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 2uuv_1_D DATA FIRST_RESID 12 DATA SEQUENCE HIDLYQQIKW NGWGDTRKFL HQLKPSGTIA MTTPEVSSVP LPSLRGFIKK DATA SEQUENCE ELTXXXXXXX PFVLDETPAL QIENIHVDPP KQYPEFVREL KAFFLPDQLK DATA SEQUENCE DDKLARITHT FGKSLRDLIR VRIGQVKNAP DLIVLPHSHE EVERLVQLAH DATA SEQUENCE KYNVVIIPMG GGSNIVGAIE PVSNERFTVS IDMRRMNKVL WVDRREMTAC DATA SEQUENCE IQVGIMGPEL EKQLHKQGVS LGHDPDSFEF STLGGWLATC SSGHQSDKYG DATA SEQUENCE DIEDMAVSFR TVTPTGTLEL RXXXXXXXGI NYKHIILGSE GTLGIITEAV DATA SEQUENCE MKVHAVPQAV EYYGFLFPTF AHAVSALQQI RSSEVIPTMI RVYDPEETQL DATA SEQUENCE SFAWKPSKGA VSEFTSAMVK KYLHYIRSFD FKNVCLSIIG FEGPKKVVDF DATA SEQUENCE HRTSVFDILS KNAAFGLGSA PGKTWAEKRY DLPYIRDFLL DHNMWVDVAE DATA SEQUENCE TTVSYANLQT LWKDAKQTFV KHFKDQGIPA WICAHISHTY TNGVCLYFIF DATA SEQUENCE ASKQNXXXXX XXXXXAKKLM TDIIFKYGGS XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XGWINVYRSL KETIDPKDIC NPR 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.308 175.328 -0.033 0.000 0.993 12 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 12 H CB 0.000 29.758 29.762 -0.007 0.000 1.292 13 I N 3.959 124.226 120.570 -0.505 0.000 2.389 13 I HA 0.235 4.405 4.170 -0.001 0.000 0.288 13 I C -0.146 175.576 176.117 -0.659 0.000 0.999 13 I CA -0.795 60.235 61.300 -0.451 0.000 1.129 13 I CB 1.544 39.395 38.000 -0.248 0.000 1.288 13 I HN 0.545 nan 8.210 nan 0.000 0.444 14 D N 4.951 125.026 120.400 -0.542 0.000 2.339 14 D HA 0.183 4.823 4.640 -0.001 0.000 0.245 14 D C 1.361 177.474 176.300 -0.312 0.000 1.115 14 D CA -0.202 53.569 54.000 -0.382 0.000 0.917 14 D CB 2.107 42.770 40.800 -0.229 0.000 1.192 14 D HN 0.423 nan 8.370 nan 0.000 0.428 15 L N 1.583 122.739 121.223 -0.111 0.000 2.081 15 L HA -0.275 4.064 4.340 -0.001 0.000 0.212 15 L C 2.319 179.168 176.870 -0.036 0.000 1.080 15 L CA 1.408 56.218 54.840 -0.050 0.000 0.754 15 L CB -0.516 41.553 42.059 0.016 0.000 0.893 15 L HN 0.616 nan 8.230 nan 0.000 0.433 16 Y N -1.011 119.297 120.300 0.013 0.000 2.497 16 Y HA -0.163 4.387 4.550 -0.000 0.000 0.292 16 Y C 2.207 178.128 175.900 0.035 0.000 1.137 16 Y CA 0.636 58.745 58.100 0.015 0.000 1.285 16 Y CB -0.664 37.848 38.460 0.087 0.000 0.991 16 Y HN 0.185 nan 8.280 nan 0.000 0.556 17 Q N 0.222 119.717 119.800 -0.509 0.000 2.398 17 Q HA -0.024 4.316 4.340 -0.001 0.000 0.204 17 Q C 1.656 177.583 176.000 -0.121 0.000 0.932 17 Q CA 0.892 56.510 55.803 -0.308 0.000 0.916 17 Q CB 0.132 28.611 28.738 -0.432 0.000 1.024 17 Q HN 0.678 nan 8.270 nan 0.000 0.504 18 Q N -0.441 119.295 119.800 -0.106 0.000 2.352 18 Q HA 0.209 4.549 4.340 -0.001 0.000 0.212 18 Q C -0.101 175.882 176.000 -0.028 0.000 0.888 18 Q CA 0.128 55.902 55.803 -0.048 0.000 0.934 18 Q CB 1.006 29.716 28.738 -0.046 0.000 1.093 18 Q HN 0.257 nan 8.270 nan 0.000 0.523 19 I N 1.371 121.913 120.570 -0.046 0.000 2.412 19 I HA 0.176 4.346 4.170 -0.001 0.000 0.296 19 I C -0.170 175.899 176.117 -0.081 0.000 0.987 19 I CA -0.801 60.414 61.300 -0.141 0.000 1.180 19 I CB 1.549 39.446 38.000 -0.171 0.000 1.340 19 I HN -0.141 nan 8.210 nan 0.000 0.455 20 K N 6.130 126.436 120.400 -0.157 0.000 2.484 20 K HA -0.048 4.272 4.320 -0.001 0.000 0.280 20 K C 0.833 177.408 176.600 -0.043 0.000 1.013 20 K CA 0.046 56.267 56.287 -0.109 0.000 1.029 20 K CB 0.758 33.154 32.500 -0.174 0.000 0.902 20 K HN 0.742 nan 8.250 nan 0.000 0.481 21 W N 3.709 124.994 121.300 -0.025 0.000 2.678 21 W HA -0.036 4.623 4.660 -0.001 0.000 0.256 21 W C 0.325 176.840 176.519 -0.007 0.000 1.280 21 W CA 0.434 57.784 57.345 0.007 0.000 1.345 21 W CB -0.365 29.121 29.460 0.043 0.000 1.118 21 W HN 0.542 nan 8.180 nan 0.000 0.629 22 N N 0.420 118.755 118.700 -0.609 0.000 2.377 22 N HA 0.364 5.103 4.740 -0.001 0.000 0.259 22 N C 0.071 175.374 175.510 -0.345 0.000 1.332 22 N CA 0.363 53.088 53.050 -0.543 0.000 0.877 22 N CB 0.348 38.243 38.487 -0.988 0.000 1.299 22 N HN 0.106 nan 8.380 nan 0.000 0.501 23 G N -1.183 107.485 108.800 -0.221 0.000 2.578 23 G HA2 0.279 4.239 3.960 -0.001 0.000 0.302 23 G HA3 0.279 4.239 3.960 -0.001 0.000 0.302 23 G C -2.140 172.746 174.900 -0.023 0.000 1.243 23 G CA -0.896 44.151 45.100 -0.089 0.000 0.843 23 G HN 0.123 nan 8.290 nan 0.000 0.486 24 W N 1.484 122.654 121.300 -0.216 0.000 2.469 24 W HA 0.476 5.136 4.660 -0.001 0.000 0.320 24 W C 0.756 176.977 176.519 -0.497 0.000 1.086 24 W CA 0.837 57.971 57.345 -0.353 0.000 1.211 24 W CB 0.936 30.145 29.460 -0.418 0.000 1.298 24 W HN 1.726 nan 8.180 nan 0.000 0.525 25 G N 4.140 111.978 108.800 -1.603 0.000 2.552 25 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.265 25 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.265 25 G C -0.309 174.013 174.900 -0.964 0.000 1.234 25 G CA 0.256 43.988 45.100 -2.280 0.000 0.944 25 G HN 0.645 nan 8.290 nan 0.000 0.568 26 D N 1.190 121.370 120.400 -0.368 0.000 2.425 26 D HA 0.337 4.977 4.640 -0.001 0.000 0.247 26 D C 2.195 178.547 176.300 0.087 0.000 1.147 26 D CA 0.848 54.865 54.000 0.029 0.000 0.879 26 D CB 0.907 41.860 40.800 0.256 0.000 1.179 26 D HN 0.744 nan 8.370 nan 0.000 0.456 27 T N 1.888 116.477 114.554 0.058 0.000 2.929 27 T HA -0.147 4.203 4.350 -0.001 0.000 0.271 27 T C 1.517 176.351 174.700 0.224 0.000 1.085 27 T CA 0.894 63.055 62.100 0.103 0.000 1.125 27 T CB -0.024 68.884 68.868 0.066 0.000 0.874 27 T HN 0.418 nan 8.240 nan 0.000 0.494 28 R N 0.642 121.258 120.500 0.194 0.000 2.317 28 R HA 0.317 4.656 4.340 -0.001 0.000 0.208 28 R C 0.571 176.914 176.300 0.070 0.000 0.914 28 R CA 0.113 56.327 56.100 0.190 0.000 1.060 28 R CB 0.179 30.530 30.300 0.085 0.000 1.015 28 R HN 0.362 nan 8.270 nan 0.000 0.498 29 K N 1.302 121.774 120.400 0.121 0.000 2.463 29 K HA 0.326 4.646 4.320 -0.001 0.000 0.255 29 K C -1.532 175.084 176.600 0.027 0.000 0.942 29 K CA -0.667 55.525 56.287 -0.158 0.000 0.814 29 K CB 0.884 33.237 32.500 -0.244 0.000 1.122 29 K HN -0.080 nan 8.250 nan 0.000 0.425 30 F N 1.470 121.406 119.950 -0.023 0.000 2.744 30 F HA 0.388 4.914 4.527 -0.001 0.000 0.311 30 F C -1.698 174.228 175.800 0.210 0.000 1.144 30 F CA -1.426 56.654 58.000 0.132 0.000 0.938 30 F CB 0.740 39.836 39.000 0.160 0.000 1.292 30 F HN 0.110 nan 8.300 nan 0.000 0.444 31 L N 2.472 123.970 121.223 0.457 0.000 2.350 31 L HA 0.629 4.968 4.340 -0.001 0.000 0.275 31 L C -0.530 176.742 176.870 0.670 0.000 1.099 31 L CA -0.514 54.528 54.840 0.337 0.000 0.808 31 L CB 1.103 43.179 42.059 0.029 0.000 1.149 31 L HN 1.005 nan 8.230 nan 0.000 0.442 32 H N -0.264 119.019 119.070 0.355 0.000 3.016 32 H HA 0.357 4.913 4.556 -0.001 0.000 0.362 32 H C -1.255 174.291 175.328 0.364 0.000 1.233 32 H CA -1.003 55.341 56.048 0.492 0.000 1.124 32 H CB 1.490 31.528 29.762 0.461 0.000 1.850 32 H HN 0.464 nan 8.280 nan 0.000 0.549 33 Q N 2.502 122.572 119.800 0.451 0.000 2.360 33 Q HA 0.274 4.613 4.340 -0.001 0.000 0.254 33 Q C -0.713 175.396 176.000 0.182 0.000 0.975 33 Q CA -0.707 55.249 55.803 0.256 0.000 0.912 33 Q CB 0.753 29.661 28.738 0.284 0.000 1.212 33 Q HN 0.588 nan 8.270 nan 0.000 0.452 34 L N 3.472 124.736 121.223 0.070 0.000 2.483 34 L HA 0.184 4.524 4.340 -0.001 0.000 0.276 34 L C 0.175 177.099 176.870 0.091 0.000 1.213 34 L CA 0.586 55.480 54.840 0.090 0.000 0.843 34 L CB 0.174 42.252 42.059 0.032 0.000 1.107 34 L HN 0.419 nan 8.230 nan 0.000 0.487 35 K N 2.761 123.217 120.400 0.093 0.000 2.427 35 K HA 0.354 4.674 4.320 -0.001 0.000 0.252 35 K C -1.635 175.000 176.600 0.058 0.000 0.931 35 K CA -1.323 55.008 56.287 0.073 0.000 0.793 35 K CB 2.162 34.708 32.500 0.078 0.000 1.211 35 K HN 0.410 nan 8.250 nan 0.000 0.426 36 P HA 0.030 nan 4.420 nan 0.000 0.240 36 P C 1.049 178.374 177.300 0.041 0.000 1.190 36 P CA 0.371 63.496 63.100 0.040 0.000 0.781 36 P CB 0.581 32.300 31.700 0.032 0.000 0.931 37 S N -0.103 115.621 115.700 0.040 0.000 2.387 37 S HA -0.019 4.450 4.470 -0.001 0.000 0.230 37 S C 1.741 176.369 174.600 0.047 0.000 1.035 37 S CA 1.911 60.133 58.200 0.037 0.000 1.014 37 S CB -0.988 62.229 63.200 0.028 0.000 0.836 37 S HN 0.495 nan 8.310 nan 0.000 0.466 38 G N -0.316 108.516 108.800 0.053 0.000 2.179 38 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.260 38 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.260 38 G C 0.241 175.179 174.900 0.063 0.000 0.977 38 G CA 0.602 45.742 45.100 0.067 0.000 0.641 38 G HN 0.577 nan 8.290 nan 0.000 0.533 39 T N 1.596 116.170 114.554 0.034 0.000 2.902 39 T HA 0.399 4.749 4.350 -0.001 0.000 0.301 39 T C 1.115 175.792 174.700 -0.037 0.000 1.012 39 T CA 0.274 62.375 62.100 0.001 0.000 1.151 39 T CB 0.765 69.624 68.868 -0.015 0.000 0.946 39 T HN 0.342 nan 8.240 nan 0.000 0.542 40 I N 2.780 123.307 120.570 -0.072 0.000 2.474 40 I HA 0.501 4.670 4.170 -0.001 0.000 0.287 40 I C 0.581 176.564 176.117 -0.223 0.000 1.048 40 I CA -0.380 60.813 61.300 -0.178 0.000 1.383 40 I CB 0.701 38.534 38.000 -0.279 0.000 1.412 40 I HN 0.635 nan 8.210 nan 0.000 0.531 41 A N 6.855 129.474 122.820 -0.336 0.000 2.498 41 A HA 0.829 5.149 4.320 -0.001 0.000 0.298 41 A C -0.943 176.448 177.584 -0.322 0.000 1.075 41 A CA -0.709 51.118 52.037 -0.350 0.000 0.714 41 A CB 1.897 20.642 19.000 -0.425 0.000 1.299 41 A HN 0.741 nan 8.150 nan 0.000 0.407 42 M N 1.415 120.899 119.600 -0.193 0.000 2.243 42 M HA 0.547 5.027 4.480 -0.001 0.000 0.324 42 M C -0.922 175.301 176.300 -0.129 0.000 1.031 42 M CA 0.265 55.489 55.300 -0.127 0.000 0.949 42 M CB 1.648 34.157 32.600 -0.151 0.000 1.615 42 M HN 0.569 nan 8.290 nan 0.000 0.430 43 T N 3.660 118.083 114.554 -0.218 0.000 2.799 43 T HA 0.642 4.992 4.350 -0.001 0.000 0.286 43 T C -0.257 174.183 174.700 -0.433 0.000 0.973 43 T CA -0.475 61.395 62.100 -0.383 0.000 1.035 43 T CB 0.940 69.350 68.868 -0.764 0.000 0.932 43 T HN 0.797 nan 8.240 nan 0.000 0.469 44 T N 0.354 114.744 114.554 -0.273 0.000 2.930 44 T HA 0.529 4.879 4.350 -0.001 0.000 0.290 44 T C -2.161 172.456 174.700 -0.137 0.000 1.052 44 T CA -2.156 59.819 62.100 -0.207 0.000 1.017 44 T CB 1.747 70.525 68.868 -0.150 0.000 1.137 44 T HN 0.164 nan 8.240 nan 0.000 0.511 45 P HA 0.031 nan 4.420 nan 0.000 0.231 45 P C 0.592 177.868 177.300 -0.040 0.000 1.158 45 P CA 0.835 63.911 63.100 -0.041 0.000 0.763 45 P CB 0.185 31.881 31.700 -0.007 0.000 0.805 46 E N -0.898 119.270 120.200 -0.053 0.000 2.127 46 E HA 0.069 4.418 4.350 -0.001 0.000 0.191 46 E C 0.280 176.849 176.600 -0.052 0.000 0.964 46 E CA 0.579 56.951 56.400 -0.046 0.000 0.832 46 E CB 0.337 30.009 29.700 -0.046 0.000 0.790 46 E HN 0.011 nan 8.360 nan 0.000 0.465 47 V N 0.626 120.497 119.914 -0.071 0.000 2.686 47 V HA 0.342 4.462 4.120 -0.001 0.000 0.306 47 V C -0.455 175.592 176.094 -0.078 0.000 1.065 47 V CA -1.050 61.211 62.300 -0.065 0.000 0.894 47 V CB 2.073 33.855 31.823 -0.068 0.000 1.004 47 V HN -0.065 nan 8.190 nan 0.000 0.424 48 S N 2.074 117.743 115.700 -0.052 0.000 2.565 48 S HA 0.384 4.853 4.470 -0.001 0.000 0.274 48 S C 0.619 175.221 174.600 0.003 0.000 1.309 48 S CA -0.177 58.000 58.200 -0.039 0.000 1.043 48 S CB 1.063 64.256 63.200 -0.011 0.000 0.939 48 S HN 1.161 nan 8.310 nan 0.000 0.504 49 S N 0.186 115.934 115.700 0.080 0.000 3.524 49 S HA -0.119 4.350 4.470 -0.001 0.000 0.377 49 S C 0.017 174.601 174.600 -0.026 0.000 0.949 49 S CA -0.032 58.229 58.200 0.103 0.000 1.264 49 S CB -1.798 61.504 63.200 0.170 0.000 0.918 49 S HN 0.595 nan 8.310 nan 0.000 0.517 50 V N 2.398 122.269 119.914 -0.072 0.000 2.415 50 V HA 0.192 4.312 4.120 -0.001 0.000 0.267 50 V C -1.555 174.461 176.094 -0.130 0.000 1.042 50 V CA -1.444 60.795 62.300 -0.102 0.000 1.000 50 V CB 0.105 31.852 31.823 -0.126 0.000 1.015 50 V HN 0.238 nan 8.190 nan 0.000 0.478 51 P HA 0.178 nan 4.420 nan 0.000 0.268 51 P C -0.543 176.682 177.300 -0.126 0.000 1.205 51 P CA 0.027 63.059 63.100 -0.113 0.000 0.771 51 P CB 0.408 32.062 31.700 -0.077 0.000 0.858 52 L N 4.829 125.977 121.223 -0.124 0.000 2.502 52 L HA 0.317 4.657 4.340 -0.001 0.000 0.247 52 L C -1.688 175.140 176.870 -0.070 0.000 1.180 52 L CA -1.608 53.163 54.840 -0.115 0.000 0.956 52 L CB 1.307 43.297 42.059 -0.114 0.000 1.282 52 L HN 0.221 nan 8.230 nan 0.000 0.470 53 P HA -0.129 nan 4.420 nan 0.000 0.217 53 P C 1.337 178.628 177.300 -0.015 0.000 1.148 53 P CA 1.163 64.243 63.100 -0.033 0.000 0.828 53 P CB 0.383 32.065 31.700 -0.030 0.000 0.783 54 S N -1.471 114.224 115.700 -0.009 0.000 2.528 54 S HA 0.034 4.504 4.470 -0.001 0.000 0.219 54 S C 1.571 176.197 174.600 0.044 0.000 0.985 54 S CA -0.005 58.206 58.200 0.018 0.000 0.914 54 S CB -0.649 62.565 63.200 0.024 0.000 0.776 54 S HN 0.033 nan 8.310 nan 0.000 0.526 55 L N 2.409 123.648 121.223 0.027 0.000 2.044 55 L HA 0.141 4.481 4.340 -0.001 0.000 0.205 55 L C 2.290 179.198 176.870 0.064 0.000 1.075 55 L CA 1.616 56.485 54.840 0.049 0.000 0.747 55 L CB -0.523 41.551 42.059 0.025 0.000 0.903 55 L HN 0.116 nan 8.230 nan 0.000 0.435 56 R N -0.641 119.878 120.500 0.032 0.000 2.113 56 R HA -0.196 4.144 4.340 -0.001 0.000 0.244 56 R C 2.114 178.396 176.300 -0.031 0.000 1.142 56 R CA 1.724 57.855 56.100 0.051 0.000 0.953 56 R CB -0.869 29.475 30.300 0.074 0.000 0.860 56 R HN 0.560 nan 8.270 nan 0.000 0.438 57 G N -0.340 108.446 108.800 -0.023 0.000 2.422 57 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 57 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 57 G C 1.273 176.131 174.900 -0.070 0.000 1.146 57 G CA 0.547 45.602 45.100 -0.075 0.000 0.769 57 G HN 0.409 nan 8.290 nan 0.000 0.547 58 F N 1.151 121.024 119.950 -0.129 0.000 2.084 58 F HA 0.047 4.574 4.527 -0.000 0.000 0.296 58 F C 2.542 178.220 175.800 -0.203 0.000 1.111 58 F CA 1.149 59.069 58.000 -0.134 0.000 1.224 58 F CB -0.056 38.880 39.000 -0.108 0.000 0.991 58 F HN 0.062 nan 8.300 nan 0.000 0.471 59 I N 0.629 121.150 120.570 -0.081 0.000 2.127 59 I HA -0.374 3.796 4.170 -0.001 0.000 0.241 59 I C 2.537 178.466 176.117 -0.313 0.000 1.075 59 I CA 1.949 63.151 61.300 -0.164 0.000 1.334 59 I CB -0.746 37.282 38.000 0.048 0.000 1.040 59 I HN 0.160 nan 8.210 nan 0.000 0.405 60 K N 1.840 121.902 120.400 -0.564 0.000 2.020 60 K HA -0.309 4.010 4.320 -0.001 0.000 0.212 60 K C 2.216 178.517 176.600 -0.497 0.000 1.050 60 K CA 2.361 58.038 56.287 -1.017 0.000 0.929 60 K CB -0.192 31.476 32.500 -1.388 0.000 0.714 60 K HN 0.140 nan 8.250 nan 0.000 0.443 61 K N 0.423 120.596 120.400 -0.378 0.000 2.009 61 K HA -0.178 4.142 4.320 -0.001 0.000 0.210 61 K C 1.845 178.302 176.600 -0.238 0.000 1.049 61 K CA 2.013 58.143 56.287 -0.261 0.000 0.929 61 K CB -0.017 32.346 32.500 -0.227 0.000 0.714 61 K HN 0.175 nan 8.250 nan 0.000 0.440 62 E N -0.161 119.820 120.200 -0.366 0.000 2.358 62 E HA -0.006 4.344 4.350 -0.001 0.000 0.195 62 E C 0.240 176.746 176.600 -0.157 0.000 1.010 62 E CA 0.667 56.884 56.400 -0.304 0.000 0.856 62 E CB 0.396 29.670 29.700 -0.711 0.000 0.795 62 E HN 0.361 nan 8.360 nan 0.000 0.504 63 L N 1.287 122.416 121.223 -0.156 0.000 2.613 63 L HA 0.130 4.469 4.340 -0.001 0.000 0.275 63 L C 0.027 176.902 176.870 0.008 0.000 1.453 63 L CA -0.369 54.432 54.840 -0.065 0.000 0.725 63 L CB 1.087 43.101 42.059 -0.076 0.000 1.013 63 L HN -0.091 nan 8.230 nan 0.000 0.520 73 F N 3.013 122.966 119.950 0.004 0.000 2.420 73 F HA 0.625 5.152 4.527 -0.001 0.000 0.352 73 F C -0.660 175.144 175.800 0.008 0.000 1.108 73 F CA -0.160 57.842 58.000 0.003 0.000 1.162 73 F CB 0.946 39.945 39.000 -0.001 0.000 1.118 73 F HN 0.120 nan 8.300 nan 0.000 0.510 74 V N 7.138 126.626 119.914 -0.710 0.000 2.577 74 V HA 0.244 4.364 4.120 -0.001 0.000 0.303 74 V C -0.684 174.971 176.094 -0.731 0.000 1.042 74 V CA -1.023 60.941 62.300 -0.560 0.000 0.872 74 V CB 1.509 33.190 31.823 -0.237 0.000 0.998 74 V HN 0.498 nan 8.190 nan 0.000 0.423 75 L N 4.683 125.575 121.223 -0.551 0.000 2.418 75 L HA 0.281 4.621 4.340 -0.001 0.000 0.274 75 L C 0.422 177.230 176.870 -0.104 0.000 1.135 75 L CA 0.212 54.872 54.840 -0.301 0.000 0.870 75 L CB 0.030 41.968 42.059 -0.201 0.000 1.154 75 L HN 0.618 nan 8.230 nan 0.000 0.462 76 D N 4.178 124.533 120.400 -0.074 0.000 2.390 76 D HA 0.102 4.741 4.640 -0.001 0.000 0.249 76 D C 0.151 176.442 176.300 -0.016 0.000 1.144 76 D CA -0.006 53.970 54.000 -0.041 0.000 0.880 76 D CB 1.055 41.833 40.800 -0.037 0.000 1.182 76 D HN 0.453 nan 8.370 nan 0.000 0.451 77 E N 0.108 120.278 120.200 -0.050 0.000 2.216 77 E HA 0.331 4.681 4.350 -0.001 0.000 0.279 77 E C -0.209 176.299 176.600 -0.153 0.000 0.997 77 E CA -0.488 55.825 56.400 -0.145 0.000 0.817 77 E CB 1.058 30.688 29.700 -0.117 0.000 1.096 77 E HN 0.387 nan 8.360 nan 0.000 0.393 78 T N 0.551 114.970 114.554 -0.225 0.000 3.583 78 T HA 0.294 4.644 4.350 -0.001 0.000 0.266 78 T C -2.576 172.020 174.700 -0.173 0.000 1.296 78 T CA -1.766 60.243 62.100 -0.151 0.000 1.668 78 T CB 0.277 69.082 68.868 -0.104 0.000 0.832 78 T HN 0.168 nan 8.240 nan 0.000 0.649 79 P HA 0.395 nan 4.420 nan 0.000 0.269 79 P C 0.315 177.546 177.300 -0.115 0.000 1.209 79 P CA -0.189 62.820 63.100 -0.153 0.000 0.776 79 P CB 0.578 32.209 31.700 -0.116 0.000 0.876 80 A N 3.342 126.084 122.820 -0.129 0.000 2.386 80 A HA 0.255 4.575 4.320 -0.001 0.000 0.246 80 A C 0.586 178.143 177.584 -0.044 0.000 1.089 80 A CA -0.498 51.472 52.037 -0.111 0.000 0.790 80 A CB -0.378 18.503 19.000 -0.197 0.000 1.042 80 A HN 0.569 nan 8.150 nan 0.000 0.497 81 L N 1.482 122.713 121.223 0.012 0.000 2.483 81 L HA 0.055 4.394 4.340 -0.001 0.000 0.276 81 L C 0.716 177.690 176.870 0.174 0.000 1.213 81 L CA -0.338 54.549 54.840 0.078 0.000 0.843 81 L CB 0.241 42.361 42.059 0.101 0.000 1.107 81 L HN 0.687 nan 8.230 nan 0.000 0.487 82 Q N 2.040 121.932 119.800 0.154 0.000 2.394 82 Q HA 0.026 4.366 4.340 -0.001 0.000 0.248 82 Q C 1.066 177.195 176.000 0.215 0.000 0.992 82 Q CA 0.101 56.031 55.803 0.212 0.000 0.888 82 Q CB 1.310 30.113 28.738 0.109 0.000 1.257 82 Q HN 0.638 nan 8.270 nan 0.000 0.462 83 I N 1.660 122.313 120.570 0.139 0.000 2.361 83 I HA -0.280 3.890 4.170 -0.001 0.000 0.251 83 I C 2.044 178.098 176.117 -0.105 0.000 1.133 83 I CA 1.247 62.424 61.300 -0.206 0.000 1.413 83 I CB 0.118 37.705 38.000 -0.690 0.000 1.073 83 I HN 0.638 nan 8.210 nan 0.000 0.424 84 E N 0.154 120.329 120.200 -0.042 0.000 2.265 84 E HA -0.215 4.135 4.350 -0.001 0.000 0.196 84 E C 0.828 177.433 176.600 0.008 0.000 0.996 84 E CA 0.921 57.307 56.400 -0.023 0.000 0.832 84 E CB -0.729 28.965 29.700 -0.010 0.000 0.756 84 E HN 0.559 nan 8.360 nan 0.000 0.491 85 N N 0.726 119.445 118.700 0.033 0.000 2.314 85 N HA 0.190 4.929 4.740 -0.001 0.000 0.200 85 N