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 3kdo_1_E DATA FIRST_RESID 5 DATA SEQUENCE FDTIYDYYVD KGYEPSKKRD IIAVFRVTPA EGYTIEQAAG AVAAESSTGT DATA SEQUENCE WTTLYPWYEQ ERWADLSAKA YDFHDMGDGS WIVRIAYPFH AFEEANLPGL DATA SEQUENCE LASIAGNIFG MKRVKGLRLE DLYFPEKLIR EFDGPAFGIE GVRKMLEIKD DATA SEQUENCE RPIYGVVPKP KVGYSPEEFE KLAYDLLSNG ADYMXDDENL TSPWYNRFEE DATA SEQUENCE RAEIMAKIID KVENETGEKK TWFANITADL LEMEQRLEVL ADLGLKHAMV DATA SEQUENCE DVVITGWGAL RYIRDLAADY GLAIHGHRAM HAAFTRNPYH GISMFVLAKL DATA SEQUENCE YRLIGIDQLH VGTAGAGKLE GERDITLGFV DLLRESHYKP DENDVFHLEQ DATA SEQUENCE KFYSIKAAFP TSSGGLHPGN IQPVIEALGT DIVLQLGGGT LGHPDGPAAG DATA SEQUENCE ARAVRQAIDA IMQGIPLDEY AKTHKELARA LEKWGHVTPV 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.784 175.800 -0.027 0.000 0.967 5 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 5 F CB 0.000 38.989 39.000 -0.019 0.000 1.145 6 D N -0.494 119.917 120.400 0.019 0.000 2.328 6 D HA 0.295 4.936 4.640 0.001 0.000 0.221 6 D C 1.523 177.824 176.300 0.002 0.000 1.072 6 D CA 1.520 55.514 54.000 -0.009 0.000 0.850 6 D CB -0.261 40.609 40.800 0.116 0.000 0.922 6 D HN 1.621 nan 8.370 nan 0.000 0.516 7 T N -2.230 112.335 114.554 0.018 0.000 3.025 7 T HA -0.075 4.276 4.350 0.001 0.000 0.270 7 T C 2.010 176.768 174.700 0.095 0.000 1.126 7 T CA 0.741 62.879 62.100 0.063 0.000 1.105 7 T CB -0.391 68.504 68.868 0.045 0.000 0.884 7 T HN 0.566 nan 8.240 nan 0.000 0.522 8 I N -0.690 119.894 120.570 0.023 0.000 2.394 8 I HA -0.143 4.027 4.170 0.001 0.000 0.251 8 I C 1.900 178.234 176.117 0.362 0.000 1.136 8 I CA 1.331 62.695 61.300 0.106 0.000 1.425 8 I CB -0.151 37.826 38.000 -0.037 0.000 1.079 8 I HN 0.122 nan 8.210 nan 0.000 0.425 9 Y N 1.410 121.881 120.300 0.284 0.000 2.242 9 Y HA -0.217 4.333 4.550 0.001 0.000 0.291 9 Y C 2.279 178.379 175.900 0.333 0.000 1.137 9 Y CA 0.948 59.226 58.100 0.297 0.000 1.181 9 Y CB -1.037 37.519 38.460 0.159 0.000 0.989 9 Y HN 0.293 nan 8.280 nan 0.000 0.527 10 D N -1.346 119.291 120.400 0.395 0.000 2.218 10 D HA -0.218 4.422 4.640 0.001 0.000 0.204 10 D C 1.929 178.369 176.300 0.233 0.000 0.976 10 D CA 0.917 55.072 54.000 0.258 0.000 0.853 10 D CB -0.753 40.151 40.800 0.173 0.000 0.939 10 D HN 0.458 nan 8.370 nan 0.000 0.481 11 Y N 0.123 120.520 120.300 0.161 0.000 2.333 11 Y HA -0.255 4.296 4.550 0.001 0.000 0.290 11 Y C 1.188 177.008 175.900 -0.132 0.000 1.144 11 Y CA 1.352 59.447 58.100 -0.009 0.000 1.228 11 Y CB -0.307 38.115 38.460 -0.063 0.000 0.985 11 Y HN -0.008 nan 8.280 nan 0.000 0.542 12 Y N -0.726 119.628 120.300 0.090 0.000 2.490 12 Y HA 0.207 4.757 4.550 0.001 0.000 0.281 12 Y C 0.175 176.038 175.900 -0.062 0.000 1.174 12 Y CA -0.295 57.788 58.100 -0.028 0.000 1.295 12 Y CB 0.185 38.696 38.460 0.085 0.000 1.062 12 Y HN -0.219 nan 8.280 nan 0.000 0.522 13 V N 1.223 121.182 119.914 0.076 0.000 2.350 13 V HA 0.203 4.323 4.120 0.001 0.000 0.276 13 V C -0.631 175.469 176.094 0.010 0.000 1.028 13 V CA -0.526 61.833 62.300 0.100 0.000 0.860 13 V CB 1.371 33.262 31.823 0.113 0.000 0.990 13 V HN 0.054 nan 8.190 nan 0.000 0.453 14 D N 3.742 124.182 120.400 0.068 0.000 2.364 14 D HA 0.272 4.912 4.640 0.001 0.000 0.251 14 D C 0.816 177.226 176.300 0.183 0.000 1.282 14 D CA -0.469 53.563 54.000 0.052 0.000 0.927 14 D CB 1.141 41.923 40.800 -0.031 0.000 1.267 14 D HN 0.433 nan 8.370 nan 0.000 0.531 15 K N 0.479 120.966 120.400 0.144 0.000 2.442 15 K HA 0.037 4.357 4.320 0.001 0.000 0.198 15 K C 1.721 178.424 176.600 0.172 0.000 1.042 15 K CA 0.767 57.165 56.287 0.185 0.000 0.958 15 K CB 0.421 32.952 32.500 0.052 0.000 0.766 15 K HN 0.321 nan 8.250 nan 0.000 0.474 16 G N 0.324 109.201 108.800 0.128 0.000 2.551 16 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 16 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 16 G C 0.128 175.094 174.900 0.109 0.000 1.137 16 G CA -0.187 44.970 45.100 0.095 0.000 0.798 16 G HN 0.229 nan 8.290 nan 0.000 0.536 17 Y N 2.030 122.350 120.300 0.032 0.000 2.526 17 Y HA 0.323 4.874 4.550 0.001 0.000 0.330 17 Y C -0.008 175.848 175.900 -0.075 0.000 1.156 17 Y CA -0.411 57.671 58.100 -0.030 0.000 1.419 17 Y CB 0.520 38.947 38.460 -0.056 0.000 1.250 17 Y HN 0.107 nan 8.280 nan 0.000 0.540 18 E N 8.639 128.343 120.200 -0.826 0.000 2.129 18 E HA 0.264 4.614 4.350 0.001 0.000 0.268 18 E C -2.438 173.545 176.600 -1.027 0.000 0.900 18 E CA -2.293 53.699 56.400 -0.680 0.000 0.755 18 E CB 0.897 30.384 29.700 -0.356 0.000 1.117 18 E HN 0.490 nan 8.360 nan 0.000 0.410 19 P HA -0.046 nan 4.420 nan 0.000 0.269 19 P C -0.454 176.710 177.300 -0.228 0.000 1.215 19 P CA -0.237 62.608 63.100 -0.426 0.000 0.780 19 P CB 1.112 32.569 31.700 -0.404 0.000 0.898 20 S N 1.171 116.845 115.700 -0.043 0.000 2.457 20 S HA 0.163 4.633 4.470 0.001 0.000 0.289 20 S C 1.110 175.775 174.600 0.108 0.000 1.163 20 S CA -0.680 57.535 58.200 0.025 0.000 1.078 20 S CB 0.193 63.444 63.200 0.085 0.000 0.987 20 S HN 0.255 nan 8.310 nan 0.000 0.482 21 K N 2.907 123.359 120.400 0.086 0.000 2.283 21 K HA 0.017 4.337 4.320 0.001 0.000 0.202 21 K C 1.175 177.946 176.600 0.286 0.000 1.048 21 K CA 0.799 57.184 56.287 0.162 0.000 0.948 21 K CB 0.078 32.636 32.500 0.098 0.000 0.742 21 K HN 0.422 nan 8.250 nan 0.000 0.458 22 K N 0.136 120.661 120.400 0.208 0.000 2.354 22 K HA 0.098 4.419 4.320 0.001 0.000 0.194 22 K C 1.530 178.266 176.600 0.227 0.000 1.045 22 K CA 0.528 56.925 56.287 0.183 0.000 1.026 22 K CB 0.565 33.139 32.500 0.123 0.000 0.866 22 K HN 0.132 nan 8.250 nan 0.000 0.530 23 R N 0.076 120.761 120.500 0.308 0.000 2.342 23 R HA 0.152 4.492 4.340 0.001 0.000 0.204 23 R C -0.238 176.353 176.300 0.485 0.000 0.882 23 R CA -0.082 56.308 56.100 0.482 0.000 1.041 23 R CB 0.699 31.216 30.300 0.361 0.000 1.188 23 R HN -0.015 nan 8.270 nan 0.000 0.598 24 D N 1.295 121.925 120.400 0.384 0.000 2.198 24 D HA 0.280 4.920 4.640 0.001 0.000 0.245 24 D C -0.270 176.312 176.300 0.469 0.000 1.079 24 D CA -0.196 54.033 54.000 0.382 0.000 0.854 24 D CB 1.807 42.785 40.800 0.297 0.000 1.148 24 D HN -0.032 nan 8.370 nan 0.000 0.456 25 I N 2.743 123.603 120.570 0.484 0.000 2.395 25 I HA 0.254 4.424 4.170 0.001 0.000 0.289 25 I C 0.277 176.722 176.117 0.547 0.000 1.023 25 I CA -0.363 61.238 61.300 0.501 0.000 1.350 25 I CB 0.904 39.156 38.000 0.420 0.000 1.409 25 I HN 0.100 nan 8.210 nan 0.000 0.507 26 I N 5.865 126.738 120.570 0.504 0.000 2.418 26 I HA 0.475 4.646 4.170 0.001 0.000 0.287 26 I C -0.065 176.208 176.117 0.260 0.000 1.008 26 I CA -0.537 61.019 61.300 0.427 0.000 1.104 26 I CB 1.813 40.027 38.000 0.356 0.000 1.264 26 I HN 0.567 nan 8.210 nan 0.000 0.438 27 A N 6.672 129.646 122.820 0.257 0.000 2.276 27 A HA 0.706 5.027 4.320 0.001 0.000 0.316 27 A C -0.515 176.939 177.584 -0.216 0.000 1.229 27 A CA -0.474 51.516 52.037 -0.079 0.000 0.851 27 A CB 0.953 19.878 19.000 -0.126 0.000 1.165 27 A HN 0.461 nan 8.150 nan 0.000 0.513 28 V N 3.412 123.132 119.914 -0.323 0.000 2.350 28 V HA 0.407 4.528 4.120 0.001 0.000 0.276 28 V C -0.886 175.007 176.094 -0.335 0.000 1.028 28 V CA -0.047 62.115 62.300 -0.230 0.000 0.860 28 V CB 0.039 31.793 31.823 -0.115 0.000 0.990 28 V HN 0.676 nan 8.190 nan 0.000 0.453 29 F N 3.360 123.318 119.950 0.014 0.000 2.469 29 F HA 0.583 5.111 4.527 0.001 0.000 0.332 29 F C 0.499 176.341 175.800 0.069 0.000 1.103 29 F CA -0.850 57.172 58.000 0.038 0.000 0.979 29 F CB 1.723 40.721 39.000 -0.003 0.000 1.137 29 F HN 0.313 nan 8.300 nan 0.000 0.463 30 R N 2.793 123.488 120.500 0.326 0.000 2.205 30 R HA 0.582 4.923 4.340 0.001 0.000 0.342 30 R C -1.684 174.796 176.300 0.300 0.000 1.058 30 R CA -0.240 56.037 56.100 0.295 0.000 0.904 30 R CB 0.407 30.876 30.300 0.281 0.000 1.089 30 R HN 0.538 nan 8.270 nan 0.000 0.471 31 V N 4.250 124.328 119.914 0.274 0.000 2.370 31 V HA 0.275 4.395 4.120 0.001 0.000 0.283 31 V C -0.103 176.153 176.094 0.269 0.000 1.023 31 V CA -0.539 61.890 62.300 0.214 0.000 0.857 31 V CB 1.849 33.737 31.823 0.108 0.000 0.985 31 V HN 0.747 nan 8.190 nan 0.000 0.443 32 T N 7.643 122.336 114.554 0.231 0.000 2.947 32 T HA 0.329 4.680 4.350 0.001 0.000 0.337 32 T C -2.531 172.253 174.700 0.140 0.000 1.139 32 T CA -1.189 61.040 62.100 0.215 0.000 0.992 32 T CB 1.084 70.063 68.868 0.184 0.000 1.043 32 T HN 0.467 nan 8.240 nan 0.000 0.498 33 P HA 0.251 nan 4.420 nan 0.000 0.268 33 P C -0.131 177.232 177.300 0.104 0.000 1.205 33 P CA -0.337 62.815 63.100 0.087 0.000 0.771 33 P CB 0.578 32.339 31.700 0.102 0.000 0.858 34 A N 2.318 125.183 122.820 0.075 0.000 2.386 34 A HA 0.110 4.431 4.320 0.001 0.000 0.246 34 A C 0.529 178.256 177.584 0.239 0.000 1.089 34 A CA -0.190 51.917 52.037 0.118 0.000 0.790 34 A CB -0.457 18.575 19.000 0.053 0.000 1.042 34 A HN 0.536 nan 8.150 nan 0.000 0.497 35 E N -0.081 120.228 120.200 0.181 0.000 2.608 35 E HA 0.318 4.669 4.350 0.001 0.000 0.259 35 E C 1.189 177.879 176.600 0.150 0.000 0.951 35 E CA 1.770 58.255 56.400 0.141 0.000 0.945 35 E CB -0.159 29.594 29.700 0.088 0.000 0.916 35 E HN 1.694 nan 8.360 nan 0.000 0.477 36 G N 3.218 112.044 108.800 0.043 0.000 2.160 36 G HA2 -0.289 3.671 3.960 0.001 0.000 0.251 36 G HA3 -0.289 3.671 3.960 0.001 0.000 0.251 36 G C -0.617 174.088 174.900 -0.325 0.000 1.008 36 G CA 0.401 45.425 45.100 -0.126 0.000 0.724 36 G HN 0.419 nan 8.290 nan 0.000 0.514 37 Y N 0.394 120.707 120.300 0.022 0.000 2.391 37 Y HA 0.582 5.133 4.550 0.001 0.000 0.341 37 Y C 1.010 176.907 175.900 -0.005 0.000 0.965 37 Y CA -0.208 57.900 58.100 0.013 0.000 1.067 37 Y CB 1.787 40.255 38.460 0.014 0.000 1.199 37 Y HN 0.338 nan 8.280 nan 0.000 0.450 38 T N -0.902 113.716 114.554 0.106 0.000 2.788 38 T HA 0.125 4.476 4.350 0.001 0.000 0.287 38 T C 1.029 175.695 174.700 -0.057 0.000 1.007 38 T CA -0.422 61.677 62.100 -0.001 0.000 1.005 38 T CB 0.844 69.684 68.868 -0.047 0.000 1.012 38 T HN 0.614 nan 8.240 nan 0.000 0.530 39 I N 0.742 121.157 120.570 -0.258 0.000 2.315 39 I HA -0.000 4.170 4.170 0.001 0.000 0.248 39 I C 2.194 178.244 176.117 -0.111 0.000 1.117 39 I CA 1.440 62.527 61.300 -0.356 0.000 1.404 39 I CB -0.829 36.540 38.000 -1.052 0.000 1.071 39 I HN 0.783 nan 8.210 nan 0.000 0.419 40 E N 0.325 120.437 120.200 -0.147 0.000 2.085 40 E HA -0.260 4.090 4.350 0.001 0.000 0.194 40 E C 2.212 178.836 176.600 0.039 0.000 0.994 40 E CA 1.615 57.985 56.400 -0.050 0.000 0.801 40 E CB -0.333 29.273 29.700 -0.156 0.000 0.743 40 E HN 0.613 nan 8.360 nan 0.000 0.453 41 Q N -0.306 119.520 119.800 0.042 0.000 2.119 41 Q HA -0.068 4.273 4.340 0.001 0.000 0.201 41 Q C 2.177 178.187 176.000 0.016 0.000 0.972 41 Q CA 1.345 57.211 55.803 0.105 0.000 0.847 41 Q CB -0.146 28.722 28.738 0.216 0.000 0.903 41 Q HN 0.312 nan 8.270 nan 0.000 0.433 42 A N 1.011 123.815 122.820 -0.027 0.000 1.872 42 A HA 0.004 4.325 4.320 0.001 0.000 0.214 42 A C 2.305 179.798 177.584 -0.153 0.000 1.187 42 A CA 1.274 53.236 52.037 -0.126 0.000 0.614 42 A CB -0.729 18.217 19.000 -0.090 0.000 0.826 42 A HN 0.364 nan 8.150 nan 0.000 0.442 43 A N -0.241 122.541 122.820 -0.063 0.000 1.908 43 A HA 0.081 4.401 4.320 0.001 0.000 0.218 43 A C 2.400 179.947 177.584 -0.061 0.000 1.181 43 A CA 2.027 54.028 52.037 -0.060 0.000 0.627 43 A CB -1.435 17.612 19.000 0.078 0.000 0.818 43 A HN 0.725 nan 8.150 nan 0.000 0.445 44 G N -0.474 108.328 108.800 0.003 0.000 2.446 44 G HA2 -0.043 3.917 3.960 0.001 0.000 0.217 44 G HA3 -0.043 3.917 3.960 0.001 0.000 0.217 44 G C 1.778 176.570 174.900 -0.180 0.000 1.168 44 G CA 1.625 46.757 45.100 0.053 0.000 0.771 44 G HN 0.837 nan 8.290 nan 0.000 0.551 45 A N 0.005 122.517 122.820 -0.514 0.000 1.902 45 A HA 0.068 4.388 4.320 0.001 0.000 0.217 45 A C 2.620 179.846 177.584 -0.596 0.000 1.181 45 A CA 1.885 53.260 52.037 -1.103 0.000 0.623 45 A CB -0.681 17.623 19.000 -1.160 0.000 0.818 45 A HN 0.276 nan 8.150 nan 0.000 0.443 46 V N -0.182 119.476 119.914 -0.426 0.000 2.343 46 V HA -0.259 3.861 4.120 0.001 0.000 0.247 46 V C 3.043 178.963 176.094 -0.290 0.000 1.051 46 V CA 2.008 64.070 62.300 -0.395 0.000 1.036 46 V CB -1.180 30.358 31.823 -0.474 0.000 0.654 46 V HN 0.626 nan 8.190 nan 0.000 0.451 47 A N -0.234 122.450 122.820 -0.227 0.000 1.898 47 A HA -0.049 4.272 4.320 0.001 0.000 0.216 47 A C 2.408 179.794 177.584 -0.331 0.000 1.181 47 A CA 1.975 53.917 52.037 -0.157 0.000 0.620 47 A CB -0.729 18.242 19.000 -0.048 0.000 0.819 47 A HN 0.548 nan 8.150 nan 0.000 0.442 48 A N -0.318 122.121 122.820 -0.635 0.000 1.855 48 A HA -0.121 4.200 4.320 0.001 0.000 0.215 48 A C 1.845 179.223 177.584 -0.343 0.000 1.191 48 A CA 1.558 52.996 52.037 -0.999 0.000 0.613 48 A CB -0.474 18.115 19.000 -0.685 0.000 0.829 48 A HN 0.410 nan 8.150 nan 0.000 0.442 49 E N 0.543 120.622 120.200 -0.201 0.000 2.409 49 E HA -0.093 4.257 4.350 0.001 0.000 0.198 49 E C 1.844 178.411 176.600 -0.054 0.000 1.024 49 E CA 1.192 57.546 56.400 -0.078 0.000 0.861 49 E CB -0.250 29.393 29.700 -0.095 0.000 0.788 49 E HN 0.741 nan 8.360 nan 0.000 0.521 50 S N -1.180 114.492 115.700 -0.046 0.000 2.540 50 S HA 0.121 4.591 4.470 0.001 0.000 0.218 50 S C 1.484 176.202 174.600 0.196 0.000 0.977 50 S CA 0.365 58.610 58.200 0.076 0.000 0.918 50 S CB 0.349 63.634 63.200 0.142 0.000 0.806 50 S HN 0.164 nan 8.310 nan 0.000 0.496 51 S N 1.726 117.491 115.700 0.108 0.000 3.799 51 S HA 0.201 4.671 4.470 0.001 0.000 0.170 51 S C 1.372 176.011 174.600 0.065 0.000 0.840 51 S CA 0.604 58.877 58.200 0.122 0.000 1.025 51 S CB -0.218 63.069 63.200 0.144 0.000 1.455 51 S HN 0.512 nan 8.310 nan 0.000 0.804 52 T N -0.989 113.627 114.554 0.104 0.000 2.975 52 T HA 0.496 4.847 4.350 0.001 0.000 0.261 52 T C 0.792 175.668 174.700 0.294 0.000 0.984 52 T CA 0.333 62.547 62.100 0.190 0.000 0.911 52 T CB 0.144 69.121 68.868 0.182 0.000 1.127 52 T HN 0.725 nan 8.240 nan 0.000 0.514 53 G N 0.171 109.086 108.800 0.191 0.000 2.491 53 G HA2 0.579 4.539 3.960 0.001 0.000 0.327 53 G HA3 0.579 4.539 3.960 0.001 0.000 0.327 53 G C -0.840 174.135 174.900 0.125 0.000 1.189 53 G CA -0.297 44.931 45.100 0.214 0.000 0.956 53 G HN 0.274 nan 8.290 nan 0.000 0.491 54 T N -1.474 113.140 114.554 0.099 0.000 2.604 54 T HA 0.414 4.765 4.350 0.001 0.000 0.267 54 T C 0.326 175.029 174.700 0.006 0.000 0.923 54 T CA -0.440 61.720 62.100 0.100 0.000 1.077 54 T CB 0.757 69.632 68.868 0.011 0.000 1.392 54 T HN 0.687 nan 8.240 nan 0.000 0.531 55 W N 1.015 122.302 121.300 -0.023 0.000 3.180 55 W HA 0.365 5.026 4.660 0.001 0.000 0.254 55 W C 0.178 176.565 176.519 -0.219 0.000 1.318 55 W CA 0.174 57.435 57.345 -0.140 0.000 1.608 55 W CB -0.945 28.532 29.460 0.027 0.000 1.124 55 W HN 0.537 nan 8.180 nan 0.000 0.694 56 T N 1.166 115.262 114.554 -0.763 0.000 2.816 56 T HA 0.322 4.673 4.350 0.001 0.000 0.299 56 T C -0.169 174.263 174.700 -0.446 0.000 1.230 56 T CA -0.122 61.549 62.100 -0.716 0.000 1.007 56 T CB 1.407 69.499 68.868 -1.293 0.000 1.289 56 T HN -0.021 nan 8.240 nan 0.000 0.508 57 T N 1.986 116.357 114.554 -0.305 0.000 2.930 57 T HA 0.581 4.932 4.350 0.001 0.000 0.306 57 T C 0.103 174.692 174.700 -0.185 0.000 1.045 57 T CA -0.545 61.431 62.100 -0.206 0.000 1.134 57 T CB -0.033 68.747 68.868 -0.147 0.000 0.961 57 T HN 0.463 nan 8.240 nan 0.000 0.545 58 L N 1.830 122.970 121.223 -0.137 0.000 2.330 58 L HA 0.446 4.787 4.340 0.001 0.000 0.271 58 L C -0.170 176.727 176.870 0.044 0.000 1.013 58 L CA -1.556 53.270 54.840 -0.023 0.000 0.816 58 L CB 1.371 43.437 42.059 0.012 0.000 1.287 58 L HN 0.689 nan 8.230 nan 0.000 0.435 59 Y N 3.845 124.178 120.300 0.054 0.000 2.442 59 Y HA 0.138 4.689 4.550 0.001 0.000 0.330 59 Y C -1.782 174.180 175.900 0.102 0.000 1.129 59 Y CA -1.386 56.751 58.100 0.061 0.000 1.365 59 Y CB 0.828 39.338 38.460 0.083 0.000 1.233 59 Y HN 0.269 nan 8.280 nan 0.000 0.529 60 P HA -0.023 nan 4.420 nan 0.000 0.271 60 P C -0.399 176.790 177.300 -0.185 0.000 1.380 60 P CA 0.280 63.061 63.100 -0.532 0.000 0.992 60 P CB -0.329 31.013 31.700 -0.596 0.000 1.230 61 W N 4.238 125.430 121.300 -0.180 0.000 2.499 61 W HA 0.208 4.869 4.660 0.001 0.000 0.362 61 W C -1.230 175.314 176.519 0.041 0.000 0.945 61 W CA -0.743 56.622 57.345 0.034 0.000 1.721 61 W CB -0.784 28.779 29.460 0.171 0.000 1.156 61 W HN 0.154 nan 8.180 nan 0.000 0.547 62 Y N -1.081 118.890 120.300 -0.549 0.000 2.605 62 Y HA 0.615 5.165 4.550 0.001 0.000 0.343 62 Y C -0.124 175.589 175.900 -0.312 0.000 1.036 62 Y CA -2.098 55.647 58.100 -0.592 0.000 1.065 62 Y CB 0.481 38.342 38.460 -1.000 0.000 1.288 62 Y HN -0.086 nan 8.280 nan 0.000 0.481 63 E N 1.796 121.965 120.200 -0.051 0.000 2.081 63 E HA -0.040 4.311 4.350 0.001 0.000 0.270 63 E C 0.571 177.208 176.600 0.061 0.000 1.180 63 E CA -0.036 56.343 56.400 -0.035 0.000 0.926 63 E CB 0.926 30.631 29.700 0.008 0.000 1.035 63 E HN 0.815 nan 8.360 nan 0.000 0.418 64 Q N 3.666 123.428 119.800 -0.063 0.000 2.133 64 Q HA -0.303 4.038 4.340 0.001 0.000 0.208 64 Q C 2.021 178.152 176.000 0.219 0.000 0.991 64 Q CA 2.854 58.697 55.803 0.067 0.000 0.867 64 Q CB -0.099 28.592 28.738 -0.078 0.000 0.911 64 Q HN 0.738 nan 8.270 nan 0.000 0.417 65 E N 0.655 120.918 120.200 0.104 0.000 2.051 65 E HA -0.233 4.117 4.350 0.001 0.000 0.192 65 E C 1.891 178.547 176.600 0.093 0.000 0.991 65 E CA 1.495 57.947 56.400 0.087 0.000 0.799 65 E CB -0.749 28.974 29.700 0.038 0.000 0.748 65 E HN 0.508 nan 8.360 nan 0.000 0.449 66 R N -1.509 119.050 120.500 0.099 0.000 2.075 66 R HA -0.113 4.227 4.340 0.001 0.000 0.232 66 R C 2.324 178.676 176.300 0.087 0.000 1.126 66 R CA 1.728 57.873 56.100 0.075 0.000 0.963 66 R CB -0.499 29.838 30.300 0.062 0.000 0.858 66 R HN 0.662 nan 8.270 nan 0.000 0.435 67 W N 1.137 122.415 121.300 -0.036 0.000 2.333 67 W HA -0.213 4.447 4.660 0.001 0.000 0.316 67 W C 2.048 178.530 176.519 -0.062 0.000 1.215 67 W CA 2.376 59.671 57.345 -0.082 0.000 1.278 67 W CB -0.640 28.778 29.460 -0.070 0.000 1.154 67 W HN 0.180 nan 8.180 nan 0.000 0.486 68 A N -0.004 122.732 122.820 -0.140 0.000 1.908 68 A HA -0.297 4.023 4.320 0.001 0.000 0.218 68 A C 1.696 179.107 177.584 -0.289 0.000 1.181 68 A CA 2.374 54.182 52.037 -0.383 0.000 0.627 68 A CB -1.401 17.588 19.000 -0.019 0.000 0.818 68 A HN 0.481 nan 8.150 nan 0.000 0.445 69 D N -0.798 119.514 120.400 -0.145 0.000 2.309 69 D HA -0.051 4.589 4.640 0.001 0.000 0.212 69 D C 1.462 177.650 176.300 -0.187 0.000 0.968 69 D CA 0.922 54.861 54.000 -0.101 0.000 0.882 69 D CB -0.088 40.715 40.800 0.004 0.000 0.918 69 D HN 0.467 nan 8.370 nan 0.000 0.503 70 L N -0.647 120.411 121.223 -0.275 0.000 2.664 70 L HA 0.254 4.595 4.340 0.001 0.000 0.233 70 L C 0.601 177.271 176.870 -0.333 0.000 1.113 70 L CA -0.228 54.405 54.840 -0.346 0.000 0.896 70 L CB 0.324 42.199 42.059 -0.306 0.000 1.163 70 L HN -0.163 nan 8.230 nan 0.000 0.497 71 S N 1.126 116.587 115.700 -0.397 0.000 2.572 71 S HA 0.458 4.928 4.470 0.001 0.000 0.279 71 S C 0.475 174.943 174.600 -0.220 0.000 1.341 71 S CA -0.489 57.534 58.200 -0.294 0.000 1.043 71 S CB 1.395 64.275 63.200 -0.532 0.000 0.887 71 S HN 0.273 nan 8.310 nan 0.000 0.516 72 A N 2.650 125.415 122.820 -0.092 0.000 2.287 72 A HA 0.646 4.966 4.320 0.001 0.000 0.273 72 A C -0.349 177.097 177.584 -0.229 0.000 1.091 72 A CA -0.544 51.315 52.037 -0.297 0.000 0.817 72 A CB 0.310 18.937 19.000 -0.621 0.000 1.069 72 A HN 0.668 nan 8.150 nan 0.000 0.492 73 K N 0.532 120.742 120.400 -0.317 0.000 2.463 73 K HA 0.568 4.889 4.320 0.001 0.000 0.255 73 K C -0.592 176.012 176.600 0.006 0.000 0.942 73 K CA -0.010 56.160 56.287 -0.195 0.000 0.814 73 K CB 1.967 34.227 32.500 -0.400 0.000 1.122 73 K HN 0.753 nan 8.250 nan 0.000 0.425 74 A N 3.228 126.081 122.820 0.055 0.000 2.376 74 A HA 0.259 4.579 4.320 0.001 0.000 0.298 74 A C -0.084 177.638 177.584 0.231 0.000 1.271 74 A CA -0.116 51.959 52.037 0.062 0.000 0.926 74 A CB -0.612 18.417 19.000 0.048 0.000 1.141 74 A HN 0.946 nan 8.150 nan 0.000 0.539 75 Y N 0.211 120.576 120.300 0.108 0.000 2.430 75 Y HA 0.496 5.046 4.550 0.001 0.000 0.254 75 Y C 0.028 176.083 175.900 0.258 0.000 1.088 75 Y CA -0.325 57.906 58.100 0.219 0.000 1.267 75 Y CB 0.318 38.919 38.460 0.235 0.000 1.204 75 Y HN 0.457 nan 8.280 nan 0.000 0.515 76 D N 0.439 120.566 120.400 -0.455 0.000 2.787 76 D HA 0.453 5.094 4.640 