001 0.000 0.281 588 L C -0.325 176.599 176.870 0.091 0.000 1.018 588 L CA 0.403 55.278 54.840 0.057 0.000 0.841 588 L CB 1.107 43.210 42.059 0.073 0.000 1.218 588 L HN 0.542 nan 8.230 nan 0.000 0.424 589 S N 3.206 118.945 115.700 0.064 0.000 2.638 589 S HA 0.497 4.967 4.470 0.001 0.000 0.298 589 S C -0.498 174.147 174.600 0.076 0.000 1.111 589 S CA -0.746 57.503 58.200 0.082 0.000 1.027 589 S CB 1.383 64.611 63.200 0.045 0.000 1.064 589 S HN 0.618 nan 8.310 nan 0.000 0.525 590 N N 2.422 121.168 118.700 0.076 0.000 2.546 590 N HA 0.291 5.031 4.740 0.001 0.000 0.238 590 N C -1.999 173.526 175.510 0.025 0.000 0.984 590 N CA -2.184 50.894 53.050 0.046 0.000 0.935 590 N CB 1.312 39.823 38.487 0.040 0.000 1.122 590 N HN 0.213 nan 8.380 nan 0.000 0.510 591 P HA -0.004 nan 4.420 nan 0.000 0.230 591 P C -0.137 177.166 177.300 0.004 0.000 1.158 591 P CA 0.905 64.014 63.100 0.015 0.000 0.769 591 P CB 0.326 32.038 31.700 0.019 0.000 0.807 592 N N -0.536 118.163 118.700 -0.002 0.000 2.353 592 N HA 0.052 4.792 4.740 0.001 0.000 0.185 592 N C 0.184 175.677 175.510 -0.029 0.000 1.098 592 N CA 0.310 53.352 53.050 -0.013 0.000 0.872 592 N CB 0.052 38.530 38.487 -0.014 0.000 0.970 592 N HN 0.137 nan 8.380 nan 0.000 0.467 593 K N 0.598 120.976 120.400 -0.037 0.000 2.535 593 K HA 0.324 4.644 4.320 0.001 0.000 0.250 593 K C -1.068 175.489 176.600 -0.072 0.000 0.948 593 K CA -0.470 55.777 56.287 -0.066 0.000 0.796 593 K CB 2.390 34.830 32.500 -0.100 0.000 1.216 593 K HN 0.024 nan 8.250 nan 0.000 0.432 594 E N 1.088 121.243 120.200 -0.075 0.000 2.281 594 E HA 0.181 4.531 4.350 0.001 0.000 0.262 594 E C -0.701 175.841 176.600 -0.097 0.000 0.933 594 E CA -0.956 55.403 56.400 -0.069 0.000 0.809 594 E CB 1.846 31.523 29.700 -0.038 0.000 1.242 594 E HN 0.640 nan 8.360 nan 0.000 0.418 595 N N -0.072 118.576 118.700 -0.087 0.000 2.366 595 N HA 0.116 4.857 4.740 0.001 0.000 0.277 595 N C 0.852 176.326 175.510 -0.060 0.000 1.275 595 N CA -0.716 52.278 53.050 -0.093 0.000 0.964 595 N CB 0.963 39.397 38.487 -0.088 0.000 1.167 595 N HN 0.336 nan 8.380 nan 0.000 0.568 596 R N -0.953 119.518 120.500 -0.049 0.000 2.170 596 R HA -0.100 4.241 4.340 0.001 0.000 0.242 596 R C 0.784 177.065 176.300 -0.031 0.000 1.145 596 R CA 1.549 57.627 56.100 -0.037 0.000 0.984 596 R CB -0.162 30.119 30.300 -0.030 0.000 0.869 596 R HN 0.633 nan 8.270 nan 0.000 0.455 597 M N -0.909 118.672 119.600 -0.031 0.000 2.431 597 M HA 0.244 4.724 4.480 0.001 0.000 0.237 597 M C 0.757 177.048 176.300 -0.015 0.000 1.130 597 M CA 0.463 55.749 55.300 -0.024 0.000 1.002 597 M CB 1.027 33.610 32.600 -0.028 0.000 1.524 597 M HN 0.302 nan 8.290 nan 0.000 0.482 598 G N 0.908 109.697 108.800 -0.018 0.000 2.160 598 G HA2 -0.296 3.664 3.960 0.001 0.000 0.251 598 G HA3 -0.296 3.664 3.960 0.001 0.000 0.251 598 G C -0.080 174.819 174.900 -0.001 0.000 1.008 598 G CA -0.013 45.080 45.100 -0.012 0.000 0.724 598 G HN 0.539 nan 8.290 nan 0.000 0.514 599 N N 1.416 120.116 118.700 0.001 0.000 2.419 599 N HA 0.490 5.230 4.740 0.001 0.000 0.277 599 N C -2.615 172.908 175.510 0.022 0.000 1.006 599 N CA -1.858 51.208 53.050 0.026 0.000 0.923 599 N CB 1.612 40.121 38.487 0.037 0.000 1.140 599 N HN -0.028 nan 8.380 nan 0.000 0.488 600 P HA -0.074 nan 4.420 nan 0.000 0.261 600 P C -0.280 177.053 177.300 0.055 0.000 1.183 600 P CA -0.200 62.920 63.100 0.033 0.000 0.761 600 P CB 0.273 31.999 31.700 0.042 0.000 0.785 601 V N 1.991 121.905 119.914 -0.000 0.000 2.493 601 V HA 0.319 4.439 4.120 0.001 0.000 0.292 601 V C 0.028 176.242 176.094 0.201 0.000 1.016 601 V CA 0.404 62.708 62.300 0.006 0.000 1.097 601 V CB -0.482 31.180 31.823 -0.268 0.000 0.947 601 V HN 0.469 nan 8.190 nan 0.000 0.479 602 S N 3.546 119.429 115.700 0.305 0.000 2.697 602 S HA 0.805 5.275 4.470 0.001 0.000 0.289 602 S C -1.378 173.400 174.600 0.295 0.000 1.149 602 S CA -0.518 57.868 58.200 0.311 0.000 0.850 602 S CB 1.742 65.063 63.200 0.202 0.000 1.151 602 S HN 0.738 nan 8.310 nan 0.000 0.491 603 Y N 1.374 121.740 120.300 0.110 0.000 2.391 603 Y HA 0.441 4.991 4.550 0.001 0.000 0.341 603 Y C -0.019 175.893 175.900 0.021 0.000 0.965 603 Y CA -0.564 57.566 58.100 0.050 0.000 1.067 603 Y CB 1.763 40.202 38.460 -0.036 0.000 1.199 603 Y HN 0.607 nan 8.280 nan 0.000 0.450 604 Q N 4.157 124.037 119.800 0.134 0.000 2.274 604 Q HA 0.542 4.883 4.340 0.001 0.000 0.256 604 Q C -1.402 174.632 176.000 0.056 0.000 0.927 604 Q CA -0.477 55.350 55.803 0.040 0.000 0.939 604 Q CB 0.734 29.527 28.738 0.092 0.000 1.201 604 Q HN 0.715 nan 8.270 nan 0.000 0.426 605 I N 5.671 126.239 120.570 -0.003 0.000 2.321 605 I HA 0.306 4.476 4.170 0.001 0.000 0.291 605 I C -0.417 175.580 176.117 -0.199 0.000 0.998 605 I CA -0.370 60.892 61.300 -0.064 