C 0.051 175.601 175.510 0.067 0.000 1.135 85 N CA 0.142 53.221 53.050 0.048 0.000 0.835 85 N CB 0.704 39.222 38.487 0.052 0.000 0.989 85 N HN 0.262 nan 8.380 nan 0.000 0.478 86 I N 0.558 121.164 120.570 0.059 0.000 2.377 86 I HA 0.128 4.297 4.170 -0.001 0.000 0.293 86 I C 0.009 176.174 176.117 0.080 0.000 0.987 86 I CA -0.855 60.494 61.300 0.081 0.000 1.185 86 I CB 1.150 39.198 38.000 0.081 0.000 1.341 86 I HN -0.013 nan 8.210 nan 0.000 0.455 87 H N 5.962 125.047 119.070 0.024 0.000 2.489 87 H HA 0.617 5.173 4.556 -0.001 0.000 0.322 87 H C -1.443 173.897 175.328 0.020 0.000 1.091 87 H CA -0.371 55.685 56.048 0.014 0.000 1.291 87 H CB 1.205 30.976 29.762 0.015 0.000 1.436 87 H HN 0.289 nan 8.280 nan 0.000 0.480 88 V N 5.213 124.765 119.914 -0.603 0.000 2.638 88 V HA 0.143 4.263 4.120 -0.001 0.000 0.306 88 V C -0.366 175.324 176.094 -0.674 0.000 1.052 88 V CA -1.168 60.840 62.300 -0.487 0.000 0.885 88 V CB 1.732 33.426 31.823 -0.215 0.000 0.999 88 V HN 0.887 nan 8.190 nan 0.000 0.424 89 D N 5.252 125.380 120.400 -0.454 0.000 2.449 89 D HA 0.148 4.788 4.640 -0.001 0.000 0.236 89 D C -2.084 174.127 176.300 -0.147 0.000 1.149 89 D CA -0.458 53.419 54.000 -0.204 0.000 0.878 89 D CB 0.591 41.366 40.800 -0.041 0.000 1.198 89 D HN 0.323 nan 8.370 nan 0.000 0.446 90 P HA 0.098 nan 4.420 nan 0.000 0.269 90 P C -2.463 174.800 177.300 -0.061 0.000 1.211 90 P CA -0.811 62.254 63.100 -0.059 0.000 0.781 90 P CB -0.635 31.054 31.700 -0.018 0.000 0.877 91 P HA 0.108 nan 4.420 nan 0.000 0.269 91 P C 0.076 177.363 177.300 -0.021 0.000 1.215 91 P CA 0.096 63.149 63.100 -0.079 0.000 0.780 91 P CB 0.393 32.057 31.700 -0.060 0.000 0.898 92 K N 1.503 121.880 120.400 -0.038 0.000 2.230 92 K HA 0.110 4.430 4.320 -0.001 0.000 0.253 92 K C 0.303 177.063 176.600 0.266 0.000 1.008 92 K CA -0.032 56.300 56.287 0.076 0.000 0.910 92 K CB 0.247 32.791 32.500 0.074 0.000 0.994 92 K HN 0.489 nan 8.250 nan 0.000 0.495 93 Q N 0.921 120.879 119.800 0.263 0.000 2.274 93 Q HA 0.286 4.626 4.340 -0.001 0.000 0.260 93 Q C -1.196 174.976 176.000 0.287 0.000 0.974 93 Q CA -0.505 55.472 55.803 0.292 0.000 0.876 93 Q CB 1.846 30.670 28.738 0.143 0.000 1.297 93 Q HN 0.604 nan 8.270 nan 0.000 0.446 94 Y N 2.476 122.751 120.300 -0.043 0.000 2.520 94 Y HA 0.190 4.740 4.550 -0.000 0.000 0.339 94 Y C -2.282 173.487 175.900 -0.219 0.000 1.113 94 Y CA -2.212 55.767 58.100 -0.201 0.000 1.255 94 Y CB 1.396 39.559 38.460 -0.494 0.000 1.099 94 Y HN 0.553 nan 8.280 nan 0.000 0.628 95 P HA -0.215 nan 4.420 nan 0.000 0.216 95 P C 1.339 178.571 177.300 -0.113 0.000 1.153 95 P CA 1.650 64.741 63.100 -0.015 0.000 0.848 95 P CB 0.290 32.004 31.700 0.024 0.000 0.787 96 E N -0.487 119.670 120.200 -0.071 0.000 2.072 96 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 96 E C 2.121 178.345 176.600 -0.627 0.000 0.985 96 E CA 1.092 57.376 56.400 -0.194 0.000 0.801 96 E CB -1.534 28.184 29.700 0.030 0.000 0.750 96 E HN 0.301 nan 8.360 nan 0.000 0.452 97 F N 2.407 121.631 119.950 -1.210 0.000 2.075 97 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 97 F C 2.325 177.645 175.800 -0.799 0.000 1.113 97 F CA 1.370 58.468 58.000 -1.505 0.000 1.218 97 F CB -0.020 37.859 39.000 -1.868 0.000 0.984 97 F HN -0.195 nan 8.300 nan 0.000 0.472 98 V N 1.017 120.464 119.914 -0.779 0.000 2.407 98 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 98 V C 2.423 178.269 176.094 -0.414 0.000 1.055 98 V CA 2.087 64.025 62.300 -0.603 0.000 1.049 98 V CB -0.792 30.841 31.823 -0.317 0.000 0.662 98 V HN 0.297 nan 8.190 nan 0.000 0.455 99 R N -0.176 120.131 120.500 -0.323 0.000 2.096 99 R HA -0.198 4.142 4.340 -0.001 0.000 0.240 99 R C 2.395 178.569 176.300 -0.210 0.000 1.139 99 R CA 1.880 57.854 56.100 -0.210 0.000 0.952 99 R CB -0.320 29.889 30.300 -0.153 0.000 0.854 99 R HN 0.578 nan 8.270 nan 0.000 0.436 100 E N 0.237 120.253 120.200 -0.306 0.000 2.077 100 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 100 E C 2.011 178.502 176.600 -0.181 0.000 0.989 100 E CA 0.889 57.157 56.400 -0.220 0.000 0.800 100 E CB -0.058 29.506 29.700 -0.226 0.000 0.746 100 E HN 0.138 nan 8.360 nan 0.000 0.452 101 L N 1.507 122.533 121.223 -0.328 0.000 2.046 101 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 101 L C 2.158 179.073 176.870 0.076 0.000 1.077 101 L CA 1.721 56.498 54.840 -0.104 0.000 0.747 101 L CB -0.418 41.411 42.059 -0.384 0.000 0.896 101 L HN -0.013 nan 8.230 nan 0.000 0.432 102 K N -1.271 119.095 120.400 -0.056 0.000 2.217 102 K HA 0.009 4.329 4.320 -0.001 0.000 0.202 102 K C 1.988 178.585 176.600 -0.005 0.000 1.051 102 K CA 0.980 57.254 56.287 -0.020 0.000 0.952 102 K CB -0.113 32.350 32.500 -0.062 0.000 0.736 102 K HN 0.296 nan 8.250 nan 0.000 0.453 103 A N 0.370 123.183 122.820 -0.011 0.000 2.014 103 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 103 A C 1.799 179.395 177.584 0.020 0.000 1.163 103 A CA 0.921 52.957 52.037 -0.001 0.000 0.652 103 A CB -0.298 18.701 19.000 -0.002 0.000 0.808 103 A HN 0.329 nan 8.150 nan 0.000 0.449 104 F N -1.547 118.315 119.950 -0.147 0.000 2.343 104 F HA 0.384 4.910 4.527 -0.001 0.000 0.286 104 F C 0.309 175.892 175.800 -0.362 0.000 1.057 104 F CA -0.232 57.600 58.000 -0.281 0.000 1.365 104 F CB 0.232 38.987 39.000 -0.408 0.000 1.114 104 F HN 0.064 nan 8.300 nan 0.000 0.545 105 F N 1.643 121.548 119.950 -0.077 0.000 2.371 105 F HA 0.347 4.873 4.527 -0.000 0.000 0.329 105 F C 0.106 175.804 175.800 -0.169 0.000 1.107 105 F CA -0.802 57.093 58.000 -0.174 0.000 1.137 105 F CB 0.608 39.564 39.000 -0.074 0.000 1.214 105 F HN -0.305 nan 8.300 nan 0.000 0.536 106 L N 3.644 124.892 121.223 0.043 0.000 2.439 106 L HA 0.106 4.445 4.340 -0.001 0.000 0.269 106 L C -1.470 175.418 176.870 0.030 0.000 1.179 106 L CA -1.474 53.371 54.840 0.007 0.000 0.828 106 L CB 0.213 42.275 42.059 0.004 0.000 1.106 106 L HN 0.446 nan 8.230 nan 0.000 0.467 107 P HA -0.215 nan 4.420 nan 0.000 0.216 107 P C 0.903 178.211 177.300 0.013 0.000 1.153 107 P CA 1.428 64.533 63.100 0.009 0.000 0.858 107 P CB -0.052 31.651 31.700 0.005 0.000 0.789 108 D N -0.533 119.886 120.400 0.031 0.000 2.351 108 D HA -0.190 4.449 4.640 -0.001 0.000 0.216 108 D C 1.264 177.595 176.300 0.052 0.000 0.968 108 D CA 0.803 54.836 54.000 0.055 0.000 0.899 108 D CB -0.533 40.315 40.800 0.081 0.000 0.907 108 D HN 0.346 nan 8.370 nan 0.000 0.514 109 Q N -0.002 119.800 119.800 0.004 0.000 2.403 109 Q HA 0.243 4.582 4.340 -0.001 0.000 0.203 109 Q C 0.185 176.095 176.000 -0.150 0.000 0.932 109 Q CA 0.182 55.942 55.803 -0.072 0.000 0.945 109 Q CB 0.701 29.349 28.738 -0.150 0.000 1.045 109 Q HN 0.339 nan 8.270 nan 0.000 0.511 110 L N 1.477 122.638 121.223 -0.103 0.000 2.349 110 L HA 0.516 4.855 4.340 -0.001 0.000 0.278 110 L C -0.592 176.226 176.870 -0.087 0.000 0.996 110 L CA -0.838 53.923 54.840 -0.132 0.000 0.825 110 L CB 1.225 43.216 42.059 -0.113 0.000 1.243 110 L HN -0.183 nan 8.230 nan 0.000 0.412 111 K N 2.467 122.794 120.400 -0.123 0.000 2.427 111 K HA 0.417 4.737 4.320 -0.001 0.000 0.252 111 K C -0.779 175.736 176.600 -0.142 0.000 0.931 111 K CA -0.593 55.627 56.287 -0.112 0.000 0.793 111 K CB 2.839 35.256 32.500 -0.138 0.000 1.211 111 K HN 0.656 nan 8.250 nan 0.000 0.426 112 D N -0.525 119.815 120.400 -0.100 0.000 2.651 112 D HA -0.028 4.611 4.640 -0.001 0.000 0.280 112 D C -0.329 175.917 176.300 -0.091 0.000 1.496 112 D CA -0.268 53.670 54.000 -0.104 0.000 0.792 112 D CB 0.145 40.906 40.800 -0.065 0.000 1.144 112 D HN 0.482 nan 8.370 nan 0.000 0.470 113 D N 0.385 120.736 120.400 -0.081 0.000 2.377 113 D HA 0.001 4.641 4.640 -0.001 0.000 0.245 113 D C 1.034 177.279 176.300 -0.091 0.000 1.196 113 D CA -0.587 53.372 54.000 -0.068 0.000 0.962 113 D CB 2.253 43.030 40.800 -0.038 0.000 1.127 113 D HN -0.051 nan 8.370 nan 0.000 0.471 114 K N -0.520 119.822 120.400 -0.096 0.000 2.009 114 K HA -0.203 4.117 4.320 -0.001 0.000 0.210 114 K C 2.196 178.717 176.600 -0.131 0.000 1.049 114 K CA 0.825 57.040 56.287 -0.120 0.000 0.929 114 K CB -0.310 32.109 32.500 -0.135 0.000 0.714 114 K HN 0.366 nan 8.250 nan 0.000 0.440 115 L N 1.188 122.329 121.223 -0.137 0.000 2.013 115 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 115 L C 2.263 179.121 176.870 -0.020 0.000 1.073 115 L CA 2.265 57.030 54.840 -0.126 0.000 0.753 115 L CB -0.813 41.204 42.059 -0.070 0.000 0.890 115 L HN 0.276 nan 8.230 nan 0.000 0.432 116 A N -0.429 122.350 122.820 -0.067 0.000 1.883 116 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 116 A C 2.430 179.925 177.584 -0.148 0.000 1.186 116 A CA 2.068 53.926 52.037 -0.297 0.000 0.624 116 A CB -0.597 18.184 19.000 -0.364 0.000 0.822 116 A HN 0.532 nan 8.150 nan 0.000 0.444 117 R N -0.672 119.750 120.500 -0.130 0.000 2.075 117 R HA 0.001 4.341 4.340 -0.001 0.000 0.232 117 R C 2.058 178.341 176.300 -0.029 0.000 1.126 117 R CA 1.519 57.557 56.100 -0.103 0.000 0.963 117 R CB -0.459 29.764 30.300 -0.128 0.000 0.858 117 R HN 0.574 nan 8.270 nan 0.000 0.435 118 I N 0.641 121.216 120.570 0.009 0.000 2.226 118 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 118 I C 2.332 178.569 176.117 0.201 0.000 1.100 118 I CA 1.717 63.094 61.300 0.128 0.000 1.374 118 I CB -0.586 37.507 38.000 0.154 0.000 1.057 118 I HN 0.336 nan 8.210 nan 0.000 0.413 119 T N -2.932 111.720 114.554 0.163 0.000 3.051 119 T HA -0.146 4.204 4.350 -0.001 0.000 0.269 119 T C 1.006 175.623 174.700 -0.139 0.000 1.127 119 T CA 1.058 63.218 62.100 0.100 0.000 1.107 119 T CB -0.479 68.459 68.868 0.116 0.000 0.898 119 T HN 0.396 nan 8.240 nan 0.000 0.517 120 H N -0.332 118.701 119.070 -0.061 0.000 2.486 120 H HA 0.417 4.972 4.556 -0.001 0.000 0.284 120 H C 1.370 176.622 175.328 -0.128 0.000 1.103 120 H CA -0.072 55.919 56.048 -0.095 0.000 1.089 120 H CB 0.617 30.287 29.762 -0.153 0.000 1.603 120 H HN 0.278 nan 8.280 nan 0.000 0.557 121 T N -0.972 113.521 114.554 -0.102 0.000 3.071 121 T HA 0.189 4.539 4.350 -0.001 0.000 0.239 121 T C 0.115 174.576 174.700 -0.399 0.000 0.997 121 T CA 0.313 62.197 62.100 -0.359 0.000 1.134 121 T CB 0.351 68.802 68.868 -0.695 0.000 0.928 121 T HN 0.009 nan 8.240 nan 0.000 0.453 122 F N 1.017 120.984 119.950 0.027 0.000 2.450 122 F HA 0.662 5.189 4.527 -0.001 0.000 0.332 122 F C 1.166 176.985 175.800 0.031 0.000 1.093 122 F CA -1.141 56.880 58.000 0.036 0.000 1.003 122 F CB 1.251 40.283 39.000 0.053 0.000 1.151 122 F HN 0.117 nan 8.300 nan 0.000 0.474 123 G N 1.052 110.003 108.800 0.251 0.000 2.582 123 G HA2 0.298 4.257 3.960 -0.001 0.000 0.232 123 G HA3 0.298 4.257 3.960 -0.001 0.000 0.232 123 G C 0.069 175.084 174.900 0.192 0.000 1.458 123 G CA -0.479 44.729 45.100 0.181 0.000 1.062 123 G HN 0.422 nan 8.290 nan 0.000 0.566 124 K N 0.389 120.902 120.400 0.189 0.000 2.646 124 K HA 0.226 4.545 4.320 -0.001 0.000 0.206 124 K C 0.795 177.481 176.600 0.144 0.000 1.069 124 K CA -0.264 56.143 56.287 0.200 0.000 1.067 124 K CB 0.453 33.167 32.500 0.357 0.000 0.807 124 K HN 0.470 nan 8.250 nan 0.000 0.482 125 S N -0.186 115.584 115.700 0.118 0.000 2.624 125 S HA 0.148 4.618 4.470 -0.001 0.000 0.263 125 S C 1.376 176.004 174.600 0.046 0.000 1.287 125 S CA -0.639 57.609 58.200 0.080 0.000 0.990 125 S CB 1.029 64.279 63.200 0.082 0.000 0.950 125 S HN 0.132 nan 8.310 nan 0.000 0.561 126 L N 1.009 122.248 121.223 0.027 0.000 2.042 126 L HA -0.012 4.327 4.340 -0.001 0.000 0.210 126 L C 2.791 179.657 176.870 -0.007 0.000 1.076 126 L CA 1.809 56.655 54.840 0.011 0.000 0.749 126 L CB -0.850 41.215 42.059 0.010 0.000 0.893 126 L HN 0.889 nan 8.230 nan 0.000 0.432 127 R N -0.587 119.915 120.500 0.004 0.000 2.105 127 R HA -0.181 4.159 4.340 -0.001 0.000 0.239 127 R C 1.884 178.186 176.300 0.004 0.000 1.135 127 R CA 1.832 57.935 56.100 0.005 0.000 0.967 127 R CB -0.333 29.987 30.300 0.033 0.000 0.861 127 R HN 0.492 nan 8.270 nan 0.000 0.442 128 D N 0.493 120.912 120.400 0.032 0.000 2.097 128 D HA -0.160 4.480 4.640 -0.001 0.000 0.195 128 D C 2.027 178.184 176.300 -0.238 0.000 0.989 128 D CA 1.109 55.109 54.000 0.000 0.000 0.827 128 D CB -0.225 40.656 40.800 0.134 0.000 0.966 128 D HN 0.256 nan 8.370 nan 0.000 0.456 129 L N 0.608 121.754 121.223 -0.127 0.000 2.056 129 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 129 L C 2.485 179.247 176.870 -0.180 0.000 1.078 129 L CA 0.491 55.236 54.840 -0.159 0.000 0.749 129 L CB -0.251 41.764 42.059 -0.072 0.000 0.901 129 L HN 0.047 nan 8.230 nan 0.000 0.433 130 I N 0.104 120.601 120.570 -0.121 0.000 2.142 130 I HA -0.270 3.900 4.170 -0.001 0.000 0.240 130 I C 2.746 178.788 176.117 -0.124 0.000 1.078 130 I CA 1.584 62.827 61.300 -0.095 0.000 1.343 130 I CB -0.994 36.968 38.000 -0.063 0.000 1.046 130 I HN 0.300 nan 8.210 nan 0.000 0.405 131 R N 0.076 120.484 120.500 -0.154 0.000 2.083 131 R HA -0.158 4.181 4.340 -0.001 0.000 0.237 131 R C 2.338 178.477 176.300 -0.267 0.000 1.137 131 R CA 1.394 57.402 56.100 -0.154 0.000 0.951 131 R CB -0.781 29.484 30.300 -0.058 0.000 0.851 131 R HN 0.237 nan 8.270 nan 0.000 0.434 132 V N 1.345 120.915 119.914 -0.572 0.000 2.427 132 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 132 V C 2.055 178.064 176.094 -0.140 0.000 1.051 132 V CA 1.617 63.647 62.300 -0.451 0.000 1.048 132 V CB -0.298 31.146 31.823 -0.631 0.000 0.666 132 V HN 0.276 nan 8.190 nan 0.000 0.456 133 R N 0.296 120.691 120.500 -0.175 0.000 2.152 133 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 133 R C 1.893 178.163 176.300 -0.050 0.000 1.117 133 R CA 1.959 57.985 56.100 -0.124 0.000 0.981 133 R CB -0.360 29.858 30.300 -0.137 0.000 0.870 133 R HN 0.782 nan 8.270 nan 0.000 0.451 134 I N -3.975 116.573 120.570 -0.036 0.000 3.941 134 I HA 0.410 4.579 4.170 -0.001 0.000 0.335 134 I C 0.586 176.726 176.117 0.037 0.000 1.402 134 I CA 0.171 61.471 61.300 0.000 0.000 1.112 134 I CB 0.724 38.721 38.000 -0.005 0.000 1.043 134 I HN 0.123 nan 8.210 nan 0.000 0.395 135 G N 2.289 111.125 108.800 0.060 0.000 2.176 135 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.252 135 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.252 135 G C 0.172 175.147 174.900 0.126 0.000 1.024 135 G CA 0.545 45.712 45.100 0.111 0.000 0.755 135 G HN 0.723 nan 8.290 nan 0.000 0.507 136 Q N 0.175 120.044 119.800 0.115 0.000 2.553 136 Q HA 0.475 4.815 4.340 -0.001 0.000 0.221 136 Q C -0.341 175.823 176.000 0.274 0.000 1.219 136 Q CA -0.401 55.492 55.803 0.150 0.000 0.955 136 Q CB 0.517 29.317 28.738 0.104 0.000 1.399 136 Q HN 0.238 nan 8.270 nan 0.000 0.551 137 V N 5.600 125.662 119.914 0.248 0.000 2.235 137 V HA 0.172 4.292 4.120 -0.001 0.000 0.266 137 V C 0.406 176.557 176.094 0.095 0.000 1.055 137 V CA -0.352 62.103 62.300 0.258 0.000 0.844 137 V CB 0.865 32.824 31.823 0.228 0.000 1.097 137 V HN 0.702 nan 8.190 nan 0.000 0.453 138 K N 1.289 121.732 120.400 0.070 0.000 2.323 138 K HA 0.219 4.538 4.320 -0.001 0.000 0.197 138 K C 0.436 177.017 176.600 -0.032 0.000 1.043 138 K CA 0.358 56.662 56.287 0.028 0.000 0.997 138 K CB 0.353 32.880 32.500 0.044 0.000 0.807 138 K HN 0.455 nan 8.250 nan 0.000 0.497 139 N N 1.045 119.691 118.700 -0.091 0.000 2.599 139 N HA 0.168 4.908 4.740 -0.001 0.000 0.309 139 N C -1.089 174.317 175.510 -0.173 0.000 1.743 139 N CA -0.049 52.930 53.050 -0.120 0.000 0.918 139 N CB 1.469 39.885 38.487 -0.119 0.000 1.339 139 N HN 0.031 nan 8.380 nan 0.000 0.493 140 A N 1.647 124.369 122.820 -0.164 0.000 2.322 140 A HA 0.560 4.879 4.320 -0.001 0.000 0.269 140 A C -2.025 175.454 177.584 -0.175 0.000 1.094 140 A CA -1.052 50.875 52.037 -0.183 0.000 0.807 140 A CB 0.252 19.157 19.000 -0.157 0.000 1.047 140 A HN 0.055 nan 8.150 nan 0.000 0.487 141 P HA 0.113 nan 4.420 nan 0.000 0.272 141 P C -0.404 176.744 177.300 -0.254 0.000 1.230 141 P CA -0.193 62.788 63.100 -0.198 0.000 0.788 141 P CB 0.695 32.297 31.700 -0.164 0.000 0.949 142 D N -0.145 120.024 120.400 -0.385 0.000 2.234 142 D HA 0.038 4.678 4.640 -0.001 0.000 0.205 142 D C 0.591 176.682 176.300 -0.347 0.000 0.962 142 D CA 1.294 54.997 54.000 -0.495 0.000 0.855 142 D CB 0.187 40.332 40.800 -1.092 0.000 0.951 142 D HN 0.155 nan 8.370 nan 0.000 0.500 143 L N -0.101 120.956 121.223 -0.277 0.000 2.556 143 L HA 0.349 4.689 4.340 -0.001 0.000 0.257 143 L C -2.028 174.734 176.870 -0.179 0.000 0.955 143 L CA -0.720 54.039 54.840 -0.135 0.000 0.850 143 L CB 2.197 44.308 42.059 0.088 0.000 1.398 143 L HN -0.345 nan 8.230 nan 0.000 0.412 144 I N 3.708 124.130 120.570 -0.247 0.000 2.378 144 I HA 0.610 4.780 4.170 -0.001 0.000 0.291 144 I C -0.628 175.324 176.117 -0.276 0.000 0.992 144 I CA -0.470 60.616 61.300 -0.356 0.000 1.154 144 I CB 1.923 39.522 38.000 -0.667 0.000 1.315 144 I HN 0.255 nan 8.210 nan 0.000 0.448 145 V N 7.258 127.019 119.914 -0.254 0.000 2.459 145 V HA 0.456 4.575 4.120 -0.001 0.000 0.295 145 V C -0.317 175.630 176.094 -0.245 0.000 1.029 145 V CA -0.653 61.448 62.300 -0.332 0.000 0.874 145 V CB 1.709 33.264 31.823 -0.447 0.000 0.985 145 V HN 0.386 nan 8.190 nan 0.000 0.438 146 L N 7.457 128.546 121.223 -0.223 0.000 2.371 146 L HA 0.436 4.776 4.340 -0.001 0.000 0.262 146 L C -2.331 174.498 176.870 -0.070 0.000 1.054 146 L CA -1.321 53.481 54.840 -0.064 0.000 0.924 146 L CB 1.058 43.155 42.059 0.062 0.000 1.295 146 L HN 0.436 nan 8.230 nan 0.000 0.441 147 P HA 0.107 nan 4.420 nan 0.000 0.274 147 P C -0.052 177.375 177.300 0.211 0.000 1.231 147 P CA -0.040 63.132 63.100 0.120 0.000 0.790 147 P CB 0.781 32.600 31.700 0.199 0.000 0.951 148 H N -1.196 117.975 119.070 0.170 0.000 2.648 148 H HA 0.189 4.745 4.556 -0.001 0.000 0.265 148 H C 0.503 175.885 175.328 0.089 0.000 0.961 148 H CA -0.151 55.955 56.048 0.096 0.000 1.185 148 H CB 0.580 30.378 29.762 0.060 0.000 1.449 148 H HN 0.514 nan 8.280 nan 0.000 0.523 149 S N -1.693 114.147 115.700 0.233 0.000 2.567 149 S HA 0.004 4.474 4.470 -0.001 0.000 0.270 149 S C 0.174 174.888 174.600 0.190 0.000 1.152 149 S CA -0.877 57.437 58.200 0.190 0.000 0.835 149 S CB 1.817 65.120 63.200 0.172 0.000 1.115 149 S HN 0.277 nan 8.310 nan 0.000 0.459 150 H N 1.312 120.443 119.070 0.101 0.000 2.289 150 H HA -0.131 4.424 4.556 -0.001 0.000 0.294 150 H C 1.473 176.860 175.328 0.098 0.000 1.095 150 H CA 2.940 59.043 56.048 0.092 0.000 1.256 150 H CB -0.119 29.688 29.762 0.075 0.000 1.359 150 H HN 0.767 nan 8.280 nan 0.000 0.487 151 E N 0.302 120.594 120.200 0.154 0.000 2.118 151 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 151 E C 2.236 178.880 176.600 0.074 0.000 0.992 