0.001 0.000 0.246 76 D C -1.857 174.322 176.300 -0.201 0.000 1.150 76 D CA -0.384 53.483 54.000 -0.221 0.000 0.864 76 D CB 1.326 41.843 40.800 -0.472 0.000 1.481 76 D HN 0.070 nan 8.370 nan 0.000 0.509 77 F N 2.110 122.078 119.950 0.030 0.000 2.536 77 F HA 0.324 4.851 4.527 0.001 0.000 0.322 77 F C -0.572 175.417 175.800 0.314 0.000 1.144 77 F CA -1.023 57.083 58.000 0.177 0.000 0.924 77 F CB 1.859 40.942 39.000 0.137 0.000 1.181 77 F HN 0.363 nan 8.300 nan 0.000 0.438 78 H N 2.116 121.391 119.070 0.342 0.000 2.646 78 H HA 0.260 4.817 4.556 0.001 0.000 0.328 78 H C -1.131 174.188 175.328 -0.014 0.000 0.998 78 H CA -0.876 55.258 56.048 0.143 0.000 1.225 78 H CB 1.110 30.853 29.762 -0.032 0.000 1.457 78 H HN 0.474 nan 8.280 nan 0.000 0.505 79 D N 5.043 124.945 120.400 -0.829 0.000 2.358 79 D HA -0.021 4.620 4.640 0.001 0.000 0.258 79 D C 0.773 176.403 176.300 -1.117 0.000 1.223 79 D CA -0.116 53.028 54.000 -1.427 0.000 0.886 79 D CB 0.746 40.789 40.800 -1.262 0.000 1.120 79 D HN 0.565 nan 8.370 nan 0.000 0.482 80 M N 2.483 121.594 119.600 -0.815 0.000 2.506 80 M HA 0.130 4.611 4.480 0.001 0.000 0.260 80 M C 1.718 177.836 176.300 -0.304 0.000 1.104 80 M CA 0.858 55.906 55.300 -0.421 0.000 1.112 80 M CB -0.780 31.725 32.600 -0.159 0.000 1.401 80 M HN 0.730 nan 8.290 nan 0.000 0.473 81 G N 1.352 109.919 108.800 -0.387 0.000 2.225 81 G HA2 -0.261 3.700 3.960 0.001 0.000 0.254 81 G HA3 -0.261 3.700 3.960 0.001 0.000 0.254 81 G C 0.342 175.173 174.900 -0.114 0.000 0.988 81 G CA 0.675 45.635 45.100 -0.234 0.000 0.625 81 G HN 0.558 nan 8.290 nan 0.000 0.527 82 D N -0.173 120.186 120.400 -0.068 0.000 2.363 82 D HA 0.431 5.071 4.640 0.001 0.000 0.214 82 D C 1.726 178.038 176.300 0.020 0.000 1.093 82 D CA 0.692 54.701 54.000 0.014 0.000 0.837 82 D CB -0.282 40.584 40.800 0.111 0.000 0.948 82 D HN 1.610 nan 8.370 nan 0.000 0.507 83 G N -0.035 108.770 108.800 0.008 0.000 2.201 83 G HA2 -0.210 3.750 3.960 0.001 0.000 0.212 83 G HA3 -0.210 3.750 3.960 0.001 0.000 0.212 83 G C 0.316 175.330 174.900 0.190 0.000 0.994 83 G CA 0.199 45.353 45.100 0.091 0.000 0.644 83 G HN 0.828 nan 8.290 nan 0.000 0.508 84 S N -1.045 114.745 115.700 0.150 0.000 2.704 84 S HA 0.874 5.344 4.470 0.001 0.000 0.305 84 S C -0.834 173.852 174.600 0.144 0.000 1.107 84 S CA -0.657 57.716 58.200 0.289 0.000 0.993 84 S CB 2.109 65.530 63.200 0.367 0.000 1.110 84 S HN 0.664 nan 8.310 nan 0.000 0.534 85 W N -0.220 121.145 121.300 0.108 0.000 3.033 85 W HA 0.580 5.240 4.660 0.001 0.000 0.336 85 W C -0.996 175.562 176.519 0.065 0.000 1.173 85 W CA -0.945 56.439 57.345 0.065 0.000 1.185 85 W CB 1.264 30.776 29.460 0.086 0.000 1.425 85 W HN 0.467 nan 8.180 nan 0.000 0.536 86 I N 3.568 124.290 120.570 0.254 0.000 2.304 86 I HA 0.310 4.481 4.170 0.001 0.000 0.291 86 I C -0.366 175.786 176.117 0.058 0.000 1.018 86 I CA -0.879 60.507 61.300 0.142 0.000 1.260 86 I CB 0.318 38.344 38.000 0.043 0.000 1.390 86 I HN 0.056 nan 8.210 nan 0.000 0.475 87 V N 7.726 127.620 119.914 -0.033 0.000 2.448 87 V HA 0.455 4.575 4.120 0.001 0.000 0.295 87 V C 0.290 176.251 176.094 -0.222 0.000 1.025 87 V CA -0.896 61.222 62.300 -0.302 0.000 0.859 87 V CB 2.060 33.635 31.823 -0.414 0.000 0.988 87 V HN 0.613 nan 8.190 nan 0.000 0.431 88 R N 5.180 125.434 120.500 -0.410 0.000 2.312 88 R HA 0.692 5.032 4.340 0.001 0.000 0.311 88 R C -1.096 175.022 176.300 -0.302 0.000 1.004 88 R CA -0.468 55.413 56.100 -0.365 0.000 0.902 88 R CB 1.647 31.587 30.300 -0.601 0.000 1.073 88 R HN 0.584 nan 8.270 nan 0.000 0.457 89 I N 1.839 122.453 120.570 0.072 0.000 2.436 89 I HA 0.381 4.551 4.170 0.001 0.000 0.289 89 I C -0.132 176.112 176.117 0.213 0.000 1.010 89 I CA -0.905 60.473 61.300 0.131 0.000 1.098 89 I CB 2.073 40.142 38.000 0.115 0.000 1.266 89 I HN 0.602 nan 8.210 nan 0.000 0.434 90 A N 6.531 129.432 122.820 0.136 0.000 2.301 90 A HA 0.759 5.080 4.320 0.001 0.000 0.312 90 A C -1.404 176.070 177.584 -0.184 0.000 1.182 90 A CA -0.221 51.885 52.037 0.116 0.000 0.826 90 A CB 0.382 19.434 19.000 0.087 0.000 1.134 90 A HN 0.639 nan 8.150 nan 0.000 0.501 91 Y N 2.631 123.047 120.300 0.194 0.000 2.391 91 Y HA 0.454 5.005 4.550 0.001 0.000 0.341 91 Y C -2.210 173.793 175.900 0.172 0.000 0.965 91 Y CA -2.533 55.672 58.100 0.176 0.000 1.067 91 Y CB 2.190 40.885 38.460 0.391 0.000 1.199 91 Y HN 0.507 nan 8.280 nan 0.000 0.450 92 P HA -0.014 nan 4.420 nan 0.000 0.276 92 P C 0.470 177.781 177.300 0.019 0.000 1.230 92 P CA -0.198 62.899 63.100 -0.005 0.000 0.776 92 P CB 0.642 32.161 31.700 -0.300 0.000 0.888 93 F N 3.453 123.530 119.950 0.211 0.000 2.216 93 F HA -0.186 4.342 4.527 0.001 0.000 0.300 93 F C 1.895 177.805 175.800 0.183 0.000 1.085 93 F CA 1.285 59.435 58.000 0.250 0.000 1.326 93 F CB -1.820 37.287 39.000 0.179 0.000 1.027 93 F HN 0.428 nan 8.300 nan 0.000 0.497 94 H N -0.230 118.476 119.070 -0.607 0.000 2.553 94 H HA 0.450 5.007 4.556 0.001 0.000 0.269 94 H C 1.599 176.793 175.328 -0.223 0.000 1.011 94 H CA 0.591 56.431 56.048 -0.347 0.000 1.150 94 H CB -0.668 28.767 29.762 -0.545 0.000 1.339 94 H HN 0.449 nan 8.280 nan 0.000 0.604 95 A N 0.562 123.029 122.820 -0.589 0.000 2.123 95 A HA 0.201 4.522 4.320 0.001 0.000 0.214 95 A C 0.158 177.335 177.584 -0.679 0.000 1.152 95 A CA -0.048 51.554 52.037 -0.724 0.000 0.728 95 A CB -0.131 18.294 19.000 -0.958 0.000 0.814 95 A HN 0.198 nan 8.150 nan 0.000 0.464 96 F N -0.357 119.571 119.950 -0.036 0.000 2.507 96 F HA 0.439 4.967 4.527 0.001 0.000 0.327 96 F C 0.418 176.220 175.800 0.003 0.000 1.068 96 F CA -1.278 56.711 58.000 -0.018 0.000 0.965 96 F CB 0.921 39.901 39.000 -0.033 0.000 1.192 96 F HN 0.113 nan 8.300 nan 0.000 0.476 97 E N 1.683 121.987 120.200 0.173 0.000 2.414 97 E HA 0.024 4.374 4.350 0.001 0.000 0.263 97 E C -0.585 176.054 176.600 0.066 0.000 1.000 97 E CA -0.313 56.143 56.400 0.093 0.000 0.914 97 E CB 0.526 30.260 29.700 0.056 0.000 0.948 97 E HN 0.617 nan 8.360 nan 0.000 0.444 98 E N 2.355 122.577 120.200 0.038 0.000 2.413 98 E HA 0.126 4.477 4.350 0.001 0.000 0.263 98 E C 0.153 176.698 176.600 -0.092 0.000 1.015 98 E CA 0.622 57.007 56.400 -0.024 0.000 0.916 98 E CB 0.552 30.239 29.700 -0.022 0.000 0.947 98 E HN 0.717 nan 8.360 nan 0.000 0.440 99 A N 3.619 126.327 122.820 -0.187 0.000 2.745 99 A HA -0.220 4.100 4.320 0.001 0.000 0.296 99 A C 0.043 177.512 177.584 -0.190 0.000 1.500 99 A CA 0.920 52.798 52.037 -0.265 0.000 0.766 99 A CB -1.669 17.200 19.000 -0.218 0.000 1.030 99 A HN 0.506 nan 8.150 nan 0.000 0.489 100 N N -0.446 118.161 118.700 -0.156 0.000 2.750 100 N HA 0.372 5.112 4.740 0.001 0.000 0.253 100 N C 0.434 175.888 175.510 -0.093 0.000 1.408 100 N CA -0.167 52.830 53.050 -0.088 0.000 0.780 100 N CB 0.495 38.961 38.487 -0.034 0.000 1.191 100 N HN 0.380 nan 8.380 nan 0.000 0.511 101 L N 4.110 125.285 121.223 -0.081 0.000 2.012 101 L HA 0.162 4.502 4.340 0.001 0.000 0.210 101 L C -0.980 175.817 176.870 -0.122 0.000 1.073 101 L CA 2.154 56.956 54.840 -0.063 0.000 0.748 101 L CB -0.960 41.146 42.059 0.079 0.000 0.891 101 L HN 0.319 nan 8.230 nan 0.000 0.431 102 P HA -0.128 nan 4.420 nan 0.000 0.216 102 P C 1.615 178.885 177.300 -0.050 0.000 1.153 102 P CA 1.901 64.978 63.100 -0.038 0.000 0.858 102 P CB -0.411 31.326 31.700 0.060 0.000 0.789 103 G N -0.412 108.372 108.800 -0.028 0.000 2.408 103 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 103 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 103 G C 1.455 176.348 174.900 -0.011 0.000 1.150 103 G CA 0.458 45.561 45.100 0.005 0.000 0.776 103 G HN 0.234 nan 8.290 nan 0.000 0.542 104 L N 0.481 121.632 121.223 -0.121 0.000 2.027 104 L HA 0.126 4.466 4.340 0.001 0.000 0.206 104 L C 2.667 179.393 176.870 -0.240 0.000 1.074 104 L CA 1.377 56.036 54.840 -0.303 0.000 0.745 104 L CB -0.413 41.361 42.059 -0.475 0.000 0.898 104 L HN 0.184 nan 8.230 nan 0.000 0.433 105 L N -0.370 120.715 121.223 -0.231 0.000 2.083 105 L HA -0.187 4.153 4.340 0.001 0.000 0.209 105 L C 2.692 179.499 176.870 -0.106 0.000 1.083 105 L CA 1.092 55.793 54.840 -0.231 0.000 0.752 105 L CB -1.028 40.788 42.059 -0.405 0.000 0.899 105 L HN 0.411 nan 8.230 nan 0.000 0.433 106 A N -1.091 121.694 122.820 -0.058 0.000 1.978 106 A HA -0.226 4.094 4.320 0.001 0.000 0.220 106 A C 2.547 180.142 177.584 0.018 0.000 1.170 106 A CA 2.219 54.258 52.037 0.004 0.000 0.636 106 A CB -0.436 18.579 19.000 0.026 0.000 0.810 106 A HN 0.382 nan 8.150 nan 0.000 0.448 107 S N -1.522 114.189 115.700 0.018 0.000 2.412 107 S HA 0.060 4.530 4.470 0.001 0.000 0.223 107 S C 1.556 176.158 174.600 0.003 0.000 1.048 107 S CA 0.849 59.084 58.200 0.058 0.000 0.954 107 S CB -0.196 63.123 63.200 0.198 0.000 0.840 107 S HN 0.337 nan 8.310 nan 0.000 0.503 108 I N 1.088 121.612 120.570 -0.076 0.000 3.728 108 I HA 0.438 4.609 4.170 0.001 0.000 0.307 108 I C 0.807 176.935 176.117 0.019 0.000 1.276 108 I CA 0.228 61.476 61.300 -0.086 0.000 1.285 108 I CB 0.489 38.327 38.000 -0.271 0.000 1.038 108 I HN 0.334 nan 8.210 nan 0.000 0.445 109 A N -1.006 121.810 122.820 -0.006 0.000 2.709 109 A HA 0.732 5.052 4.320 0.001 0.000 0.241 109 A C 0.699 178.395 177.584 0.186 0.000 0.879 109 A CA 0.137 52.241 52.037 0.112 0.000 1.120 109 A CB -0.770 18.342 19.000 0.186 0.000 1.226 109 A HN 0.305 nan 8.150 nan 0.000 0.468 110 G N 0.111 108.925 108.800 0.024 0.000 3.434 110 G HA2 0.262 4.223 3.960 0.001 0.000 0.197 110 G HA3 0.262 4.223 3.960 0.001 0.000 0.197 110 G C 0.745 175.686 174.900 0.067 0.000 1.559 110 G CA 0.279 45.427 45.100 0.081 0.000 0.852 110 G HN 0.181 nan 8.290 nan 0.000 0.682 111 N N 1.275 119.992 118.700 0.028 0.000 2.184 111 N HA -0.166 4.575 4.740 0.001 0.000 0.190 111 N C 2.369 177.861 175.510 -0.031 0.000 1.011 111 N CA 1.499 54.565 53.050 0.026 0.000 0.867 111 N CB -0.528 37.972 38.487 0.022 0.000 0.993 111 N HN 0.615 nan 8.380 nan 0.000 0.433 112 I N -2.413 118.053 120.570 -0.173 0.000 2.315 112 I HA -0.249 3.922 4.170 0.001 0.000 0.251 112 I C 1.403 177.369 176.117 -0.252 0.000 1.125 112 I CA 1.482 62.600 61.300 -0.303 0.000 1.392 112 I CB -0.846 36.843 38.000 -0.518 