0.000 1.227 605 I CB 1.082 39.053 38.000 -0.049 0.000 1.368 605 I HN 0.560 nan 8.210 nan 0.000 0.466 606 I N 8.291 128.719 120.570 -0.236 0.000 2.537 606 I HA 0.264 4.435 4.170 0.001 0.000 0.276 606 I C -1.933 173.968 176.117 -0.359 0.000 1.063 606 I CA -1.450 59.623 61.300 -0.378 0.000 1.144 606 I CB 1.413 39.365 38.000 -0.081 0.000 1.252 606 I HN 0.347 nan 8.210 nan 0.000 0.480 607 P HA -0.129 nan 4.420 nan 0.000 0.225 607 P C -0.182 177.167 177.300 0.082 0.000 1.156 607 P CA 1.079 64.070 63.100 -0.182 0.000 0.787 607 P CB 0.079 31.674 31.700 -0.174 0.000 0.802 608 Y N 0.163 120.438 120.300 -0.041 0.000 2.686 608 Y HA 0.620 5.171 4.550 0.001 0.000 0.331 608 Y C 0.138 176.173 175.900 0.225 0.000 0.996 608 Y CA -1.611 56.608 58.100 0.199 0.000 1.293 608 Y CB 0.385 39.067 38.460 0.370 0.000 1.092 608 Y HN -0.159 nan 8.280 nan 0.000 0.524 609 A N 3.414 126.022 122.820 -0.354 0.000 2.535 609 A HA 0.694 5.015 4.320 0.001 0.000 0.273 609 A C 0.839 178.243 177.584 -0.299 0.000 1.267 609 A CA 0.255 52.130 52.037 -0.271 0.000 0.940 609 A CB -0.636 18.320 19.000 -0.074 0.000 1.101 609 A HN 1.407 nan 8.150 nan 0.000 0.521 610 G N -2.128 106.191 108.800 -0.803 0.000 2.479 610 G HA2 0.507 4.468 3.960 0.001 0.000 0.686 610 G HA3 0.507 4.468 3.960 0.001 0.000 0.686 610 G C -0.148 174.732 174.900 -0.033 0.000 1.295 610 G CA -0.357 44.571 45.100 -0.287 0.000 0.922 610 G HN 1.960 nan 8.290 nan 0.000 0.582 611 G N -2.356 106.512 108.800 0.114 0.000 2.523 611 G HA2 0.761 4.722 3.960 0.001 0.000 0.291 611 G HA3 0.761 4.722 3.960 0.001 0.000 0.291 611 G C 0.508 175.494 174.900 0.144 0.000 1.450 611 G CA 0.982 46.113 45.100 0.051 0.000 0.790 611 G HN 2.067 nan 8.290 nan 0.000 0.496 612 T N -2.902 111.712 114.554 0.100 0.000 3.040 612 T HA 0.315 4.666 4.350 0.001 0.000 0.250 612 T C 0.612 175.369 174.700 0.095 0.000 1.058 612 T CA 0.516 62.669 62.100 0.089 0.000 0.988 612 T CB -0.163 68.748 68.868 0.070 0.000 0.993 612 T HN 0.530 nan 8.240 nan 0.000 0.519 613 H N 1.082 120.164 119.070 0.021 0.000 2.651 613 H HA 0.474 5.031 4.556 0.001 0.000 0.353 613 H C -2.488 172.854 175.328 0.025 0.000 1.178 613 H CA -2.805 53.233 56.048 -0.016 0.000 1.224 613 H CB 1.593 31.310 29.762 -0.076 0.000 1.702 613 H HN 0.073 nan 8.280 nan 0.000 0.550 614 P HA -0.094 nan 4.420 nan 0.000 0.266 614 P C -0.854 176.469 177.300 0.039 0.000 1.193 614 P CA 0.051 63.175 63.100 0.041 0.000 0.770 614 P CB 0.606 32.289 31.700 -0.028 0.000 0.836 615 V N 2.280 122.198 119.914 0.006 0.000 2.732 615 V HA 0.461 4.581 4.120 0.001 0.000 0.297 615 V C 0.021 176.071 176.094 -0.074 0.000 1.060 615 V CA -0.452 61.818 62.300 -0.049 0.000 1.038 615 V CB 0.740 32.431 31.823 -0.219 0.000 1.003 615 V HN 0.673 nan 8.190 nan 0.000 0.481 616 A N 5.523 128.306 122.820 -0.061 0.000 2.343 616 A HA 0.401 4.722 4.320 0.001 0.000 0.305 616 A C 0.876 178.415 177.584 -0.075 0.000 1.308 616 A CA -0.353 51.643 52.037 -0.068 0.000 0.949 616 A CB 0.099 19.068 19.000 -0.053 0.000 1.148 616 A HN 0.982 nan 8.150 nan 0.000 0.545 617 K N 1.818 122.169 120.400 -0.082 0.000 2.288 617 K HA 0.185 4.506 4.320 0.001 0.000 0.201 617 K C 1.027 177.605 176.600 -0.037 0.000 1.048 617 K CA 1.010 57.254 56.287 -0.072 0.000 0.956 617 K CB 0.171 32.629 32.500 -0.070 0.000 0.746 617 K HN 0.869 nan 8.250 nan 0.000 0.461 618 G N -0.320 108.460 108.800 -0.034 0.000 2.341 618 G HA2 0.457 4.417 3.960 0.001 0.000 0.299 618 G HA3 0.457 4.417 3.960 0.001 0.000 0.299 618 G C -1.804 173.078 174.900 -0.029 0.000 1.274 618 G CA -0.507 44.591 45.100 -0.004 0.000 0.853 618 G HN 0.074 nan 8.290 nan 0.000 0.493 619 A N -0.196 122.638 122.820 0.023 0.000 2.409 619 A HA 0.576 4.896 4.320 0.001 0.000 0.262 619 A C 0.458 177.967 177.584 -0.125 0.000 1.113 619 A CA -0.114 51.926 52.037 0.005 0.000 0.790 619 A CB 0.331 19.497 19.000 0.276 0.000 1.046 619 A HN 0.432 nan 8.150 nan 0.000 0.496 620 Q N 1.855 121.359 119.800 -0.493 0.000 3.254 620 Q HA 0.245 4.585 4.340 0.001 0.000 0.315 620 Q C -1.587 173.961 176.000 -0.753 0.000 1.405 620 Q CA 0.459 55.964 55.803 -0.497 0.000 0.966 620 Q CB -0.435 28.054 28.738 -0.415 0.000 1.706 620 Q HN 0.573 nan 8.270 nan 0.000 0.525 621 F N -0.449 119.540 119.950 0.065 0.000 2.561 621 F HA 0.464 4.992 4.527 0.001 0.000 0.313 621 F C 0.337 176.089 175.800 -0.080 0.000 1.126 621 F CA -1.382 56.651 58.000 0.055 0.000 0.918 621 F CB 0.916 40.017 39.000 0.169 0.000 1.199 621 F HN 0.083 nan 8.300 nan 0.000 0.444 622 A N 3.785 126.654 122.820 0.082 0.000 2.492 622 A HA 0.341 4.661 4.320 0.001 0.000 0.236 622 A C -1.568 175.799 177.584 -0.362 0.000 1.078 622 A CA -0.736 51.240 52.037 -0.102 0.000 0.773 622 A CB -0.285 18.690 19.000 -0.042 0.000 1.023 622 A HN 0.602 nan 8.150 nan 0.000 