151 E CA 1.548 58.006 56.400 0.097 0.000 0.804 151 E CB -0.065 29.727 29.700 0.153 0.000 0.741 151 E HN 0.681 nan 8.360 nan 0.000 0.458 152 E N -0.173 120.120 120.200 0.155 0.000 2.152 152 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 152 E C 2.019 178.749 176.600 0.218 0.000 0.983 152 E CA 0.857 57.413 56.400 0.261 0.000 0.818 152 E CB 0.120 30.017 29.700 0.329 0.000 0.758 152 E HN 0.087 nan 8.360 nan 0.000 0.467 153 V N 1.616 121.596 119.914 0.111 0.000 2.343 153 V HA -0.254 3.866 4.120 -0.001 0.000 0.247 153 V C 2.051 178.121 176.094 -0.041 0.000 1.051 153 V CA 1.776 64.105 62.300 0.049 0.000 1.036 153 V CB -0.471 31.345 31.823 -0.011 0.000 0.654 153 V HN 0.226 nan 8.190 nan 0.000 0.451 154 E N 0.004 120.107 120.200 -0.161 0.000 2.058 154 E HA -0.308 4.041 4.350 -0.001 0.000 0.194 154 E C 2.397 178.928 176.600 -0.116 0.000 0.997 154 E CA 1.664 57.972 56.400 -0.152 0.000 0.801 154 E CB -0.212 29.384 29.700 -0.174 0.000 0.746 154 E HN 0.356 nan 8.360 nan 0.000 0.450 155 R N 1.033 121.423 120.500 -0.183 0.000 2.083 155 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 155 R C 2.230 178.436 176.300 -0.157 0.000 1.137 155 R CA 1.193 57.084 56.100 -0.349 0.000 0.951 155 R CB -0.774 28.927 30.300 -1.000 0.000 0.851 155 R HN 0.185 nan 8.270 nan 0.000 0.434 156 L N -0.184 121.059 121.223 0.033 0.000 2.012 156 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 156 L C 2.037 178.997 176.870 0.151 0.000 1.073 156 L CA 1.716 56.677 54.840 0.201 0.000 0.748 156 L CB -0.561 41.673 42.059 0.293 0.000 0.891 156 L HN 0.117 nan 8.230 nan 0.000 0.431 157 V N -0.518 119.446 119.914 0.083 0.000 2.453 157 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 157 V C 2.541 178.687 176.094 0.087 0.000 1.048 157 V CA 1.721 64.068 62.300 0.078 0.000 1.049 157 V CB -0.693 31.150 31.823 0.033 0.000 0.672 157 V HN 0.539 nan 8.190 nan 0.000 0.457 158 Q N -0.125 119.699 119.800 0.040 0.000 2.045 158 Q HA -0.238 4.102 4.340 -0.001 0.000 0.206 158 Q C 2.323 178.391 176.000 0.114 0.000 0.991 158 Q CA 1.969 57.800 55.803 0.046 0.000 0.851 158 Q CB -0.355 28.367 28.738 -0.026 0.000 0.911 158 Q HN 0.534 nan 8.270 nan 0.000 0.418 159 L N -0.047 121.261 121.223 0.142 0.000 2.046 159 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 159 L C 2.546 179.662 176.870 0.411 0.000 1.077 159 L CA 0.938 55.963 54.840 0.308 0.000 0.747 159 L CB -0.630 41.608 42.059 0.299 0.000 0.896 159 L HN 0.233 nan 8.230 nan 0.000 0.432 160 A N -0.571 122.434 122.820 0.308 0.000 1.902 160 A HA -0.301 4.018 4.320 -0.001 0.000 0.217 160 A C 2.114 179.737 177.584 0.066 0.000 1.181 160 A CA 2.019 54.109 52.037 0.089 0.000 0.623 160 A CB -0.830 18.220 19.000 0.084 0.000 0.818 160 A HN 0.527 nan 8.150 nan 0.000 0.443 161 H N -0.097 118.991 119.070 0.029 0.000 2.357 161 H HA -0.086 4.470 4.556 -0.001 0.000 0.301 161 H C 2.052 177.365 175.328 -0.025 0.000 1.082 161 H CA 2.135 58.182 56.048 -0.001 0.000 1.342 161 H CB -0.097 29.662 29.762 -0.006 0.000 1.389 161 H HN 0.475 nan 8.280 nan 0.000 0.511 162 K N -0.567 119.809 120.400 -0.041 0.000 2.032 162 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 162 K C 1.170 177.564 176.600 -0.343 0.000 1.048 162 K CA 1.808 57.962 56.287 -0.223 0.000 0.927 162 K CB -0.198 32.157 32.500 -0.242 0.000 0.712 162 K HN 0.393 nan 8.250 nan 0.000 0.441 163 Y N 0.437 120.685 120.300 -0.086 0.000 2.466 163 Y HA 0.106 4.656 4.550 -0.001 0.000 0.272 163 Y C 0.194 176.070 175.900 -0.040 0.000 1.169 163 Y CA 0.073 58.121 58.100 -0.086 0.000 1.285 163 Y CB 0.194 38.482 38.460 -0.287 0.000 1.078 163 Y HN 0.223 nan 8.280 nan 0.000 0.523 164 N N 0.771 119.460 118.700 -0.017 0.000 2.663 164 N HA -0.168 4.571 4.740 -0.001 0.000 0.263 164 N C -1.722 173.789 175.510 0.001 0.000 1.109 164 N CA 0.343 53.374 53.050 -0.030 0.000 0.701 164 N CB -1.218 37.254 38.487 -0.026 0.000 0.879 164 N HN 0.027 nan 8.380 nan 0.000 0.550 165 V N 2.070 121.929 119.914 -0.092 0.000 2.540 165 V HA 0.430 4.550 4.120 -0.001 0.000 0.302 165 V C 0.585 176.655 176.094 -0.041 0.000 1.035 165 V CA -0.939 61.280 62.300 -0.136 0.000 0.873 165 V CB 2.091 33.515 31.823 -0.664 0.000 0.992 165 V HN 0.142 nan 8.190 nan 0.000 0.428 166 V N 6.680 126.598 119.914 0.008 0.000 2.572 166 V HA 0.295 4.414 4.120 -0.001 0.000 0.291 166 V C 0.090 176.197 176.094 0.022 0.000 1.039 166 V CA 0.170 62.478 62.300 0.014 0.000 1.055 166 V CB 0.945 32.772 31.823 0.007 0.000 0.969 166 V HN 0.732 nan 8.190 nan 0.000 0.482 167 I N 3.657 124.246 120.570 0.032 0.000 2.509 167 I HA 0.682 4.852 4.170 -0.001 0.000 0.293 167 I C -0.814 175.322 176.117 0.032 0.000 1.020 167 I CA -0.689 60.635 61.300 0.040 0.000 1.088 167 I CB 2.012 40.047 38.000 0.059 0.000 1.267 167 I HN 0.341 nan 8.210 nan 0.000 0.430 168 I N 6.702 127.286 120.570 0.023 0.000 2.476 168 I HA 0.388 4.558 4.170 -0.001 0.000 0.281 168 I C -2.425 173.709 176.117 0.028 0.000 1.040 168 I CA -1.933 59.380 61.300 0.023 0.000 1.094 168 I CB 2.078 40.084 38.000 0.009 0.000 1.219 168 I HN 0.382 nan 8.210 nan 0.000 0.450 169 P HA 0.221 nan 4.420 nan 0.000 0.275 169 P C -0.980 176.338 177.300 0.031 0.000 1.228 169 P CA -0.397 62.721 63.100 0.030 0.000 0.786 169 P CB 1.333 33.048 31.700 0.025 0.000 0.927 170 M N 1.586 121.209 119.600 0.038 0.000 2.457 170 M HA 0.691 5.170 4.480 -0.001 0.000 0.300 170 M C -0.223 176.083 176.300 0.011 0.000 1.141 170 M CA -0.253 55.064 55.300 0.028 0.000 0.901 170 M CB 2.274 34.898 32.600 0.041 0.000 1.687 170 M HN 0.366 nan 8.290 nan 0.000 0.449 171 G N 1.293 110.085 108.800 -0.013 0.000 2.968 171 G HA2 0.401 4.360 3.960 -0.001 0.000 0.206 171 G HA3 0.401 4.360 3.960 -0.001 0.000 0.206 171 G C 0.632 175.508 174.900 -0.040 0.000 2.051 171 G CA 0.094 45.167 45.100 -0.045 0.000 0.773 171 G HN 0.927 nan 8.290 nan 0.000 0.741 172 G N -0.407 108.368 108.800 -0.041 0.000 2.813 172 G HA2 0.360 4.320 3.960 -0.001 0.000 0.209 172 G HA3 0.360 4.320 3.960 -0.001 0.000 0.209 172 G C 1.293 176.181 174.900 -0.019 0.000 1.150 172 G CA 0.887 45.970 45.100 -0.028 0.000 0.785 172 G HN 1.832 nan 8.290 nan 0.000 0.535 173 G N 0.340 109.142 108.800 0.003 0.000 2.225 173 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.267 173 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.267 173 G C 1.302 176.254 174.900 0.087 0.000 1.024 173 G CA 1.299 46.414 45.100 0.024 0.000 0.784 173 G HN 1.349 nan 8.290 nan 0.000 0.507 174 S N -0.715 115.066 115.700 0.134 0.000 2.558 174 S HA 0.102 4.572 4.470 -0.001 0.000 0.217 174 S C 0.973 175.732 174.600 0.264 0.000 0.975 174 S CA 0.565 58.920 58.200 0.259 0.000 0.912 174 S CB -0.095 63.311 63.200 0.343 0.000 0.776 174 S HN 1.254 nan 8.310 nan 0.000 0.526 175 N N 1.839 120.655 118.700 0.194 0.000 2.416 175 N HA 0.137 4.876 4.740 -0.001 0.000 0.246 175 N C 0.618 176.225 175.510 0.161 0.000 1.260 175 N CA 0.096 53.249 53.050 0.173 0.000 0.897 175 N CB 0.145 38.714 38.487 0.136 0.000 1.110 175 N HN 0.507 nan 8.380 nan 0.000 0.439 176 I N -1.694 118.964 120.570 0.145 0.000 4.009 176 I HA 0.201 4.371 4.170 -0.001 0.000 0.331 176 I C 0.335 176.514 176.117 0.103 0.000 1.462 176 I CA -0.549 60.826 61.300 0.125 0.000 1.117 176 I CB 0.337 38.407 38.000 0.117 0.000 1.091 176 I HN 0.468 nan 8.210 nan 0.000 0.410 177 V N -1.761 118.212 119.914 0.099 0.000 3.376 177 V HA 0.632 4.751 4.120 -0.001 0.000 0.313 177 V C 1.288 177.425 176.094 0.073 0.000 1.393 177 V CA 0.291 62.639 62.300 0.081 0.000 1.125 177 V CB -0.651 31.217 31.823 0.075 0.000 1.037 177 V HN 0.559 nan 8.190 nan 0.000 0.440 178 G N 0.451 109.301 108.800 0.084 0.000 2.160 178 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.251 178 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.251 178 G C 0.967 175.898 174.900 0.052 0.000 1.008 178 G CA 0.476 45.620 45.100 0.072 0.000 0.724 178 G HN 1.483 nan 8.290 nan 0.000 0.514 179 A N -0.162 122.694 122.820 0.059 0.000 2.067 179 A HA 0.322 4.642 4.320 -0.001 0.000 0.219 179 A C 2.221 179.827 177.584 0.037 0.000 1.158 179 A CA 1.767 53.834 52.037 0.049 0.000 0.661 179 A CB -0.284 18.752 19.000 0.060 0.000 0.801 179 A HN 1.572 nan 8.150 nan 0.000 0.452 180 I N -3.437 117.152 120.570 0.032 0.000 3.956 180 I HA 0.275 4.444 4.170 -0.001 0.000 0.333 180 I C 0.542 176.647 176.117 -0.019 0.000 1.302 180 I CA -0.130 61.178 61.300 0.013 0.000 1.122 180 I CB 0.098 38.107 38.000 0.016 0.000 1.013 180 I HN 0.168 nan 8.210 nan 0.000 0.405 181 E N 3.678 123.862 120.200 -0.027 0.000 2.223 181 E HA 0.298 4.648 4.350 -0.001 0.000 0.282 181 E C -2.173 174.391 176.600 -0.061 0.000 1.046 181 E CA -2.225 54.128 56.400 -0.078 0.000 0.857 181 E CB 0.623 30.281 29.700 -0.069 0.000 1.055 181 E HN 0.142 nan 8.360 nan 0.000 0.409 182 P HA -0.113 nan 4.420 nan 0.000 0.266 182 P C 0.521 177.794 177.300 -0.046 0.000 1.195 182 P CA 0.009 63.072 63.100 -0.061 0.000 0.768 182 P CB 0.848 32.497 31.700 -0.085 0.000 0.838 183 V N 0.334 120.233 119.914 -0.025 0.000 3.174 183 V HA 0.107 4.227 4.120 -0.001 0.000 0.254 183 V C 0.560 176.644 176.094 -0.016 0.000 1.120 183 V CA 1.400 63.692 62.300 -0.013 0.000 1.114 183 V CB -0.672 31.152 31.823 0.002 0.000 0.756 183 V HN 0.643 nan 8.190 nan 0.000 0.467 184 S N 0.738 116.425 115.700 -0.022 0.000 2.672 184 S HA 0.492 4.961 4.470 -0.001 0.000 0.271 184 S C -0.519 174.061 174.600 -0.034 0.000 1.171 184 S CA -0.115 58.072 58.200 -0.022 0.000 0.817 184 S CB 1.480 64.673 63.200 -0.012 0.000 1.150 184 S HN 0.553 nan 8.310 nan 0.000 0.478 185 N N -0.700 117.980 118.700 -0.033 0.000 2.377 185 N HA 0.211 4.950 4.740 -0.001 0.000 0.259 185 N C 0.056 175.547 175.510 -0.033 0.000 1.332 185 N CA -0.277 52.747 53.050 -0.044 0.000 0.877 185 N CB 0.052 38.506 38.487 -0.056 0.000 1.299 185 N HN 0.627 nan 8.380 nan 0.000 0.501 186 E N 1.002 121.188 120.200 -0.023 0.000 2.058 186 E HA -0.052 4.298 4.350 -0.001 0.000 0.194 186 E C 0.250 176.838 176.600 -0.019 0.000 0.997 186 E CA 1.330 57.717 56.400 -0.021 0.000 0.801 186 E CB 0.098 29.788 29.700 -0.017 0.000 0.746 186 E HN 0.393 nan 8.360 nan 0.000 0.450 187 R N -0.221 120.274 120.500 -0.008 0.000 2.598 187 R HA 0.291 4.630 4.340 -0.001 0.000 0.279 187 R C -0.539 175.796 176.300 0.059 0.000 0.984 187 R CA -0.944 55.168 56.100 0.021 0.000 0.999 187 R CB 0.681 30.995 30.300 0.023 0.000 1.114 187 R HN 0.012 nan 8.270 nan 0.000 0.493 188 F N 1.484 121.418 119.950 -0.026 0.000 2.623 188 F HA -0.058 4.469 4.527 -0.001 0.000 0.383 188 F C 0.537 176.326 175.800 -0.019 0.000 1.077 188 F CA 1.058 59.070 58.000 0.020 0.000 1.268 188 F CB 0.646 39.739 39.000 0.155 0.000 1.053 188 F HN 0.333 nan 8.300 nan 0.000 0.571 189 T N 5.708 120.088 114.554 -0.290 0.000 2.812 189 T HA 0.619 4.969 4.350 -0.001 0.000 0.282 189 T C -1.232 173.358 174.700 -0.183 0.000 0.990 189 T CA -0.768 61.239 62.100 -0.156 0.000 0.960 189 T CB 0.944 69.746 68.868 -0.110 0.000 0.948 189 T HN 0.387 nan 8.240 nan 0.000 0.438 190 V N 4.494 124.399 119.914 -0.014 0.000 2.398 190 V HA 0.561 4.681 4.120 -0.001 0.000 0.286 190 V C 0.605 176.686 176.094 -0.021 0.000 1.026 190 V CA -0.815 61.497 62.300 0.019 0.000 0.868 190 V CB 1.536 33.459 31.823 0.166 0.000 0.982 190 V HN 1.038 nan 8.190 nan 0.000 0.443 191 S N 6.028 121.689 115.700 -0.066 0.000 2.465 191 S HA 0.518 4.987 4.470 -0.001 0.000 0.279 191 S C -0.319 174.253 174.600 -0.048 0.000 1.201 191 S CA -0.556 57.620 58.200 -0.040 0.000 1.053 191 S CB 0.027 63.208 63.200 -0.033 0.000 0.953 191 S HN 0.543 nan 8.310 nan 0.000 0.488 192 I N 4.770 125.339 120.570 -0.002 0.000 2.282 192 I HA 0.184 4.353 4.170 -0.001 0.000 0.290 192 I C 0.125 176.263 176.117 0.034 0.000 1.090 192 I CA -0.526 60.770 61.300 -0.006 0.000 1.231 192 I CB 0.640 38.648 38.000 0.014 0.000 1.434 192 I HN 0.569 nan 8.210 nan 0.000 0.487 193 D N 7.449 127.877 120.400 0.046 0.000 2.338 193 D HA 0.098 4.737 4.640 -0.001 0.000 0.255 193 D C 0.811 177.162 176.300 0.086 0.000 1.237 193 D CA -0.166 53.909 54.000 0.124 0.000 0.883 193 D CB 1.083 42.024 40.800 0.236 0.000 1.087 193 D HN 0.355 nan 8.370 nan 0.000 0.485 194 M N 3.398 123.037 119.600 0.064 0.000 2.618 194 M HA 0.043 4.523 4.480 -0.001 0.000 0.240 194 M C 1.439 177.772 176.300 0.054 0.000 1.123 194 M CA 0.322 55.651 55.300 0.049 0.000 1.060 194 M CB -0.351 32.257 32.600 0.013 0.000 1.535 194 M HN 0.331 nan 8.290 nan 0.000 0.507 195 R N -0.034 120.510 120.500 0.075 0.000 2.280 195 R HA 0.017 4.356 4.340 -0.001 0.000 0.207 195 R C 1.803 178.153 176.300 0.084 0.000 1.043 195 R CA 0.495 56.631 56.100 0.059 0.000 1.006 195 R CB 0.022 30.361 30.300 0.065 0.000 0.885 195 R HN 0.384 nan 8.270 nan 0.000 0.467 196 R N -0.141 120.437 120.500 0.129 0.000 2.275 196 R HA 0.124 4.464 4.340 -0.001 0.000 0.199 196 R C 0.450 176.798 176.300 0.080 0.000 0.989 196 R CA 0.468 56.645 56.100 0.130 0.000 1.016 196 R CB 0.206 30.641 30.300 0.226 0.000 0.918 196 R HN 0.091 nan 8.270 nan 0.000 0.473 197 M N 1.910 121.557 119.600 0.078 0.000 3.176 197 M HA 0.095 4.575 4.480 -0.001 0.000 0.284 197 M C -0.142 176.160 176.300 0.005 0.000 1.392 197 M CA 0.211 55.542 55.300 0.052 0.000 1.520 197 M CB 0.131 32.774 32.600 0.072 0.000 1.100 197 M HN 0.171 nan 8.290 nan 0.000 0.555 198 N N 0.147 118.842 118.700 -0.009 0.000 2.451 198 N HA 0.196 4.935 4.740 -0.001 0.000 0.271 198 N C -0.947 174.540 175.510 -0.039 0.000 1.410 198 N CA -0.693 52.336 53.050 -0.036 0.000 0.884 198 N CB 0.786 39.255 38.487 -0.030 0.000 1.332 198 N HN 0.279 nan 8.380 nan 0.000 0.498 199 K N 0.682 121.061 120.400 -0.034 0.000 2.164 199 K HA 0.360 4.680 4.320 -0.001 0.000 0.258 199 K C -0.550 176.016 176.600 -0.055 0.000 0.951 199 K CA -0.891 55.376 56.287 -0.035 0.000 0.844 199 K CB 2.938 35.426 32.500 -0.020 0.000 1.099 199 K HN -0.106 nan 8.250 nan 0.000 0.435 200 V N 5.297 125.178 119.914 -0.054 0.000 2.439 200 V HA -0.003 4.116 4.120 -0.001 0.000 0.271 200 V C 1.293 177.345 176.094 -0.069 0.000 1.040 200 V CA 0.128 62.379 62.300 -0.081 0.000 1.002 200 V CB 0.092 31.884 31.823 -0.052 0.000 1.000 200 V HN 0.714 nan 8.190 nan 0.000 0.477 201 L N 5.111 126.256 121.223 -0.129 0.000 2.127 201 L HA 0.177 4.517 4.340 -0.001 0.000 0.203 201 L C 0.783 177.689 176.870 0.061 0.000 1.080 201 L CA 0.980 55.783 54.840 -0.061 0.000 0.768 201 L CB -0.037 41.969 42.059 -0.088 0.000 0.924 201 L HN 0.718 nan 8.230 nan 0.000 0.444 202 W N -2.416 118.890 121.300 0.010 0.000 3.074 202 W HA 0.668 5.328 4.660 -0.000 0.000 0.332 202 W C -1.843 174.682 176.519 0.009 0.000 1.253 202 W CA -0.959 56.391 57.345 0.008 0.000 1.180 202 W CB 1.351 30.815 29.460 0.006 0.000 1.445 202 W HN -0.540 nan 8.180 nan 0.000 0.573 203 V N 1.984 122.147 119.914 0.416 0.000 2.482 203 V HA 0.131 4.250 4.120 -0.001 0.000 0.295 203 V C -0.792 175.511 176.094 0.347 0.000 1.026 203 V CA -0.224 62.257 62.300 0.301 0.000 0.856 203 V CB 1.438 33.339 31.823 0.130 0.000 1.001 203 V HN 0.498 nan 8.190 nan 0.000 0.424 204 D N 3.811 124.460 120.400 0.416 0.000 2.396 204 D HA 0.272 4.912 4.640 -0.001 0.000 0.225 204 D C 0.970 177.354 176.300 0.140 0.000 1.121 204 D CA -0.248 53.880 54.000 0.213 0.000 0.853 204 D CB 1.219 42.129 40.800 0.183 0.000 1.043 204 D HN 0.412 nan 8.370 nan 0.000 0.500 205 R N 2.624 123.176 120.500 0.086 0.000 2.240 205 R HA 0.092 4.431 4.340 -0.001 0.000 0.203 205 R C 1.850 178.181 176.300 0.050 0.000 1.011 205 R CA 0.514 56.651 56.100 0.061 0.000 1.007 205 R CB 0.454 30.778 30.300 0.040 0.000 0.911 205 R HN 0.346 nan 8.270 nan 0.000 0.468 206 R N -0.001 120.525 120.500 0.043 0.000 2.055 206 R HA -0.027 4.313 4.340 -0.001 0.000 0.226 206 R C 1.631 177.959 176.300 0.046 0.000 1.135 206 R CA 0.973 57.093 56.100 0.034 0.000 0.959 206 R CB 0.081 30.390 30.300 0.014 0.000 0.854 206 R HN 0.097 nan 8.270 nan 0.000 0.431 207 E N 0.134 120.370 120.200 0.060 0.000 2.427 207 E HA -0.024 4.326 4.350 -0.001 0.000 0.196 207 E C 0.231 176.888 176.600 0.095 0.000 1.028 207 E CA 0.182 56.628 56.400 0.077 0.000 0.864 207 E CB 0.243 29.998 29.700 0.091 0.000 0.813 207 E HN 0.197 nan 8.360 nan 0.000 0.514 208 M N 1.150 120.808 119.600 0.097 0.000 2.253 208 M HA -0.151 4.328 4.480 -0.001 0.000 0.195 208 M C -0.265 176.101 176.300 0.111 0.000 0.512 208 M CA 0.964 56.322 55.300 0.096 0.000 0.442 208 M CB -2.780 29.873 32.600 0.089 0.000 1.189 208 M HN 0.120 nan 8.290 nan 0.000 0.923 209 T N -1.936 112.711 114.554 0.155 0.000 2.906 209 T HA 0.940 5.289 4.350 -0.001 0.000 0.295 209 T C -0.301 174.489 174.700 0.150 0.000 1.075 209 T CA -0.293 61.902 62.100 0.159 0.000 1.005 209 T CB 2.807 71.820 68.868 0.241 0.000 1.136 209 T HN 0.741 nan 8.240 nan 0.000 0.498 210 A N 0.541 123.335 122.820 -0.044 0.000 2.393 210 A HA 0.695 5.014 4.320 -0.001 0.000 0.306 210 A C -0.246 176.984 177.584 -0.590 0.000 1.050 210 A CA -0.878 51.009 52.037 -0.250 0.000 0.724 210 A CB 1.206 20.129 19.000 -0.128 0.000 1.248 210 A HN 1.211 nan 8.150 nan 0.000 0.424 211 C N 3.579 122.132 119.300 -1.246 0.000 2.347 211 C HA 0.785 5.244 4.460 -0.001 0.000 0.353 211 C C -0.430 174.214 174.990 -0.577 0.000 1.273 211 C CA -0.302 58.082 59.018 -1.056 0.000 1.861 211 C CB -1.768 24.948 27.740 -1.705 0.000 2.420 211 C HN 0.575 nan 8.230 nan 0.000 0.542 212 I N 5.993 126.372 120.570 -0.319 0.000 2.534 212 I HA 0.263 4.433 4.170 -0.001 0.000 0.288 212 I C -0.350 175.692 176.117 -0.126 0.000 1.077 212 I CA -0.372 60.813 61.300 -0.192 0.000 1.051 212 I CB 1.826 39.742 38.000 -0.140 0.000 1.234 212 I HN 0.598 nan 8.210 nan 0.000 0.425 213 Q N 3.708 123.453 119.800 -0.092 0.000 2.289 213 Q HA 0.063 4.403 4.340 -0.001 0.000 0.273 213 Q C 1.197 177.152 176.000 -0.075 0.000 1.029 213 Q CA -0.195 55.578 55.803 -0.051 0.000 0.896 213 Q CB 1.738 30.463 28.738 -0.021 0.000 1.182 213 Q HN 0.740 nan 8.270 nan 0.000 0.385 214 V N 0.490 120.363 119.914 -0.069 0.000 3.380 214 V HA 0.042 4.162 4.120 -0.001 0.000 0.268 214 V C 1.394 177.396 176.094 -0.153 0.000 1.168 214 V CA 1.494 63.719 62.300 -0.125 0.000 1.156 214 V CB -0.454 31.295 31.823 -0.123 0.000 0.785 214 V HN 0.869 nan 8.190 nan 0.000 0.487 215 G N 0.246 108.988 108.800 -0.097 0.000 2.776 215 G HA2 0.039 3.999 3.960 -0.001 0.000 0.209 215 G HA3 0.039 3.999 3.960 -0.001 0.000 0.209 215 G C 0.680 175.503 174.900 -0.129 0.000 1.145 215 G CA 0.137 45.183 45.100 -0.091 0.000 0.791 215 G HN 0.579 nan 8.290 nan 0.000 0.530 216 I N 1.794 122.268 120.570 -0.161 0.000 2.648 216 I HA 0.124 4.293 4.170 -0.001 0.000 0.284 216 I C 0.540 176.492 