0.000 1.065 112 I HN -0.185 nan 8.210 nan 0.000 0.424 113 F N 2.384 122.317 119.950 -0.029 0.000 2.408 113 F HA 0.033 4.560 4.527 0.001 0.000 0.300 113 F C 2.456 178.326 175.800 0.117 0.000 1.090 113 F CA 1.283 59.301 58.000 0.030 0.000 1.427 113 F CB -0.716 38.284 39.000 0.001 0.000 1.070 113 F HN 0.180 nan 8.300 nan 0.000 0.549 114 G N -1.005 107.913 108.800 0.196 0.000 3.233 114 G HA2 0.184 4.144 3.960 0.001 0.000 0.234 114 G HA3 0.184 4.144 3.960 0.001 0.000 0.234 114 G C 0.584 175.515 174.900 0.052 0.000 1.137 114 G CA -0.341 44.838 45.100 0.133 0.000 0.763 114 G HN 0.053 nan 8.290 nan 0.000 0.549 115 M N 0.911 120.517 119.600 0.010 0.000 2.217 115 M HA 0.158 4.639 4.480 0.001 0.000 0.352 115 M C 1.081 177.348 176.300 -0.055 0.000 1.376 115 M CA 0.159 55.431 55.300 -0.047 0.000 1.107 115 M CB 1.285 33.816 32.600 -0.114 0.000 1.723 115 M HN 0.000 nan 8.290 nan 0.000 0.461 116 K N 1.626 121.988 120.400 -0.064 0.000 2.281 116 K HA -0.168 4.152 4.320 0.001 0.000 0.203 116 K C 1.747 178.261 176.600 -0.143 0.000 1.046 116 K CA 1.197 57.442 56.287 -0.071 0.000 0.938 116 K CB -0.075 32.392 32.500 -0.054 0.000 0.737 116 K HN 0.492 nan 8.250 nan 0.000 0.458 117 R N 1.092 121.456 120.500 -0.228 0.000 2.235 117 R HA -0.048 4.292 4.340 0.001 0.000 0.213 117 R C 0.166 176.297 176.300 -0.282 0.000 1.059 117 R CA 0.478 56.322 56.100 -0.427 0.000 0.997 117 R CB 0.319 30.354 30.300 -0.443 0.000 0.884 117 R HN 0.053 nan 8.270 nan 0.000 0.462 118 V N -1.935 117.893 119.914 -0.143 0.000 2.495 118 V HA 0.355 4.476 4.120 0.001 0.000 0.298 118 V C 0.530 176.628 176.094 0.007 0.000 1.031 118 V CA -0.979 61.291 62.300 -0.051 0.000 0.871 118 V CB 1.996 33.802 31.823 -0.028 0.000 0.988 118 V HN 0.010 nan 8.190 nan 0.000 0.432 119 K N 3.414 123.835 120.400 0.035 0.000 2.217 119 K HA 0.324 4.645 4.320 0.001 0.000 0.202 119 K C 0.725 177.360 176.600 0.059 0.000 1.051 119 K CA 1.275 57.583 56.287 0.033 0.000 0.952 119 K CB 0.065 32.587 32.500 0.035 0.000 0.736 119 K HN 1.129 nan 8.250 nan 0.000 0.453 120 G N 0.336 109.228 108.800 0.154 0.000 2.732 120 G HA2 0.481 4.441 3.960 0.001 0.000 0.296 120 G HA3 0.481 4.441 3.960 0.001 0.000 0.296 120 G C -2.422 172.704 174.900 0.377 0.000 1.448 120 G CA -0.718 44.584 45.100 0.336 0.000 0.911 120 G HN 0.052 nan 8.290 nan 0.000 0.528 121 L N 1.019 122.554 121.223 0.521 0.000 2.476 121 L HA 0.781 5.121 4.340 0.001 0.000 0.269 121 L C -0.831 176.244 176.870 0.342 0.000 0.965 121 L CA -0.798 54.222 54.840 0.300 0.000 0.845 121 L CB 1.915 44.039 42.059 0.107 0.000 1.259 121 L HN 0.503 nan 8.230 nan 0.000 0.403 122 R N 4.633 125.360 120.500 0.377 0.000 2.388 122 R HA 0.415 4.755 4.340 0.001 0.000 0.314 122 R C -1.450 175.090 176.300 0.400 0.000 0.959 122 R CA -0.926 55.383 56.100 0.347 0.000 0.851 122 R CB 1.476 31.917 30.300 0.235 0.000 1.168 122 R HN 0.691 nan 8.270 nan 0.000 0.472 123 L N 5.283 126.763 121.223 0.428 0.000 2.485 123 L HA 0.117 4.458 4.340 0.001 0.000 0.279 123 L C 1.112 178.016 176.870 0.056 0.000 1.124 123 L CA 0.737 55.658 54.840 0.134 0.000 0.888 123 L CB 0.546 42.711 42.059 0.176 0.000 1.217 123 L HN 0.548 nan 8.230 nan 0.000 0.464 124 E N 2.265 122.457 120.200 -0.013 0.000 2.122 124 E HA 0.049 4.400 4.350 0.001 0.000 0.190 124 E C -0.028 176.594 176.600 0.037 0.000 0.977 124 E CA 0.525 56.939 56.400 0.024 0.000 0.820 124 E CB 0.328 30.048 29.700 0.033 0.000 0.770 124 E HN 0.700 nan 8.360 nan 0.000 0.462 125 D N -0.982 119.395 120.400 -0.039 0.000 2.622 125 D HA 0.350 4.991 4.640 0.001 0.000 0.255 125 D C -1.923 174.323 176.300 -0.089 0.000 1.246 125 D CA -0.707 53.309 54.000 0.027 0.000 0.795 125 D CB 1.620 42.444 40.800 0.040 0.000 1.369 125 D HN -0.106 nan 8.370 nan 0.000 0.425 126 L N 3.056 124.220 121.223 -0.098 0.000 2.491 126 L HA 0.438 4.779 4.340 0.001 0.000 0.267 126 L C -1.904 174.774 176.870 -0.320 0.000 0.971 126 L CA -0.642 54.043 54.840 -0.258 0.000 0.857 126 L CB 1.247 43.038 42.059 -0.446 0.000 1.226 126 L HN 0.429 nan 8.230 nan 0.000 0.408 127 Y N 5.247 125.416 120.300 -0.219 0.000 2.313 127 Y HA 0.672 5.222 4.550 0.001 0.000 0.332 127 Y C -1.372 174.529 175.900 0.002 0.000 1.071 127 Y CA -0.382 57.639 58.100 -0.132 0.000 1.169 127 Y CB 0.797 39.273 38.460 0.026 0.000 1.192 127 Y HN 0.442 nan 8.280 nan 0.000 0.487 128 F N 7.861 127.315 119.950 -0.827 0.000 2.444 128 F HA 0.455 4.982 4.527 0.001 0.000 0.342 128 F C -2.146 173.109 175.800 -0.909 0.000 1.121 128 F CA -3.520 54.089 58.000 -0.652 0.000 0.997 128 F CB 1.171 39.942 39.000 -0.381 0.000 1.130 128 F HN 0.435 nan 8.300 nan 0.000 0.454 129 P HA 0.019 nan 4.420 nan 0.000 0.272 129 P C 0.787 178.024 177.300 -0.105 0.000 1.240 129 P CA -0.054 62.979 63.100 -0.110 0.000 0.791 129 P CB 1.056 32.807 31.700 0.085 0.000 0.978 130 E N 1.234 121.407 120.200 -0.046 0.000 2.130 130 E HA -0.275 4.075 4.350 0.001 0.000 0.196 130 E C 1.820 178.270 176.600 -0.249 0.000 0.998 130 E CA 1.620 57.910 56.400 -0.184 0.000 0.806 130 E CB -0.114 29.374 29.700 -0.353 0.000 0.738 130 E HN 0.363 nan 8.360 nan 0.000 0.459 131 K N -0.099 120.145 120.400 -0.260 0.000 2.103 131 K HA -0.186 4.134 4.320 0.001 0.000 0.207 131 K C 2.043 178.476 176.600 -0.278 0.000 1.048 131 K CA 1.222 57.311 56.287 -0.330 0.000 0.930 131 K CB -0.011 32.154 32.500 -0.558 0.000 0.716 131 K HN 0.094 nan 8.250 nan 0.000 0.444 132 L N 0.791 121.864 121.223 -0.249 0.000 2.095 132 L HA -0.076 4.265 4.340 0.001 0.000 0.204 132 L C 2.083 178.940 176.870 -0.021 0.000 1.080 132 L CA 0.841 55.539 54.840 -0.236 0.000 0.759 132 L CB -0.321 41.458 42.059 -0.466 0.000 0.914 132 L HN 0.206 nan 8.230 nan 0.000 0.439 133 I N -0.105 120.469 120.570 0.007 0.000 2.194 133 I HA -0.316 3.855 4.170 0.001 0.000 0.246 133 I C 2.261 178.468 176.117 0.150 0.000 1.093 133 I CA 1.532 62.905 61.300 0.121 0.000 1.355 133 I CB -0.921 37.114 38.000 0.058 0.000 1.046 133 I HN 0.340 nan 8.210 nan 0.000 0.413 134 R N 0.477 120.969 120.500 -0.014 0.000 2.323 134 R HA -0.042 4.298 4.340 0.001 0.000 0.198 134 R C 1.439 177.706 176.300 -0.055 0.000 0.988 134 R CA 0.202 56.276 56.100 -0.043 0.000 1.041 134 R CB -0.039 30.179 30.300 -0.137 0.000 0.926 134 R HN 0.500 nan 8.270 nan 0.000 0.476 135 E N -0.308 119.841 120.200 -0.086 0.000 2.489 135 E HA 0.025 4.375 4.350 0.001 0.000 0.193 135 E C -0.436 175.925 176.600 -0.398 0.000 1.057 135 E CA 0.304 56.544 56.400 -0.266 0.000 0.866 135 E CB 0.290 29.748 29.700 -0.403 0.000 0.916 135 E HN 0.106 nan 8.360 nan 0.000 0.500 136 F N -0.272 119.653 119.950 -0.041 0.000 2.541 136 F HA 0.244 4.772 4.527 0.001 0.000 0.331 136 F C 1.231 177.039 175.800 0.015 0.000 1.057 136 F CA -0.885 57.117 58.000 0.003 0.000 0.975 136 F CB 1.304 40.328 39.000 0.039 0.000 1.246 136 F HN -0.242 nan 8.300 nan 0.000 0.484 137 D N 0.300 120.833 120.400 0.222 0.000 2.423 137 D HA 0.218 4.859 4.640 0.001 0.000 0.212 137 D C 1.159 177.540 176.300 0.136 0.000 1.060 137 D CA 1.078 55.156 54.000 0.130 0.000 0.872 137 D CB 0.563 41.410 40.800 0.077 0.000 1.012 137 D HN 0.735 nan 8.370 nan 0.000 0.503 138 G N 1.742 110.647 108.800 0.176 0.000 2.697 138 G HA2 -0.241 3.719 3.960 0.001 0.000 0.240 138 G HA3 -0.241 3.719 3.960 0.001 0.000 0.240 138 G C -2.581 172.375 174.900 0.093 0.000 1.346 138 G CA -0.915 44.261 45.100 0.127 0.000 0.887 138 G HN 0.011 nan 8.290 nan 0.000 0.569 139 P HA 0.402 nan 4.420 nan 0.000 0.265 139 P C 0.722 178.065 177.300 0.071 0.000 1.193 139 P CA 0.925 64.071 63.100 0.078 0.000 0.765 139 P CB 0.931 32.667 31.700 0.060 0.000 0.823 140 A N 2.459 125.339 122.820 0.100 0.000 1.970 140 A HA -0.041 4.279 4.320 0.001 0.000 0.216 140 A C 1.387 178.897 177.584 -0.124 0.000 1.170 140 A CA 1.313 53.348 52.037 -0.005 0.000 0.645 140 A CB -1.047 17.959 19.000 0.011 0.000 0.816 140 A HN 0.500 nan 8.150 nan 0.000 0.447 141 F N -0.945 119.003 119.950 -0.003 0.000 2.399 141 F HA 0.406 4.933 4.527 0.001 0.000 0.282 141 F C 1.790 177.595 175.800 0.009 0.000 1.027 141 F CA 0.689 58.692 58.000 0.004 0.000 1.333 141 F CB -0.514 38.486 39.000 -0.000 0.000 1.132 141 F HN 0.438 nan 8.300 nan 0.000 0.590 142 G N 1.259 110.188 108.800 0.213 0.000 2.749 142 G HA2 -0.293 3.668 3.960 0.001 0.000 0.242 142 G HA3 -0.293 3.668 3.960 0.001 0.000 0.242 142 G C 0.724 175.673 174.900 0.082 0.000 1.364 142 G CA -0.039 45.115 45.100 0.091 0.000 0.888 142 G HN 0.262 nan 8.290 nan 0.000 0.566 143 I N 0.445 120.950 120.570 -0.108 0.000 2.163 143 I HA -0.130 4.041 4.170 0.001 0.000 0.243 143 I C 3.330 179.394 176.117 -0.087 0.000 1.085 143 I CA 2.909 63.996 61.300 -0.355 0.000 1.347 143 I CB -0.936 36.644 38.000 -0.700 0.000 1.044 143 I HN 0.923 nan 8.210 nan 0.000 0.408 144 E N 1.185 121.356 120.200 -0.048 0.000 2.085 144 E HA -0.168 4.182 4.350 0.001 0.000 0.194 144 E C 2.326 178.984 176.600 0.096 0.000 0.994 144 E CA 1.492 57.901 56.400 0.016 0.000 0.801 144 E CB -1.616 28.082 29.700 -0.002 0.000 0.743 144 E HN 0.642 nan 8.360 nan 0.000 0.453 145 G N 0.086 108.968 108.800 0.137 0.000 2.418 145 G HA2 -0.118 3.842 3.960 0.001 0.000 0.217 145 G HA3 -0.118 3.842 3.960 0.001 0.000 0.217 145 G C 1.944 177.041 174.900 0.328 0.000 1.158 145 G CA 1.383 46.631 45.100 0.247 0.000 0.771 145 G HN 0.467 nan 8.290 nan 0.000 0.545 146 V N 0.412 120.511 119.914 0.307 0.000 2.379 146 V HA -0.070 4.051 4.120 0.001 0.000 0.245 146 V C 2.849 179.112 176.094 0.281 0.000 1.044 146 V CA 1.542 64.019 62.300 0.295 0.000 1.036 146 V CB -0.434 31.628 31.823 0.397 0.000 0.664 146 V HN 0.273 nan 8.190 nan 0.000 0.453 147 R N 0.147 120.827 120.500 0.300 0.000 2.127 147 R HA -0.199 4.142 4.340 0.001 0.000 0.238 147 R C 2.393 178.792 176.300 0.164 0.000 1.134 147 R CA 1.615 57.857 56.100 0.237 0.000 0.975 147 R CB -0.264 30.155 30.300 0.198 0.000 0.865 147 R HN 0.467 nan 8.270 nan 0.000 0.447 148 K N 0.787 121.279 120.400 0.153 0.000 2.116 148 K HA -0.065 4.256 4.320 0.001 0.000 0.203 148 K C 2.152 178.830 176.600 0.131 0.000 1.052 148 K CA 0.877 57.238 56.287 0.123 0.000 0.952 148 K CB 0.027 32.592 32.500 0.109 0.000 0.729 148 K HN 0.067 nan 8.250 nan 