0.504 623 P HA -0.038 nan 4.420 nan 0.000 0.241 623 P C 0.104 177.140 177.300 -0.439 0.000 1.191 623 P CA 1.072 63.634 63.100 -0.898 0.000 0.771 623 P CB 0.001 31.361 31.700 -0.565 0.000 0.929 624 D N -1.742 118.509 120.400 -0.250 0.000 2.349 624 D HA -0.025 4.615 4.640 0.001 0.000 0.215 624 D C 0.486 176.703 176.300 -0.138 0.000 1.016 624 D CA 0.302 54.209 54.000 -0.155 0.000 0.870 624 D CB -0.455 40.290 40.800 -0.091 0.000 0.917 624 D HN 0.049 nan 8.370 nan 0.000 0.524 625 E N -0.203 119.939 120.200 -0.097 0.000 2.366 625 E HA 0.033 4.383 4.350 0.001 0.000 0.266 625 E C 0.275 176.847 176.600 -0.047 0.000 1.051 625 E CA -0.380 56.024 56.400 0.007 0.000 0.884 625 E CB 0.780 30.524 29.700 0.074 0.000 1.006 625 E HN 0.244 nan 8.360 nan 0.000 0.417 626 W N 1.482 122.761 121.300 -0.035 0.000 2.378 626 W HA -0.149 4.512 4.660 0.001 0.000 0.313 626 W C 2.102 178.560 176.519 -0.101 0.000 1.197 626 W CA 0.212 57.496 57.345 -0.102 0.000 1.304 626 W CB -0.320 28.948 29.460 -0.319 0.000 1.148 626 W HN 0.558 nan 8.180 nan 0.000 0.494 627 I N -0.140 120.406 120.570 -0.039 0.000 2.185 627 I HA -0.378 3.792 4.170 0.001 0.000 0.246 627 I C 2.268 178.310 176.117 -0.125 0.000 1.088 627 I CA 1.732 62.920 61.300 -0.186 0.000 1.347 627 I CB -1.145 36.528 38.000 -0.545 0.000 1.041 627 I HN 0.183 nan 8.210 nan 0.000 0.415 628 Y N 0.304 120.482 120.300 -0.203 0.000 2.181 628 Y HA -0.303 4.247 4.550 0.001 0.000 0.288 628 Y C 2.722 178.614 175.900 -0.012 0.000 1.146 628 Y CA 2.400 60.457 58.100 -0.071 0.000 1.164 628 Y CB -0.736 37.716 38.460 -0.015 0.000 0.982 628 Y HN 0.550 nan 8.280 nan 0.000 0.515 629 H N -0.450 118.659 119.070 0.066 0.000 2.256 629 H HA -0.091 4.466 4.556 0.001 0.000 0.301 629 H C 2.403 177.713 175.328 -0.029 0.000 1.062 629 H CA 2.032 58.067 56.048 -0.022 0.000 1.283 629 H CB -0.218 29.405 29.762 -0.231 0.000 1.379 629 H HN 0.144 nan 8.280 nan 0.000 0.493 630 R N -0.050 120.729 120.500 0.465 0.000 2.154 630 R HA -0.061 4.280 4.340 0.001 0.000 0.248 630 R C 0.113 176.468 176.300 0.091 0.000 1.155 630 R CA 1.349 57.665 56.100 0.360 0.000 0.979 630 R CB -0.089 30.361 30.300 0.250 0.000 0.869 630 R HN 0.322 nan 8.270 nan 0.000 0.452 631 L N 0.649 121.873 121.223 0.002 0.000 2.401 631 L HA 0.226 4.567 4.340 0.001 0.000 0.263 631 L C 0.807 177.560 176.870 -0.195 0.000 1.004 631 L CA -0.439 54.376 54.840 -0.043 0.000 0.881 631 L CB 1.910 43.948 42.059 -0.036 0.000 1.219 631 L HN 0.063 nan 8.230 nan 0.000 0.441 632 S N 1.463 117.079 115.700 -0.139 0.000 2.461 632 S HA -0.151 4.320 4.470 0.001 0.000 0.228 632 S C 1.749 176.381 174.600 0.053 0.000 1.005 632 S CA 0.399 58.534 58.200 -0.108 0.000 0.942 632 S CB -0.374 62.842 63.200 0.027 0.000 0.776 632 S HN 0.667 nan 8.310 nan 0.000 0.514 633 F N 2.193 122.057 119.950 -0.144 0.000 2.192 633 F HA 0.023 4.551 4.527 0.001 0.000 0.301 633 F C 1.990 177.878 175.800 0.147 0.000 1.079 633 F CA 0.986 58.918 58.000 -0.113 0.000 1.303 633 F CB -0.896 37.896 39.000 -0.346 0.000 1.024 633 F HN 0.095 nan 8.300 nan 0.000 0.494 634 M N 0.236 119.426 119.600 -0.683 0.000 2.358 634 M HA -0.136 4.345 4.480 0.001 0.000 0.264 634 M C 1.132 177.358 176.300 -0.124 0.000 1.064 634 M CA 1.579 56.570 55.300 -0.516 0.000 1.093 634 M CB -0.488 31.811 32.600 -0.501 0.000 1.401 634 M HN 0.155 nan 8.290 nan 0.000 0.440 635 D N 0.183 120.566 120.400 -0.028 0.000 2.324 635 D HA 0.071 4.712 4.640 0.001 0.000 0.212 635 D C 0.319 176.656 176.300 0.062 0.000 0.984 635 D CA 0.686 54.704 54.000 0.029 0.000 0.885 635 D CB 0.554 41.351 40.800 -0.005 0.000 0.996 635 D HN 0.091 nan 8.370 nan 0.000 0.505 636 K N 0.646 121.110 120.400 0.107 0.000 2.110 636 K HA 0.294 4.615 4.320 0.001 0.000 0.263 636 K C 0.331 177.009 176.600 0.130 0.000 0.975 636 K CA -0.313 55.925 56.287 -0.082 0.000 0.895 636 K CB 1.713 33.794 32.500 -0.699 0.000 1.060 636 K HN -0.141 nan 8.250 nan 0.000 0.448 637 Q N 0.290 120.141 119.800 0.085 0.000 2.376 637 Q HA 0.125 4.465 4.340 0.001 0.000 0.206 637 Q C -0.219 175.913 176.000 0.219 0.000 0.921 637 Q CA 0.340 56.269 55.803 0.210 0.000 0.911 637 Q CB 0.334 29.214 28.738 0.236 0.000 1.032 637 Q HN 0.387 nan 8.270 nan 0.000 0.510 638 L N -0.426 120.835 121.223 0.064 0.000 2.381 638 L HA 0.629 4.970 4.340 0.001 0.000 0.268 638 L C -2.068 174.761 176.870 -0.069 0.000 0.997 638 L CA -0.491 54.417 54.840 0.113 0.000 0.818 638 L CB 1.304 43.422 42.059 0.097 0.000 1.310 638 L HN -0.007 nan 8.230 nan 0.000 0.416 639 W N 3.934 125.362 121.300 0.213 0.000 3.138 639 W HA 0.745 5.406 4.660 0.001 0.000 0.331 639 W C -1.394 175.310 176.519 0.308 0.000 1.166 639 W CA -0.785 56.684 57.345 0.208 0.000 1.212 639 W CB 2.069 31.610 29.460 0.135 0.000 1.399 639 W HN 0.299 nan 8.180 nan 0.000 