176.117 -0.275 0.000 1.153 216 I CA -0.618 60.577 61.300 -0.174 0.000 1.426 216 I CB 0.690 38.600 38.000 -0.149 0.000 1.381 216 I HN -0.045 nan 8.210 nan 0.000 0.571 217 M N 5.684 125.136 119.600 -0.246 0.000 2.227 217 M HA 0.180 4.659 4.480 -0.001 0.000 0.316 217 M C 1.434 177.494 176.300 -0.399 0.000 1.144 217 M CA 0.067 55.172 55.300 -0.326 0.000 1.121 217 M CB 0.561 33.002 32.600 -0.266 0.000 1.440 217 M HN 0.782 nan 8.290 nan 0.000 0.473 218 G N 1.830 110.307 108.800 -0.539 0.000 2.514 218 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.217 218 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.217 218 G C -1.223 173.299 174.900 -0.629 0.000 1.198 218 G CA 0.755 45.428 45.100 -0.712 0.000 0.780 218 G HN 0.529 nan 8.290 nan 0.000 0.565 219 P HA 0.026 nan 4.420 nan 0.000 0.219 219 P C 1.467 178.739 177.300 -0.046 0.000 1.150 219 P CA 1.300 64.321 63.100 -0.133 0.000 0.814 219 P CB 0.159 31.764 31.700 -0.160 0.000 0.787 220 E N 0.000 120.127 120.200 -0.122 0.000 2.051 220 E HA -0.186 4.164 4.350 -0.001 0.000 0.192 220 E C 1.792 178.377 176.600 -0.025 0.000 0.991 220 E CA 0.940 57.299 56.400 -0.067 0.000 0.799 220 E CB -1.261 28.384 29.700 -0.093 0.000 0.748 220 E HN -0.015 nan 8.360 nan 0.000 0.449 221 L N 1.054 122.256 121.223 -0.034 0.000 1.990 221 L HA -0.188 4.151 4.340 -0.001 0.000 0.213 221 L C 1.972 178.901 176.870 0.097 0.000 1.072 221 L CA 2.091 56.945 54.840 0.024 0.000 0.755 221 L CB -0.693 41.391 42.059 0.042 0.000 0.889 221 L HN 0.120 nan 8.230 nan 0.000 0.432 222 E N -0.114 120.194 120.200 0.181 0.000 2.110 222 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 222 E C 2.165 178.853 176.600 0.147 0.000 0.988 222 E CA 1.252 57.773 56.400 0.201 0.000 0.804 222 E CB -0.276 29.606 29.700 0.303 0.000 0.745 222 E HN 0.581 nan 8.360 nan 0.000 0.458 223 K N 0.674 121.137 120.400 0.106 0.000 2.009 223 K HA -0.190 4.130 4.320 -0.001 0.000 0.210 223 K C 2.121 178.778 176.600 0.095 0.000 1.049 223 K CA 1.362 57.697 56.287 0.079 0.000 0.929 223 K CB 0.150 32.675 32.500 0.040 0.000 0.714 223 K HN -0.050 nan 8.250 nan 0.000 0.440 224 Q N 0.497 120.335 119.800 0.064 0.000 2.119 224 Q HA -0.102 4.237 4.340 -0.001 0.000 0.201 224 Q C 2.271 178.304 176.000 0.054 0.000 0.972 224 Q CA 1.139 56.971 55.803 0.049 0.000 0.847 224 Q CB -0.142 28.607 28.738 0.019 0.000 0.903 224 Q HN 0.415 nan 8.270 nan 0.000 0.433 225 L N -0.007 121.252 121.223 0.061 0.000 2.056 225 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 225 L C 2.651 179.555 176.870 0.056 0.000 1.078 225 L CA 1.107 55.972 54.840 0.041 0.000 0.749 225 L CB -0.649 41.423 42.059 0.022 0.000 0.901 225 L HN 0.348 nan 8.230 nan 0.000 0.433 226 H N 1.377 120.455 119.070 0.013 0.000 2.353 226 H HA -0.161 4.394 4.556 -0.001 0.000 0.300 226 H C 2.018 177.357 175.328 0.019 0.000 1.090 226 H CA 1.507 57.565 56.048 0.017 0.000 1.327 226 H CB 0.229 30.010 29.762 0.032 0.000 1.383 226 H HN 0.246 nan 8.280 nan 0.000 0.508 227 K N 0.020 120.493 120.400 0.121 0.000 2.228 227 K HA -0.156 4.163 4.320 -0.001 0.000 0.205 227 K C 1.556 178.153 176.600 -0.005 0.000 1.045 227 K CA 1.267 57.590 56.287 0.062 0.000 0.931 227 K CB 0.074 32.614 32.500 0.067 0.000 0.727 227 K HN 0.472 nan 8.250 nan 0.000 0.458 228 Q N -0.829 118.960 119.800 -0.017 0.000 2.188 228 Q HA 0.095 4.435 4.340 -0.001 0.000 0.212 228 Q C 0.637 176.606 176.000 -0.053 0.000 0.846 228 Q CA 0.415 56.207 55.803 -0.019 0.000 0.989 228 Q CB 1.519 30.264 28.738 0.012 0.000 1.114 228 Q HN 0.516 nan 8.270 nan 0.000 0.488 229 G N 1.112 109.835 108.800 -0.129 0.000 2.162 229 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 229 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 229 G C 0.362 175.197 174.900 -0.110 0.000 0.976 229 G CA 0.606 45.615 45.100 -0.153 0.000 0.655 229 G HN 0.384 nan 8.290 nan 0.000 0.533 230 V N -3.564 116.295 119.914 -0.091 0.000 3.158 230 V HA 0.986 5.106 4.120 -0.001 0.000 0.315 230 V C 0.014 176.024 176.094 -0.139 0.000 1.148 230 V CA -0.100 62.139 62.300 -0.103 0.000 1.042 230 V CB 1.975 33.751 31.823 -0.078 0.000 1.101 230 V HN 1.160 nan 8.190 nan 0.000 0.448 231 S N -0.305 115.191 115.700 -0.341 0.000 2.556 231 S HA 0.630 5.100 4.470 -0.001 0.000 0.271 231 S C -0.173 174.058 174.600 -0.615 0.000 1.135 231 S CA -0.171 57.791 58.200 -0.397 0.000 0.858 231 S CB 1.834 64.818 63.200 -0.361 0.000 1.114 231 S HN 1.135 nan 8.310 nan 0.000 0.468 232 L N 4.233 125.304 121.223 -0.253 0.000 2.200 232 L HA 0.509 4.848 4.340 -0.001 0.000 0.200 232 L C 1.654 178.500 176.870 -0.039 0.000 1.072 232 L CA 2.295 57.074 54.840 -0.101 0.000 0.787 232 L CB -0.767 41.368 42.059 0.128 0.000 0.957 232 L HN 1.252 nan 8.230 nan 0.000 0.459 233 G N -1.186 107.628 108.800 0.023 0.000 2.136 233 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.242 233 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.242 233 G C 0.018 175.046 174.900 0.213 0.000 0.989 233 G CA 0.468 45.614 45.100 0.077 0.000 0.682 233 G HN 0.651 nan 8.290 nan 0.000 0.522 234 H N 0.663 119.765 119.070 0.052 0.000 2.723 234 H HA 0.560 5.116 4.556 -0.001 0.000 0.294 234 H C -0.580 174.628 175.328 -0.200 0.000 1.079 234 H CA -0.165 55.827 56.048 -0.094 0.000 1.411 234 H CB 1.280 30.907 29.762 -0.225 0.000 1.439 234 H HN 0.090 nan 8.280 nan 0.000 0.474 235 D N 7.442 127.514 120.400 -0.546 0.000 2.513 235 D HA 0.204 4.844 4.640 -0.001 0.000 0.295 235 D C -2.881 173.304 176.300 -0.191 0.000 1.202 235 D CA -2.092 51.731 54.000 -0.296 0.000 0.849 235 D CB 0.742 41.516 40.800 -0.045 0.000 1.116 235 D HN 0.343 nan 8.370 nan 0.000 0.502 236 P HA 0.171 nan 4.420 nan 0.000 0.272 236 P C 0.306 177.727 177.300 0.202 0.000 1.230 236 P CA -0.229 62.852 63.100 -0.032 0.000 0.788 236 P CB 1.141 32.778 31.700 -0.105 0.000 0.949 237 D N -0.097 120.427 120.400 0.206 0.000 2.351 237 D HA -0.091 4.549 4.640 -0.001 0.000 0.216 237 D C 1.371 177.835 176.300 0.273 0.000 0.968 237 D CA 1.302 55.390 54.000 0.148 0.000 0.899 237 D CB -0.316 40.436 40.800 -0.080 0.000 0.907 237 D HN 0.377 nan 8.370 nan 0.000 0.514 238 S N -0.746 115.131 115.700 0.296 0.000 2.597 238 S HA 0.032 4.501 4.470 -0.001 0.000 0.224 238 S C 1.560 176.397 174.600 0.394 0.000 0.955 238 S CA -0.654 57.819 58.200 0.455 0.000 0.933 238 S CB -0.573 62.925 63.200 0.497 0.000 0.788 238 S HN 0.178 nan 8.310 nan 0.000 0.488 239 F N 3.256 123.251 119.950 0.073 0.000 2.106 239 F HA -0.253 4.274 4.527 -0.001 0.000 0.299 239 F C 1.982 177.728 175.800 -0.089 0.000 1.082 239 F CA 2.153 60.154 58.000 0.000 0.000 1.244 239 F CB -0.389 38.481 39.000 -0.217 0.000 0.997 239 F HN 0.282 nan 8.300 nan 0.000 0.486 240 E N -1.384 118.561 120.200 -0.425 0.000 2.204 240 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 240 E C 0.544 176.475 176.600 -1.115 0.000 0.989 240 E CA 0.918 56.808 56.400 -0.850 0.000 0.824 240 E CB -0.191 29.012 29.700 -0.828 0.000 0.756 240 E HN 0.463 nan 8.360 nan 0.000 0.477 241 F N 0.046 119.895 119.950 -0.168 0.000 2.790 241 F HA 0.207 4.734 4.527 -0.001 0.000 0.371 241 F C -0.046 175.664 175.800 -0.151 0.000 1.293 241 F CA -0.586 57.249 58.000 -0.275 0.000 1.205 241 F CB 0.795 39.405 39.000 -0.650 0.000 1.047 241 F HN -0.191 nan 8.300 nan 0.000 0.510 242 S N -1.184 114.521 115.700 0.009 0.000 2.651 242 S HA 0.876 5.345 4.470 -0.001 0.000 0.279 242 S C -0.366 174.090 174.600 -0.239 0.000 1.148 242 S CA -0.594 57.641 58.200 0.059 0.000 0.837 242 S CB 2.348 65.786 63.200 0.397 0.000 1.138 242 S HN 0.098 nan 8.310 nan 0.000 0.478 243 T N -1.159 113.112 114.554 -0.471 0.000 2.930 243 T HA 0.568 4.917 4.350 -0.001 0.000 0.290 243 T C 0.838 174.781 174.700 -1.262 0.000 1.052 243 T CA -0.751 60.921 62.100 -0.715 0.000 1.017 243 T CB 1.178 69.819 68.868 -0.378 0.000 1.137 243 T HN 0.706 nan 8.240 nan 0.000 0.511 244 L N 1.912 122.486 121.223 -1.082 0.000 2.079 244 L HA 0.183 4.523 4.340 -0.001 0.000 0.210 244 L C 2.382 179.003 176.870 -0.414 0.000 1.081 244 L CA 2.649 56.985 54.840 -0.841 0.000 0.752 244 L CB -1.358 40.451 42.059 -0.418 0.000 0.896 244 L HN 0.964 nan 8.230 nan 0.000 0.433 245 G N -1.211 107.394 108.800 -0.325 0.000 2.422 245 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.218 245 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.218 245 G C 1.485 176.299 174.900 -0.142 0.000 1.140 245 G CA 0.496 45.476 45.100 -0.200 0.000 0.775 245 G HN 0.610 nan 8.290 nan 0.000 0.545 246 G N 0.151 108.855 108.800 -0.160 0.000 2.402 246 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.216 246 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.216 246 G C 1.546 176.524 174.900 0.130 0.000 1.162 246 G CA 0.860 45.944 45.100 -0.028 0.000 0.777 246 G HN 0.367 nan 8.290 nan 0.000 0.539 247 W N 0.892 122.211 121.300 0.032 0.000 2.338 247 W HA 0.076 4.735 4.660 -0.001 0.000 0.304 247 W C 2.483 178.980 176.519 -0.037 0.000 1.212 247 W CA 0.223 57.595 57.345 0.046 0.000 1.264 247 W CB -1.341 28.155 29.460 0.059 0.000 1.142 247 W HN 0.162 nan 8.180 nan 0.000 0.512 248 L N 0.110 121.395 121.223 0.104 0.000 2.056 248 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 248 L C 2.585 179.422 176.870 -0.056 0.000 1.078 248 L CA 1.581 56.390 54.840 -0.052 0.000 0.749 248 L CB -1.199 40.718 42.059 -0.238 0.000 0.901 248 L HN -0.105 nan 8.230 nan 0.000 0.433 249 A N -0.675 122.122 122.820 -0.039 0.000 2.119 249 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 249 A C 2.136 179.747 177.584 0.045 0.000 1.152 249 A CA 1.596 53.624 52.037 -0.014 0.000 0.708 249 A CB -0.570 18.421 19.000 -0.015 0.000 0.805 249 A HN 0.511 nan 8.150 nan 0.000 0.460 250 T N -6.631 107.973 114.554 0.084 0.000 3.010 250 T HA 0.136 4.485 4.350 -0.001 0.000 0.257 250 T C 0.594 175.358 174.700 0.108 0.000 1.020 250 T CA 0.442 62.606 62.100 0.107 0.000 0.938 250 T CB -0.976 67.981 68.868 0.148 0.000 1.049 250 T HN 0.609 nan 8.240 nan 0.000 0.522 251 C N 3.793 123.154 119.300 0.101 0.000 4.028 251 C HA -0.124 4.336 4.460 -0.001 0.000 0.300 251 C C 1.120 176.183 174.990 0.123 0.000 1.399 251 C CA 0.263 59.337 59.018 0.093 0.000 2.051 251 C CB -3.318 24.470 27.740 0.079 0.000 1.318 251 C HN 0.989 nan 8.230 nan 0.000 0.696 252 S N 0.842 116.653 115.700 0.184 0.000 2.563 252 S HA 0.413 4.883 4.470 -0.001 0.000 0.284 252 S C 0.429 175.168 174.600 0.232 0.000 1.331 252 S CA 0.308 58.640 58.200 0.221 0.000 1.047 252 S CB 1.079 64.456 63.200 0.295 0.000 0.859 252 S HN 1.625 nan 8.310 nan 0.000 0.514 253 S N 1.949 117.741 115.700 0.152 0.000 2.584 253 S HA 0.694 5.164 4.470 -0.001 0.000 0.273 253 S C 0.284 174.842 174.600 -0.071 0.000 1.311 253 S CA -0.336 57.916 58.200 0.087 0.000 1.034 253 S CB 0.700 63.925 63.200 0.041 0.000 0.939 253 S HN 1.295 nan 8.310 nan 0.000 0.513 254 G N 0.218 108.944 108.800 -0.123 0.000 2.533 254 G HA2 0.540 4.500 3.960 -0.001 0.000 0.304 254 G HA3 0.540 4.500 3.960 -0.001 0.000 0.304 254 G C -0.152 174.604 174.900 -0.240 0.000 1.263 254 G CA -0.749 44.123 45.100 -0.380 0.000 0.964 254 G HN 0.866 nan 8.290 nan 0.000 0.479 255 H N -0.106 118.996 119.070 0.054 0.000 2.549 255 H HA 0.153 4.709 4.556 -0.001 0.000 0.279 255 H C 0.692 176.142 175.328 0.204 0.000 1.018 255 H CA 0.343 56.456 56.048 0.107 0.000 1.175 255 H CB 1.325 31.106 29.762 0.032 0.000 1.485 255 H HN 0.492 nan 8.280 nan 0.000 0.543 256 Q N 0.355 120.289 119.800 0.223 0.000 2.157 256 Q HA 0.054 4.393 4.340 -0.001 0.000 0.229 256 Q C 1.617 177.677 176.000 0.100 0.000 0.827 256 Q CA -0.137 55.751 55.803 0.142 0.000 1.055 256 Q CB 0.844 29.735 28.738 0.256 0.000 1.157 256 Q HN 0.271 nan 8.270 nan 0.000 0.482 257 S N -0.309 115.469 115.700 0.130 0.000 2.447 257 S HA -0.163 4.307 4.470 -0.001 0.000 0.233 257 S C 1.238 175.866 174.600 0.048 0.000 1.006 257 S CA 1.024 59.297 58.200 0.122 0.000 0.957 257 S CB 0.040 63.313 63.200 0.122 0.000 0.773 257 S HN 0.279 nan 8.310 nan 0.000 0.507 258 D N 1.799 122.202 120.400 0.006 0.000 2.144 258 D HA -0.049 4.591 4.640 -0.001 0.000 0.199 258 D C 1.881 178.110 176.300 -0.119 0.000 0.984 258 D CA 1.293 55.269 54.000 -0.040 0.000 0.834 258 D CB -0.092 40.678 40.800 -0.049 0.000 0.955 258 D HN 0.535 nan 8.370 nan 0.000 0.465 259 K N -0.366 119.877 120.400 -0.262 0.000 2.078 259 K HA -0.064 4.255 4.320 -0.001 0.000 0.203 259 K C 1.508 177.858 176.600 -0.417 0.000 1.043 259 K CA 0.815 56.806 56.287 -0.492 0.000 0.960 259 K CB -0.083 31.843 32.500 -0.958 0.000 0.761 259 K HN 0.020 nan 8.250 nan 0.000 0.448 260 Y N 0.141 120.434 120.300 -0.010 0.000 2.462 260 Y HA 0.367 4.917 4.550 -0.001 0.000 0.261 260 Y C 0.836 176.783 175.900 0.078 0.000 1.146 260 Y CA 0.015 58.132 58.100 0.028 0.000 1.283 260 Y CB 0.393 38.898 38.460 0.074 0.000 1.090 260 Y HN 0.297 nan 8.280 nan 0.000 0.526 261 G N 0.453 109.351 108.800 0.164 0.000 2.756 261 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.678 261 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.678 261 G C -1.057 173.937 174.900 0.158 0.000 1.349 261 G CA -0.792 44.391 45.100 0.138 0.000 0.847 261 G HN 0.057 nan 8.290 nan 0.000 0.548 262 D N -0.708 119.764 120.400 0.119 0.000 2.354 262 D HA 0.318 4.958 4.640 -0.001 0.000 0.247 262 D C 1.759 178.099 176.300 0.067 0.000 1.138 262 D CA -0.299 53.765 54.000 0.107 0.000 0.958 262 D CB 1.351 42.199 40.800 0.079 0.000 1.144 262 D HN 0.347 nan 8.370 nan 0.000 0.458 263 I N 1.270 121.815 120.570 -0.043 0.000 2.248 263 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 263 I C 2.226 178.342 176.117 -0.002 0.000 1.107 263 I CA 1.569 62.772 61.300 -0.161 0.000 1.373 263 I CB -0.285 37.468 38.000 -0.412 0.000 1.055 263 I HN 0.409 nan 8.210 nan 0.000 0.418 264 E N -0.265 119.965 120.200 0.049 0.000 2.106 264 E HA -0.233 4.116 4.350 -0.001 0.000 0.192 264 E C 1.406 178.074 176.600 0.112 0.000 0.984 264 E CA 1.531 57.989 56.400 0.097 0.000 0.806 264 E CB -0.815 28.987 29.700 0.170 0.000 0.750 264 E HN 0.522 nan 8.360 nan 0.000 0.458 265 D N 1.100 121.569 120.400 0.114 0.000 2.178 265 D HA -0.088 4.552 4.640 -0.001 0.000 0.202 265 D C 2.112 178.477 176.300 0.108 0.000 0.974 265 D CA 1.090 55.158 54.000 0.113 0.000 0.841 265 D CB -0.273 40.593 40.800 0.110 0.000 0.953 265 D HN 0.297 nan 8.370 nan 0.000 0.478 266 M N 0.654 120.316 119.600 0.103 0.000 2.394 266 M HA 0.005 4.485 4.480 -0.001 0.000 0.264 266 M C 0.958 177.319 176.300 0.102 0.000 1.073 266 M CA 0.400 55.766 55.300 0.109 0.000 1.111 266 M CB 0.144 32.809 32.600 0.109 0.000 1.401 266 M HN -0.172 nan 8.290 nan 0.000 0.448 267 A N 0.684 123.566 122.820 0.103 0.000 2.376 267 A HA 0.350 4.670 4.320 -0.001 0.000 0.298 267 A C 1.090 178.744 177.584 0.117 0.000 1.271 267 A CA -0.413 51.707 52.037 0.137 0.000 0.926 267 A CB 0.095 19.206 19.000 0.184 0.000 1.141 267 A HN 0.129 nan 8.150 nan 0.000 0.539 268 V N 2.537 122.513 119.914 0.104 0.000 2.331 268 V HA 0.028 4.147 4.120 -0.001 0.000 0.242 268 V C 1.297 177.407 176.094 0.026 0.000 1.034 268 V CA 2.047 64.389 62.300 0.070 0.000 1.027 268 V CB -0.566 31.305 31.823 0.081 0.000 0.667 268 V HN 1.073 nan 8.190 nan 0.000 0.457 269 S N -0.398 115.322 115.700 0.034 0.000 2.615 269 S HA 0.773 5.243 4.470 -0.001 0.000 0.269 269 S C -1.151 173.458 174.600 0.015 0.000 1.161 269 S CA -0.756 57.379 58.200 -0.109 0.000 0.817 269 S CB 2.405 65.557 63.200 -0.080 0.000 1.131 269 S HN 0.505 nan 8.310 nan 0.000 0.467 270 F N -1.982 117.974 119.950 0.010 0.000 2.773 270 F HA 0.757 5.283 4.527 -0.001 0.000 0.314 270 F C -1.169 174.641 175.800 0.017 0.000 1.160 270 F CA -1.347 56.655 58.000 0.004 0.000 0.920 270 F CB 0.938 39.940 39.000 0.003 0.000 1.323 270 F HN 0.708 nan 8.300 nan 0.000 0.457 271 R N 0.426 121.109 120.500 0.306 0.000 2.407 271 R HA 0.750 5.089 4.340 -0.001 0.000 0.303 271 R C -1.277 175.230 176.300 0.345 0.000 0.981 271 R CA -0.877 55.358 56.100 0.225 0.000 0.905 271 R CB 1.903 32.265 30.300 0.102 0.000 1.099 271 R HN 0.761 nan 8.270 nan 0.000 0.459 272 T N 1.859 116.584 114.554 0.286 0.000 2.840 272 T HA 0.222 4.571 4.350 -0.001 0.000 0.287 272 T C -0.364 174.434 174.700 0.163 0.000 0.991 272 T CA -0.646 61.599 62.100 0.243 0.000 0.964 272 T CB 1.750 70.776 68.868 0.264 0.000 0.954 272 T HN 0.170 nan 8.240 nan 0.000 0.438 273 V N 4.745 124.729 119.914 0.116 0.000 2.385 273 V HA 0.548 4.667 4.120 -0.001 0.000 0.269 273 V C 0.879 176.992 176.094 0.031 0.000 1.043 273 V CA -0.427 61.899 62.300 0.043 0.000 0.906 273 V CB 0.811 32.611 31.823 -0.039 0.000 0.995 273 V HN 1.089 nan 8.190 nan 0.000 0.467 274 T N 2.729 117.290 114.554 0.012 0.000 2.940 274 T HA 0.503 4.853 4.350 -0.001 0.000 0.288 274 T C -2.122 172.546 174.700 -0.052 0.000 1.045 274 T CA -2.226 59.871 62.100 -0.005 0.000 1.018 274 T CB 2.212 71.077 68.868 -0.005 0.000 1.151 274 T HN 0.308 nan 8.240 nan 0.000 0.529 275 P HA -0.004 nan 4.420 nan 0.000 0.223 275 P C 1.022 178.079 177.300 -0.405 0.000 1.144 275 P CA 1.068 64.048 63.100 -0.199 0.000 0.783 275 P CB -0.082 31.554 31.700 -0.107 0.000 0.771 276 T N -5.038 109.372 114.554 -0.241 0.000 3.174 276 T HA 0.582 4.932 4.350 -0.001 0.000 0.269 276 T C 0.607 175.233 174.700 -0.122 0.000 1.017 276 T CA -0.087 61.885 62.100 -0.214 0.000 0.899 276 T CB 0.044 68.820 68.868 -0.154 0.000 1.077 276 T HN 0.219 nan 8.240 nan 0.000 0.552 277 G N 0.447 109.190 108.800 -0.094 0.000 2.357 277 G HA2 0.215 4.175 3.960 -0.001 0.000 0.643 277 G HA3 0.215 4.175 3.960 -0.001 0.000 0.643 277 G C -0.826 174.064 174.900 -0.017 0.000 1.358 277 G CA -0.944 44.126 45.100 -0.050 0.000 0.986 277 G HN 0.221 nan 8.290 nan 0.000 0.620 278 T N 1.273 115.836 114.554 0.015 0.000 2.794 278 T HA 0.508 4.858 4.350 -0.001 0.000 0.296 278 T C 0.766 175.492 174.700 0.042 0.000 0.949 278 T CA -0.029 62.109 62.100 0.064 0.000 1.101 278 T CB 0.562 69.515 68.868 0.141 0.000 0.905 278 T HN 0.489 nan 8.240 nan 0.000 0.516 279 L N 4.424 125.675 121.223 0.046 0.000 2.260 279 L HA 0.337 4.677 4.340 -0.001 0.000 0.289 279 L C 0.624 177.499 176.870 0.008 0.000 1.057 279 L CA -0.622 54.222 54.840 0.007 0.000 0.811 279 L CB 0.542 42.605 42.059 0.005 0.000 1.184 279 L HN 0.481 nan 8.230 nan 0.000 0.429 280 E N 4.811 124.998 120.200 -0.023 0.000 2.231 280 E HA 0.549 4.899 4.350 -0.001 0.000 0.277 280 E C -0.642 175.911 176.600 -0.079 0.000 0.999 280 E CA -0.570 55.808 56.400 -0.036 0.000 0.827 280 E CB 2.716 32.404 29.700 -0.021 0.000 1.101 280 E HN 0.434 nan 8.360 nan 0.000 0.393 281 L N 2.076 123.228 121.223 -0.119 0.000 2.334 281 L HA 0.469 