0.000 0.446 149 M N 0.539 120.237 119.600 0.163 0.000 2.175 149 M HA -0.113 4.368 4.480 0.001 0.000 0.264 149 M C 1.119 177.495 176.300 0.127 0.000 1.063 149 M CA 1.568 56.956 55.300 0.147 0.000 1.119 149 M CB 0.145 32.829 32.600 0.140 0.000 1.377 149 M HN 0.159 nan 8.290 nan 0.000 0.415 150 L N -0.050 121.256 121.223 0.139 0.000 2.607 150 L HA 0.173 4.513 4.340 0.001 0.000 0.228 150 L C 0.022 176.953 176.870 0.102 0.000 1.123 150 L CA -0.010 54.904 54.840 0.124 0.000 0.890 150 L CB -0.155 41.988 42.059 0.140 0.000 1.103 150 L HN 0.339 nan 8.230 nan 0.000 0.468 151 E N 1.062 121.322 120.200 0.101 0.000 2.297 151 E HA -0.216 4.135 4.350 0.001 0.000 0.228 151 E C -0.319 176.330 176.600 0.081 0.000 1.213 151 E CA 0.321 56.770 56.400 0.083 0.000 0.712 151 E CB -1.308 28.432 29.700 0.066 0.000 1.202 151 E HN 0.462 nan 8.360 nan 0.000 0.376 152 I N 0.723 121.353 120.570 0.100 0.000 2.437 152 I HA 0.130 4.300 4.170 0.001 0.000 0.279 152 I C 1.169 177.351 176.117 0.108 0.000 1.028 152 I CA -0.598 60.762 61.300 0.099 0.000 1.142 152 I CB 1.095 39.162 38.000 0.110 0.000 1.266 152 I HN 0.023 nan 8.210 nan 0.000 0.461 153 K N 2.565 123.013 120.400 0.081 0.000 2.044 153 K HA -0.019 4.301 4.320 0.001 0.000 0.204 153 K C 0.618 177.261 176.600 0.071 0.000 1.049 153 K CA 1.074 57.403 56.287 0.071 0.000 0.945 153 K CB 0.310 32.840 32.500 0.051 0.000 0.724 153 K HN 0.543 nan 8.250 nan 0.000 0.440 154 D N -0.064 120.374 120.400 0.065 0.000 2.929 154 D HA 0.005 4.646 4.640 0.001 0.000 0.291 154 D C 0.419 176.759 176.300 0.067 0.000 1.086 154 D CA 0.135 54.168 54.000 0.056 0.000 0.971 154 D CB 0.350 41.171 40.800 0.035 0.000 1.275 154 D HN 0.119 nan 8.370 nan 0.000 0.469 155 R N 2.598 123.134 120.500 0.059 0.000 2.734 155 R HA 0.236 4.576 4.340 0.001 0.000 0.266 155 R C -2.434 173.921 176.300 0.092 0.000 1.044 155 R CA -0.897 55.235 56.100 0.054 0.000 1.128 155 R CB -0.616 29.703 30.300 0.030 0.000 1.010 155 R HN -0.073 nan 8.270 nan 0.000 0.461 156 P HA 0.023 nan 4.420 nan 0.000 0.272 156 P C -0.193 177.160 177.300 0.088 0.000 1.230 156 P CA -0.249 62.917 63.100 0.109 0.000 0.788 156 P CB 0.435 32.182 31.700 0.077 0.000 0.949 157 I N 1.231 121.829 120.570 0.046 0.000 2.662 157 I HA 0.162 4.332 4.170 0.001 0.000 0.291 157 I C 0.225 176.431 176.117 0.148 0.000 1.046 157 I CA -0.300 61.036 61.300 0.059 0.000 1.361 157 I CB -0.658 37.312 38.000 -0.050 0.000 1.429 157 I HN 0.436 nan 8.210 nan 0.000 0.558 158 Y N 3.516 123.796 120.300 -0.033 0.000 2.354 158 Y HA 0.716 5.267 4.550 0.001 0.000 0.330 158 Y C -0.359 175.201 175.900 -0.568 0.000 1.011 158 Y CA -0.751 57.245 58.100 -0.173 0.000 1.099 158 Y CB 1.521 39.889 38.460 -0.153 0.000 1.179 158 Y HN 0.689 nan 8.280 nan 0.000 0.442 159 G N 2.990 110.869 108.800 -1.534 0.000 2.766 159 G HA2 0.675 4.635 3.960 0.001 0.000 0.288 159 G HA3 0.675 4.635 3.960 0.001 0.000 0.288 159 G C -2.234 171.869 174.900 -1.329 0.000 1.408 159 G CA -1.017 42.516 45.100 -2.612 0.000 0.852 159 G HN 0.612 nan 8.290 nan 0.000 0.487 160 V N -0.312 119.065 119.914 -0.895 0.000 2.760 160 V HA 0.520 4.640 4.120 0.001 0.000 0.309 160 V C -0.497 175.532 176.094 -0.109 0.000 1.077 160 V CA -0.733 61.349 62.300 -0.363 0.000 0.910 160 V CB 1.886 33.518 31.823 -0.319 0.000 1.008 160 V HN 0.589 nan 8.190 nan 0.000 0.424 161 V N 5.940 125.859 119.914 0.008 0.000 2.370 161 V HA 0.363 4.483 4.120 0.001 0.000 0.279 161 V C -2.272 173.859 176.094 0.061 0.000 1.029 161 V CA -1.983 60.370 62.300 0.088 0.000 0.870 161 V CB 1.671 33.574 31.823 0.134 0.000 0.984 161 V HN 0.745 nan 8.190 nan 0.000 0.451 162 P HA 0.148 nan 4.420 nan 0.000 0.265 162 P C -0.704 176.607 177.300 0.018 0.000 1.193 162 P CA 0.056 63.144 63.100 -0.020 0.000 0.765 162 P CB 0.398 32.003 31.700 -0.158 0.000 0.823 163 K N 3.472 123.867 120.400 -0.008 0.000 2.378 163 K HA 0.454 4.775 4.320 0.001 0.000 0.252 163 K C -2.282 174.330 176.600 0.020 0.000 0.931 163 K CA -2.012 54.299 56.287 0.040 0.000 0.794 163 K CB 0.919 33.448 32.500 0.048 0.000 1.181 163 K HN 0.335 nan 8.250 nan 0.000 0.425 164 P HA 0.134 nan 4.420 nan 0.000 0.269 164 P C 0.251 177.662 177.300 0.184 0.000 1.217 164 P CA -0.210 62.954 63.100 0.107 0.000 0.783 164 P CB 0.927 32.686 31.700 0.098 0.000 0.898 165 K N -0.104 120.379 120.400 0.139 0.000 2.063 165 K HA -0.048 4.272 4.320 0.001 0.000 0.208 165 K C 1.090 177.800 176.600 0.183 0.000 1.048 165 K CA 1.515 57.891 56.287 0.148 0.000 0.928 165 K CB -0.370 32.175 32.500 0.075 0.000 0.713 165 K HN 0.516 nan 8.250 nan 0.000 0.442 166 V N -6.208 113.762 119.914 0.093 0.000 3.182 166 V HA 0.773 4.894 4.120 0.001 0.000 0.308 166 V C 0.360 176.356 176.094 -0.162 0.000 1.240 166 V CA -0.410 61.848 62.300 -0.070 0.000 1.063 166 V CB 1.487 33.290 31.823 -0.033 0.000 1.076 166 V HN 0.332 nan 8.190 nan 0.000 0.446 167 G N 0.146 108.651 108.800 -0.492 0.000 2.184 167 G HA2 -0.140 3.821 3.960 0.001 0.000 0.206 167 G HA3 -0.140 3.821 3.960 0.001 0.000 0.206 167 G C -0.379 174.322 174.900 -0.331 0.000 0.995 167 G CA 0.411 45.149 45.100 -0.603 0.000 0.651 167 G HN 2.314 nan 8.290 nan 0.000 0.511 168 Y N 1.138 121.343 120.300 -0.157 0.000 2.528 168 Y HA 0.841 5.392 4.550 0.001 0.000 0.335 168 Y C 0.425 176.338 175.900 0.021 0.000 1.093 168 Y CA -1.123 56.948 58.100 -0.049 0.000 1.134 168 Y CB 1.100 39.564 38.460 0.008 0.000 1.253 168 Y HN 0.524 nan 8.280 nan 0.000 0.478 169 S N 0.402 116.225 115.700 0.205 0.000 2.693 169 S HA 0.460 4.930 4.470 0.001 0.000 0.276 169 S C -2.225 172.504 174.600 0.216 0.000 1.192 169 S CA -1.389 56.888 58.200 0.127 0.000 0.994 169 S CB 1.635 64.893 63.200 0.097 0.000 1.012 169 S HN 0.570 nan 8.310 nan 0.000 0.550 170 P HA -0.022 nan 4.420 nan 0.000 0.217 170 P C 0.893 178.289 177.300 0.161 0.000 1.150 170 P CA 1.145 64.330 63.100 0.142 0.000 0.832 170 P CB -0.015 31.706 31.700 0.035 0.000 0.787 171 E N -0.015 120.244 120.200 0.099 0.000 2.072 171 E HA -0.174 4.177 4.350 0.001 0.000 0.191 171 E C 1.947 178.583 176.600 0.059 0.000 0.985 171 E CA 1.207 57.640 56.400 0.055 0.000 0.801 171 E CB -0.755 28.968 29.700 0.038 0.000 0.750 171 E HN 0.402 nan 8.360 nan 0.000 0.452 172 E N -0.120 120.145 120.200 0.108 0.000 2.077 172 E HA -0.168 4.182 4.350 0.001 0.000 0.193 172 E C 1.769 178.416 176.600 0.079 0.000 0.989 172 E CA 0.882 57.336 56.400 0.090 0.000 0.800 172 E CB -0.242 29.535 29.700 0.129 0.000 0.746 172 E HN 0.210 nan 8.360 nan 0.000 0.452 173 F N 2.283 122.243 119.950 0.017 0.000 2.250 173 F HA -0.195 4.332 4.527 0.001 0.000 0.301 173 F C 2.155 177.896 175.800 -0.098 0.000 1.077 173 F CA 1.670 59.635 58.000 -0.060 0.000 1.348 173 F CB -0.033 39.018 39.000 0.086 0.000 1.040 173 F HN -0.030 nan 8.300 nan 0.000 0.509 174 E N 0.342 120.441 120.200 -0.169 0.000 2.051 174 E HA -0.309 4.041 4.350 0.001 0.000 0.192 174 E C 2.243 178.698 176.600 -0.243 0.000 0.991 174 E CA 1.489 57.729 56.400 -0.267 0.000 0.799 174 E CB -0.205 29.416 29.700 -0.132 0.000 0.748 174 E HN 0.284 nan 8.360 nan 0.000 0.449 175 K N 0.656 120.966 120.400 -0.151 0.000 2.026 175 K HA -0.168 4.152 4.320 0.001 0.000 0.208 175 K C 2.147 178.676 176.600 -0.118 0.000 1.048 175 K CA 1.333 57.564 56.287 -0.093 0.000 0.929 175 K CB -0.679 31.784 32.500 -0.062 0.000 0.713 175 K HN 0.231 nan 8.250 nan 0.000 0.439 176 L N 0.439 121.546 121.223 -0.193 0.000 2.017 176 L HA -0.041 4.299 4.340 0.001 0.000 0.208 176 L C 2.151 178.840 176.870 -0.302 0.000 1.073 176 L CA 2.237 56.945 54.840 -0.220 0.000 0.745 176 L CB -1.029 40.894 42.059 -0.226 0.000 0.894 176 L HN 0.264 nan 8.230 nan 0.000 0.432 177 A N -1.254 121.259 122.820 -0.512 0.000 1.858 177 A HA -0.305 4.016 4.320 0.001 0.000 0.216 177 A C 2.319 179.723 177.584 -0.300 0.000 1.190 177 A CA 1.911 53.621 52.037 -0.546 0.000 0.617 177 A CB -1.367 17.069 19.000 -0.940 0.000 0.827 177 A HN 0.638 nan 8.150 nan 0.000 0.443 178 Y N 1.382 121.485 120.300 -0.329 0.000 2.114 178 Y HA -0.272 4.278 4.550 0.001 0.000 0.282 178 Y C 1.904 177.698 175.900 -0.177 0.000 1.165 178 Y CA 2.198 60.165 58.100 -0.222 0.000 1.148 178 Y CB -0.330 38.019 38.460 -0.185 0.000 0.972 178 Y HN 0.379 nan 8.280 nan 0.000 0.504 179 D N 0.098 120.365 120.400 -0.221 0.000 2.097 179 D HA -0.185 4.455 4.640 0.001 0.000 0.195 179 D C 2.392 178.532 176.300 -0.267 0.000 0.989 179 D CA 1.699 55.543 54.000 -0.261 0.000 0.827 179 D CB -0.523 40.202 40.800 -0.125 0.000 0.966 179 D HN 0.407 nan 8.370 nan 0.000 0.456 180 L N 0.234 121.316 121.223 -0.236 0.000 2.005 180 L HA -0.124 4.217 4.340 0.001 0.000 0.207 180 L C 2.602 179.331 176.870 -0.235 0.000 1.072 180 L CA 0.739 55.450 54.840 -0.215 0.000 0.744 180 L CB -0.427 41.496 42.059 -0.227 0.000 0.895 180 L HN 0.034 nan 8.230 nan 0.000 0.433 181 L N -0.943 120.119 121.223 -0.268 0.000 2.083 181 L HA -0.177 4.163 4.340 0.001 0.000 0.209 181 L C 2.545 179.273 176.870 -0.236 0.000 1.083 181 L CA 0.978 55.674 54.840 -0.241 0.000 0.752 181 L CB -0.499 41.431 42.059 -0.214 0.000 0.899 181 L HN 0.186 nan 8.230 nan 0.000 0.433 182 S N -0.423 115.071 115.700 -0.343 0.000 2.515 182 S HA -0.031 4.439 4.470 0.001 0.000 0.231 182 S C 1.228 175.696 174.600 -0.221 0.000 0.987 182 S CA 0.644 58.634 58.200 -0.351 0.000 0.936 182 S CB -0.166 62.660 63.200 -0.624 0.000 0.766 182 S HN 0.432 nan 8.310 nan 0.000 0.528 183 N N 0.011 118.601 118.700 -0.182 0.000 2.282 183 N HA 0.247 4.987 4.740 0.001 0.000 0.240 183 N C 0.928 176.405 175.510 -0.055 0.000 1.182 183 N CA 0.599 53.580 53.050 -0.115 0.000 0.874 183 N CB 1.375 39.792 38.487 -0.117 0.000 1.126 183 N HN 0.477 nan 8.380 nan 0.000 0.516 184 G N 0.409 109.181 108.800 -0.046 0.000 2.428 184 G HA2 -0.200 3.761 3.960 0.001 0.000 0.199 184 G HA3 -0.200 3.761 3.960 0.001 0.000 0.199 184 G C 0.267 175.208 174.900 0.069 0.000 1.005 184 G CA -0.107 45.007 45.100 0.023 0.000 0.671 184 G HN 0.474 nan 8.290 nan 0.000 0.485 185 A N 0.905 123.709 122.820 -0.027 0.000 2.546 185 A HA 0.472 4.793 4.320 0.001 0.000 0.243 185 A C 1.133 178.547 177.584 -0.283 0.000 1.063 185 A CA 1.152 52.990 52.037 -0.331 0.000 0.757 185 A CB 0.199 