0.514 640 V N 2.555 122.748 119.914 0.466 0.000 2.577 640 V HA 0.799 4.919 4.120 0.001 0.000 0.303 640 V C -0.260 176.049 176.094 0.358 0.000 1.042 640 V CA -0.830 61.706 62.300 0.394 0.000 0.872 640 V CB 1.694 33.660 31.823 0.238 0.000 0.998 640 V HN 0.573 nan 8.190 nan 0.000 0.423 641 T N 1.515 116.306 114.554 0.395 0.000 2.906 641 T HA 0.666 5.017 4.350 0.001 0.000 0.295 641 T C -0.443 174.347 174.700 0.150 0.000 1.075 641 T CA -1.086 61.184 62.100 0.283 0.000 1.005 641 T CB 1.794 70.865 68.868 0.338 0.000 1.136 641 T HN 0.536 nan 8.240 nan 0.000 0.498 642 R N 0.614 121.114 120.500 -0.000 0.000 2.543 642 R HA 0.213 4.554 4.340 0.001 0.000 0.277 642 R C -0.492 175.580 176.300 -0.380 0.000 1.074 642 R CA -0.705 55.308 56.100 -0.146 0.000 1.076 642 R CB 0.225 30.434 30.300 -0.152 0.000 0.993 642 R HN 0.714 nan 8.270 nan 0.000 0.459 643 Y N 3.592 123.719 120.300 -0.288 0.000 2.632 643 Y HA -0.037 4.513 4.550 0.001 0.000 0.329 643 Y C -0.676 175.040 175.900 -0.307 0.000 1.174 643 Y CA 0.347 58.309 58.100 -0.229 0.000 1.469 643 Y CB 0.287 38.687 38.460 -0.100 0.000 1.242 643 Y HN 0.430 nan 8.280 nan 0.000 0.540 644 H N 7.825 126.498 119.070 -0.662 0.000 2.924 644 H HA 0.229 4.785 4.556 0.001 0.000 0.333 644 H C -2.035 172.820 175.328 -0.788 0.000 0.979 644 H CA -2.572 53.085 56.048 -0.652 0.000 1.326 644 H CB 1.653 31.215 29.762 -0.332 0.000 1.600 644 H HN 0.486 nan 8.280 nan 0.000 0.520 645 P HA -0.091 nan 4.420 nan 0.000 0.223 645 P C 1.409 178.586 177.300 -0.205 0.000 1.144 645 P CA 1.155 64.026 63.100 -0.381 0.000 0.783 645 P CB 0.240 31.832 31.700 -0.180 0.000 0.771 646 G N -0.853 107.825 108.800 -0.203 0.000 2.986 646 G HA2 -0.019 3.941 3.960 0.001 0.000 0.213 646 G HA3 -0.019 3.941 3.960 0.001 0.000 0.213 646 G C 0.264 175.028 174.900 -0.225 0.000 1.156 646 G CA -0.102 44.905 45.100 -0.155 0.000 0.763 646 G HN 0.269 nan 8.290 nan 0.000 0.547 647 E N 0.793 120.779 120.200 -0.357 0.000 2.070 647 E HA 0.351 4.701 4.350 0.001 0.000 0.261 647 E C 0.324 176.685 176.600 -0.398 0.000 0.926 647 E CA -0.390 55.571 56.400 -0.731 0.000 0.760 647 E CB 0.959 29.976 29.700 -1.138 0.000 1.133 647 E HN 0.216 nan 8.360 nan 0.000 0.420 648 R N 1.475 121.727 120.500 -0.414 0.000 2.453 648 R HA 0.186 4.526 4.340 0.001 0.000 0.233 648 R C -0.207 175.813 176.300 -0.467 0.000 0.895 648 R CA 0.095 55.861 56.100 -0.556 0.000 1.028 648 R CB 0.683 30.269 30.300 -1.190 0.000 1.255 648 R HN 0.223 nan 8.270 nan 0.000 0.571 649 F N 2.529 122.690 119.950 0.352 0.000 2.467 649 F HA 0.377 4.905 4.527 0.001 0.000 0.336 649 F C -1.507 174.305 175.800 0.019 0.000 1.123 649 F CA -3.143 54.958 58.000 0.167 0.000 0.964 649 F CB 1.264 40.271 39.000 0.011 0.000 1.136 649 F HN -0.257 nan 8.300 nan 0.000 0.447 650 P HA -0.201 nan 4.420 nan 0.000 0.218 650 P C 0.884 177.831 177.300 -0.589 0.000 1.149 650 P CA 1.669 64.420 63.100 -0.582 0.000 0.817 650 P CB 0.222 31.413 31.700 -0.848 0.000 0.785 651 E N 0.253 120.189 120.200 -0.440 0.000 2.474 651 E HA 0.165 4.515 4.350 0.001 0.000 0.194 651 E C 0.886 177.414 176.600 -0.120 0.000 1.041 651 E CA 0.660 56.960 56.400 -0.168 0.000 0.874 651 E CB -0.443 29.218 29.700 -0.065 0.000 0.914 651 E HN 0.173 nan 8.360 nan 0.000 0.498 652 G N 1.962 110.704 108.800 -0.096 0.000 2.699 652 G HA2 -0.292 3.669 3.960 0.001 0.000 0.686 652 G HA3 -0.292 3.669 3.960 0.001 0.000 0.686 652 G C 0.126 175.035 174.900 0.015 0.000 1.301 652 G CA -0.031 45.053 45.100 -0.027 0.000 0.816 652 G HN 0.167 nan 8.290 nan 0.000 0.595 653 K N -0.877 119.526 120.400 0.005 0.000 2.057 653 K HA -0.024 4.296 4.320 0.001 0.000 0.207 653 K C 0.380 176.592 176.600 -0.647 0.000 1.049 653 K CA 1.684 57.761 56.287 -0.349 0.000 0.931 653 K CB -0.129 32.136 32.500 -0.390 0.000 0.714 653 K HN 0.492 nan 8.250 nan 0.000 0.440 654 Y N 0.378 120.647 120.300 -0.051 0.000 2.748 654 Y HA 0.263 4.814 4.550 0.001 0.000 0.359 654 Y C -2.012 173.857 175.900 -0.053 0.000 1.030 654 Y CA -2.530 55.535 58.100 -0.058 0.000 1.169 654 Y CB 1.408 39.848 38.460 -0.034 0.000 1.127 654 Y HN 0.141 nan 8.280 nan 0.000 0.644 655 P HA -0.082 nan 4.420 nan 0.000 0.233 655 P C 0.150 177.473 177.300 0.038 0.000 1.167 655 P CA 0.519 63.632 63.100 0.021 0.000 0.770 655 P CB 0.473 32.180 31.700 0.012 0.000 0.837 656 N N 2.026 120.760 118.700 0.055 0.000 2.427 656 N HA -0.026 4.714 4.740 0.001 0.000 0.269 656 N C 0.230 175.733 175.510 -0.011 0.000 1.235 656 N CA 0.217 53.277 53.050 0.016 0.000 0.934 656 N CB -0.491 38.000 38.487 0.007 0.000 1.121 656 N HN -0.076 nan 8.380 nan 0.000 0.480 657 R N 0.473 120.941 120.500 -0.054 0.000 3.525 657 R HA -0.163 4.177 4.340 0.001 0.000 0.276 657 R C -0.435 175.820 176.300 -0.074 0.000 1.116 657 R CA 0.769 56.828 56.100 -0.068 