4.809 4.340 -0.001 0.000 0.273 281 L C 0.861 177.688 176.870 -0.071 0.000 1.013 281 L CA -0.932 53.827 54.840 -0.136 0.000 0.816 281 L CB 1.472 43.347 42.059 -0.307 0.000 1.278 281 L HN 0.178 nan 8.230 nan 0.000 0.431 291 I N 1.517 121.942 120.570 -0.242 0.000 2.496 291 I HA 0.200 4.370 4.170 -0.001 0.000 0.285 291 I C 0.219 175.992 176.117 -0.574 0.000 1.080 291 I CA -0.444 60.589 61.300 -0.446 0.000 1.404 291 I CB 1.152 38.791 38.000 -0.603 0.000 1.403 291 I HN 0.344 nan 8.210 nan 0.000 0.539 292 N N 5.501 124.027 118.700 -0.290 0.000 2.439 292 N HA 0.088 4.828 4.740 -0.001 0.000 0.243 292 N C 0.322 175.787 175.510 -0.076 0.000 1.088 292 N CA 0.195 53.174 53.050 -0.119 0.000 0.940 292 N CB 0.170 38.707 38.487 0.083 0.000 1.180 292 N HN 0.432 nan 8.380 nan 0.000 0.505 293 Y N 2.489 122.812 120.300 0.038 0.000 2.439 293 Y HA -0.129 4.421 4.550 -0.001 0.000 0.292 293 Y C 2.101 177.999 175.900 -0.003 0.000 1.130 293 Y CA 0.740 58.857 58.100 0.028 0.000 1.254 293 Y CB 0.135 38.594 38.460 -0.001 0.000 1.000 293 Y HN 0.573 nan 8.280 nan 0.000 0.554 294 K N -0.139 120.267 120.400 0.010 0.000 2.173 294 K HA -0.262 4.058 4.320 -0.001 0.000 0.207 294 K C 1.084 177.703 176.600 0.031 0.000 1.046 294 K CA 2.172 58.407 56.287 -0.087 0.000 0.929 294 K CB -0.641 31.711 32.500 -0.247 0.000 0.720 294 K HN 0.429 nan 8.250 nan 0.000 0.453 295 H N 0.261 119.417 119.070 0.143 0.000 2.555 295 H HA 0.109 4.665 4.556 -0.001 0.000 0.269 295 H C 1.915 177.321 175.328 0.130 0.000 0.988 295 H CA 0.879 56.997 56.048 0.118 0.000 1.178 295 H CB -0.002 29.788 29.762 0.045 0.000 1.373 295 H HN 0.285 nan 8.280 nan 0.000 0.588 296 I N 0.252 120.971 120.570 0.249 0.000 2.439 296 I HA -0.186 3.984 4.170 -0.001 0.000 0.251 296 I C 1.857 178.110 176.117 0.226 0.000 1.139 296 I CA 0.676 62.115 61.300 0.232 0.000 1.438 296 I CB 0.161 38.310 38.000 0.248 0.000 1.085 296 I HN 0.140 nan 8.210 nan 0.000 0.427 297 I N 0.277 121.005 120.570 0.264 0.000 2.731 297 I HA 0.041 4.211 4.170 -0.001 0.000 0.260 297 I C 1.193 177.415 176.117 0.176 0.000 1.138 297 I CA 0.494 61.953 61.300 0.265 0.000 1.461 297 I CB -0.553 37.699 38.000 0.418 0.000 1.128 297 I HN 0.020 nan 8.210 nan 0.000 0.438 298 L N 1.358 122.695 121.223 0.191 0.000 2.525 298 L HA 0.193 4.533 4.340 -0.001 0.000 0.278 298 L C 1.458 178.383 176.870 0.092 0.000 1.218 298 L CA 0.929 55.819 54.840 0.084 0.000 0.878 298 L CB -0.078 42.045 42.059 0.107 0.000 1.127 298 L HN 0.549 nan 8.230 nan 0.000 0.492 299 G N 1.367 110.204 108.800 0.061 0.000 2.184 299 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.264 299 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.264 299 G C 0.962 175.902 174.900 0.066 0.000 0.975 299 G CA 0.665 45.804 45.100 0.065 0.000 0.642 299 G HN 0.770 nan 8.290 nan 0.000 0.536 300 S N -0.017 115.732 115.700 0.082 0.000 2.562 300 S HA 0.268 4.738 4.470 -0.001 0.000 0.221 300 S C 0.896 175.551 174.600 0.092 0.000 0.975 300 S CA 1.146 59.413 58.200 0.112 0.000 0.918 300 S CB -0.165 63.129 63.200 0.156 0.000 0.772 300 S HN 0.934 nan 8.310 nan 0.000 0.531 301 E N 0.430 120.668 120.200 0.064 0.000 2.297 301 E HA -0.198 4.152 4.350 -0.001 0.000 0.228 301 E C 0.784 177.421 176.600 0.061 0.000 1.213 301 E CA 0.229 56.664 56.400 0.058 0.000 0.712 301 E CB -2.026 27.707 29.700 0.054 0.000 1.202 301 E HN 0.964 nan 8.360 nan 0.000 0.376 302 G N -0.471 108.364 108.800 0.058 0.000 2.168 302 G HA2 -0.441 3.518 3.960 -0.001 0.000 0.263 302 G HA3 -0.441 3.518 3.960 -0.001 0.000 0.263 302 G C 0.826 175.772 174.900 0.076 0.000 0.977 302 G CA 1.472 46.606 45.100 0.057 0.000 0.659 302 G HN 0.744 nan 8.290 nan 0.000 0.533 303 T N -1.945 112.674 114.554 0.108 0.000 3.081 303 T HA 0.452 4.802 4.350 -0.001 0.000 0.255 303 T C 1.664 176.440 174.700 0.126 0.000 1.113 303 T CA 1.095 63.279 62.100 0.141 0.000 1.082 303 T CB 0.049 69.055 68.868 0.230 0.000 0.939 303 T HN 0.488 nan 8.240 nan 0.000 0.506 304 L N 0.595 121.885 121.223 0.112 0.000 3.267 304 L HA 0.610 4.949 4.340 -0.001 0.000 0.289 304 L C 0.965 177.877 176.870 0.071 0.000 1.260 304 L CA -0.392 54.498 54.840 0.083 0.000 1.034 304 L CB 0.348 42.466 42.059 0.098 0.000 1.413 304 L HN 0.560 nan 8.230 nan 0.000 0.594 305 G N 0.591 109.431 108.800 0.066 0.000 2.371 305 G HA2 0.021 3.980 3.960 -0.001 0.000 0.663 305 G HA3 0.021 3.980 3.960 -0.001 0.000 0.663 305 G C -1.508 173.427 174.900 0.058 0.000 1.311 305 G CA -1.026 44.109 45.100 0.059 0.000 0.985 305 G HN -0.140 nan 8.290 nan 0.000 0.566 306 I N 1.005 121.609 120.570 0.055 0.000 2.330 306 I HA 0.415 4.584 4.170 -0.001 0.000 0.289 306 I C 0.930 177.083 176.117 0.060 0.000 1.001 306 I CA -1.393 59.933 61.300 0.045 0.000 1.193 306 I CB 0.814 38.838 38.000 0.039 0.000 1.345 306 I HN 0.475 nan 8.210 nan 0.000 0.461 307 I N 5.952 126.536 120.570 0.023 0.000 2.556 307 I HA 0.076 4.246 4.170 -0.001 0.000 0.284 307 I C 1.489 177.634 176.117 0.047 0.000 1.114 307 I CA 0.174 61.485 61.300 0.018 0.000 1.418 307 I CB 0.854 38.751 38.000 -0.171 0.000 1.394 307 I HN 0.730 nan 8.210 nan 0.000 0.552 308 T N 1.382 116.013 114.554 0.129 0.000 3.085 308 T HA 0.258 4.608 4.350 -0.001 0.000 0.241 308 T C 0.511 175.270 174.700 0.099 0.000 0.988 308 T CA -0.122 62.066 62.100 0.147 0.000 1.117 308 T CB 0.228 69.287 68.868 0.319 0.000 0.978 308 T HN 0.555 nan 8.240 nan 0.000 0.454 309 E N 0.440 120.702 120.200 0.104 0.000 2.293 309 E HA 0.720 5.070 4.350 -0.001 0.000 0.270 309 E C -1.533 175.108 176.600 0.068 0.000 0.879 309 E CA -1.073 55.349 56.400 0.036 0.000 0.756 309 E CB 2.432 32.132 29.700 -0.001 0.000 1.208 309 E HN 0.547 nan 8.360 nan 0.000 0.428 310 A N 1.870 124.699 122.820 0.014 0.000 2.414 310 A HA 0.600 4.920 4.320 -0.001 0.000 0.306 310 A C -1.009 176.559 177.584 -0.027 0.000 1.054 310 A CA -0.647 51.437 52.037 0.079 0.000 0.724 310 A CB 1.390 20.430 19.000 0.067 0.000 1.267 310 A HN 0.349 nan 8.150 nan 0.000 0.418 311 V N 4.083 124.005 119.914 0.013 0.000 2.364 311 V HA 0.402 4.522 4.120 -0.001 0.000 0.272 311 V C -0.300 175.805 176.094 0.017 0.000 1.036 311 V CA -0.253 62.013 62.300 -0.056 0.000 0.880 311 V CB 0.896 32.736 31.823 0.028 0.000 0.991 311 V HN 0.850 nan 8.190 nan 0.000 0.460 312 M N 3.841 123.433 119.600 -0.015 0.000 2.508 312 M HA 0.509 4.988 4.480 -0.001 0.000 0.327 312 M C -0.359 175.970 176.300 0.049 0.000 1.160 312 M CA -1.425 53.898 55.300 0.038 0.000 0.980 312 M CB 1.430 34.053 32.600 0.038 0.000 1.693 312 M HN 0.415 nan 8.290 nan 0.000 0.452 313 K N 2.036 122.484 120.400 0.079 0.000 2.339 313 K HA 0.440 4.760 4.320 -0.001 0.000 0.286 313 K C -0.719 175.927 176.600 0.077 0.000 1.050 313 K CA -0.294 56.048 56.287 0.092 0.000 0.956 313 K CB 0.357 32.925 32.500 0.113 0.000 0.990 313 K HN 0.571 nan 8.250 nan 0.000 0.475 314 V N 1.374 121.318 119.914 0.050 0.000 3.103 314 V HA 0.731 4.851 4.120 -0.001 0.000 0.318 314 V C -0.875 175.225 176.094 0.009 0.000 1.114 314 V CA -0.741 61.534 62.300 -0.042 0.000 1.020 314 V CB 1.501 33.280 31.823 -0.073 0.000 1.085 314 V HN 1.018 nan 8.190 nan 0.000 0.446 315 H N 0.158 119.214 119.070 -0.025 0.000 2.865 315 H HA 0.898 5.454 4.556 -0.001 0.000 0.372 315 H C -0.134 175.190 175.328 -0.008 0.000 1.173 315 H CA -0.402 55.644 56.048 -0.004 0.000 1.147 315 H CB 1.259 31.021 29.762 -0.000 0.000 1.805 315 H HN 1.117 nan 8.280 nan 0.000 0.553 316 A N 1.626 124.534 122.820 0.147 0.000 2.498 316 A HA 0.303 4.623 4.320 -0.001 0.000 0.239 316 A C 0.157 177.825 177.584 0.139 0.000 1.068 316 A CA -0.486 51.603 52.037 0.087 0.000 0.766 316 A CB -0.136 18.913 19.000 0.080 0.000 1.003 316 A HN 0.609 nan 8.150 nan 0.000 0.497 317 V N 5.426 125.373 119.914 0.056 0.000 2.584 317 V HA 0.047 4.166 4.120 -0.001 0.000 0.303 317 V C -1.365 174.799 176.094 0.117 0.000 1.035 317 V CA -0.377 61.977 62.300 0.091 0.000 1.172 317 V CB -0.131 31.705 31.823 0.022 0.000 0.896 317 V HN 0.891 nan 8.190 nan 0.000 0.486 318 P HA 0.127 nan 4.420 nan 0.000 0.272 318 P C 0.227 177.566 177.300 0.065 0.000 1.223 318 P CA -0.313 62.853 63.100 0.111 0.000 0.784 318 P CB 0.866 32.637 31.700 0.118 0.000 0.923 319 Q N 0.479 120.304 119.800 0.041 0.000 2.096 319 Q HA 0.076 4.416 4.340 -0.001 0.000 0.197 319 Q C 0.757 176.763 176.000 0.010 0.000 0.964 319 Q CA 1.181 56.999 55.803 0.024 0.000 0.838 319 Q CB -0.279 28.469 28.738 0.016 0.000 0.906 319 Q HN 0.631 nan 8.270 nan 0.000 0.444 320 A N 0.426 123.244 122.820 -0.003 0.000 2.331 320 A HA 0.610 4.930 4.320 -0.001 0.000 0.320 320 A C -0.911 176.640 177.584 -0.055 0.000 1.138 320 A CA -0.510 51.510 52.037 -0.029 0.000 0.790 320 A CB 1.636 20.615 19.000 -0.034 0.000 1.206 320 A HN -0.029 nan 8.150 nan 0.000 0.470 321 V N 2.616 122.467 119.914 -0.106 0.000 2.482 321 V HA 0.489 4.608 4.120 -0.001 0.000 0.295 321 V C -0.623 175.246 176.094 -0.374 0.000 1.026 321 V CA -0.418 61.739 62.300 -0.240 0.000 0.856 321 V CB 1.386 33.098 31.823 -0.186 0.000 1.001 321 V HN 0.975 nan 8.190 nan 0.000 0.424 322 E N 4.130 124.044 120.200 -0.478 0.000 2.263 322 E HA 0.597 4.947 4.350 -0.001 0.000 0.268 322 E C -1.910 174.375 176.600 -0.525 0.000 0.884 322 E CA -0.654 55.502 56.400 -0.407 0.000 0.766 322 E CB 2.715 32.400 29.700 -0.025 0.000 1.196 322 E HN 0.664 nan 8.360 nan 0.000 0.416 323 Y N 1.088 121.218 120.300 -0.284 0.000 2.446 323 Y HA 0.538 5.088 4.550 -0.001 0.000 0.345 323 Y C -0.681 174.983 175.900 -0.394 0.000 0.984 323 Y CA -0.946 57.038 58.100 -0.194 0.000 1.058 323 Y CB 1.476 39.853 38.460 -0.138 0.000 1.220 323 Y HN 0.451 nan 8.280 nan 0.000 0.455 324 Y N -0.198 120.296 120.300 0.323 0.000 2.581 324 Y HA 0.726 5.275 4.550 -0.001 0.000 0.345 324 Y C 0.274 176.265 175.900 0.151 0.000 1.036 324 Y CA -1.536 56.690 58.100 0.209 0.000 1.042 324 Y CB 2.389 41.063 38.460 0.356 0.000 1.289 324 Y HN 0.716 nan 8.280 nan 0.000 0.471 325 G N 1.027 109.875 108.800 0.080 0.000 2.416 325 G HA2 0.705 4.665 3.960 -0.001 0.000 0.329 325 G HA3 0.705 4.665 3.960 -0.001 0.000 0.329 325 G C -1.870 172.816 174.900 -0.356 0.000 1.173 325 G CA -0.477 44.657 45.100 0.055 0.000 0.929 325 G HN 0.357 nan 8.290 nan 0.000 0.475 326 F N -0.251 119.707 119.950 0.013 0.000 2.599 326 F HA 0.579 5.106 4.527 -0.001 0.000 0.311 326 F C -0.059 175.622 175.800 -0.198 0.000 1.076 326 F CA -0.778 57.097 58.000 -0.208 0.000 0.937 326 F CB 2.420 41.216 39.000 -0.340 0.000 1.282 326 F HN 0.169 nan 8.300 nan 0.000 0.460 327 L N 2.027 123.133 121.223 -0.195 0.000 2.334 327 L HA 0.628 4.968 4.340 -0.001 0.000 0.273 327 L C -1.325 175.268 176.870 -0.463 0.000 1.013 327 L CA -0.726 53.989 54.840 -0.209 0.000 0.816 327 L CB 1.790 43.631 42.059 -0.363 0.000 1.278 327 L HN 0.442 nan 8.230 nan 0.000 0.431 328 F N 0.840 120.811 119.950 0.035 0.000 2.551 328 F HA 0.427 4.954 4.527 -0.000 0.000 0.316 328 F C -1.729 174.066 175.800 -0.008 0.000 1.089 328 F CA -1.637 56.359 58.000 -0.006 0.000 0.915 328 F CB 1.492 40.514 39.000 0.037 0.000 1.186 328 F HN 0.254 nan 8.300 nan 0.000 0.456 329 P HA -0.040 nan 4.420 nan 0.000 0.218 329 P C -0.017 177.343 177.300 0.099 0.000 1.149 329 P CA 1.412 64.405 63.100 -0.177 0.000 0.817 329 P CB 0.129 31.575 31.700 -0.424 0.000 0.785 330 T N -6.912 107.757 114.554 0.191 0.000 2.843 330 T HA 0.322 4.672 4.350 -0.001 0.000 0.302 330 T C 0.320 175.170 174.700 0.250 0.000 1.232 330 T CA -0.734 61.537 62.100 0.286 0.000 1.009 330 T CB 0.416 69.493 68.868 0.347 0.000 1.254 330 T HN -0.202 nan 8.240 nan 0.000 0.504 331 F N 1.844 121.776 119.950 -0.030 0.000 2.120 331 F HA -0.007 4.520 4.527 -0.001 0.000 0.300 331 F C 2.660 178.306 175.800 -0.256 0.000 1.095 331 F CA 2.391 60.219 58.000 -0.286 0.000 1.249 331 F CB -0.868 37.666 39.000 -0.776 0.000 0.995 331 F HN 0.838 nan 8.300 nan 0.000 0.480 332 A N -0.752 122.023 122.820 -0.075 0.000 1.948 332 A HA -0.282 4.038 4.320 -0.001 0.000 0.220 332 A C 1.875 179.292 177.584 -0.278 0.000 1.177 332 A CA 2.234 54.162 52.037 -0.182 0.000 0.636 332 A CB -1.294 17.657 19.000 -0.083 0.000 0.815 332 A HN 0.619 nan 8.150 nan 0.000 0.449 333 H N -0.819 118.135 119.070 -0.193 0.000 2.428 333 H HA 0.204 4.759 4.556 -0.001 0.000 0.296 333 H C 2.371 177.373 175.328 -0.544 0.000 1.062 333 H CA 1.250 57.184 56.048 -0.191 0.000 1.350 333 H CB -0.072 29.718 29.762 0.046 0.000 1.403 333 H HN 0.534 nan 8.280 nan 0.000 0.533 334 A N 0.174 122.547 122.820 -0.745 0.000 1.897 334 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 334 A C 2.486 179.563 177.584 -0.845 0.000 1.181 334 A CA 1.300 52.501 52.037 -1.392 0.000 0.620 334 A CB -0.706 17.669 19.000 -1.041 0.000 0.821 334 A HN 0.234 nan 8.150 nan 0.000 0.443 335 V N -0.004 119.485 119.914 -0.709 0.000 2.343 335 V HA -0.224 3.896 4.120 -0.001 0.000 0.247 335 V C 2.804 178.642 176.094 -0.427 0.000 1.051 335 V CA 2.292 64.269 62.300 -0.538 0.000 1.036 335 V CB -0.781 30.704 31.823 -0.562 0.000 0.654 335 V HN 0.553 nan 8.190 nan 0.000 0.451 336 S N 0.133 115.593 115.700 -0.400 0.000 2.353 336 S HA -0.239 4.231 4.470 -0.001 0.000 0.222 336 S C 2.253 176.686 174.600 -0.279 0.000 1.035 336 S CA 1.596 59.602 58.200 -0.323 0.000 1.025 336 S CB -0.582 62.464 63.200 -0.257 0.000 0.902 336 S HN 0.671 nan 8.310 nan 0.000 0.440 337 A N 1.300 123.956 122.820 -0.274 0.000 1.892 337 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 337 A C 2.091 179.565 177.584 -0.183 0.000 1.188 337 A CA 1.447 53.373 52.037 -0.184 0.000 0.631 337 A CB -0.843 18.077 19.000 -0.135 0.000 0.822 337 A HN 0.381 nan 8.150 nan 0.000 0.447 338 L N -0.240 120.841 121.223 -0.237 0.000 2.013 338 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 338 L C 2.711 179.495 176.870 -0.143 0.000 1.073 338 L CA 2.298 57.042 54.840 -0.161 0.000 0.753 338 L CB -0.966 41.002 42.059 -0.152 0.000 0.890 338 L HN 0.515 nan 8.230 nan 0.000 0.432 339 Q N -1.324 118.298 119.800 -0.296 0.000 2.002 339 Q HA -0.273 4.067 4.340 -0.001 0.000 0.204 339 Q C 2.209 178.084 176.000 -0.209 0.000 0.988 339 Q CA 2.048 57.609 55.803 -0.403 0.000 0.843 339 Q CB -0.227 28.106 28.738 -0.674 0.000 0.908 339 Q HN 0.598 nan 8.270 nan 0.000 0.420 340 Q N 0.178 119.865 119.800 -0.188 0.000 2.152 340 Q HA -0.191 4.149 4.340 -0.001 0.000 0.206 340 Q C 2.103 178.052 176.000 -0.085 0.000 0.985 340 Q CA 1.270 57.001 55.803 -0.121 0.000 0.863 340 Q CB -0.233 28.440 28.738 -0.108 0.000 0.904 340 Q HN 0.426 nan 8.270 nan 0.000 0.422 341 I N 0.218 120.739 120.570 -0.081 0.000 2.163 341 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 341 I C 2.569 178.664 176.117 -0.037 0.000 1.085 341 I CA 1.025 62.292 61.300 -0.054 0.000 1.347 341 I CB -0.293 37.679 38.000 -0.047 0.000 1.044 341 I HN 0.164 nan 8.210 nan 0.000 0.408 342 R N 0.663 121.145 120.500 -0.029 0.000 2.094 342 R HA -0.154 4.186 4.340 -0.001 0.000 0.239 342 R C 2.466 178.766 176.300 -0.000 0.000 1.137 342 R CA 2.007 58.108 56.100 0.002 0.000 0.943 342 R CB -0.785 29.539 30.300 0.041 0.000 0.850 342 R HN 0.347 nan 8.270 nan 0.000 0.433 343 S N 0.649 116.338 115.700 -0.019 0.000 2.399 343 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 343 S C 1.935 176.525 174.600 -0.016 0.000 1.022 343 S CA 1.490 59.680 58.200 -0.016 0.000 0.983 343 S CB -0.224 62.955 63.200 -0.036 0.000 0.803 343 S HN 0.527 nan 8.310 nan 0.000 0.480 344 S N 1.001 116.684 115.700 -0.028 0.000 2.474 344 S HA -0.073 4.397 4.470 -0.001 0.000 0.235 344 S C 0.652 175.241 174.600 -0.018 0.000 0.997 344 S CA 1.026 59.208 58.200 -0.031 0.000 0.949 344 S CB -0.500 62.666 63.200 -0.056 0.000 0.766 344 S HN 0.561 nan 8.310 nan 0.000 0.517 345 E N -1.161 119.035 120.200 -0.007 0.000 3.673 345 E HA -0.144 4.206 4.350 -0.001 0.000 0.309 345 E C -1.009 175.595 176.600 0.008 0.000 0.819 345 E CA 0.782 57.188 56.400 0.010 0.000 1.111 345 E CB -1.938 27.773 29.700 0.019 0.000 1.561 345 E HN 0.514 nan 8.360 nan 0.000 0.450 346 V N 2.744 122.638 119.914 -0.033 0.000 2.293 346 V HA 0.370 4.490 4.120 -0.001 0.000 0.275 346 V C 0.438 176.539 176.094 0.012 0.000 1.021 346 V CA -0.492 61.744 62.300 -0.106 0.000 0.815 346 V CB 0.552 32.213 31.823 -0.271 0.000 1.025 346 V HN 0.209 nan 8.190 nan 0.000 0.448 347 I N 3.146 123.815 120.570 0.165 0.000 2.493 347 I HA 0.739 4.908 4.170 -0.001 0.000 0.298 347 I C -2.491 173.724 176.117 0.164 0.000 0.998 347 I CA -2.564 58.810 61.300 0.124 0.000 1.137 347 I CB 2.366 40.393 38.000 0.044 0.000 1.310 347 I HN 0.289 nan 8.210 nan 0.000 0.445 348 P HA 0.214 nan 4.420 nan 0.000 0.272 348 P C 0.506 177.612 177.300 -0.322 0.000 1.230 348 P CA -0.234 62.668 63.100 -0.329 0.000 0.788 348 P CB 0.735 32.066 31.700 -0.616 0.000 0.949 349 T N -0.221 114.078 114.554 -0.425 0.000 2.777 349 T HA -0.012 4.338 4.350 -0.001 0.000 0.266 349 T C 0.792 175.264 174.700 -0.381 0.000 1.040 349 T CA 1.621 63.495 62.100 -0.378 0.000 1.141 349 T CB -0.297 68.349 68.868 -0.370 0.000 0.868 349 T HN 0.370 nan 8.240 nan 0.000 0.444 350 M N 0.248 119.519 119.600 -0.549 0.000 2.393 350 M HA 0.608 5.087 4.480 -0.001 0.000 0.299 350 M C -1.120 174.848 176.300 -0.554 0.000 1.103 350 M CA -0.404 54.458 55.300 -0.730 0.000 0.910 350 M CB 3.198 34.734 32.600 -1.772 0.000 1.659 350 M HN 0.051 nan 8.290 nan 0.000 0.445 351 I N 1.536 121.945 120.570 -0.267 0.000 2.722 351 I HA 0.709 4.879 4.170 -0.001 0.000 0.295 351 I C -1.561 174.574 176.117 0.031 0.000 1.161 351 I CA -0.487 60.746 61.300 -0.112 0.000 1.032 351 I CB 1.837 39.770 38.000 -0.112 0.000 1.244 351 I HN 0.853 nan 8.210 nan 0.000 0.421 352 R N 5.609 126.137 120.500 0.046 0.000 2.673 352 R HA 0.785 5.124 4.340 -0.001 0.000 0.281 352 R C -2.145 174.017 176.300 -0.230 0.000 0.991 352 R CA -0.559 55.443 56.100 -0.163 0.000 0.896 352 R CB 2.302 32.393 30.300 -0.348 0.000 1.201 352 R HN 0.446 nan 8.270 nan 0.000 0.457 353 V N 4.433 124.179 119.914 -0.280 0.000 2.448 353 V HA 0.436 4.556 4.120 -0.001 0.000 0.295 353 V C -1.287 174.704 176.094 -0.172 0.000 1.025 353 V CA -0.660 61.553 62.300 -0.144 0.000 0.859 353 V CB 1.577 33.334 31.823 -0.109 0.000 0.988 353 V HN 0.653 nan 8.190 nan 0.000 0.431 354 Y N 3.304 123.719 120.300 0.191 0.000 2.331 354 Y HA 0.405 4.954 4.550 -0.001 0.000 0.338 354 Y C 0.583 176.642 175.900 0.266 0.000 0.976 354 Y CA -1.273 56.957 58.100 0.217 0.000 1.137 354 Y CB 0.991 39.556 38.460 0.175 0.000 1.172 354 Y HN 0.819 nan 8.280 nan 0.000 0.478 355 D N 4.119 124.759 120.400 0.400 0.000 2.352 355 D HA -0.000 4.640 4.640 -0.001 0.000 0.238 355 D C -2.060 174.465 176.300 0.374 0.000 