18.891 19.000 -0.513 0.000 0.991 185 A HN 0.251 nan 8.150 nan 0.000 0.503 186 D N -0.097 120.101 120.400 -0.336 0.000 2.249 186 D HA 0.118 4.758 4.640 0.001 0.000 0.205 186 D C 0.040 176.252 176.300 -0.147 0.000 0.962 186 D CA 1.753 55.660 54.000 -0.155 0.000 0.860 186 D CB 0.065 40.851 40.800 -0.024 0.000 0.955 186 D HN 0.731 nan 8.370 nan 0.000 0.505 187 Y N -1.759 118.313 120.300 -0.380 0.000 2.609 187 Y HA 0.594 5.144 4.550 0.001 0.000 0.336 187 Y C -0.893 174.736 175.900 -0.452 0.000 1.129 187 Y CA -1.540 56.283 58.100 -0.460 0.000 1.040 187 Y CB 0.693 38.657 38.460 -0.826 0.000 1.310 187 Y HN -0.329 nan 8.280 nan 0.000 0.460 191 D N 1.100 121.545 120.400 0.074 0.000 2.382 191 D HA -0.011 4.629 4.640 0.001 0.000 0.240 191 D C 1.469 177.702 176.300 -0.111 0.000 1.146 191 D CA 0.049 54.054 54.000 0.009 0.000 0.897 191 D CB 1.017 41.838 40.800 0.036 0.000 1.197 191 D HN 0.376 nan 8.370 nan 0.000 0.432 192 E N 2.151 122.167 120.200 -0.307 0.000 2.333 192 E HA -0.233 4.118 4.350 0.001 0.000 0.198 192 E C 0.640 177.098 176.600 -0.236 0.000 1.007 192 E CA 1.137 57.250 56.400 -0.479 0.000 0.845 192 E CB -0.630 28.428 29.700 -1.070 0.000 0.766 192 E HN 0.699 nan 8.360 nan 0.000 0.507 193 N N 0.034 118.648 118.700 -0.142 0.000 2.205 193 N HA 0.060 4.800 4.740 0.001 0.000 0.201 193 N C 0.307 175.781 175.510 -0.060 0.000 1.128 193 N CA -0.489 52.511 53.050 -0.084 0.000 0.867 193 N CB 0.112 38.567 38.487 -0.052 0.000 0.996 193 N HN -0.031 nan 8.380 nan 0.000 0.503 194 L N 2.595 123.783 121.223 -0.059 0.000 2.342 194 L HA 0.302 4.643 4.340 0.001 0.000 0.285 194 L C 0.672 177.510 176.870 -0.053 0.000 1.095 194 L CA 0.179 54.980 54.840 -0.064 0.000 0.843 194 L CB 0.332 42.356 42.059 -0.059 0.000 1.201 194 L HN 0.304 nan 8.230 nan 0.000 0.445 195 T N 0.051 114.560 114.554 -0.076 0.000 2.589 195 T HA 0.260 4.610 4.350 0.001 0.000 0.178 195 T C 0.547 175.230 174.700 -0.029 0.000 0.708 195 T CA 0.309 62.383 62.100 -0.043 0.000 1.734 195 T CB 0.029 68.856 68.868 -0.068 0.000 2.792 195 T HN 0.359 nan 8.240 nan 0.000 0.406 196 S N 2.904 118.554 115.700 -0.084 0.000 2.399 196 S HA 0.432 4.903 4.470 0.001 0.000 0.198 196 S C -2.737 171.752 174.600 -0.184 0.000 1.294 196 S CA -1.231 56.918 58.200 -0.084 0.000 1.237 196 S CB 0.016 63.219 63.200 0.006 0.000 1.286 196 S HN 0.491 nan 8.310 nan 0.000 0.404 197 P HA 0.165 nan 4.420 nan 0.000 0.274 197 P C 1.557 178.532 177.300 -0.542 0.000 1.256 197 P CA -0.656 62.130 63.100 -0.524 0.000 0.795 197 P CB 0.271 31.344 31.700 -1.046 0.000 1.038 198 W N 1.800 122.931 121.300 -0.281 0.000 2.325 198 W HA -0.241 4.420 4.660 0.001 0.000 0.299 198 W C 1.530 177.977 176.519 -0.120 0.000 1.215 198 W CA 1.313 58.578 57.345 -0.132 0.000 1.244 198 W CB -2.085 27.365 29.460 -0.017 0.000 1.140 198 W HN 0.399 nan 8.180 nan 0.000 0.523 199 Y N 0.321 120.023 120.300 -0.995 0.000 2.561 199 Y HA 0.299 4.850 4.550 0.001 0.000 0.291 199 Y C 0.657 176.290 175.900 -0.446 0.000 1.141 199 Y CA 0.681 58.238 58.100 -0.904 0.000 1.303 199 Y CB -0.987 36.603 38.460 -1.451 0.000 1.015 199 Y HN -0.112 nan 8.280 nan 0.000 0.547 200 N N 1.233 119.528 118.700 -0.676 0.000 2.839 200 N HA 0.111 4.851 4.740 0.001 0.000 0.230 200 N C -1.454 173.868 175.510 -0.314 0.000 1.388 200 N CA -0.278 52.531 53.050 -0.402 0.000 0.747 200 N CB 0.585 38.820 38.487 -0.420 0.000 1.411 200 N HN 0.047 nan 8.380 nan 0.000 0.556 201 R N 1.392 121.791 120.500 -0.167 0.000 2.537 201 R HA 0.086 4.427 4.340 0.001 0.000 0.280 201 R C 1.325 177.632 176.300 0.012 0.000 1.058 201 R CA -0.314 55.751 56.100 -0.058 0.000 1.057 201 R CB 0.085 30.383 30.300 -0.004 0.000 0.973 201 R HN 0.458 nan 8.270 nan 0.000 0.438 202 F N 3.574 123.492 119.950 -0.052 0.000 2.065 202 F HA -0.285 4.242 4.527 0.001 0.000 0.298 202 F C 2.281 178.123 175.800 0.071 0.000 1.112 202 F CA 2.206 60.221 58.000 0.024 0.000 1.212 202 F CB 0.132 39.140 39.000 0.014 0.000 0.975 202 F HN 0.628 nan 8.300 nan 0.000 0.476 203 E N 0.484 120.832 120.200 0.247 0.000 2.153 203 E HA -0.256 4.095 4.350 0.001 0.000 0.194 203 E C 1.769 178.374 176.600 0.009 0.000 0.988 203 E CA 1.816 58.302 56.400 0.143 0.000 0.811 203 E CB -0.971 28.818 29.700 0.148 0.000 0.746 203 E HN 0.642 nan 8.360 nan 0.000 0.466 204 E N 0.873 121.066 120.200 -0.011 0.000 2.107 204 E HA -0.138 4.212 4.350 0.001 0.000 0.191 204 E C 2.387 178.932 176.600 -0.091 0.000 0.982 204 E CA 1.350 57.727 56.400 -0.038 0.000 0.809 204 E CB -0.154 29.533 29.700 -0.023 0.000 0.756 204 E HN 0.428 nan 8.360 nan 0.000 0.459 205 R N 0.614 121.020 120.500 -0.156 0.000 2.200 205 R HA 0.183 4.523 4.340 0.001 0.000 0.208 205 R C 2.193 178.213 176.300 -0.467 0.000 1.033 205 R CA 0.864 56.812 56.100 -0.253 0.000 1.000 205 R CB -0.158 29.953 30.300 -0.317 0.000 0.906 205 R HN 0.011 nan 8.270 nan 0.000 0.462 206 A N 2.138 124.746 122.820 -0.354 0.000 1.877 206 A HA -0.177 4.144 4.320 0.001 0.000 0.216 206 A C 1.964 179.468 177.584 -0.133 0.000 1.186 206 A CA 1.594 53.511 52.037 -0.201 0.000 0.620 206 A CB -0.437 18.537 19.000 -0.044 0.000 0.822 206 A HN 0.491 nan 8.150 nan 0.000 0.443 207 E N -0.440 119.705 120.200 -0.091 0.000 2.077 207 E HA -0.159 4.192 4.350 0.001 0.000 0.193 207 E C 1.910 178.455 176.600 -0.091 0.000 0.989 207 E CA 1.196 57.562 56.400 -0.058 0.000 0.800 207 E CB -0.279 29.401 29.700 -0.033 0.000 0.746 207 E HN 0.688 nan 8.360 nan 0.000 0.452 208 I N 0.535 121.028 120.570 -0.129 0.000 2.179 208 I HA -0.284 3.887 4.170 0.001 0.000 0.242 208 I C 2.372 178.378 176.117 -0.185 0.000 1.088 208 I CA 0.778 61.996 61.300 -0.136 0.000 1.357 208 I CB -0.117 37.816 38.000 -0.110 0.000 1.051 208 I HN 0.206 nan 8.210 nan 0.000 0.409 209 M N 0.210 119.634 119.600 -0.293 0.000 2.132 209 M HA -0.135 4.345 4.480 0.001 0.000 0.263 209 M C 2.632 178.857 176.300 -0.124 0.000 1.065 209 M CA 1.845 56.954 55.300 -0.317 0.000 1.122 209 M CB -1.430 30.758 32.600 -0.686 0.000 1.365 209 M HN 0.277 nan 8.290 nan 0.000 0.411 210 A N 0.526 123.306 122.820 -0.066 0.000 1.892 210 A HA -0.258 4.063 4.320 0.001 0.000 0.218 210 A C 2.326 179.899 177.584 -0.017 0.000 1.188 210 A CA 2.399 54.437 52.037 0.002 0.000 0.631 210 A CB -0.775 18.235 19.000 0.016 0.000 0.822 210 A HN 0.548 nan 8.150 nan 0.000 0.447 211 K N -0.598 119.775 120.400 -0.046 0.000 1.985 211 K HA -0.132 4.189 4.320 0.001 0.000 0.210 211 K C 1.851 178.422 176.600 -0.048 0.000 1.047 211 K CA 1.679 57.937 56.287 -0.048 0.000 0.932 211 K CB -0.321 32.138 32.500 -0.067 0.000 0.716 211 K HN 0.316 nan 8.250 nan 0.000 0.439 212 I N 1.980 122.507 120.570 -0.072 0.000 2.194 212 I HA -0.293 3.878 4.170 0.001 0.000 0.246 212 I C 2.454 178.571 176.117 0.000 0.000 1.093 212 I CA 1.379 62.653 61.300 -0.043 0.000 1.355 212 I CB -0.977 36.964 38.000 -0.099 0.000 1.046 212 I HN 0.318 nan 8.210 nan 0.000 0.413 213 I N 0.635 121.196 120.570 -0.015 0.000 2.163 213 I HA -0.322 3.848 4.170 0.001 0.000 0.243 213 I C 2.229 178.360 176.117 0.024 0.000 1.085 213 I CA 1.530 62.838 61.300 0.012 0.000 1.347 213 I CB -0.480 37.544 38.000 0.040 0.000 1.044 213 I HN 0.205 nan 8.210 nan 0.000 0.408 214 D N 0.815 121.227 120.400 0.020 0.000 2.104 214 D HA -0.224 4.417 4.640 0.001 0.000 0.194 214 D C 2.051 178.366 176.300 0.025 0.000 0.994 214 D CA 1.299 55.312 54.000 0.021 0.000 0.830 214 D CB -0.234 40.574 40.800 0.013 0.000 0.959 214 D HN 0.272 nan 8.370 nan 0.000 0.452 215 K N 0.667 121.083 120.400 0.027 0.000 1.991 215 K HA -0.126 4.194 4.320 0.001 0.000 0.212 215 K C 2.069 178.723 176.600 0.091 0.000 1.049 215 K CA 1.100 57.416 56.287 0.049 0.000 0.932 215 K CB -0.177 32.343 32.500 0.034 0.000 0.717 215 K HN -0.085 nan 8.250 nan 0.000 0.441 216 V N 1.794 121.772 119.914 0.106 0.000 2.392 216 V HA -0.239 3.882 4.120 0.001 0.000 0.249 216 V C 2.079 178.182 176.094 0.014 0.000 1.059 216 V CA 2.022 64.352 62.300 0.051 0.000 1.051 216 V CB -0.470 31.340 31.823 -0.022 0.000 0.658 216 V HN 0.412 nan 8.190 nan 0.000 0.455 217 E N 0.151 120.363 120.200 0.020 0.000 2.072 217 E HA -0.238 4.112 4.350 0.001 0.000 0.191 217 E C 2.110 178.722 176.600 0.020 0.000 0.985 217 E CA 1.329 57.740 56.400 0.018 0.000 0.801 217 E CB -0.259 29.456 29.700 0.026 0.000 0.750 217 E HN 0.595 nan 8.360 nan 0.000 0.452 218 N N 1.210 119.925 118.700 0.025 0.000 2.244 218 N HA -0.170 4.570 4.740 0.001 0.000 0.183 218 N C 1.291 176.814 175.510 0.022 0.000 1.016 218 N CA 1.221 54.285 53.050 0.023 0.000 0.866 218 N CB 0.143 38.643 38.487 0.022 0.000 0.980 218 N HN 0.192 nan 8.380 nan 0.000 0.430 219 E N -1.668 118.549 120.200 0.028 0.000 2.250 219 E HA 0.002 4.352 4.350 0.001 0.000 0.192 219 E C 1.174 177.778 176.600 0.006 0.000 0.986 219 E CA 1.306 57.721 56.400 0.025 0.000 0.849 219 E CB 0.212 29.942 29.700 0.050 0.000 0.797 219 E HN 0.592 nan 8.360 nan 0.000 0.482 220 T N -4.092 110.461 114.554 -0.002 0.000 2.971 220 T HA 0.252 4.602 4.350 0.001 0.000 0.252 220 T C 1.594 176.293 174.700 -0.001 0.000 1.022 220 T CA 0.438 62.531 62.100 -0.012 0.000 0.980 220 T CB 0.810 69.659 68.868 -0.032 0.000 1.044 220 T HN 0.182 nan 8.240 nan 0.000 0.501 221 G N 1.435 110.239 108.800 0.006 0.000 2.155 221 G HA2 -0.231 3.729 3.960 0.001 0.000 0.257 221 G HA3 -0.231 3.729 3.960 0.001 0.000 0.257 221 G C -0.282 174.627 174.900 0.015 0.000 0.983 221 G CA 0.345 45.453 45.100 0.013 0.000 0.676 221 G HN 0.683 nan 8.290 nan 0.000 0.528 222 E N 0.376 120.582 120.200 0.010 0.000 2.179 222 E HA 0.402 4.752 4.350 0.001 0.000 0.275 222 E C 0.005 176.617 176.600 0.019 0.000 0.945 222 E CA -1.022 55.386 56.400 0.014 0.000 0.792 222 E CB 1.069 30.771 29.700 0.003 0.000 1.125 222 E HN -0.008 nan 8.360 nan 0.000 0.397 223 K N 2.952 123.373 120.400 0.035 0.000 2.401 223 K HA 0.203 4.524 4.320 0.001 0.000 0.278 223 K C -0.089 176.537 176.600 0.044 0.000 1.018 223 K CA 0.055 56.371 56.287 0.048 0.000 0.981 223 K CB 0.455 32.995 32.500 0.067 0.000 0.933 223 K HN 0.292 nan 8.250 nan 0.000 0.477 224 K N 0.850 121.278 120.400 0.047 0.000 2.400 224 K HA 0.541 4.861 4.320 0.001 0.000 0.246 224 K C 0.064 176.719 176.600 0.091 0.000 