0.000 0.745 657 R CB -2.799 27.361 30.300 -0.233 0.000 1.185 657 R HN 0.719 nan 8.270 nan 0.000 0.454 658 S N -0.732 114.935 115.700 -0.054 0.000 2.564 658 S HA 0.203 4.674 4.470 0.001 0.000 0.278 658 S C 1.485 175.957 174.600 -0.212 0.000 1.333 658 S CA 0.057 58.200 58.200 -0.096 0.000 1.048 658 S CB 1.700 64.867 63.200 -0.056 0.000 0.900 658 S HN 0.350 nan 8.310 nan 0.000 0.505 659 T N -2.267 112.129 114.554 -0.263 0.000 3.040 659 T HA 0.189 4.540 4.350 0.001 0.000 0.250 659 T C 0.432 175.279 174.700 0.245 0.000 1.058 659 T CA 0.277 62.152 62.100 -0.375 0.000 0.988 659 T CB -0.565 67.981 68.868 -0.536 0.000 0.993 659 T HN 1.013 nan 8.240 nan 0.000 0.519 660 H N -1.604 117.539 119.070 0.121 0.000 3.024 660 H HA 0.372 4.928 4.556 0.001 0.000 0.324 660 H C -2.097 173.316 175.328 0.142 0.000 1.347 660 H CA -1.001 55.236 56.048 0.316 0.000 1.182 660 H CB 0.444 30.366 29.762 0.266 0.000 1.889 660 H HN -0.026 nan 8.280 nan 0.000 0.528 661 D N 1.622 122.045 120.400 0.038 0.000 2.426 661 D HA 0.026 4.666 4.640 0.001 0.000 0.261 661 D C 0.793 176.946 176.300 -0.244 0.000 1.245 661 D CA 0.841 54.763 54.000 -0.131 0.000 0.917 661 D CB 0.674 41.391 40.800 -0.139 0.000 1.123 661 D HN 0.632 nan 8.370 nan 0.000 0.508 662 T N 0.362 114.724 114.554 -0.320 0.000 3.044 662 T HA 0.334 4.684 4.350 0.001 0.000 0.260 662 T C 1.031 175.480 174.700 -0.418 0.000 1.019 662 T CA -0.109 61.810 62.100 -0.301 0.000 0.921 662 T CB 0.845 69.567 68.868 -0.244 0.000 1.053 662 T HN 0.267 nan 8.240 nan 0.000 0.533 663 G N 1.374 109.834 108.800 -0.567 0.000 3.227 663 G HA2 0.496 4.457 3.960 0.001 0.000 0.171 663 G HA3 0.496 4.457 3.960 0.001 0.000 0.171 663 G C 0.807 174.784 174.900 -1.539 0.000 1.463 663 G CA -0.654 43.874 45.100 -0.954 0.000 1.016 663 G HN 0.258 nan 8.290 nan 0.000 0.594 664 L N 0.909 121.428 121.223 -1.174 0.000 2.127 664 L HA -0.034 4.306 4.340 0.001 0.000 0.211 664 L C 3.055 179.512 176.870 -0.688 0.000 1.089 664 L CA 1.136 55.284 54.840 -1.153 0.000 0.757 664 L CB -0.469 40.611 42.059 -1.633 0.000 0.899 664 L HN 0.578 nan 8.230 nan 0.000 0.434 665 G N -0.933 107.587 108.800 -0.467 0.000 2.421 665 G HA2 -0.333 3.627 3.960 0.001 0.000 0.216 665 G HA3 -0.333 3.627 3.960 0.001 0.000 0.216 665 G C 1.458 176.266 174.900 -0.153 0.000 1.171 665 G CA 0.785 45.781 45.100 -0.174 0.000 0.775 665 G HN 0.439 nan 8.290 nan 0.000 0.543 666 Q N -0.796 118.841 119.800 -0.272 0.000 2.046 666 Q HA -0.164 4.176 4.340 0.001 0.000 0.200 666 Q C 2.365 178.361 176.000 -0.006 0.000 0.975 666 Q CA 1.345 57.065 55.803 -0.138 0.000 0.836 666 Q CB -0.356 28.288 28.738 -0.157 0.000 0.896 666 Q HN 0.497 nan 8.270 nan 0.000 0.428 667 Y N 0.995 121.239 120.300 -0.093 0.000 2.193 667 Y HA -0.182 4.369 4.550 0.001 0.000 0.285 667 Y C 2.712 178.625 175.900 0.021 0.000 1.166 667 Y CA 1.462 59.530 58.100 -0.052 0.000 1.181 667 Y CB -0.880 37.465 38.460 -0.193 0.000 0.976 667 Y HN 0.364 nan 8.280 nan 0.000 0.520 668 S N -1.451 114.345 115.700 0.160 0.000 2.502 668 S HA 0.075 4.545 4.470 0.001 0.000 0.215 668 S C 1.785 176.465 174.600 0.134 0.000 1.009 668 S CA 0.107 58.412 58.200 0.174 0.000 0.908 668 S CB 0.027 63.370 63.200 0.238 0.000 0.801 668 S HN 0.047 nan 8.310 nan 0.000 0.505 669 K N 2.294 122.755 120.400 0.100 0.000 2.163 669 K HA -0.176 4.145 4.320 0.001 0.000 0.210 669 K C 1.028 177.674 176.600 0.076 0.000 1.048 669 K CA 1.965 58.296 56.287 0.073 0.000 0.928 669 K CB -0.908 31.623 32.500 0.051 0.000 0.716 669 K HN 0.356 nan 8.250 nan 0.000 0.459 670 D N -0.408 120.047 120.400 0.092 0.000 2.347 670 D HA -0.054 4.586 4.640 0.001 0.000 0.215 670 D C -0.198 176.153 176.300 0.084 0.000 0.976 670 D CA 0.459 54.509 54.000 0.084 0.000 0.884 670 D CB -0.256 40.599 40.800 0.092 0.000 0.915 670 D HN 0.446 nan 8.370 nan 0.000 0.526 671 N N 0.900 119.657 118.700 0.096 0.000 2.714 671 N HA -0.205 4.535 4.740 0.001 0.000 0.253 671 N C -0.844 174.720 175.510 0.089 0.000 1.024 671 N CA 0.014 53.117 53.050 0.089 0.000 0.726 671 N CB -0.490 38.038 38.487 0.068 0.000 0.908 671 N HN 0.328 nan 8.380 nan 0.000 0.542 672 E N 0.125 120.390 120.200 0.108 0.000 2.376 672 E HA 0.168 4.518 4.350 0.001 0.000 0.254 672 E C 0.237 176.892 176.600 0.091 0.000 1.213 672 E CA -0.446 56.015 56.400 0.101 0.000 0.945 672 E CB 0.650 30.426 29.700 0.126 0.000 1.057 672 E HN 0.268 nan 8.360 nan 0.000 0.479 673 S N 0.390 116.139 115.700 0.082 0.000 2.548 673 S HA 0.139 4.609 4.470 0.001 0.000 0.277 673 S C 0.131 174.777 174.600 0.076 0.000 1.315 673 S CA -0.444 57.800 58.200 0.073 0.000 1.050 673 S CB 0.081 63.319 63.200 0.063 0.000 0.918 673 S HN 0.384 nan 8.310 nan 0.000 0.497 674 L N 3.831 125.098 121.223 0.074 0.000 3.154 674 L HA 0.377 4.718 4.340 0.001 0.000 0.266 674 