1.286 355 D CA -1.785 52.411 54.000 0.326 0.000 0.923 355 D CB 0.678 41.591 40.800 0.188 0.000 1.146 355 D HN 0.221 nan 8.370 nan 0.000 0.471 356 P HA -0.115 nan 4.420 nan 0.000 0.216 356 P C 0.949 178.492 177.300 0.406 0.000 1.150 356 P CA 1.474 64.804 63.100 0.383 0.000 0.837 356 P CB 0.165 32.065 31.700 0.333 0.000 0.786 357 E N -0.576 119.833 120.200 0.349 0.000 2.106 357 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 357 E C 1.991 178.928 176.600 0.561 0.000 0.984 357 E CA 1.002 57.664 56.400 0.438 0.000 0.806 357 E CB -0.670 29.063 29.700 0.054 0.000 0.750 357 E HN 0.377 nan 8.360 nan 0.000 0.458 358 E N -0.478 119.963 120.200 0.402 0.000 2.216 358 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 358 E C 1.415 178.156 176.600 0.234 0.000 0.988 358 E CA 1.185 57.812 56.400 0.378 0.000 0.834 358 E CB 0.166 30.116 29.700 0.416 0.000 0.772 358 E HN 0.172 nan 8.360 nan 0.000 0.479 359 T N 0.879 115.612 114.554 0.299 0.000 2.674 359 T HA -0.208 4.141 4.350 -0.001 0.000 0.265 359 T C 1.767 176.617 174.700 0.250 0.000 1.039 359 T CA 1.541 63.792 62.100 0.251 0.000 1.150 359 T CB -0.269 68.838 68.868 0.398 0.000 0.864 359 T HN 0.253 nan 8.240 nan 0.000 0.427 360 Q N 0.316 120.343 119.800 0.377 0.000 2.112 360 Q HA -0.104 4.236 4.340 -0.001 0.000 0.206 360 Q C 2.365 178.392 176.000 0.045 0.000 0.987 360 Q CA 1.262 57.297 55.803 0.386 0.000 0.858 360 Q CB -0.442 28.692 28.738 0.660 0.000 0.905 360 Q HN 0.323 nan 8.270 nan 0.000 0.420 361 L N 0.449 121.622 121.223 -0.084 0.000 2.012 361 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 361 L C 2.129 178.870 176.870 -0.215 0.000 1.073 361 L CA 1.907 56.430 54.840 -0.529 0.000 0.748 361 L CB -0.677 41.242 42.059 -0.233 0.000 0.891 361 L HN 0.022 nan 8.230 nan 0.000 0.431 362 S N -0.706 114.927 115.700 -0.111 0.000 2.374 362 S HA -0.186 4.284 4.470 -0.001 0.000 0.227 362 S C 1.700 176.206 174.600 -0.157 0.000 1.037 362 S CA 1.980 60.111 58.200 -0.115 0.000 1.024 362 S CB -0.564 62.424 63.200 -0.353 0.000 0.861 362 S HN 0.492 nan 8.310 nan 0.000 0.456 363 F N 0.846 120.702 119.950 -0.158 0.000 2.473 363 F HA 0.277 4.804 4.527 -0.001 0.000 0.294 363 F C 2.288 178.009 175.800 -0.131 0.000 1.103 363 F CA 0.461 58.314 58.000 -0.245 0.000 1.442 363 F CB -0.381 38.310 39.000 -0.514 0.000 1.097 363 F HN 0.157 nan 8.300 nan 0.000 0.547 364 A N -0.094 122.733 122.820 0.012 0.000 2.169 364 A HA -0.071 4.249 4.320 -0.001 0.000 0.212 364 A C 1.854 179.435 177.584 -0.005 0.000 1.153 364 A CA 0.706 52.721 52.037 -0.036 0.000 0.756 364 A CB -0.916 17.969 19.000 -0.190 0.000 0.813 364 A HN 0.695 nan 8.150 nan 0.000 0.471 365 W N 0.288 121.455 121.300 -0.222 0.000 2.644 365 W HA 0.268 4.928 4.660 -0.000 0.000 0.279 365 W C -0.341 176.083 176.519 -0.158 0.000 1.164 365 W CA 0.255 57.469 57.345 -0.219 0.000 1.457 365 W CB -0.162 29.135 29.460 -0.272 0.000 1.087 365 W HN -0.095 nan 8.180 nan 0.000 0.573 366 K N 2.460 122.463 120.400 -0.663 0.000 2.110 366 K HA 0.310 4.629 4.320 -0.001 0.000 0.263 366 K C -2.069 174.353 176.600 -0.297 0.000 0.975 366 K CA -1.914 53.977 56.287 -0.661 0.000 0.895 366 K CB 1.082 33.104 32.500 -0.797 0.000 1.060 366 K HN -0.107 nan 8.250 nan 0.000 0.448 367 P HA -0.030 nan 4.420 nan 0.000 0.271 367 P C 0.438 177.681 177.300 -0.094 0.000 1.238 367 P CA 0.028 63.050 63.100 -0.131 0.000 0.794 367 P CB 0.473 32.097 31.700 -0.126 0.000 0.959 368 S N -1.429 114.249 115.700 -0.037 0.000 2.524 368 S HA 0.135 4.604 4.470 -0.001 0.000 0.216 368 S C 0.593 175.183 174.600 -0.017 0.000 0.987 368 S CA 0.295 58.498 58.200 0.006 0.000 0.909 368 S CB -0.113 63.111 63.200 0.040 0.000 0.781 368 S HN 0.376 nan 8.310 nan 0.000 0.521 369 K N -0.174 120.200 120.400 -0.043 0.000 2.433 369 K HA 0.670 4.989 4.320 -0.001 0.000 0.252 369 K C 0.170 176.729 176.600 -0.069 0.000 1.015 369 K CA -0.235 56.024 56.287 -0.047 0.000 0.860 369 K CB 1.861 34.342 32.500 -0.032 0.000 1.359 369 K HN 0.256 nan 8.250 nan 0.000 0.452 370 G N 0.091 108.853 108.800 -0.064 0.000 2.587 370 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.212 370 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.212 370 G C 0.516 175.365 174.900 -0.084 0.000 1.327 370 G CA -0.122 44.937 45.100 -0.069 0.000 0.898 370 G HN 0.657 nan 8.290 nan 0.000 0.551 371 A N -1.418 121.350 122.820 -0.086 0.000 1.969 371 A HA 0.323 4.643 4.320 -0.001 0.000 0.218 371 A C 2.389 179.900 177.584 -0.121 0.000 1.169 371 A CA 3.190 55.172 52.037 -0.091 0.000 0.635 371 A CB -0.235 18.716 19.000 -0.082 0.000 0.810 371 A HN 1.558 nan 8.150 nan 0.000 0.445 372 V N 0.691 120.513 119.914 -0.153 0.000 3.643 372 V HA 0.026 4.146 4.120 -0.001 0.000 0.280 372 V C 1.066 176.999 176.094 -0.268 0.000 1.351 372 V CA 0.661 62.836 62.300 -0.209 0.000 1.073 372 V CB -0.261 31.427 31.823 -0.225 0.000 0.863 372 V HN 0.668 nan 8.190 nan 0.000 0.436 373 S N 0.073 115.641 115.700 -0.221 0.000 2.559 373 S HA 0.072 4.542 4.470 -0.001 0.000 0.282 373 S C 0.687 175.125 174.600 -0.270 0.000 1.336 373 S CA 0.221 58.284 58.200 -0.229 0.000 1.037 373 S CB 1.155 64.270 63.200 -0.142 0.000 0.853 373 S HN 0.543 nan 8.310 nan 0.000 0.523 374 E N 0.488 120.493 120.200 -0.325 0.000 2.290 374 E HA 0.238 4.588 4.350 -0.001 0.000 0.195 374 E C -0.306 176.034 176.600 -0.433 0.000 0.938 374 E CA -0.053 56.081 56.400 -0.443 0.000 1.018 374 E CB 0.025 29.334 29.700 -0.652 0.000 1.042 374 E HN 0.675 nan 8.360 nan 0.000 0.483 375 F N 2.289 122.104 119.950 -0.225 0.000 2.406 375 F HA 0.090 4.616 4.527 -0.001 0.000 0.327 375 F C 1.275 177.013 175.800 -0.103 0.000 1.153 375 F CA -0.576 57.329 58.000 -0.159 0.000 1.218 375 F CB 0.554 39.460 39.000 -0.157 0.000 1.215 375 F HN -0.071 nan 8.300 nan 0.000 0.570 376 T N -2.223 112.418 114.554 0.145 0.000 2.828 376 T HA 0.148 4.498 4.350 -0.001 0.000 0.290 376 T C 1.118 175.874 174.700 0.093 0.000 1.019 376 T CA -0.240 61.904 62.100 0.073 0.000 1.031 376 T CB 1.180 70.072 68.868 0.040 0.000 1.001 376 T HN 0.660 nan 8.240 nan 0.000 0.531 377 S N 0.191 115.921 115.700 0.050 0.000 2.481 377 S HA 0.029 4.499 4.470 -0.001 0.000 0.231 377 S C 2.234 176.861 174.600 0.045 0.000 0.996 377 S CA 0.301 58.529 58.200 0.046 0.000 0.942 377 S CB -0.924 62.289 63.200 0.022 0.000 0.768 377 S HN 0.962 nan 8.310 nan 0.000 0.520 378 A N 2.489 125.332 122.820 0.038 0.000 1.873 378 A HA 0.092 4.411 4.320 -0.001 0.000 0.215 378 A C 2.328 179.934 177.584 0.036 0.000 1.186 378 A CA 1.573 53.626 52.037 0.026 0.000 0.616 378 A CB -0.735 18.271 19.000 0.009 0.000 0.823 378 A HN 0.581 nan 8.150 nan 0.000 0.442 379 M N -0.541 119.096 119.600 0.061 0.000 2.175 379 M HA -0.106 4.374 4.480 -0.001 0.000 0.264 379 M C 2.010 178.364 176.300 0.090 0.000 1.063 379 M CA 1.238 56.582 55.300 0.073 0.000 1.119 379 M CB -0.447 32.231 32.600 0.130 0.000 1.377 379 M HN 0.230 nan 8.290 nan 0.000 0.415 380 V N 0.562 120.537 119.914 0.103 0.000 2.427 380 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 380 V C 2.334 178.449 176.094 0.036 0.000 1.051 380 V CA 1.452 63.799 62.300 0.078 0.000 1.048 380 V CB -0.772 31.124 31.823 0.122 0.000 0.666 380 V HN 0.397 nan 8.190 nan 0.000 0.456 381 K N 0.431 120.862 120.400 0.051 0.000 2.217 381 K HA -0.078 4.242 4.320 -0.001 0.000 0.202 381 K C 2.069 178.723 176.600 0.090 0.000 1.051 381 K CA 0.906 57.224 56.287 0.052 0.000 0.952 381 K CB -0.176 32.347 32.500 0.038 0.000 0.736 381 K HN 0.434 nan 8.250 nan 0.000 0.453 382 K N -0.081 120.385 120.400 0.109 0.000 2.155 382 K HA -0.116 4.204 4.320 -0.001 0.000 0.203 382 K C 2.089 178.864 176.600 0.291 0.000 1.052 382 K CA 0.871 57.291 56.287 0.220 0.000 0.948 382 K CB -0.141 32.458 32.500 0.165 0.000 0.728 382 K HN 0.124 nan 8.250 nan 0.000 0.448 383 Y N 1.387 121.651 120.300 -0.059 0.000 2.220 383 Y HA -0.131 4.419 4.550 -0.001 0.000 0.291 383 Y C 1.714 177.547 175.900 -0.112 0.000 1.129 383 Y CA 1.159 59.129 58.100 -0.216 0.000 1.161 383 Y CB -0.023 37.870 38.460 -0.945 0.000 0.997 383 Y HN -0.097 nan 8.280 nan 0.000 0.522 384 L N -0.088 121.060 121.223 -0.124 0.000 2.079 384 L HA -0.281 4.059 4.340 -0.001 0.000 0.210 384 L C 2.750 179.560 176.870 -0.101 0.000 1.081 384 L CA 1.779 56.526 54.840 -0.156 0.000 0.752 384 L CB -0.944 41.092 42.059 -0.040 0.000 0.896 384 L HN 0.476 nan 8.230 nan 0.000 0.433 385 H N -0.554 118.476 119.070 -0.068 0.000 2.326 385 H HA -0.262 4.294 4.556 -0.000 0.000 0.301 385 H C 2.258 177.547 175.328 -0.065 0.000 1.081 385 H CA 1.989 58.011 56.048 -0.045 0.000 1.334 385 H CB -0.327 29.446 29.762 0.018 0.000 1.385 385 H HN 0.361 nan 8.280 nan 0.000 0.504 386 Y N 2.060 122.220 120.300 -0.233 0.000 2.165 386 Y HA -0.209 4.341 4.550 -0.001 0.000 0.286 386 Y C 2.785 178.540 175.900 -0.242 0.000 1.155 386 Y CA 2.170 60.074 58.100 -0.327 0.000 1.164 386 Y CB -0.249 38.074 38.460 -0.228 0.000 0.978 386 Y HN 0.323 nan 8.280 nan 0.000 0.513 387 I N -1.668 118.738 120.570 -0.273 0.000 3.176 387 I HA -0.060 4.110 4.170 -0.001 0.000 0.275 387 I C 1.908 177.890 176.117 -0.224 0.000 1.298 387 I CA 0.847 61.991 61.300 -0.260 0.000 1.445 387 I CB -0.356 37.449 38.000 -0.324 0.000 1.075 387 I HN 0.051 nan 8.210 nan 0.000 0.482 388 R N 0.905 121.231 120.500 -0.290 0.000 2.148 388 R HA 0.010 4.350 4.340 -0.001 0.000 0.223 388 R C 2.080 178.178 176.300 -0.336 0.000 1.088 388 R CA 1.428 57.364 56.100 -0.274 0.000 0.985 388 R CB -0.097 30.031 30.300 -0.287 0.000 0.880 388 R HN 0.426 nan 8.270 nan 0.000 0.451 389 S N -0.747 114.675 115.700 -0.463 0.000 2.475 389 S HA 0.183 4.653 4.470 -0.001 0.000 0.224 389 S C -0.105 173.948 174.600 -0.911 0.000 1.042 389 S CA 0.353 58.154 58.200 -0.666 0.000 0.935 389 S CB 0.366 63.121 63.200 -0.741 0.000 0.801 389 S HN 0.003 nan 8.310 nan 0.000 0.509 390 F N 1.611 121.265 119.950 -0.494 0.000 2.551 390 F HA 0.408 4.934 4.527 -0.001 0.000 0.316 390 F C -0.268 175.406 175.800 -0.209 0.000 1.089 390 F CA -1.765 56.005 58.000 -0.382 0.000 0.915 390 F CB 0.864 39.522 39.000 -0.570 0.000 1.186 390 F HN -0.184 nan 8.300 nan 0.000 0.456 391 D N 2.247 122.681 120.400 0.057 0.000 2.401 391 D HA -0.034 4.605 4.640 -0.001 0.000 0.254 391 D C 1.048 177.382 176.300 0.057 0.000 1.192 391 D CA 0.019 54.032 54.000 0.022 0.000 0.885 391 D CB 0.345 41.122 40.800 -0.037 0.000 1.147 391 D HN 0.431 nan 8.370 nan 0.000 0.478 392 F N 3.129 123.101 119.950 0.037 0.000 2.236 392 F HA -0.115 4.411 4.527 -0.000 0.000 0.302 392 F C 1.644 177.556 175.800 0.186 0.000 1.073 392 F CA 0.836 58.893 58.000 0.094 0.000 1.336 392 F CB -0.356 38.681 39.000 0.061 0.000 1.040 392 F HN 0.250 nan 8.300 nan 0.000 0.507 393 K N 0.259 120.228 120.400 -0.718 0.000 2.515 393 K HA -0.057 4.262 4.320 -0.001 0.000 0.196 393 K C 0.895 177.470 176.600 -0.042 0.000 1.038 393 K CA 0.867 56.870 56.287 -0.472 0.000 0.967 393 K CB -0.192 31.981 32.500 -0.546 0.000 0.780 393 K HN 0.391 nan 8.250 nan 0.000 0.483 394 N N -0.571 118.166 118.700 0.062 0.000 2.317 394 N HA 0.016 4.756 4.740 -0.001 0.000 0.199 394 N C -0.259 175.409 175.510 0.263 0.000 1.145 394 N CA 0.066 53.227 53.050 0.185 0.000 0.882 394 N CB 0.754 39.343 38.487 0.169 0.000 1.113 394 N HN -0.172 nan 8.380 nan 0.000 0.486 395 V N 2.095 122.183 119.914 0.291 0.000 2.585 395 V HA 0.024 4.144 4.120 -0.001 0.000 0.296 395 V C 0.400 176.749 176.094 0.425 0.000 1.035 395 V CA -0.085 62.441 62.300 0.376 0.000 1.084 395 V CB 0.455 32.545 31.823 0.446 0.000 0.953 395 V HN 0.195 nan 8.190 nan 0.000 0.483 396 C N 6.046 125.604 119.300 0.430 0.000 2.455 396 C HA 0.635 5.094 4.460 -0.001 0.000 0.320 396 C C -0.050 175.233 174.990 0.489 0.000 1.226 396 C CA -0.771 58.518 59.018 0.451 0.000 1.569 396 C CB 1.094 29.077 27.740 0.404 0.000 2.200 396 C HN 0.807 nan 8.230 nan 0.000 0.491 397 L N 2.870 124.387 121.223 0.489 0.000 2.307 397 L HA 0.709 5.049 4.340 -0.001 0.000 0.282 397 L C 0.078 177.273 176.870 0.542 0.000 1.051 397 L CA 0.745 55.872 54.840 0.478 0.000 0.804 397 L CB 1.433 43.736 42.059 0.407 0.000 1.197 397 L HN 0.695 nan 8.230 nan 0.000 0.431 398 S N 3.966 119.969 115.700 0.505 0.000 2.502 398 S HA 0.768 5.238 4.470 -0.001 0.000 0.304 398 S C -0.964 173.899 174.600 0.438 0.000 1.097 398 S CA -0.519 57.959 58.200 0.464 0.000 1.045 398 S CB 0.900 64.424 63.200 0.540 0.000 1.019 398 S HN 0.460 nan 8.310 nan 0.000 0.481 399 I N 5.420 126.225 120.570 0.391 0.000 2.354 399 I HA 0.607 4.777 4.170 -0.001 0.000 0.292 399 I C -0.339 175.921 176.117 0.238 0.000 0.989 399 I CA -0.608 60.902 61.300 0.350 0.000 1.188 399 I CB 0.737 38.965 38.000 0.380 0.000 1.342 399 I HN 0.701 nan 8.210 nan 0.000 0.457 400 I N 4.124 124.832 120.570 0.229 0.000 2.569 400 I HA 0.752 4.922 4.170 -0.001 0.000 0.290 400 I C 0.417 176.510 176.117 -0.040 0.000 1.088 400 I CA -0.353 60.967 61.300 0.032 0.000 1.047 400 I CB 2.240 40.336 38.000 0.159 0.000 1.237 400 I HN 0.728 nan 8.210 nan 0.000 0.421 401 G N 4.724 113.276 108.800 -0.414 0.000 2.574 401 G HA2 0.841 4.801 3.960 -0.001 0.000 0.299 401 G HA3 0.841 4.801 3.960 -0.001 0.000 0.299 401 G C -1.645 172.816 174.900 -0.731 0.000 1.298 401 G CA -0.408 44.476 45.100 -0.359 0.000 0.952 401 G HN 0.315 nan 8.290 nan 0.000 0.477 402 F N -0.280 119.533 119.950 -0.229 0.000 2.574 402 F HA 0.524 5.051 4.527 -0.000 0.000 0.313 402 F C 0.080 175.725 175.800 -0.259 0.000 1.130 402 F CA -0.673 57.202 58.000 -0.209 0.000 0.936 402 F CB 2.802 41.726 39.000 -0.127 0.000 1.219 402 F HN 0.331 nan 8.300 nan 0.000 0.445 403 E N 1.166 121.329 120.200 -0.061 0.000 2.367 403 E HA 0.781 5.131 4.350 -0.001 0.000 0.273 403 E C -0.270 176.291 176.600 -0.065 0.000 0.903 403 E CA -1.027 55.336 56.400 -0.063 0.000 0.764 403 E CB 3.017 32.706 29.700 -0.018 0.000 1.252 403 E HN 0.889 nan 8.360 nan 0.000 0.446 404 G N 1.546 110.333 108.800 -0.022 0.000 2.302 404 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.276 404 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.276 404 G C -3.065 171.829 174.900 -0.009 0.000 1.316 404 G CA -1.161 43.926 45.100 -0.022 0.000 0.988 404 G HN 0.328 nan 8.290 nan 0.000 0.479 405 P HA 0.173 nan 4.420 nan 0.000 0.267 405 P C 0.904 178.197 177.300 -0.011 0.000 1.200 405 P CA 0.067 63.166 63.100 -0.002 0.000 0.772 405 P CB 0.943 32.643 31.700 0.000 0.000 0.855 406 K N 3.477 123.871 120.400 -0.009 0.000 2.034 406 K HA -0.263 4.057 4.320 -0.001 0.000 0.214 406 K C 1.406 177.998 176.600 -0.014 0.000 1.051 406 K CA 1.983 58.260 56.287 -0.017 0.000 0.931 406 K CB -0.159 32.333 32.500 -0.013 0.000 0.715 406 K HN 0.287 nan 8.250 nan 0.000 0.446 407 K N 0.073 120.472 120.400 -0.002 0.000 2.103 407 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 407 K C 2.070 178.702 176.600 0.053 0.000 1.048 407 K CA 1.473 57.767 56.287 0.013 0.000 0.930 407 K CB -0.028 32.473 32.500 0.001 0.000 0.716 407 K HN 0.030 nan 8.250 nan 0.000 0.444 408 V N 0.715 120.658 119.914 0.048 0.000 2.323 408 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 408 V C 2.231 178.397 176.094 0.121 0.000 1.041 408 V CA 1.310 63.678 62.300 0.113 0.000 1.025 408 V CB -0.155 31.674 31.823 0.010 0.000 0.656 408 V HN 0.067 nan 8.190 nan 0.000 0.451 409 V N 0.324 120.229 119.914 -0.015 0.000 2.287 409 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 409 V C 2.314 178.287 176.094 -0.201 0.000 1.053 409 V CA 2.294 64.535 62.300 -0.099 0.000 1.027 409 V CB -0.762 31.012 31.823 -0.082 0.000 0.646 409 V HN 0.547 nan 8.190 nan 0.000 0.447 410 D N -0.466 119.862 120.400 -0.120 0.000 2.106 410 D HA -0.212 4.428 4.640 -0.001 0.000 0.191 410 D C 1.875 178.088 176.300 -0.145 0.000 0.997 410 D CA 1.550 55.458 54.000 -0.153 0.000 0.834 410 D CB -0.425 40.336 40.800 -0.065 0.000 0.956 410 D HN 0.437 nan 8.370 nan 0.000 0.448 411 F N 1.285 121.159 119.950 -0.126 0.000 2.069 411 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 411 F C 2.499 178.194 175.800 -0.175 0.000 1.113 411 F CA 1.741 59.670 58.000 -0.119 0.000 1.214 411 F CB -0.340 38.627 39.000 -0.054 0.000 0.978 411 F HN 0.118 nan 8.300 nan 0.000 0.474 412 H N -0.487 118.426 119.070 -0.261 0.000 2.353 412 H HA -0.144 4.412 4.556 -0.001 0.000 0.300 412 H C 2.532 177.500 175.328 -0.601 0.000 1.090 412 H CA 1.480 57.347 56.048 -0.301 0.000 1.327 412 H CB -0.316 29.464 29.762 0.030 0.000 1.383 412 H HN 0.235 nan 8.280 nan 0.000 0.508 413 R N 0.881 120.788 120.500 -0.987 0.000 2.080 413 R HA -0.148 4.192 4.340 -0.001 0.000 0.236 413 R C 2.579 178.237 176.300 -1.070 0.000 1.137 413 R CA 2.229 57.407 56.100 -1.536 0.000 0.943 413 R CB -0.476 28.914 30.300 -1.516 0.000 0.846 413 R HN 0.406 nan 8.270 nan 0.000 0.431 414 T N -1.835 112.280 114.554 -0.732 0.000 2.951 414 T HA -0.070 4.279 4.350 -0.001 0.000 0.268 414 T C 2.024 176.502 174.700 -0.371 0.000 1.073 414 T CA 1.609 63.421 62.100 -0.480 0.000 1.134 414 T CB -0.163 68.515 68.868 -0.317 0.000 0.884 414 T HN 0.265 nan 8.240 nan 0.000 0.479 415 S N 0.125 115.515 115.700 -0.517 0.000 2.355 415 S HA -0.050 4.419 4.470 -0.001 0.000 0.222 415 S C 2.049 176.509 174.600 -0.234 0.000 1.031 415 S CA 1.342 59.272 58.200 -0.451 0.000 0.993 415 S CB -0.659 62.106 63.200 -0.725 0.000 0.859 415 S HN 0.425 nan 8.310 nan 0.000 0.453 416 V N 1.438 121.250 119.914 -0.169 0.000 2.427 416 V HA -0.045 4.075 4.120 -0.001 0.000 0.248 416 V C 2.230 178.376 176.094 0.086 0.000 1.051 416 V CA 1.487 63.791 62.300 0.008 0.000 1.048 416 V CB -0.907 31.041 31.823 0.207 0.000 0.666 416 V HN 0.453 nan 8.190 nan 0.000 0.456 417 F N 1.084 120.919 119.950 -0.191 0.000 2.161 417 F HA -0.177 4.350 4.527 -0.001 0.000 0.300 417 F C 2.294 177.994 175.800 -0.166 0.000 1.089 417 F CA 1.655 59.531 58.000 -0.206 0.000 1.282 417 F CB -1.024 37.870 39.000 -0.176 0.000 1.010 417 F HN 0.339 nan 8.300 nan 0.000 0.485 418 D N 0.215 120.641 120.400 0.044 0.000 2.097 418 D HA -0.174 4.466 4.640 -0.001 0.000 0.195 418 D C 2.284 178.567 176.300 -0.029 0.000 0.989 418 D CA 1.265 55.258 54.000 -0.012 0.000 0.827 418 D CB -0.191 40.581 40.800 -0.047 0.000 0.966 418 D HN 0.250 nan 8.370 nan 0.000 0.456 419 I N 0.121 120.666 120.570 -0.042 0.000 2.226 419 I HA -0.243 3.927 4.170 -0.001 0.000 0.245 419 I C 2.348 178.443 176.117 -0.036 0.000 1.100 419 I CA 0.656 61.931 61.300 -0.043 0.000 1.374 419 I CB -0.298 37.671 38.000 -0.053 0.000 1.057 419 I HN 0.180 nan 8.210 nan 0.000 0.413 420 L N 0.572 121.749 121.223 -0.078 0.000 2.012 420 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 420 L C 2.830 