0.995 224 K CA -0.682 55.628 56.287 0.040 0.000 0.840 224 K CB 2.184 34.684 32.500 0.000 0.000 1.293 224 K HN 0.640 nan 8.250 nan 0.000 0.445 225 T N -0.818 113.797 114.554 0.102 0.000 2.671 225 T HA 0.637 4.987 4.350 0.001 0.000 0.300 225 T C -2.120 172.691 174.700 0.185 0.000 1.238 225 T CA -0.575 61.636 62.100 0.186 0.000 1.020 225 T CB 0.869 69.911 68.868 0.290 0.000 1.503 225 T HN 0.554 nan 8.240 nan 0.000 0.497 226 W N 2.598 123.901 121.300 0.006 0.000 3.326 226 W HA 0.610 5.270 4.660 0.001 0.000 0.333 226 W C -2.300 174.283 176.519 0.108 0.000 1.108 226 W CA -1.715 55.602 57.345 -0.047 0.000 1.245 226 W CB 0.689 30.168 29.460 0.032 0.000 1.331 226 W HN 0.414 nan 8.180 nan 0.000 0.464 227 F N 5.796 125.477 119.950 -0.449 0.000 2.464 227 F HA 0.503 5.031 4.527 0.001 0.000 0.353 227 F C 0.933 176.203 175.800 -0.883 0.000 1.191 227 F CA -1.258 56.378 58.000 -0.606 0.000 1.147 227 F CB -0.482 38.178 39.000 -0.567 0.000 1.294 227 F HN 0.461 nan 8.300 nan 0.000 0.583 228 A N 3.318 125.555 122.820 -0.973 0.000 2.302 228 A HA 0.289 4.610 4.320 0.001 0.000 0.295 228 A C 0.408 177.868 177.584 -0.207 0.000 1.235 228 A CA -0.650 50.740 52.037 -1.079 0.000 0.876 228 A CB -0.126 17.921 19.000 -1.588 0.000 1.133 228 A HN 0.562 nan 8.150 nan 0.000 0.533 229 N N 2.778 121.464 118.700 -0.023 0.000 2.406 229 N HA 0.085 4.825 4.740 0.001 0.000 0.265 229 N C 0.777 176.324 175.510 0.062 0.000 1.203 229 N CA -0.248 52.817 53.050 0.025 0.000 0.945 229 N CB 0.155 38.645 38.487 0.005 0.000 1.165 229 N HN 0.641 nan 8.380 nan 0.000 0.485 230 I N -0.229 120.288 120.570 -0.087 0.000 3.793 230 I HA 0.190 4.361 4.170 0.001 0.000 0.315 230 I C 0.050 176.037 176.117 -0.217 0.000 1.275 230 I CA -0.262 60.862 61.300 -0.295 0.000 1.214 230 I CB -0.390 37.433 38.000 -0.296 0.000 1.018 230 I HN 0.109 nan 8.210 nan 0.000 0.439 231 T N 3.544 118.016 114.554 -0.137 0.000 2.750 231 T HA 0.367 4.718 4.350 0.001 0.000 0.277 231 T C 0.212 174.846 174.700 -0.110 0.000 0.996 231 T CA 0.834 62.864 62.100 -0.115 0.000 1.195 231 T CB 0.087 68.894 68.868 -0.103 0.000 0.963 231 T HN 0.717 nan 8.240 nan 0.000 0.516 232 A N 3.800 126.562 122.820 -0.097 0.000 2.775 232 A HA 0.518 4.839 4.320 0.001 0.000 0.305 232 A C -1.225 176.324 177.584 -0.057 0.000 1.082 232 A CA -0.960 51.029 52.037 -0.080 0.000 0.591 232 A CB 0.462 19.401 19.000 -0.102 0.000 1.472 232 A HN 0.591 nan 8.150 nan 0.000 0.636 233 D N 0.018 120.391 120.400 -0.044 0.000 2.368 233 D HA 0.256 4.896 4.640 0.001 0.000 0.240 233 D C 1.453 177.740 176.300 -0.021 0.000 1.169 233 D CA -0.139 53.845 54.000 -0.026 0.000 0.906 233 D CB 0.976 41.764 40.800 -0.019 0.000 1.187 233 D HN 0.491 nan 8.370 nan 0.000 0.435 234 L N 2.007 123.230 121.223 0.000 0.000 1.963 234 L HA -0.264 4.076 4.340 0.001 0.000 0.220 234 L C 2.082 178.971 176.870 0.032 0.000 1.076 234 L CA 1.792 56.650 54.840 0.029 0.000 0.772 234 L CB -0.727 41.353 42.059 0.036 0.000 0.892 234 L HN 0.366 nan 8.230 nan 0.000 0.435 235 L N -0.396 120.838 121.223 0.020 0.000 2.013 235 L HA -0.239 4.101 4.340 0.001 0.000 0.212 235 L C 2.602 179.469 176.870 -0.006 0.000 1.073 235 L CA 1.750 56.602 54.840 0.019 0.000 0.753 235 L CB -1.329 40.736 42.059 0.010 0.000 0.890 235 L HN 0.352 nan 8.230 nan 0.000 0.432 236 E N -1.308 118.873 120.200 -0.032 0.000 2.110 236 E HA -0.195 4.155 4.350 0.001 0.000 0.193 236 E C 2.310 178.837 176.600 -0.121 0.000 0.988 236 E CA 1.138 57.494 56.400 -0.073 0.000 0.804 236 E CB -0.250 29.403 29.700 -0.079 0.000 0.745 236 E HN 0.401 nan 8.360 nan 0.000 0.458 237 M N -0.091 119.451 119.600 -0.096 0.000 2.175 237 M HA -0.144 4.337 4.480 0.001 0.000 0.264 237 M C 1.869 178.116 176.300 -0.087 0.000 1.063 237 M CA 1.314 56.541 55.300 -0.122 0.000 1.119 237 M CB -0.152 32.404 32.600 -0.073 0.000 1.377 237 M HN 0.112 nan 8.290 nan 0.000 0.415 238 E N 0.064 120.256 120.200 -0.012 0.000 2.072 238 E HA -0.206 4.145 4.350 0.001 0.000 0.191 238 E C 2.032 178.638 176.600 0.010 0.000 0.985 238 E CA 1.053 57.477 56.400 0.041 0.000 0.801 238 E CB -0.063 29.703 29.700 0.109 0.000 0.750 238 E HN 0.571 nan 8.360 nan 0.000 0.452 239 Q N 0.346 120.130 119.800 -0.027 0.000 2.084 239 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 239 Q C 2.159 178.104 176.000 -0.091 0.000 0.978 239 Q CA 1.210 56.990 55.803 -0.038 0.000 0.844 239 Q CB -0.060 28.656 28.738 -0.037 0.000 0.898 239 Q HN 0.129 nan 8.270 nan 0.000 0.426 240 R N 0.106 120.480 120.500 -0.211 0.000 2.115 240 R HA -0.031 4.309 4.340 0.001 0.000 0.226 240 R C 2.219 178.397 176.300 -0.203 0.000 1.100 240 R CA 0.725 56.584 56.100 -0.402 0.000 0.980 240 R CB -0.134 29.555 30.300 -1.018 0.000 0.875 240 R HN 0.212 nan 8.270 nan 0.000 0.445 241 L N 0.498 121.625 121.223 -0.161 0.000 2.046 241 L HA -0.190 4.150 4.340 0.001 0.000 0.208 241 L C 2.570 179.239 176.870 -0.335 0.000 1.077 241 L CA 1.436 56.197 54.840 -0.132 0.000 0.747 241 L CB -0.353 41.713 42.059 0.013 0.000 0.896 241 L HN 0.280 nan 8.230 nan 0.000 0.432 242 E N -0.095 119.931 120.200 -0.291 0.000 2.077 242 E HA -0.210 4.140 4.350 0.001 0.000 0.193 242 E C 2.221 178.686 176.600 -0.225 0.000 0.989 242 E CA 1.431 57.601 56.400 -0.383 0.000 0.800 242 E CB 0.114 29.755 29.700 -0.099 0.000 0.746 242 E HN 0.236 nan 8.360 nan 0.000 0.452 243 V N 1.285 121.164 119.914 -0.058 0.000 2.332 243 V HA -0.287 3.834 4.120 0.001 0.000 0.248 243 V C 2.425 178.554 176.094 0.058 0.000 1.055 243 V CA 1.639 63.974 62.300 0.058 0.000 1.038 243 V CB -0.432 31.524 31.823 0.223 0.000 0.651 243 V HN 0.351 nan 8.190 nan 0.000 0.450 244 L N -0.083 121.179 121.223 0.065 0.000 2.017 244 L HA -0.172 4.168 4.340 0.001 0.000 0.208 244 L C 2.769 179.617 176.870 -0.037 0.000 1.073 244 L CA 1.709 56.584 54.840 0.058 0.000 0.745 244 L CB -0.931 41.160 42.059 0.054 0.000 0.894 244 L HN 0.362 nan 8.230 nan 0.000 0.432 245 A N 0.009 122.711 122.820 -0.198 0.000 1.883 245 A HA -0.250 4.070 4.320 0.001 0.000 0.217 245 A C 1.916 179.454 177.584 -0.076 0.000 1.186 245 A CA 2.156 54.077 52.037 -0.194 0.000 0.624 245 A CB -0.612 18.070 19.000 -0.530 0.000 0.822 245 A HN 0.369 nan 8.150 nan 0.000 0.444 246 D N -0.083 120.268 120.400 -0.082 0.000 2.144 246 D HA -0.089 4.552 4.640 0.001 0.000 0.199 246 D C 1.645 177.952 176.300 0.012 0.000 0.984 246 D CA 0.928 54.917 54.000 -0.017 0.000 0.834 246 D CB -0.278 40.515 40.800 -0.011 0.000 0.955 246 D HN 0.452 nan 8.370 nan 0.000 0.465 247 L N -0.627 120.609 121.223 0.023 0.000 2.599 247 L HA 0.150 4.491 4.340 0.001 0.000 0.230 247 L C 1.411 178.309 176.870 0.047 0.000 1.141 247 L CA 0.357 55.221 54.840 0.041 0.000 0.877 247 L CB -0.171 41.924 42.059 0.060 0.000 1.009 247 L HN 0.131 nan 8.230 nan 0.000 0.447 248 G N 0.521 109.345 108.800 0.041 0.000 2.153 248 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 248 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 248 G C 0.322 175.260 174.900 0.064 0.000 0.994 248 G CA -0.009 45.121 45.100 0.050 0.000 0.698 248 G HN 0.247 nan 8.290 nan 0.000 0.521 249 L N -1.186 120.083 121.223 0.078 0.000 2.474 249 L HA 0.346 4.686 4.340 0.001 0.000 0.259 249 L C 1.793 178.699 176.870 0.060 0.000 1.232 249 L CA 0.404 55.311 54.840 0.111 0.000 0.821 249 L CB 0.391 42.557 42.059 0.178 0.000 1.108 249 L HN 0.158 nan 8.230 nan 0.000 0.495 250 K N -1.119 119.316 120.400 0.058 0.000 2.399 250 K HA 0.198 4.518 4.320 0.001 0.000 0.196 250 K C -0.291 176.138 176.600 -0.286 0.000 1.103 250 K CA 0.062 56.298 56.287 -0.085 0.000 0.986 250 K CB 0.500 32.971 32.500 -0.048 0.000 0.952 250 K HN 0.451 nan 8.250 nan 0.000 0.541 251 H N -0.501 118.528 119.070 -0.068 0.000 2.622 251 H HA 0.563 5.120 4.556 0.001 0.000 0.363 251 H C -1.387 173.843 175.328 -0.163 0.000 1.151 251 H CA -0.746 55.224 56.048 -0.130 0.000 1.184 251 H CB 2.089 31.837 29.762 -0.023 0.000 1.643 251 H HN 0.109 nan 8.280 nan 0.000 0.531 252 A N 3.398 126.190 122.820 -0.047 0.000 2.332 252 A HA 0.402 4.722 4.320 0.001 0.000 0.300 252 A C -0.616 176.913 177.584 -0.092 0.000 1.153 252 A CA -0.718 51.271 52.037 -0.081 0.000 0.764 252 A CB 0.593 19.555 19.000 -0.064 0.000 1.174 252 A HN 0.737 nan 8.150 nan 0.000 0.467 253 M N 3.777 123.315 119.600 -0.103 0.000 2.216 253 M HA 0.639 5.119 4.480 0.001 0.000 0.356 253 M C -1.645 174.606 176.300 -0.082 0.000 1.205 253 M CA -0.100 55.161 55.300 -0.065 0.000 1.122 253 M CB 0.841 33.434 32.600 -0.013 0.000 1.571 253 M HN 0.377 nan 8.290 nan 0.000 0.464 254 V N 3.969 123.820 119.914 -0.105 0.000 2.686 254 V HA 0.271 4.391 4.120 0.001 0.000 0.306 254 V C -1.148 174.855 176.094 -0.152 0.000 1.065 254 V CA -0.953 61.269 62.300 -0.131 0.000 0.894 254 V CB 2.128 33.864 31.823 -0.145 0.000 1.004 254 V HN 0.758 nan 8.190 nan 0.000 0.424 255 D N 3.337 123.656 120.400 -0.136 0.000 2.416 255 D HA 0.109 4.749 4.640 0.001 0.000 0.240 255 D C 1.318 177.510 176.300 -0.181 0.000 1.250 255 D CA 0.100 54.022 54.000 -0.131 0.000 0.967 255 D CB 1.416 42.150 40.800 -0.110 0.000 1.059 255 D HN 0.487 nan 8.370 nan 0.000 0.512 256 V N 0.748 120.488 119.914 -0.290 0.000 2.343 256 V HA -0.227 3.894 4.120 0.001 0.000 0.247 256 V C 1.925 177.824 176.094 -0.324 0.000 1.051 256 V CA 1.000 63.049 62.300 -0.417 0.000 1.036 256 V CB -0.737 30.552 31.823 -0.890 0.000 0.654 256 V HN 0.290 nan 8.190 nan 0.000 0.451 257 V N 0.426 120.212 119.914 -0.214 0.000 2.358 257 V HA -0.159 3.961 4.120 0.001 0.000 0.246 257 V C 2.522 178.566 176.094 -0.085 0.000 1.047 257 V CA 2.396 64.651 62.300 -0.075 0.000 1.035 257 V CB -0.544 31.326 31.823 0.079 0.000 0.658 257 V HN 0.458 nan 8.190 nan 0.000 0.452 258 I N -0.094 120.433 120.570 -0.072 0.000 2.202 258 I HA -0.213 3.958 4.170 0.001 0.000 0.242 258 I C 2.583 178.653 176.117 -0.078 0.000 1.091 258 I CA 1.715 62.982 61.300 -0.054 0.000 1.368 258 I CB -0.646 37.325 38.000 -0.048 0.000 1.058 258 I HN 0.285 nan 8.210 nan 0.000 0.410 259 T N 0.427 114.917 114.554 -0.107 0.000 2.699 259 T HA -0.040 4.310 4.350 0.001 0.000 0.268 259 T C 0.960 175.601 174.700 -0.098 0.000 1.036 259 T CA 1.328 63.371 62.100 -0.094 0.000 1.147 259 