L C -0.418 176.491 176.870 0.064 0.000 1.300 674 L CA -0.206 54.679 54.840 0.075 0.000 1.028 674 L CB 0.286 42.397 42.059 0.087 0.000 1.412 674 L HN 0.576 nan 8.230 nan 0.000 0.564 675 D N 0.962 121.396 120.400 0.057 0.000 2.349 675 D HA 0.134 4.775 4.640 0.001 0.000 0.232 675 D C 0.592 176.919 176.300 0.044 0.000 1.071 675 D CA -0.164 53.865 54.000 0.049 0.000 0.832 675 D CB 0.583 41.411 40.800 0.046 0.000 1.086 675 D HN 0.172 nan 8.370 nan 0.000 0.504 676 N N 2.914 121.638 118.700 0.041 0.000 2.688 676 N HA -0.241 4.499 4.740 0.001 0.000 0.258 676 N C -1.279 174.254 175.510 0.038 0.000 1.016 676 N CA 0.735 53.807 53.050 0.035 0.000 0.747 676 N CB -0.370 38.134 38.487 0.029 0.000 0.895 676 N HN 0.456 nan 8.380 nan 0.000 0.543 677 T N -0.507 114.074 114.554 0.045 0.000 2.787 677 T HA 0.129 4.479 4.350 0.001 0.000 0.297 677 T C -1.661 173.070 174.700 0.052 0.000 1.221 677 T CA -0.571 61.559 62.100 0.049 0.000 1.006 677 T CB 1.483 70.385 68.868 0.057 0.000 1.328 677 T HN 0.179 nan 8.240 nan 0.000 0.509 678 D N 1.689 122.124 120.400 0.058 0.000 2.348 678 D HA 0.485 5.125 4.640 0.001 0.000 0.259 678 D C -0.118 176.229 176.300 0.078 0.000 1.296 678 D CA 0.000 54.036 54.000 0.060 0.000 0.931 678 D CB 0.258 41.100 40.800 0.070 0.000 1.067 678 D HN 0.704 nan 8.370 nan 0.000 0.503 679 A N 3.083 125.946 122.820 0.071 0.000 2.295 679 A HA 0.608 4.929 4.320 0.001 0.000 0.318 679 A C -0.531 177.103 177.584 0.083 0.000 1.134 679 A CA -0.613 51.477 52.037 0.089 0.000 0.827 679 A CB 1.328 20.380 19.000 0.087 0.000 1.136 679 A HN 0.346 nan 8.150 nan 0.000 0.493 680 V N 2.311 122.289 119.914 0.107 0.000 2.444 680 V HA 0.359 4.480 4.120 0.001 0.000 0.294 680 V C -0.367 175.750 176.094 0.038 0.000 1.022 680 V CA -0.501 61.808 62.300 0.016 0.000 0.850 680 V CB 1.461 33.284 31.823 0.000 0.000 0.992 680 V HN 0.656 nan 8.190 nan 0.000 0.426 681 V N 4.149 124.030 119.914 -0.055 0.000 2.481 681 V HA 0.468 4.589 4.120 0.001 0.000 0.286 681 V C -0.923 175.165 176.094 -0.011 0.000 1.042 681 V CA -0.491 61.857 62.300 0.080 0.000 0.928 681 V CB 1.498 33.361 31.823 0.068 0.000 0.986 681 V HN 0.902 nan 8.190 nan 0.000 0.462 682 W N 4.723 126.150 121.300 0.212 0.000 2.538 682 W HA 0.725 5.386 4.660 0.001 0.000 0.322 682 W C -0.294 176.412 176.519 0.311 0.000 1.028 682 W CA -0.622 56.858 57.345 0.226 0.000 1.228 682 W CB 1.193 30.744 29.460 0.152 0.000 1.356 682 W HN 0.274 nan 8.180 nan 0.000 0.452 683 M N 3.325 123.197 119.600 0.453 0.000 2.227 683 M HA 0.451 4.932 4.480 0.001 0.000 0.335 683 M C -0.361 176.203 176.300 0.439 0.000 1.053 683 M CA -0.325 55.210 55.300 0.391 0.000 0.973 683 M CB 1.841 34.602 32.600 0.268 0.000 1.623 683 M HN 0.225 nan 8.290 nan 0.000 0.434 684 T N 1.594 116.401 114.554 0.422 0.000 2.779 684 T HA 0.548 4.898 4.350 0.001 0.000 0.280 684 T C -0.435 174.464 174.700 0.332 0.000 0.987 684 T CA -0.407 61.932 62.100 0.398 0.000 0.966 684 T CB 1.644 70.789 68.868 0.462 0.000 0.933 684 T HN 0.684 nan 8.240 nan 0.000 0.442 685 T N 1.604 116.362 114.554 0.340 0.000 2.923 685 T HA 0.775 5.126 4.350 0.001 0.000 0.311 685 T C -0.699 174.175 174.700 0.290 0.000 1.183 685 T CA -0.251 62.050 62.100 0.334 0.000 1.020 685 T CB 1.456 70.573 68.868 0.416 0.000 1.165 685 T HN 0.929 nan 8.240 nan 0.000 0.482 686 G N 1.204 110.128 108.800 0.206 0.000 2.550 686 G HA2 0.653 4.614 3.960 0.001 0.000 0.293 686 G HA3 0.653 4.614 3.960 0.001 0.000 0.293 686 G C -0.774 174.191 174.900 0.109 0.000 1.402 686 G CA -0.039 45.121 45.100 0.099 0.000 0.784 686 G HN 0.992 nan 8.290 nan 0.000 0.482 687 T N -2.794 111.815 114.554 0.093 0.000 2.930 687 T HA 0.731 5.082 4.350 0.001 0.000 0.290 687 T C -0.651 174.054 174.700 0.008 0.000 1.052 687 T CA -0.625 61.534 62.100 0.098 0.000 1.017 687 T CB 2.082 71.077 68.868 0.211 0.000 1.137 687 T HN 0.494 nan 8.240 nan 0.000 0.511 688 T N 1.781 116.304 114.554 -0.052 0.000 2.821 688 T HA 0.301 4.652 4.350 0.001 0.000 0.307 688 T C -0.700 173.877 174.700 -0.205 0.000 1.034 688 T CA -0.421 61.594 62.100 -0.141 0.000 0.953 688 T CB -0.269 68.514 68.868 -0.141 0.000 0.968 688 T HN 0.787 nan 8.240 nan 0.000 0.462 689 H N 3.723 122.521 119.070 -0.452 0.000 2.820 689 H HA 0.495 5.051 4.556 0.001 0.000 0.278 689 H C -0.771 174.240 175.328 -0.528 0.000 1.142 689 H CA -0.677 54.992 56.048 -0.631 0.000 1.346 689 H CB 0.376 29.793 29.762 -0.575 0.000 1.438 689 H HN 0.274 nan 8.280 nan 0.000 0.473 690 V N 5.170 124.984 119.914 -0.167 0.000 2.370 690 V HA 0.350 4.471 4.120 0.001 0.000 0.279 690 V C 0.554 176.636 176.094 -0.021 0.000 1.029 690 V CA -0.529 61.684 62.300 -0.145 0.000 0.870 690 V CB 0.794 32.548 31.823 -0.116 0.000 0.984 690 V HN 0.897 nan 8.190 nan 0.000 0.451 691 A N 6.741 129.504 122.820 -0.094 0.000 2.313 691 A HA 0.883 5.203 4.320 0.001 0.000 0.261 691 A C 0.269 177.877 177.584 0.041 0.000 1.090 691 A CA -0.396 51.651 52.037 0.017 0.000 0.807 691 A CB 0.578 19.524 19.000 -0.089 0.000 1.055 691 A HN 0.966 nan 8.150 nan 0.000 0.492 692 R N -0.966 119.593 120.500 0.098 0.000 2.710 692 R HA 0.630 4.970 4.340 0.001 0.000 0.270 692 R C 0.303 176.661 176.300 0.097 0.000 1.021 692 R CA -0.094 56.049 56.100 0.071 0.000 0.889 692 R CB 1.165 31.508 30.300 0.071 0.000 1.243 692 R HN 0.772 nan 8.270 nan 0.000 0.464 693 A N 1.079 123.943 122.820 0.074 0.000 2.024 693 A HA -0.158 4.162 4.320 0.001 0.000 0.220 693 A C 1.329 179.000 177.584 0.146 0.000 1.164 693 A CA 1.775 53.876 52.037 0.107 0.000 0.643 693 A CB -0.525 18.513 19.000 0.063 0.000 0.806 693 A HN 0.818 nan 8.150 nan 0.000 0.451 694 E N 0.203 120.471 120.200 0.113 0.000 2.472 694 E HA -0.083 4.268 4.350 0.001 0.000 0.200 694 E C 1.096 177.763 176.600 0.112 0.000 1.046 694 E CA 0.944 57.402 56.400 0.096 0.000 0.871 694 E CB -0.073 29.670 29.700 0.071 0.000 0.806 694 E HN 0.778 nan 8.360 nan 0.000 0.533 695 E N -0.790 119.512 120.200 0.170 0.000 2.465 695 E HA 0.058 4.408 4.350 0.001 0.000 0.195 695 E C -0.487 176.277 176.600 0.274 0.000 1.028 695 E CA -0.267 56.247 56.400 0.191 0.000 0.899 695 E CB 0.480 30.333 29.700 0.254 0.000 1.032 695 E HN 0.189 nan 8.360 nan 0.000 0.468 696 W N 1.999 123.307 121.300 0.014 0.000 2.839 696 W HA 0.241 4.902 4.660 0.001 0.000 0.334 696 W C -2.327 174.199 176.519 0.012 0.000 1.064 696 W CA -2.149 55.200 57.345 0.006 0.000 1.236 696 W CB 1.711 31.175 29.460 0.007 0.000 1.405 696 W HN -0.109 nan 8.180 nan 0.000 0.478 697 P HA 0.036 nan 4.420 nan 0.000 0.229 697 P C 0.127 177.055 177.300 -0.620 0.000 1.160 697 P CA 0.962 63.373 63.100 -1.150 0.000 0.777 697 P CB 1.403 32.620 31.700 -0.805 0.000 0.814 698 I N -0.582 119.811 120.570 -0.295 0.000 2.689 698 I HA 0.318 4.488 4.170 0.001 0.000 0.299 698 I C -0.682 175.362 176.117 -0.122 0.000 1.059 698 I CA -1.746 59.399 61.300 -0.258 0.000 1.055 698 I CB 2.236 40.088 38.000 -0.247 0.000 1.243 698 I HN -0.329 nan 8.210 nan 0.000 0.425 699 M N 7.809 127.331 119.600 -0.129 0.000 2.144 699 M HA 0.426 4.907 4.480 0.001 0.000 0.356 699 M C -2.444 173.778 176.300 -0.130 0.000 1.217 699 M CA -1.678 53.577 55.300 -0.074 0.000 1.087 699 M CB 0.514 33.088 32.600 -0.044 0.000 1.609 699 M HN 0.231 nan 8.290 nan 0.000 0.467 700 P HA 0.065 nan 4.420 nan 0.000 0.268 700 P C -0.568 176.618 177.300 -0.191 0.000 1.204 700 P CA 0.022 63.057 63.100 -0.109 0.000 0.768 700 P CB 0.317 31.980 31.700 -0.062 0.000 0.842 701 T N 3.450 117.881 114.554 -0.205 0.000 2.934 701 T HA 0.080 4.430 4.350 0.001 0.000 0.306 701 T C 0.215 174.691 174.700 -0.374 0.000 1.042 701 T CA 0.018 61.895 62.100 -0.372 0.000 1.145 701 T CB 0.077 68.718 68.868 -0.378 0.000 0.982 701 T HN 0.341 nan 8.240 nan 0.000 0.544 702 E N 1.762 121.624 120.200 -0.564 0.000 2.199 702 E HA 0.362 4.713 4.350 0.001 0.000 0.269 702 E C -1.040 175.257 176.600 -0.506 0.000 0.899 702 E CA -0.504 55.602 56.400 -0.489 0.000 0.772 702 E CB 1.866 31.071 29.700 -0.825 0.000 1.155 702 E HN 0.631 nan 8.360 nan 0.000 0.408 703 W N 1.245 122.424 121.300 -0.201 0.000 2.781 703 W HA 0.507 5.167 4.660 0.001 0.000 0.345 703 W C -0.357 175.954 176.519 -0.347 0.000 1.085 703 W CA -0.833 56.385 57.345 -0.212 0.000 1.198 703 W CB 1.603 31.005 29.460 -0.098 0.000 1.423 703 W HN 0.217 nan 8.180 nan 0.000 0.532 704 V N -0.372 119.484 119.914 -0.098 0.000 2.735 704 V HA 0.621 4.741 4.120 0.001 0.000 0.310 704 V C -0.757 175.117 176.094 -0.367 0.000 1.061 704 V CA -0.880 61.273 62.300 -0.245 0.000 0.913 704 V CB 1.597 33.481 31.823 0.102 0.000 1.005 704 V HN 0.639 nan 8.190 nan 0.000 0.428 705 H N 2.583 121.694 119.070 0.069 0.000 2.622 705 H HA 0.824 5.380 4.556 0.001 0.000 0.363 705 H C -0.186 175.101 175.328 -0.069 0.000 1.151 705 H CA -0.038 55.987 56.048 -0.038 0.000 1.184 705 H CB 2.213 31.922 29.762 -0.089 0.000 1.643 705 H HN 1.002 nan 8.280 nan 0.000 0.531 706 T N 0.074 114.612 114.554 -0.027 0.000 2.906 706 T HA 0.622 4.973 4.350 0.001 0.000 0.295 706 T C -0.982 173.629 174.700 -0.148 0.000 1.075 706 T CA -0.811 61.232 62.100 -0.094 0.000 1.005 706 T CB 2.001 70.796 68.868 -0.120 0.000 1.136 706 T HN 0.283 nan 8.240 nan 0.000 0.498 707 L N 0.993 122.132 121.223 -0.141 0.000 2.465 707 L HA 0.740 5.080 4.340 0.001 0.000 0.257 707 L C -1.824 174.982 176.870 -0.107 0.000 0.988 707 L CA -0.877 53.877 54.840 -0.143 0.000 0.827 707 L CB 2.265 44.258 42.059 -0.111 0.000 1.397 707 L HN 0.840 nan 8.230 nan 0.000 0.410 708 L N 3.513 124.689 121.223 -0.077 0.000 2.415 708 L HA 0.556 4.896 4.340 0.001 0.000 0.268 708 L C -0.729 176.235 176.870 