179.653 176.870 -0.078 0.000 1.073 420 L CA 1.939 56.698 54.840 -0.134 0.000 0.748 420 L CB -0.698 41.066 42.059 -0.491 0.000 0.891 420 L HN 0.370 nan 8.230 nan 0.000 0.431 421 S N -0.794 114.861 115.700 -0.075 0.000 2.423 421 S HA -0.187 4.283 4.470 -0.001 0.000 0.231 421 S C 1.890 176.501 174.600 0.018 0.000 1.014 421 S CA 0.820 59.005 58.200 -0.025 0.000 0.965 421 S CB -0.267 62.922 63.200 -0.017 0.000 0.785 421 S HN 0.299 nan 8.310 nan 0.000 0.495 422 K N 1.441 121.850 120.400 0.016 0.000 2.362 422 K HA 0.166 4.485 4.320 -0.001 0.000 0.200 422 K C 0.672 177.311 176.600 0.065 0.000 1.046 422 K CA 0.708 57.014 56.287 0.030 0.000 0.952 422 K CB -0.021 32.483 32.500 0.007 0.000 0.753 422 K HN 0.396 nan 8.250 nan 0.000 0.466 423 N N -0.092 118.669 118.700 0.101 0.000 2.401 423 N HA 0.134 4.874 4.740 -0.001 0.000 0.264 423 N C -0.796 174.890 175.510 0.294 0.000 1.238 423 N CA 0.514 53.680 53.050 0.194 0.000 0.889 423 N CB 1.593 40.183 38.487 0.172 0.000 1.196 423 N HN 0.053 nan 8.380 nan 0.000 0.511 424 A N 0.063 122.983 122.820 0.167 0.000 2.869 424 A HA -0.192 4.127 4.320 -0.001 0.000 0.280 424 A C 0.598 178.176 177.584 -0.010 0.000 1.458 424 A CA 0.834 52.925 52.037 0.089 0.000 0.776 424 A CB -1.987 17.037 19.000 0.041 0.000 1.028 424 A HN 0.456 nan 8.150 nan 0.000 0.547 425 A N -0.766 121.997 122.820 -0.095 0.000 2.354 425 A HA 0.686 5.006 4.320 -0.001 0.000 0.269 425 A C -0.323 177.186 177.584 -0.124 0.000 1.109 425 A CA 0.180 51.953 52.037 -0.440 0.000 0.800 425 A CB 0.257 18.873 19.000 -0.639 0.000 1.045 425 A HN 1.626 nan 8.150 nan 0.000 0.489 426 F N 2.151 121.892 119.950 -0.348 0.000 2.449 426 F HA 0.597 5.123 4.527 -0.001 0.000 0.342 426 F C 0.603 176.242 175.800 -0.269 0.000 1.127 426 F CA -0.808 57.025 58.000 -0.278 0.000 0.975 426 F CB 1.256 39.945 39.000 -0.518 0.000 1.146 426 F HN 0.660 nan 8.300 nan 0.000 0.444 427 G N 6.237 114.530 108.800 -0.845 0.000 2.380 427 G HA2 0.338 4.298 3.960 -0.001 0.000 0.262 427 G HA3 0.338 4.298 3.960 -0.001 0.000 0.262 427 G C 0.251 174.472 174.900 -1.131 0.000 1.243 427 G CA -0.521 43.914 45.100 -1.108 0.000 0.865 427 G HN 0.850 nan 8.290 nan 0.000 0.513 428 L N 2.028 122.741 121.223 -0.850 0.000 2.585 428 L HA 0.327 4.666 4.340 -0.001 0.000 0.226 428 L C 1.517 178.204 176.870 -0.305 0.000 1.113 428 L CA 0.652 55.211 54.840 -0.468 0.000 0.876 428 L CB -0.612 41.314 42.059 -0.222 0.000 1.072 428 L HN 0.941 nan 8.230 nan 0.000 0.468 429 G N -0.111 108.485 108.800 -0.340 0.000 2.655 429 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.680 429 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.680 429 G C -0.303 174.610 174.900 0.022 0.000 1.302 429 G CA -0.363 44.672 45.100 -0.108 0.000 0.872 429 G HN 0.003 nan 8.290 nan 0.000 0.540 430 S N -0.118 115.605 115.700 0.039 0.000 2.596 430 S HA 0.492 4.961 4.470 -0.001 0.000 0.298 430 S C 0.897 175.430 174.600 -0.111 0.000 1.255 430 S CA 1.020 59.108 58.200 -0.186 0.000 1.083 430 S CB -0.472 62.650 63.200 -0.130 0.000 0.837 430 S HN 2.134 nan 8.310 nan 0.000 0.499 431 A N 7.165 129.912 122.820 -0.122 0.000 2.306 431 A HA 0.790 5.109 4.320 -0.001 0.000 0.330 431 A C -2.332 175.255 177.584 0.005 0.000 1.146 431 A CA -1.787 50.236 52.037 -0.023 0.000 0.827 431 A CB 0.490 19.500 19.000 0.018 0.000 1.178 431 A HN 0.703 nan 8.150 nan 0.000 0.490 432 P HA 0.150 nan 4.420 nan 0.000 0.274 432 P C 1.126 178.392 177.300 -0.058 0.000 1.237 432 P CA 0.308 63.404 63.100 -0.008 0.000 0.793 432 P CB 0.742 32.406 31.700 -0.060 0.000 0.977 433 G N 2.692 111.505 108.800 0.021 0.000 2.550 433 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.222 433 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.222 433 G C 1.165 175.847 174.900 -0.364 0.000 1.113 433 G CA 0.861 45.846 45.100 -0.192 0.000 0.748 433 G HN 0.723 nan 8.290 nan 0.000 0.585 434 K N 0.782 121.037 120.400 -0.242 0.000 2.525 434 K HA 0.018 4.338 4.320 -0.001 0.000 0.192 434 K C 1.979 178.351 176.600 -0.379 0.000 1.029 434 K CA 1.385 57.509 56.287 -0.272 0.000 1.029 434 K CB -0.331 32.049 32.500 -0.199 0.000 0.814 434 K HN 0.354 nan 8.250 nan 0.000 0.503 435 T N -2.656 111.650 114.554 -0.412 0.000 3.035 435 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 435 T C 1.312 175.807 174.700 -0.342 0.000 1.109 435 T CA -0.025 61.776 62.100 -0.499 0.000 1.119 435 T CB -0.377 68.228 68.868 -0.439 0.000 0.900 435 T HN 0.556 nan 8.240 nan 0.000 0.503 436 W N 1.060 122.001 121.300 -0.599 0.000 2.780 436 W HA 0.434 5.093 4.660 -0.001 0.000 0.272 436 W C 2.145 178.315 176.519 -0.582 0.000 1.116 436 W CA 0.373 57.378 57.345 -0.567 0.000 1.600 436 W CB 0.011 29.027 29.460 -0.741 0.000 1.086 436 W HN 0.327 nan 8.180 nan 0.000 0.584 437 A N 1.511 123.990 122.820 -0.568 0.000 1.839 437 A HA -0.196 4.124 4.320 -0.001 0.000 0.213 437 A C 1.530 178.573 177.584 -0.901 0.000 1.274 437 A CA 1.944 53.507 52.037 -0.790 0.000 0.608 437 A CB -1.276 17.586 19.000 -0.230 0.000 0.920 437 A HN 0.233 nan 8.150 nan 0.000 0.465 438 E N -0.019 119.964 120.200 -0.362 0.000 2.219 438 E HA -0.193 4.157 4.350 -0.001 0.000 0.198 438 E C 1.798 178.274 176.600 -0.207 0.000 0.998 438 E CA 1.499 57.815 56.400 -0.140 0.000 0.818 438 E CB -0.296 29.352 29.700 -0.087 0.000 0.741 438 E HN 0.657 nan 8.360 nan 0.000 0.477 439 K N 0.592 120.769 120.400 -0.372 0.000 1.991 439 K HA -0.136 4.184 4.320 -0.001 0.000 0.212 439 K C 2.040 178.465 176.600 -0.292 0.000 1.049 439 K CA 1.546 57.635 56.287 -0.331 0.000 0.932 439 K CB 0.017 32.250 32.500 -0.445 0.000 0.717 439 K HN -0.032 nan 8.250 nan 0.000 0.441 440 R N -1.010 119.173 120.500 -0.527 0.000 2.090 440 R HA -0.072 4.268 4.340 -0.001 0.000 0.228 440 R C 2.288 178.463 176.300 -0.208 0.000 1.110 440 R CA 1.726 57.530 56.100 -0.492 0.000 0.973 440 R CB -0.258 29.556 30.300 -0.811 0.000 0.869 440 R HN 0.390 nan 8.270 nan 0.000 0.440 441 Y N 0.075 120.322 120.300 -0.089 0.000 2.314 441 Y HA -0.097 4.453 4.550 -0.001 0.000 0.293 441 Y C 1.533 177.563 175.900 0.217 0.000 1.129 441 Y CA -0.045 58.108 58.100 0.088 0.000 1.201 441 Y CB 0.151 38.721 38.460 0.182 0.000 0.999 441 Y HN 0.011 nan 8.280 nan 0.000 0.541 442 D N 0.274 120.903 120.400 0.382 0.000 2.317 442 D HA -0.076 4.563 4.640 -0.001 0.000 0.211 442 D C 2.030 178.519 176.300 0.315 0.000 0.966 442 D CA 0.564 54.890 54.000 0.544 0.000 0.876 442 D CB -0.145 41.003 40.800 0.579 0.000 0.927 442 D HN 0.322 nan 8.370 nan 0.000 0.519 443 L N 0.799 122.043 121.223 0.034 0.000 2.043 443 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 443 L C -0.475 176.257 176.870 -0.229 0.000 1.075 443 L CA 1.444 56.171 54.840 -0.188 0.000 0.752 443 L CB -1.540 40.405 42.059 -0.190 0.000 0.891 443 L HN 0.090 nan 8.230 nan 0.000 0.432 444 P HA -0.171 nan 4.420 nan 0.000 0.220 444 P C 1.164 178.285 177.300 -0.298 0.000 1.148 444 P CA 1.269 64.037 63.100 -0.553 0.000 0.803 444 P CB -0.073 30.749 31.700 -1.463 0.000 0.782 445 Y N -0.567 119.726 120.300 -0.012 0.000 2.315 445 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 445 Y C 2.221 178.170 175.900 0.082 0.000 1.154 445 Y CA 0.754 58.946 58.100 0.153 0.000 1.229 445 Y CB -0.956 37.657 38.460 0.255 0.000 0.980 445 Y HN -0.059 nan 8.280 nan 0.000 0.540 446 I N -0.318 120.279 120.570 0.045 0.000 2.439 446 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 446 I C 2.559 178.709 176.117 0.054 0.000 1.139 446 I CA 1.039 62.310 61.300 -0.048 0.000 1.438 446 I CB -0.416 37.370 38.000 -0.358 0.000 1.085 446 I HN 0.156 nan 8.210 nan 0.000 0.427 447 R N 1.473 121.975 120.500 0.004 0.000 2.081 447 R HA -0.187 4.152 4.340 -0.001 0.000 0.235 447 R C 1.770 178.120 176.300 0.083 0.000 1.131 447 R CA 1.940 58.053 56.100 0.022 0.000 0.960 447 R CB -0.115 30.166 30.300 -0.033 0.000 0.856 447 R HN 0.263 nan 8.270 nan 0.000 0.436 448 D N -0.009 120.460 120.400 0.115 0.000 2.117 448 D HA -0.193 4.447 4.640 -0.001 0.000 0.197 448 D C 1.585 177.983 176.300 0.163 0.000 0.987 448 D CA 1.147 55.220 54.000 0.121 0.000 0.829 448 D CB -0.360 40.531 40.800 0.151 0.000 0.961 448 D HN 0.236 nan 8.370 nan 0.000 0.460 449 F N 1.512 121.539 119.950 0.129 0.000 2.075 449 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 449 F C 2.232 178.167 175.800 0.224 0.000 1.113 449 F CA 1.122 59.241 58.000 0.199 0.000 1.218 449 F CB -0.220 38.886 39.000 0.177 0.000 0.984 449 F HN -0.140 nan 8.300 nan 0.000 0.472 450 L N 0.114 121.478 121.223 0.235 0.000 1.997 450 L HA -0.310 4.029 4.340 -0.001 0.000 0.216 450 L C 2.530 179.417 176.870 0.028 0.000 1.074 450 L CA 1.681 56.584 54.840 0.105 0.000 0.763 450 L CB -1.113 41.001 42.059 0.091 0.000 0.890 450 L HN 0.286 nan 8.230 nan 0.000 0.434 451 L N -0.523 120.718 121.223 0.030 0.000 2.131 451 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 451 L C 1.848 178.663 176.870 -0.092 0.000 1.092 451 L CA 0.965 55.806 54.840 0.001 0.000 0.759 451 L CB -0.535 41.525 42.059 0.002 0.000 0.903 451 L HN 0.292 nan 8.230 nan 0.000 0.435 452 D N -1.307 118.982 120.400 -0.186 0.000 2.363 452 D HA -0.059 4.581 4.640 -0.001 0.000 0.220 452 D C 0.475 176.356 176.300 -0.698 0.000 0.994 452 D CA 0.915 54.672 54.000 -0.404 0.000 0.890 452 D CB 0.049 40.556 40.800 -0.488 0.000 0.906 452 D HN 0.435 nan 8.370 nan 0.000 0.530 453 H N -0.762 118.162 119.070 -0.244 0.000 2.676 453 H HA 0.200 4.756 4.556 -0.001 0.000 0.238 453 H C -0.158 175.098 175.328 -0.120 0.000 1.276 453 H CA -0.361 55.552 56.048 -0.224 0.000 0.983 453 H CB 0.140 29.689 29.762 -0.356 0.000 2.000 453 H HN -0.209 nan 8.280 nan 0.000 0.584 454 N N 0.542 119.231 118.700 -0.019 0.000 2.818 454 N HA -0.167 4.573 4.740 -0.001 0.000 0.250 454 N C -1.033 174.508 175.510 0.052 0.000 1.108 454 N CA 0.917 53.980 53.050 0.021 0.000 0.745 454 N CB -0.810 37.685 38.487 0.013 0.000 1.104 454 N HN 0.486 nan 8.380 nan 0.000 0.557 455 M N -0.217 119.414 119.600 0.051 0.000 2.658 455 M HA 0.659 5.139 4.480 -0.001 0.000 0.295 455 M C -0.623 175.749 176.300 0.120 0.000 1.248 455 M CA -0.740 54.569 55.300 0.016 0.000 0.843 455 M CB 2.090 34.662 32.600 -0.047 0.000 1.749 455 M HN 0.225 nan 8.290 nan 0.000 0.464 456 W N 0.345 121.664 121.300 0.032 0.000 2.975 456 W HA 0.888 5.547 4.660 -0.000 0.000 0.342 456 W C -2.324 174.212 176.519 0.029 0.000 1.168 456 W CA -1.169 56.191 57.345 0.025 0.000 1.141 456 W CB 0.700 30.182 29.460 0.037 0.000 1.445 456 W HN 0.576 nan 8.180 nan 0.000 0.560 457 V N 1.585 121.685 119.914 0.309 0.000 2.932 457 V HA 0.499 4.619 4.120 -0.001 0.000 0.307 457 V C -1.694 174.492 176.094 0.154 0.000 1.147 457 V CA -0.092 62.281 62.300 0.121 0.000 0.951 457 V CB 2.035 33.854 31.823 -0.007 0.000 1.031 457 V HN 0.733 nan 8.190 nan 0.000 0.426 458 D N 2.013 122.333 120.400 -0.134 0.000 2.614 458 D HA 0.799 5.439 4.640 -0.001 0.000 0.264 458 D C -1.118 174.659 176.300 -0.871 0.000 1.092 458 D CA 0.251 54.002 54.000 -0.415 0.000 1.071 458 D CB 2.520 43.148 40.800 -0.287 0.000 1.443 458 D HN 0.870 nan 8.370 nan 0.000 0.528 459 V N -2.460 117.095 119.914 -0.597 0.000 3.078 459 V HA 1.012 5.132 4.120 -0.001 0.000 0.311 459 V C -1.361 174.636 176.094 -0.162 0.000 1.138 459 V CA -0.913 61.117 62.300 -0.450 0.000 1.007 459 V CB 1.356 32.958 31.823 -0.367 0.000 1.045 459 V HN 0.745 nan 8.190 nan 0.000 0.432 460 A N 1.901 124.671 122.820 -0.084 0.000 2.408 460 A HA 0.811 5.131 4.320 -0.001 0.000 0.295 460 A C -0.822 176.717 177.584 -0.075 0.000 1.040 460 A CA -0.442 51.624 52.037 0.048 0.000 0.707 460 A CB 1.641 20.777 19.000 0.227 0.000 1.235 460 A HN 1.100 nan 8.150 nan 0.000 0.418 461 E N 1.285 121.459 120.200 -0.044 0.000 2.171 461 E HA 0.651 5.001 4.350 -0.001 0.000 0.271 461 E C -0.968 175.710 176.600 0.129 0.000 0.916 461 E CA -0.274 56.144 56.400 0.030 0.000 0.774 461 E CB 1.640 31.422 29.700 0.135 0.000 1.128 461 E HN 0.611 nan 8.360 nan 0.000 0.403 462 T N 2.170 116.819 114.554 0.159 0.000 2.916 462 T HA 0.352 4.702 4.350 -0.001 0.000 0.305 462 T C -1.060 173.728 174.700 0.146 0.000 1.119 462 T CA -0.485 61.709 62.100 0.157 0.000 1.008 462 T CB 1.629 70.613 68.868 0.193 0.000 1.129 462 T HN 0.375 nan 8.240 nan 0.000 0.480 463 T N 2.878 117.499 114.554 0.112 0.000 2.845 463 T HA 0.671 5.021 4.350 -0.001 0.000 0.288 463 T C -0.739 173.999 174.700 0.063 0.000 0.980 463 T CA -0.514 61.638 62.100 0.086 0.000 1.071 463 T CB 1.260 70.118 68.868 -0.016 0.000 0.941 463 T HN 0.605 nan 8.240 nan 0.000 0.487 464 V N 3.050 122.993 119.914 0.049 0.000 2.891 464 V HA 0.589 4.709 4.120 -0.001 0.000 0.304 464 V C -0.135 175.943 176.094 -0.026 0.000 1.171 464 V CA -0.839 61.484 62.300 0.040 0.000 0.943 464 V CB 2.405 34.281 31.823 0.088 0.000 1.037 464 V HN 1.094 nan 8.190 nan 0.000 0.427 465 S N 5.033 120.723 115.700 -0.016 0.000 2.573 465 S HA 0.189 4.658 4.470 -0.001 0.000 0.277 465 S C 0.784 175.369 174.600 -0.024 0.000 1.346 465 S CA 0.294 58.465 58.200 -0.048 0.000 1.034 465 S CB 0.238 63.450 63.200 0.019 0.000 0.879 465 S HN 0.738 nan 8.310 nan 0.000 0.528 466 Y N 1.429 121.755 120.300 0.043 0.000 2.298 466 Y HA -0.183 4.367 4.550 -0.001 0.000 0.287 466 Y C 2.708 178.623 175.900 0.026 0.000 1.164 466 Y CA 1.149 59.258 58.100 0.015 0.000 1.229 466 Y CB -0.611 37.843 38.460 -0.011 0.000 0.977 466 Y HN 0.875 nan 8.280 nan 0.000 0.538 467 A N 0.221 123.151 122.820 0.184 0.000 1.930 467 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 467 A C 1.808 179.474 177.584 0.137 0.000 1.175 467 A CA 1.643 53.759 52.037 0.132 0.000 0.627 467 A CB -0.341 18.719 19.000 0.100 0.000 0.815 467 A HN 0.441 nan 8.150 nan 0.000 0.443 468 N N -0.619 118.166 118.700 0.143 0.000 2.254 468 N HA 0.033 4.773 4.740 -0.001 0.000 0.190 468 N C 1.390 176.995 175.510 0.158 0.000 1.107 468 N CA 0.349 53.510 53.050 0.184 0.000 0.869 468 N CB 0.260 38.874 38.487 0.211 0.000 0.983 468 N HN 0.394 nan 8.380 nan 0.000 0.487 469 L N 1.936 123.250 121.223 0.151 0.000 1.970 469 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 469 L C 2.011 179.033 176.870 0.253 0.000 1.071 469 L CA 1.986 56.928 54.840 0.171 0.000 0.751 469 L CB -0.682 41.469 42.059 0.154 0.000 0.889 469 L HN 0.056 nan 8.230 nan 0.000 0.432 470 Q N -1.232 118.727 119.800 0.265 0.000 2.172 470 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 470 Q C 1.964 178.167 176.000 0.338 0.000 0.964 470 Q CA 1.845 57.882 55.803 0.390 0.000 0.855 470 Q CB -0.180 28.742 28.738 0.306 0.000 0.918 470 Q HN 0.804 nan 8.270 nan 0.000 0.444 471 T N -0.831 113.830 114.554 0.178 0.000 2.985 471 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 471 T C 1.774 176.329 174.700 -0.242 0.000 1.076 471 T CA 0.532 62.670 62.100 0.063 0.000 1.135 471 T CB -0.125 68.839 68.868 0.160 0.000 0.890 471 T HN 0.134 nan 8.240 nan 0.000 0.480 472 L N 0.016 121.030 121.223 -0.347 0.000 2.027 472 L HA 0.190 4.530 4.340 -0.001 0.000 0.206 472 L C 2.271 179.101 176.870 -0.066 0.000 1.074 472 L CA 1.453 55.970 54.840 -0.539 0.000 0.745 472 L CB -1.173 40.728 42.059 -0.264 0.000 0.898 472 L HN 0.476 nan 8.230 nan 0.000 0.433 473 W N 1.038 122.324 121.300 -0.024 0.000 2.335 473 W HA -0.254 4.406 4.660 -0.000 0.000 0.311 473 W C 2.605 179.106 176.519 -0.030 0.000 1.213 473 W CA 2.626 59.986 57.345 0.024 0.000 1.274 473 W CB -0.248 29.147 29.460 -0.108 0.000 1.148 473 W HN 0.122 nan 8.180 nan 0.000 0.498 474 K N -0.291 119.963 120.400 -0.243 0.000 2.062 474 K HA -0.182 4.137 4.320 -0.001 0.000 0.205 474 K C 1.874 178.273 176.600 -0.334 0.000 1.051 474 K CA 1.633 57.611 56.287 -0.515 0.000 0.941 474 K CB -0.597 31.802 32.500 -0.168 0.000 0.719 474 K HN 0.002 nan 8.250 nan 0.000 0.440 475 D N 0.244 120.518 120.400 -0.210 0.000 2.144 475 D HA -0.080 4.559 4.640 -0.001 0.000 0.200 475 D C 1.649 177.848 176.300 -0.168 0.000 0.978 475 D CA 1.019 54.931 54.000 -0.147 0.000 0.833 475 D CB 0.115 40.862 40.800 -0.088 0.000 0.961 475 D HN 0.265 nan 8.370 nan 0.000 0.470 476 A N 0.897 123.577 122.820 -0.233 0.000 1.877 476 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 476 A C 2.176 179.605 177.584 -0.258 0.000 1.186 476 A CA 1.549 53.403 52.037 -0.305 0.000 0.620 476 A CB -0.340 18.333 19.000 -0.545 0.000 0.822 476 A HN 0.154 nan 8.150 nan 0.000 0.443 477 K N -0.620 119.621 120.400 -0.265 0.000 2.025 477 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 477 K C 2.420 178.953 176.600 -0.113 0.000 1.049 477 K CA 1.673 57.826 56.287 -0.223 0.000 0.933 477 K CB -0.221 32.024 32.500 -0.424 0.000 0.714 477 K HN 0.590 nan 8.250 nan 0.000 0.438 478 Q N -0.091 119.614 119.800 -0.159 0.000 2.050 478 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 478 Q C 2.096 178.081 176.000 -0.025 0.000 0.980 478 Q CA 1.887 57.638 55.803 -0.087 0.000 0.840 478 Q CB -0.143 28.533 28.738 -0.104 0.000 0.898 478 Q HN 0.309 nan 8.270 nan 0.000 0.424 479 T N 0.753 115.290 114.554 -0.029 0.000 2.788 479 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 479 T C 1.329 176.058 174.700 0.049 0.000 1.044 479 T CA 1.152 63.250 62.100 -0.004 0.000 1.139 479 T CB -0.309 68.542 68.868 -0.029 0.000 0.867 479 T HN 0.270 nan 8.240 nan 0.000 0.454 480 F N 1.544 121.454 119.950 -0.066 0.000 2.128 480 F HA -0.028 4.498 4.527 -0.001 0.000 0.295 480 F C 2.207 178.128 175.800 0.202 0.000 1.100 480 F CA 0.682 58.699 58.000 0.028 0.000 1.260 480 F CB -0.509 38.435 39.000 -0.092 0.000 1.009 480 F HN -0.116 nan 8.300 nan 0.000 0.476 481 V N 1.071 121.065 119.914 0.134 0.000 2.261 481 V HA -0.319 3.801 4.120 -0.001 0.000 0.246 481 V C 2.532 178.645 176.094 0.032 0.000 1.047 481 V CA 2.324 64.662 62.300 0.063 0.000 1.015 481 V CB -0.769 31.100 31.823 0.077 0.000 0.642 481 V HN 0.293 nan 8.190 nan 0.000 0.446 482 K N -0.559 119.853 120.400 0.020 0.000 2.152 482 K HA -0.283 4.037 4.320 -0.001 0.000 0.206 482 K C 2.161 178.744 176.600 -0.027 0.000 1.048 482 K CA 2.021 58.307 56.287 -0.001 0.000 0.933 482 K CB -0.265 32.233 32.500 -0.003 0.000 0.721 482 K HN 0.673 nan 8.250 nan 0.000 0.447 483 H N -1.121 117.857 119.070 -0.153 0.000 2.489 483 H HA -0.081 4.475 4.556 -0.001 0.000 0.293 483 H C 1.179 176.249 175.328 -0.430 0.000 1.066 483 H CA 1.830 57.700 56.048 -0.296 0.000 1.305 483 H CB 0.094 29.623 29.762 -0.387 0.000 1.386 483 H HN 0.164 nan 8.280 nan 0.000 0.551 484 F N -0.275 119.510 119.950 -0.276 0.000 2.419 484 F HA 0.124 4.651 4.527 -0.000 0.000 0.283 484 F C 2.505 178.202 175.800 -0.173 0.000 1.044 484 F CA 0.208 58.047 58.000 -0.269 0.000 1.376 484 F CB -0.147 38.692 39.000 -0.269 0.000 1.131 484 F HN -0.035 nan 8.300 nan 0.000 0.585 485 K N 0.884 121.321 120.400 0.062 0.000 2.074 485 K HA -0.222 4.097 4.320 -0.001 0.000 0.209 485 K C 1.007 177.595 176.600 -0.019 0.000 1.048 485 K CA 2.101 58.401 56.287 0.022 0.000 0.926 485 K CB -0.546 31.964 32.500 0.017 0.000 0.713 485 K HN 0.168 nan 8.250 nan 0.000 0.444 486 D N 0.515 120.879 120.400 -0.059 0.000 2.310 486 D HA -0.115 4.525 4.640 -0.001 0.000 0.212 486 D C 1.777 178.018 176.300 -0.098 0.000 0.965 486 D CA 0.754 54.708 54.000 -0.076 0.000 0.879 486 D CB 0.104 40.851 40.800 -0.088 0.000 0.921 486 D HN 0.429 nan 8.370 nan 0.000 0.510 487 Q N -0.683 119.039 119.800 -0.129 0.000 2.424 487 Q HA 0.114 4.454 4.340 -0.001 0.000 0.204 487 Q C 0.875 176.851 176.000 -0.040 0.000 0.933 487 Q CA 0.739 56.470 55.803 -0.120 0.000 0.929 487 Q CB 0.456 29.072 28.738 -0.204 0.000 1.037 487 Q HN 0.237 nan 8.270 nan 0.000 0.511 488 G N 0.669 109.462 108.800 -0.013 0.000 2.131 488 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.223 488 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.223 488 G C -0.133 174.789 174.900 0.038 0.000 0.990 488 G CA 0.126 45.232 45.100 0.011 0.000 0.671 488 G HN 0.308 nan 8.290 nan 0.000 0.521 489 I N 1.073 121.685 120.570 0.070 0.000 2.433 489 I HA 0.365 4.535 4.170 -0.001 0.000 0.292 489 I C -2.201 173.959 176.117 0.071 0.000 1.001 489 I CA -2.672 58.691 61.300 0.105 0.000 1.119 489 I CB 2.316 40.451 38.000 0.225 0.000 1.289 489 I HN -0.160 nan 8.210 nan 0.000 0.438 490 P HA 0.360 nan 4.420 nan 0.000 0.272 490 P C -1.131 176.090 177.300 -0.131 0.000 1.223 490 P CA -0.235 62.851 63.100 -0.024 0.000 0.784 490 P CB 0.898 32.586 31.700 -0.020 0.000 0.923 491 A N 1.453 124.223 122.820 -0.084 0.000 2.582 491 A HA 0.578 4.898 4.320 -0.001 0.000 0.297 491 A C -2.390 175.314 177.584 0.200 0.000 1.059 491 A CA -0.470 51.489 52.037 -0.130 0.000 0.705 491 A CB 0.602 19.291 19.000 -0.518 0.000 1.279 491 A HN 0.536 nan 8.150 nan 0.000 0.404 492 W N 1.954 123.320 121.300 0.110 0.000 3.032 492 W HA 0.796 5.456 4.660 -0.001 0.000 0.335 492 W C -1.698 174.931 176.519 0.183 0.000 1.154 492 W CA -0.596 56.816 57.345 0.112 0.000 1.204 492 W CB 1.456 30.919 29.460 0.006 0.000 1.416 492 W HN 0.828 nan 8.180 nan 0.000 0.521 493 I N 6.998 127.271 120.570 -0.495 0.000 2.644 493 I HA 0.537 4.707 4.170 -0.001 0.000 0.291 493 I C -0.780 174.863 176.117 -0.790 0.000 1.180 493 I CA -0.402 60.596 61.300 -0.502 0.000 1.040 493 I CB 0.760 38.570 38.000 -0.316 0.000 1.255 493 I HN 0.729 nan 8.210 nan 0.000 0.422 494 C N 4.984 123.928 119.300 -0.594 0.000 2.973 494 C HA 1.062 5.522 4.460 -0.001 0.000 0.329 494 C C -0.260 174.733 174.990 0.005 0.000 1.327 494 C CA -0.130 58.707 59.018 -0.301 0.000 1.632 494 C CB 0.964 28.546 27.740 -0.262 0.000 2.098 494 C HN 1.049 nan 8.230 nan 0.000 0.469 495 A N 0.545 123.414 122.820 0.082 0.000 2.587 495 A HA 0.944 5.263 4.320 -0.001 0.000 0.293 495 A C -0.974 176.695 177.584 0.141 0.000 1.087 495 A CA -0.379 51.641 52.037 -0.028 0.000 0.692 495 A CB 1.306 20.133 19.000 -0.289 0.000 1.291 495 A HN 1.567 nan 8.150 nan 0.000 0.407 496 H N -0.415 118.684 119.070 0.048 0.000 2.928 496 H HA 0.722 5.277 4.556 -0.000 0.000 0.371 496 H C -1.745 173.552 175.328 -0.052 0.000 1.186 496 H CA -1.041 54.995 56.048 -0.020 0.000 1.134 496 H CB 1.354 31.021 29.762 -0.158 0.000 1.824 496 H HN 0.475 nan 8.280 nan 0.000 0.554 497 I N 2.190 122.777 120.570 0.028 0.000 2.339 497 I HA 0.053 4.223 4.170 -0.001 0.000 0.290 497 I C 0.912 177.010 176.117 -0.032 0.000 0.994 497 I CA -0.319 60.968 61.300 -0.022 0.000 1.191 497 I CB 1.880 39.842 38.000 -0.063 0.000 1.343 497 I HN 0.749 nan 8.210 nan 0.000 0.458 498 S N 3.546 119.246 115.700 -0.001 0.000 2.505 498 S HA 0.256 4.725 4.470 -0.001 0.000 0.216 498 S C 0.287 174.752 174.600 -0.225 0.000 1.018 498 S CA -0.016 58.136 58.200 -0.080 0.000 0.911 498 S CB 0.070 63.252 63.200 -0.030 0.000 0.818 498 S HN 0.675 nan 8.310 nan 0.000 0.497 499 H N 0.910 119.962 119.070 -0.031 0.000 2.974 499 H HA 0.553 5.108 4.556 -0.001 0.000 0.366 499 H C -0.900 174.173 175.328 -0.425 0.000 1.155 499 H CA -0.417 55.500 56.048 -0.218 0.000 1.186 499 H CB 2.111 31.710 29.762 -0.272 0.000 1.799 499 H HN 0.281 nan 8.280 nan 0.000 0.541 500 T N 0.238 114.576 114.554 -0.359 0.000 2.885 500 T HA 0.634 4.984 4.350 -0.001 0.000 0.285 500 T C -1.069 173.273 174.700 -0.596 0.000 1.019 500 T CA -0.620 61.247 62.100 -0.387 0.000 1.010 500 T CB 1.252 70.069 68.868 -0.085 0.000 1.022 500 T HN 0.419 nan 8.240 nan 0.000 0.466 501 Y N -0.127 120.163 120.300 -0.017 0.000 2.693 501 Y HA 0.453 5.003 4.550 -0.000 0.000 0.331 501 Y C 2.229 178.141 175.900 0.021 0.000 1.092 501 Y CA -1.245 56.844 58.100 -0.017 0.000 1.131 501 Y CB 0.661 39.086 38.460 -0.058 0.000 1.318 501 Y HN 0.644 nan 8.280 nan 0.000 0.510 502 T N 0.170 114.849 114.554 0.208 0.000 2.665 502 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 502 T C 1.066 175.895 174.700 0.215 0.000 1.035 502 T CA 2.326 64.525 62.100 0.165 0.000 1.151 502 T CB -0.306 68.629 68.868 0.110 0.000 0.862 502 T HN 0.519 nan 8.240 nan 0.000 0.438 503 N N 0.745 119.523 118.700 0.131 0.000 2.291 503 N HA 0.328 5.068 4.740 -0.001 0.000 0.244 503 N C -0.163 175.233 175.510 -0.189 0.000 1.216 503 N CA 0.044 53.164 53.050 0.117 0.000 0.879 503 N CB 0.626 39.164 38.487 0.084 0.000 1.167 503 N HN 0.447 nan 8.380 nan 0.000 0.515 504 G N -1.055 107.434 108.800 -0.517 0.000 2.489 504 G HA2 0.500 4.459 3.960 -0.001 0.000 0.305 504 G HA3 0.500 4.459 3.960 -0.001 0.000 0.305 504 G C -1.762 172.858 174.900 -0.468 0.000 1.311 504 G CA -0.036 44.680 45.100 -0.640 0.000 0.813 504 G HN 0.459 nan 8.290 nan 0.000 0.480 505 V N -3.556 116.263 119.914 -0.159 0.000 3.147 505 V HA 0.724 4.843 4.120 -0.001 0.000 0.306 505 V C -0.425 175.778 176.094 0.182 0.000 1.209 505 V CA -1.136 61.145 62.300 -0.031 0.000 1.023 505 V CB 1.191 32.961 31.823 -0.088 0.000 1.059 505 V HN 1.464 nan 8.190 nan 0.000 0.435 506 C N 4.153 123.580 119.300 0.213 0.000 2.349 506 C HA 0.737 5.197 4.460 -0.001 0.000 0.348 506 C C -0.125 174.938 174.990 0.121 0.000 1.223 506 C CA -0.236 58.931 59.018 0.249 0.000 1.746 506 C CB -0.906 27.048 27.740 0.357 0.000 2.360 506 C HN 0.926 nan 8.230 nan 0.000 0.533 507 L N 7.313 128.585 121.223 0.081 0.000 2.282 507 L HA 0.504 4.843 4.340 -0.001 0.000 0.288 507 L C -0.961 175.859 176.870 -0.084 0.000 1.033 507 L CA -0.197 54.616 54.840 -0.046 0.000 0.807 507 L CB 0.967 42.984 42.059 -0.069 0.000 1.209 507 L HN 0.731 nan 8.230 nan 0.000 0.423 508 Y N 5.001 125.051 120.300 -0.417 0.000 2.328 508 Y HA 0.557 5.107 4.550 -0.000 0.000 0.333 508 Y C -1.177 174.454 175.900 -0.448 0.000 0.958 508 Y CA -0.546 57.304 58.100 -0.415 0.000 1.167 508 Y CB 0.941 38.964 38.460 -0.727 0.000 1.151 508 Y HN 0.531 nan 8.280 nan 0.000 0.470 509 F N 6.295 126.086 119.950 -0.264 0.000 2.399 509 F HA 0.569 5.096 4.527 -0.000 0.000 0.334 509 F C -0.344 175.372 175.800 -0.140 0.000 1.097 509 F CA -0.641 57.297 58.000 -0.103 0.000 1.076 509 F CB 1.126 40.122 39.000 -0.006 0.000 1.162 509 F HN 0.235 nan 8.300 nan 0.000 0.495 510 I N 4.102 124.774 120.570 0.171 0.000 2.436 510 I HA 0.397 4.567 4.170 -0.001 0.000 0.289 510 I C -1.199 174.951 176.117 0.054 0.000 1.010 510 I CA -0.713 60.619 61.300 0.053 0.000 1.098 510 I CB 1.344 39.464 38.000 0.199 0.000 1.266 510 I HN 0.417 nan 8.210 nan 0.000 0.434 511 F N 4.586 124.493 119.950 -0.073 0.000 2.569 511 F HA 0.963 5.490 4.527 -0.000 0.000 0.312 511 F C -0.672 175.054 175.800 -0.123 0.000 1.109 511 F CA -0.926 56.909 58.000 -0.274 0.000 0.919 511 F CB 1.475 39.940 39.000 -0.891 0.000 1.211 511 F HN 0.397 nan 8.300 nan 0.000 0.446 512 A N 1.869 124.703 122.820 0.023 0.000 2.515 512 A HA 0.873 5.192 4.320 -0.001 0.000 0.298 512 A C -1.027 176.210 177.584 -0.579 0.000 1.059 512 A CA -0.297 51.505 52.037 -0.392 0.000 0.698 512 A CB 1.845 20.784 19.000 -0.103 0.000 1.289 512 A HN 1.163 nan 8.150 nan 0.000 0.404 513 S N 0.339 115.288 115.700 -1.252 0.000 2.843 513 S HA 0.605 5.075 4.470 -0.001 0.000 0.301 513 S C -1.184 172.998 174.600 -0.697 0.000 1.206 513 S CA -0.585 57.091 58.200 -0.873 0.000 0.875 513 S CB 1.037 63.660 63.200 -0.962 0.000 1.248 513 S HN 0.683 nan 8.310 nan 0.000 0.555 514 K N 1.189 121.431 120.400 -0.264 0.000 2.118 514 K HA 0.394 4.713 4.320 -0.001 0.000 0.267 514 K C -0.453 176.295 176.600 0.247 0.000 0.991 514 K CA -0.495 55.778 56.287 -0.025 0.000 0.916 514 K CB 0.861 33.373 32.500 0.021 0.000 1.041 514 K HN 0.507 nan 8.250 nan 0.000 0.455 515 Q N 2.159 122.128 119.800 0.281 0.000 2.352 515 Q HA 0.011 4.350 4.340 -0.001 0.000 0.260 515 Q C 0.213 176.332 176.000 0.198 0.000 0.976 515 Q CA -0.297 55.694 55.803 0.313 0.000 0.881 515 Q CB 0.575 29.439 28.738 0.209 0.000 1.235 515 Q HN 0.564 nan 8.270 nan 0.000 0.419 528 K N 0.268 120.750 120.400 0.135 0.000 2.167 528 K HA -0.033 4.286 4.320 -0.001 0.000 0.203 528 K C 1.852 178.451 176.600 -0.001 0.000 1.052 528 K CA 1.640 57.985 56.287 0.097 0.000 0.956 528 K CB -0.041 32.574 32.500 0.193 0.000 0.735 528 K HN 0.300 nan 8.250 nan 0.000 0.451 529 K N 0.969 121.360 120.400 -0.015 0.000 2.147 529 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 529 K C 1.975 178.525 176.600 -0.083 0.000 1.049 529 K CA 0.757 57.017 56.287 -0.045 0.000 0.936 529 K CB -0.113 32.359 32.500 -0.046 0.000 0.722 529 K HN 0.105 nan 8.250 nan 0.000 0.446 530 L N -0.113 121.035 121.223 -0.126 0.000 2.072 530 L HA -0.055 4.285 4.340 -0.001 0.000 0.205 530 L C 1.904 178.680 176.870 -0.156 0.000 1.079 530 L CA 1.385 56.120 54.840 -0.176 0.000 0.752 530 L CB -0.268 41.609 42.059 -0.303 0.000 0.906 530 L HN 0.200 nan 8.230 nan 0.000 0.436 531 M N -0.936 118.539 119.600 -0.208 0.000 2.159 531 M HA -0.162 4.318 4.480 -0.001 0.000 0.263 531 M C 2.246 178.448 176.300 -0.163 0.000 1.063 531 M CA 1.872 56.992 55.300 -0.300 0.000 1.110 531 M CB -1.586 30.698 32.600 -0.528 0.000 1.374 531 M HN 0.273 nan 8.290 nan 0.000 0.411 532 T N 0.927 115.432 114.554 -0.083 0.000 2.720 532 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 532 T C 1.324 176.046 174.700 0.037 0.000 1.037 532 T CA 1.665 63.759 62.100 -0.010 0.000 1.144 532 T CB -0.234 68.628 68.868 -0.011 0.000 0.864 532 T HN 0.303 nan 8.240 nan 0.000 0.444 533 D N 0.925 121.333 120.400 0.013 0.000 2.117 533 D HA 0.016 4.656 4.640 -0.001 0.000 0.198 533 D C 2.035 178.410 176.300 0.125 0.000 0.982 533 D CA 0.759 54.799 54.000 0.068 0.000 0.828 533 D CB -0.401 40.407 40.800 0.013 0.000 0.967 533 D HN 0.401 nan 8.370 nan 0.000 0.464 534 I N 0.426 121.033 120.570 0.062 0.000 2.394 534 I HA -0.170 4.000 4.170 -0.001 0.000 0.251 534 I C 2.279 178.515 176.117 0.198 0.000 1.136 534 I CA 0.632 62.003 61.300 0.119 0.000 1.425 534 I CB -0.124 37.879 38.000 0.006 0.000 1.079 534 I HN -0.061 nan 8.210 nan 0.000 0.425 535 I N -0.002 120.640 120.570 0.121 0.000 2.286 535 I HA -0.265 3.904 4.170 -0.001 0.000 0.245 535 I C 2.457 178.707 176.117 0.223 0.000 1.104 535 I CA 1.366 62.759 61.300 0.156 0.000 1.397 535 I CB -0.232 37.834 38.000 0.110 0.000 1.072 535 I HN 0.142 nan 8.210 nan 0.000 0.417 536 F N 2.009 122.005 119.950 0.076 0.000 2.102 536 F HA -0.250 4.276 4.527 -0.001 0.000 0.298 536 F C 2.430 178.263 175.800 0.055 0.000 1.105 536 F CA 1.694 59.728 58.000 0.056 0.000 1.239 536 F CB -0.158 38.856 39.000 0.023 0.000 0.991 536 F HN -0.176 nan 8.300 nan 0.000 0.474 537 K N -0.846 119.583 120.400 0.048 0.000 2.293 537 K HA -0.218 4.102 4.320 -0.001 0.000 0.204 537 K C 0.211 176.591 176.600 -0.367 0.000 1.045 537 K CA 1.368 57.560 56.287 -0.157 0.000 0.933 537 K CB -0.316 32.147 32.500 -0.062 0.000 0.736 537 K HN 0.404 nan 8.250 nan 0.000 0.463 538 Y N -0.354 119.882 120.300 -0.107 0.000 2.716 538 Y HA 0.235 4.785 4.550 -0.000 0.000 0.260 538 Y C 0.805 176.652 175.900 -0.089 0.000 1.141 538 Y CA -0.364 57.694 58.100 -0.069 0.000 1.168 538 Y CB 0.840 39.305 38.460 0.008 0.000 1.189 538 Y HN 0.076 nan 8.280 nan 0.000 0.549 539 G N 0.919 109.656 108.800 -0.104 0.000 2.356 539 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.296 539 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.296 539 G C 0.687 175.595 174.900 0.014 0.000 1.022 539 G CA 0.251 45.282 45.100 -0.114 0.000 0.961 539 G HN 0.742 nan 8.290 nan 0.000 0.510 540 G N -0.253 108.594 108.800 0.078 0.000 2.507 540 G HA2 0.705 4.664 3.960 -0.001 0.000 0.271 540 G HA3 0.705 4.664 3.960 -0.001 0.000 0.271 540 G C 0.794 175.764 174.900 0.116 0.000 1.189 540 G CA 0.649 45.815 45.100 0.111 0.000 0.859 540 G HN 1.495 nan 8.290 nan 0.000 0.542 564 W N 1.273 122.602 121.300 0.049 0.000 2.519 564 W HA 0.344 5.003 4.660 -0.001 0.000 0.266 564 W C 2.198 178.777 176.519 0.100 0.000 1.253 564 W CA 0.162 57.548 57.345 0.069 0.000 1.274 564 W CB -0.047 29.448 29.460 0.058 0.000 1.114 564 W HN 0.150 nan 8.180 nan 0.000 0.596 565 I N 0.866 121.592 120.570 0.259 0.000 2.208 565 I HA -0.385 3.784 4.170 -0.001 0.000 0.245 565 I C 1.887 178.128 176.117 0.206 0.000 1.097 565 I CA 1.387 62.813 61.300 0.210 0.000 1.363 565 I CB -0.337 37.743 38.000 0.132 0.000 1.051 565 I HN -0.015 nan 8.210 nan 0.000 0.413 566 N N -0.255 118.523 118.700 0.131 0.000 2.331 566 N HA -0.081 4.658 4.740 -0.001 0.000 0.180 566 N C 1.762 177.334 175.510 0.103 0.000 1.019 566 N CA 0.820 53.924 53.050 0.090 0.000 0.881 566 N CB -0.180 38.324 38.487 0.027 0.000 0.972 566 N HN 0.155 nan 8.380 nan 0.000 0.435 567 V N 0.245 120.251 119.914 0.153 0.000 2.323 567 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 567 V C 1.932 178.159 176.094 0.221 0.000 1.041 567 V CA 1.308 63.727 62.300 0.199 0.000 1.025 567 V CB -0.709 31.310 31.823 0.326 0.000 0.656 567 V HN 0.279 nan 8.190 nan 0.000 0.451 568 Y N 1.210 121.618 120.300 0.179 0.000 2.165 568 Y HA -0.294 4.256 4.550 -0.001 0.000 0.286 568 Y C 2.797 178.757 175.900 0.100 0.000 1.155 568 Y CA 2.302 60.486 58.100 0.139 0.000 1.164 568 Y CB -0.214 38.325 38.460 0.131 0.000 0.978 568 Y HN 0.056 nan 8.280 nan 0.000 0.513 569 R N -0.031 120.516 120.500 0.079 0.000 2.091 569 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 569 R C 2.593 178.854 176.300 -0.066 0.000 1.136 569 R CA 1.851 57.950 56.100 -0.002 0.000 0.959 569 R CB -0.516 29.831 30.300 0.079 0.000 0.856 569 R HN 0.514 nan 8.270 nan 0.000 0.437 570 S N -0.085 115.601 115.700 -0.024 0.000 2.414 570 S HA -0.044 4.425 4.470 -0.001 0.000 0.227 570 S C 2.076 176.644 174.600 -0.053 0.000 1.022 570 S CA 0.490 58.676 58.200 -0.023 0.000 0.958 570 S CB -0.224 62.982 63.200 0.009 0.000 0.797 570 S HN 0.336 nan 8.310 nan 0.000 0.493 571 L N 0.943 122.118 121.223 -0.081 0.000 1.989 571 L HA -0.099 4.240 4.340 -0.001 0.000 0.211 571 L C 2.891 179.658 176.870 -0.172 0.000 1.071 571 L CA 1.886 56.666 54.840 -0.100 0.000 0.749 571 L CB -0.537 41.467 42.059 -0.092 0.000 0.890 571 L HN 0.322 nan 8.230 nan 0.000 0.431 572 K N 0.616 120.812 120.400 -0.340 0.000 2.032 572 K HA -0.216 4.104 4.320 -0.001 0.000 0.209 572 K C 1.887 178.412 176.600 -0.125 0.000 1.048 572 K CA 1.687 57.798 56.287 -0.294 0.000 0.927 572 K CB -0.134 32.105 32.500 -0.436 0.000 0.712 572 K HN 0.292 nan 8.250 nan 0.000 0.441 573 E N -0.982 119.162 120.200 -0.093 0.000 2.150 573 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 573 E C 1.708 178.292 176.600 -0.027 0.000 0.985 573 E CA 1.510 57.887 56.400 -0.039 0.000 0.814 573 E CB 0.046 29.732 29.700 -0.024 0.000 0.752 573 E HN 0.377 nan 8.360 nan 0.000 0.466 574 T N 0.833 115.364 114.554 -0.039 0.000 2.809 574 T HA 0.003 4.353 4.350 -0.001 0.000 0.260 574 T C 1.974 176.652 174.700 -0.037 0.000 1.039 574 T CA 0.593 62.675 62.100 -0.030 0.000 1.141 574 T CB -0.020 68.832 68.868 -0.027 0.000 0.869 574 T HN 0.069 nan 8.240 nan 0.000 0.437 575 I N 0.646 121.188 120.570 -0.046 0.000 2.353 575 I HA -0.019 4.150 4.170 -0.001 0.000 0.248 575 I C 0.809 176.901 176.117 -0.042 0.000 1.119 575 I CA 0.982 62.255 61.300 -0.044 0.000 1.417 575 I CB 0.161 38.141 38.000 -0.034 0.000 1.078 575 I HN 0.134 nan 8.210 nan 0.000 0.421 576 D N -0.100 120.285 120.400 -0.024 0.000 2.552 576 D HA 0.156 4.795 4.640 -0.001 0.000 0.285 576 D C -1.798 174.524 176.300 0.037 0.000 1.206 576 D CA -1.996 52.011 54.000 0.012 0.000 0.826 576 D CB 0.730 41.540 40.800 0.017 0.000 1.179 576 D HN -0.105 nan 8.370 nan 0.000 0.508 577 P HA -0.151 nan 4.420 nan 0.000 0.215 577 P C 0.829 178.171 177.300 0.069 0.000 1.153 577 P CA 1.137 64.278 63.100 0.069 0.000 0.853 577 P CB 0.292 32.053 31.700 0.102 0.000 0.788 578 K N -1.222 119.240 120.400 0.103 0.000 2.444 578 K HA -0.017 4.302 4.320 -0.001 0.000 0.193 578 K C 0.111 176.734 176.600 0.039 0.000 1.024 578 K CA 0.296 56.608 56.287 0.041 0.000 1.077 578 K CB -0.449 32.036 32.500 -0.026 0.000 0.833 578 K HN -0.010 nan 8.250 nan 0.000 0.517 579 D N 1.063 121.495 120.400 0.052 0.000 2.699 579 D HA -0.166 4.474 4.640 -0.001 0.000 0.239 579 D C 0.474 176.801 176.300 0.045 0.000 1.136 579 D CA 0.472 54.499 54.000 0.045 0.000 0.668 579 D CB -1.212 39.610 40.800 0.035 0.000 1.060 579 D HN 0.509 nan 8.370 nan 0.000 0.429 580 I N -3.612 116.993 120.570 0.057 0.000 3.030 580 I HA 0.163 4.333 4.170 -0.001 0.000 0.270 580 I C 0.864 177.011 176.117 0.050 0.000 1.211 580 I CA -0.243 61.087 61.300 0.050 0.000 1.479 580 I CB 0.031 38.066 38.000 0.060 0.000 1.105 580 I HN 0.124 nan 8.210 nan 0.000 0.447 581 C N 3.880 123.215 119.300 0.057 0.000 2.383 581 C HA 0.241 4.700 4.460 -0.001 0.000 0.350 581 C C 0.917 175.944 174.990 0.062 0.000 1.173 581 C CA -0.368 58.685 59.018 0.058 0.000 1.645 581 C CB -1.900 25.876 27.740 0.061 0.000 2.221 581 C HN 0.667 nan 8.230 nan 0.000 0.528 582 N N 3.176 121.906 118.700 0.051 0.000 2.678 582 N HA -0.136 4.604 4.740 -0.001 0.000 0.268 582 N C -2.329 173.216 175.510 0.057 0.000 1.010 582 N CA 0.261 53.340 53.050 0.048 0.000 0.784 582 N CB -0.323 38.196 38.487 0.053 0.000 0.905 582 N HN 0.462 nan 8.380 nan 0.000 0.552 583 P HA 0.080 nan 4.420 nan 0.000 0.266 583 P C 0.176 177.506 177.300 0.051 0.000 1.195 583 P CA 0.390 63.523 63.100 0.054 0.000 0.768 583 P CB 0.664 32.387 31.700 0.038 0.000 0.838 584 R N 0.000 120.539 120.500 0.065 0.000 2.786 584 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 584 R CA 0.000 56.131 56.100 0.052 0.000 0.921 584 R CB 0.000 30.334 30.300 0.057 0.000 0.687 584 R HN 0.000 nan 8.270 nan 0.000 0.535