0.156 0.000 0.984 708 L CA -0.595 54.284 54.840 0.064 0.000 0.853 708 L CB 1.452 43.532 42.059 0.036 0.000 1.215 708 L HN 0.431 nan 8.230 nan 0.000 0.419 709 K N 3.965 124.430 120.400 0.108 0.000 2.221 709 K HA 0.502 4.822 4.320 0.001 0.000 0.258 709 K C -2.563 173.805 176.600 -0.387 0.000 0.944 709 K CA -1.888 54.372 56.287 -0.046 0.000 0.823 709 K CB 1.929 34.440 32.500 0.017 0.000 1.113 709 K HN 0.182 nan 8.250 nan 0.000 0.431 710 P HA -0.090 nan 4.420 nan 0.000 0.267 710 P C -0.965 176.175 177.300 -0.266 0.000 1.205 710 P CA 0.040 62.542 63.100 -0.996 0.000 0.765 710 P CB 0.451 31.821 31.700 -0.550 0.000 0.828 711 W N 5.748 126.860 121.300 -0.314 0.000 2.466 711 W HA 0.169 4.829 4.660 0.001 0.000 0.303 711 W C -0.418 176.070 176.519 -0.053 0.000 0.999 711 W CA -0.338 56.936 57.345 -0.118 0.000 1.437 711 W CB -0.121 29.290 29.460 -0.082 0.000 1.274 711 W HN 0.533 nan 8.180 nan 0.000 0.417 712 N N 3.051 121.688 118.700 -0.104 0.000 2.800 712 N HA -0.324 4.416 4.740 0.001 0.000 0.250 712 N C 0.485 175.978 175.510 -0.029 0.000 1.078 712 N CA 1.584 54.603 53.050 -0.052 0.000 0.804 712 N CB -2.046 36.447 38.487 0.010 0.000 1.135 712 N HN 0.532 nan 8.380 nan 0.000 0.565 713 F N 0.277 120.086 119.950 -0.236 0.000 2.146 713 F HA 0.100 4.628 4.527 0.001 0.000 0.298 713 F C 0.864 176.298 175.800 -0.611 0.000 1.096 713 F CA 1.190 58.920 58.000 -0.450 0.000 1.275 713 F CB 0.132 38.758 39.000 -0.624 0.000 1.008 713 F HN -0.023 nan 8.300 nan 0.000 0.480 714 F N 0.216 120.177 119.950 0.020 0.000 2.457 714 F HA 0.250 4.777 4.527 0.001 0.000 0.330 714 F C 1.296 177.047 175.800 -0.082 0.000 1.069 714 F CA -0.875 57.093 58.000 -0.053 0.000 1.009 714 F CB 0.257 39.227 39.000 -0.049 0.000 1.276 714 F HN -0.264 nan 8.300 nan 0.000 0.492 715 D N -0.399 120.080 120.400 0.132 0.000 2.354 715 D HA 0.055 4.695 4.640 0.001 0.000 0.209 715 D C 0.183 176.490 176.300 0.012 0.000 1.015 715 D CA 0.632 54.652 54.000 0.033 0.000 0.867 715 D CB 0.347 41.156 40.800 0.015 0.000 0.933 715 D HN 0.740 nan 8.370 nan 0.000 0.520 716 E N -1.518 118.699 120.200 0.029 0.000 2.435 716 E HA 0.169 4.520 4.350 0.001 0.000 0.277 716 E C -1.174 175.396 176.600 -0.049 0.000 1.106 716 E CA -0.787 55.596 56.400 -0.029 0.000 0.868 716 E CB 0.283 29.959 29.700 -0.039 0.000 1.454 716 E HN -0.293 nan 8.360 nan 0.000 0.452 717 T N 2.927 117.430 114.554 -0.086 0.000 2.656 717 T HA 0.014 4.365 4.350 0.001 0.000 0.263 717 T C -1.791 172.842 174.700 -0.112 0.000 1.017 717 T CA -0.258 61.784 62.100 -0.096 0.000 1.216 717 T CB -0.003 68.785 68.868 -0.134 0.000 0.989 717 T HN 0.317 nan 8.240 nan 0.000 0.507 718 P HA -0.054 nan 4.420 nan 0.000 0.220 718 P C 1.488 178.682 177.300 -0.177 0.000 1.148 718 P CA 0.827 63.697 63.100 -0.383 0.000 0.803 718 P CB -0.078 31.161 31.700 -0.769 0.000 0.782 719 T N -4.120 110.417 114.554 -0.029 0.000 3.107 719 T HA 0.166 4.517 4.350 0.001 0.000 0.249 719 T C 1.655 176.436 174.700 0.134 0.000 1.096 719 T CA -0.139 61.993 62.100 0.052 0.000 1.012 719 T CB -0.865 68.053 68.868 0.083 0.000 0.977 719 T HN -0.007 nan 8.240 nan 0.000 0.527 720 L N 1.189 122.479 121.223 0.112 0.000 2.043 720 L HA 0.131 4.471 4.340 0.001 0.000 0.212 720 L C 1.558 178.466 176.870 0.063 0.000 1.075 720 L CA 1.726 56.626 54.840 0.100 0.000 0.752 720 L CB -0.933 41.125 42.059 -0.001 0.000 0.891 720 L HN 0.761 nan 8.230 nan 0.000 0.432 721 G N -2.234 106.576 108.800 0.016 0.000 2.440 721 G HA2 0.099 4.060 3.960 0.001 0.000 0.684 721 G HA3 0.099 4.060 3.960 0.001 0.000 0.684 721 G C -0.696 174.197 174.900 -0.011 0.000 1.309 721 G CA -0.568 44.532 45.100 -0.001 0.000 0.931 721 G HN 0.394 nan 8.290 nan 0.000 0.612 722 A N -0.308 122.502 122.820 -0.016 0.000 2.488 722 A HA 0.590 4.911 4.320 0.001 0.000 0.249 722 A C 0.489 178.067 177.584 -0.010 0.000 1.083 722 A CA 0.132 52.160 52.037 -0.015 0.000 0.768 722 A CB 0.780 19.768 19.000 -0.019 0.000 1.017 722 A HN 1.957 nan 8.150 nan 0.000 0.496 723 L N 2.387 123.604 121.223 -0.009 0.000 2.367 723 L HA 0.224 4.565 4.340 0.001 0.000 0.275 723 L C 1.178 178.043 176.870 -0.008 0.000 1.129 723 L CA 0.700 55.535 54.840 -0.009 0.000 0.839 723 L CB 0.609 42.662 42.059 -0.009 0.000 1.133 723 L HN 0.809 nan 8.230 nan 0.000 0.453 724 K N 3.190 123.585 120.400 -0.008 0.000 2.361 724 K HA 0.059 4.380 4.320 0.001 0.000 0.196 724 K C 0.357 176.952 176.600 -0.008 0.000 1.039 724 K CA 0.193 56.475 56.287 -0.008 0.000 1.001 724 K CB 0.158 32.654 32.500 -0.007 0.000 0.795 724 K HN 0.575 nan 8.250 nan 0.000 0.495 725 K N 0.000 120.395 120.400 -0.008 0.000 2.780 725 K HA 0.000 4.320 4.320 0.001 0.000 0.191 725 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 725 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543