T CB -0.637 68.168 68.868 -0.104 0.000 0.862 259 T HN 0.699 nan 8.240 nan 0.000 0.446 260 G N -0.638 108.048 108.800 -0.191 0.000 2.707 260 G HA2 -0.154 3.807 3.960 0.001 0.000 0.686 260 G HA3 -0.154 3.807 3.960 0.001 0.000 0.686 260 G C 0.116 174.894 174.900 -0.203 0.000 1.315 260 G CA -0.256 44.693 45.100 -0.253 0.000 0.832 260 G HN 0.407 nan 8.290 nan 0.000 0.573 261 W N 0.716 122.071 121.300 0.091 0.000 2.595 261 W HA 0.246 4.907 4.660 0.001 0.000 0.257 261 W C 2.419 178.985 176.519 0.079 0.000 1.267 261 W CA 0.788 58.190 57.345 0.094 0.000 1.300 261 W CB -0.094 29.405 29.460 0.065 0.000 1.120 261 W HN 0.933 nan 8.180 nan 0.000 0.618 262 G N 0.755 109.692 108.800 0.230 0.000 2.421 262 G HA2 -0.114 3.846 3.960 0.001 0.000 0.216 262 G HA3 -0.114 3.846 3.960 0.001 0.000 0.216 262 G C 1.464 176.442 174.900 0.130 0.000 1.171 262 G CA 1.346 46.539 45.100 0.154 0.000 0.775 262 G HN 0.289 nan 8.290 nan 0.000 0.543 263 A N -0.998 121.895 122.820 0.123 0.000 2.545 263 A HA 0.555 4.875 4.320 0.001 0.000 0.263 263 A C 1.731 179.420 177.584 0.176 0.000 1.202 263 A CA -0.061 52.067 52.037 0.151 0.000 0.959 263 A CB 0.133 19.212 19.000 0.131 0.000 1.124 263 A HN 0.248 nan 8.150 nan 0.000 0.543 264 L N 0.466 121.778 121.223 0.148 0.000 2.046 264 L HA -0.044 4.296 4.340 0.001 0.000 0.208 264 L C 2.302 179.258 176.870 0.143 0.000 1.077 264 L CA 2.355 57.268 54.840 0.122 0.000 0.747 264 L CB -0.587 41.553 42.059 0.135 0.000 0.896 264 L HN 0.530 nan 8.230 nan 0.000 0.432 265 R N -2.112 118.502 120.500 0.189 0.000 2.075 265 R HA -0.250 4.091 4.340 0.001 0.000 0.232 265 R C 2.415 178.797 176.300 0.138 0.000 1.126 265 R CA 1.698 57.898 56.100 0.167 0.000 0.963 265 R CB -0.591 29.809 30.300 0.167 0.000 0.858 265 R HN 0.472 nan 8.270 nan 0.000 0.435 266 Y N 0.948 121.275 120.300 0.046 0.000 2.145 266 Y HA -0.213 4.337 4.550 0.001 0.000 0.286 266 Y C 1.844 177.755 175.900 0.018 0.000 1.145 266 Y CA 1.491 59.605 58.100 0.022 0.000 1.148 266 Y CB -0.161 38.309 38.460 0.017 0.000 0.981 266 Y HN 0.020 nan 8.280 nan 0.000 0.507 267 I N 0.846 121.369 120.570 -0.078 0.000 2.264 267 I HA -0.281 3.890 4.170 0.001 0.000 0.248 267 I C 2.622 178.657 176.117 -0.137 0.000 1.111 267 I CA 1.508 62.711 61.300 -0.162 0.000 1.382 267 I CB -1.250 36.729 38.000 -0.034 0.000 1.060 267 I HN 0.313 nan 8.210 nan 0.000 0.418 268 R N 1.314 121.782 120.500 -0.053 0.000 2.075 268 R HA -0.172 4.168 4.340 0.001 0.000 0.232 268 R C 1.625 177.899 176.300 -0.043 0.000 1.126 268 R CA 1.665 57.754 56.100 -0.018 0.000 0.963 268 R CB -0.433 29.894 30.300 0.045 0.000 0.858 268 R HN 0.295 nan 8.270 nan 0.000 0.435 269 D N 0.883 121.237 120.400 -0.076 0.000 2.117 269 D HA -0.162 4.479 4.640 0.001 0.000 0.197 269 D C 1.907 178.098 176.300 -0.180 0.000 0.987 269 D CA 0.788 54.730 54.000 -0.097 0.000 0.829 269 D CB -0.235 40.522 40.800 -0.072 0.000 0.961 269 D HN 0.127 nan 8.370 nan 0.000 0.460 270 L N 1.071 122.108 121.223 -0.311 0.000 1.994 270 L HA -0.082 4.259 4.340 0.001 0.000 0.208 270 L C 2.216 178.971 176.870 -0.191 0.000 1.071 270 L CA 1.753 56.376 54.840 -0.363 0.000 0.745 270 L CB -0.990 40.796 42.059 -0.455 0.000 0.892 270 L HN -0.018 nan 8.230 nan 0.000 0.431 271 A N -0.710 122.082 122.820 -0.047 0.000 1.917 271 A HA -0.208 4.113 4.320 0.001 0.000 0.219 271 A C 2.436 180.075 177.584 0.092 0.000 1.182 271 A CA 2.147 54.231 52.037 0.079 0.000 0.633 271 A CB -1.169 17.848 19.000 0.028 0.000 0.819 271 A HN 0.571 nan 8.150 nan 0.000 0.448 272 A N 0.072 122.912 122.820 0.034 0.000 1.845 272 A HA -0.205 4.116 4.320 0.001 0.000 0.215 272 A C 1.783 179.374 177.584 0.012 0.000 1.195 272 A CA 1.899 53.971 52.037 0.058 0.000 0.616 272 A CB -0.799 18.209 19.000 0.014 0.000 0.832 272 A HN 0.446 nan 8.150 nan 0.000 0.443 273 D N -1.230 119.109 120.400 -0.102 0.000 2.172 273 D HA -0.189 4.452 4.640 0.001 0.000 0.196 273 D C 1.440 177.676 176.300 -0.108 0.000 0.999 273 D CA 1.512 55.410 54.000 -0.171 0.000 0.856 273 D CB -0.375 40.218 40.800 -0.346 0.000 0.934 273 D HN 0.601 nan 8.370 nan 0.000 0.453 274 Y N -0.364 119.945 120.300 0.015 0.000 2.544 274 Y HA 0.242 4.792 4.550 0.001 0.000 0.286 274 Y C 1.836 177.773 175.900 0.062 0.000 1.141 274 Y CA 0.430 58.547 58.100 0.027 0.000 1.299 274 Y CB -0.052 38.413 38.460 0.009 0.000 1.030 274 Y HN 0.027 nan 8.280 nan 0.000 0.543 275 G N 0.860 109.803 108.800 0.239 0.000 2.225 275 G HA2 -0.270 3.690 3.960 0.001 0.000 0.264 275 G HA3 -0.270 3.690 3.960 0.001 0.000 0.264 275 G C -0.368 174.704 174.900 0.287 0.000 1.060 275 G CA 0.035 45.321 45.100 0.311 0.000 0.833 275 G HN 0.265 nan 8.290 nan 0.000 0.498 276 L N 0.122 121.446 121.223 0.168 0.000 2.307 276 L HA 0.760 5.101 4.340 0.001 0.000 0.284 276 L C 0.899 177.596 176.870 -0.289 0.000 1.023 276 L CA -0.672 54.111 54.840 -0.096 0.000 0.810 276 L CB 1.831 43.877 42.059 -0.023 0.000 1.231 276 L HN 0.330 nan 8.230 nan 0.000 0.423 277 A N 4.559 126.905 122.820 -0.791 0.000 2.407 277 A HA 0.600 4.920 4.320 0.001 0.000 0.248 277 A C -0.274 177.127 177.584 -0.306 0.000 1.082 277 A CA -0.199 51.388 52.037 -0.751 0.000 0.785 277 A CB 0.091 18.413 19.000 -1.130 0.000 1.020 277 A HN 0.661 nan 8.150 nan 0.000 0.489 278 I N 1.769 122.250 120.570 -0.148 0.000 2.339 278 I HA 0.202 4.372 4.170 0.001 0.000 0.290 278 I C -0.204 175.840 176.117 -0.122 0.000 0.994 278 I CA -0.302 60.936 61.300 -0.103 0.000 1.191 278 I CB 1.242 39.196 38.000 -0.077 0.000 1.343 278 I HN 0.790 nan 8.210 nan 0.000 0.458 279 H N 5.000 123.892 119.070 -0.297 0.000 2.556 279 H HA 0.543 5.100 4.556 0.001 0.000 0.310 279 H C 0.031 175.201 175.328 -0.264 0.000 1.057 279 H CA -0.411 55.384 56.048 -0.422 0.000 1.264 279 H CB 1.285 30.532 29.762 -0.859 0.000 1.404 279 H HN 0.678 nan 8.280 nan 0.000 0.462 280 G N 4.657 113.094 108.800 -0.605 0.000 2.347 280 G HA2 0.146 4.107 3.960 0.001 0.000 0.314 280 G HA3 0.146 4.107 3.960 0.001 0.000 0.314 280 G C -1.033 173.573 174.900 -0.490 0.000 1.126 280 G CA -0.431 44.380 45.100 -0.481 0.000 0.929 280 G HN 0.734 nan 8.290 nan 0.000 0.441 281 H N 2.446 121.239 119.070 -0.462 0.000 2.473 281 H HA 0.257 4.814 4.556 0.001 0.000 0.327 281 H C 0.795 175.889 175.328 -0.390 0.000 1.105 281 H CA -0.543 55.207 56.048 -0.497 0.000 1.280 281 H CB 1.476 31.015 29.762 -0.372 0.000 1.450 281 H HN 0.650 nan 8.280 nan 0.000 0.492 282 R N 2.916 123.133 120.500 -0.471 0.000 2.515 282 R HA 0.424 4.765 4.340 0.001 0.000 0.294 282 R C 0.304 176.613 176.300 0.015 0.000 1.021 282 R CA -0.406 55.554 56.100 -0.233 0.000 1.081 282 R CB 0.171 30.259 30.300 -0.354 0.000 1.263 282 R HN 0.363 nan 8.270 nan 0.000 0.557 283 A N 1.814 124.742 122.820 0.181 0.000 2.598 283 A HA 0.042 4.363 4.320 0.001 0.000 0.239 283 A C 0.934 178.551 177.584 0.055 0.000 1.032 283 A CA 1.148 53.287 52.037 0.169 0.000 0.760 283 A CB -0.236 18.850 19.000 0.143 0.000 0.946 283 A HN 0.861 nan 8.150 nan 0.000 0.512 284 M N 0.606 120.196 119.600 -0.016 0.000 3.023 284 M HA -0.291 4.189 4.480 0.001 0.000 0.214 284 M C 0.948 177.111 176.300 -0.227 0.000 0.575 284 M CA 1.946 57.201 55.300 -0.076 0.000 0.820 284 M CB -2.109 30.497 32.600 0.011 0.000 2.925 284 M HN 1.280 nan 8.290 nan 0.000 0.297 285 H N -0.257 118.638 119.070 -0.291 0.000 2.352 285 H HA 0.240 4.796 4.556 0.001 0.000 0.299 285 H C 1.713 176.562 175.328 -0.800 0.000 1.097 285 H CA 2.114 57.776 56.048 -0.643 0.000 1.311 285 H CB -0.679 28.854 29.762 -0.382 0.000 1.377 285 H HN 0.509 nan 8.280 nan 0.000 0.504 286 A N 1.066 123.087 122.820 -1.332 0.000 2.225 286 A HA 0.120 4.440 4.320 0.001 0.000 0.215 286 A C 2.517 179.832 177.584 -0.449 0.000 1.164 286 A CA 0.995 52.512 52.037 -0.866 0.000 0.710 286 A CB -1.103 17.470 19.000 -0.712 0.000 0.780 286 A HN 0.741 nan 8.150 nan 0.000 0.473 287 A N -0.591 121.982 122.820 -0.411 0.000 2.067 287 A HA 0.148 4.468 4.320 0.001 0.000 0.219 287 A C 1.471 179.044 177.584 -0.019 0.000 1.158 287 A CA 1.493 53.444 52.037 -0.143 0.000 0.661 287 A CB -0.526 18.467 19.000 -0.011 0.000 0.801 287 A HN 1.176 nan 8.150 nan 0.000 0.452 288 F N -3.335 116.587 119.950 -0.048 0.000 2.915 288 F HA 0.225 4.752 4.527 0.001 0.000 0.347 288 F C 1.354 177.141 175.800 -0.022 0.000 1.104 288 F CA 0.553 58.524 58.000 -0.047 0.000 1.126 288 F CB -0.453 38.492 39.000 -0.092 0.000 1.145 288 F HN 0.020 nan 8.300 nan 0.000 0.541 289 T N -2.827 111.604 114.554 -0.206 0.000 3.022 289 T HA 0.190 4.540 4.350 0.001 0.000 0.250 289 T C 1.762 176.476 174.700 0.024 0.000 1.060 289 T CA 0.414 62.506 62.100 -0.014 0.000 1.013 289 T CB -0.080 68.792 68.868 0.007 0.000 0.982 289 T HN 0.360 nan 8.240 nan 0.000 0.508 290 R N 1.286 121.771 120.500 -0.025 0.000 2.127 290 R HA 0.152 4.493 4.340 0.001 0.000 0.217 290 R C 0.552 176.877 176.300 0.041 0.000 1.074 290 R CA 0.255 56.357 56.100 0.003 0.000 0.991 290 R CB -0.053 30.223 30.300 -0.041 0.000 0.895 290 R HN 0.235 nan 8.270 nan 0.000 0.450 291 N N 1.300 120.043 118.700 0.071 0.000 2.405 291 N HA 0.041 4.781 4.740 0.001 0.000 0.260 291 N C -2.098 173.472 175.510 0.100 0.000 1.152 291 N CA -1.863 51.257 53.050 0.118 0.000 0.948 291 N CB 1.671 40.266 38.487 0.181 0.000 1.111 291 N HN -0.001 nan 8.380 nan 0.000 0.485 292 P HA -0.003 nan 4.420 nan 0.000 0.230 292 P C -0.043 177.138 177.300 -0.198 0.000 1.158 292 P CA 1.042 64.055 63.100 -0.145 0.000 0.769 292 P CB 0.054 31.581 31.700 -0.288 0.000 0.807 293 Y N -2.734 117.649 120.300 0.138 0.000 2.481 293 Y HA 0.312 4.863 4.550 0.001 0.000 0.247 293 Y C 0.517 176.580 175.900 0.271 0.000 1.151 293 Y CA -0.145 58.063 58.100 0.180 0.000 1.238 293 Y CB 0.225 38.776 38.460 0.152 0.000 1.179 293 Y HN -0.017 nan 8.280 nan 0.000 0.524 294 H N -0.986 118.230 119.070 0.242 0.000 3.129 294 H HA 0.542 5.098 4.556 0.001 0.000 0.342 294 H C 0.024 175.445 175.328 0.154 0.000 1.092 294 H CA -0.196 55.985 56.048 0.221 0.000 1.310 294 H CB 1.045 30.921 29.762 0.190 0.000 1.932 294 H HN 0.242 nan 8.280 nan 0.000 0.507 295 G N 2.442 111.030 108.800 -0.353 0.000 2.337 295 G HA2 -0.046 3.915 3.960 0.001 0.000 0.197 295 G HA3 -0.046 3.915 3.960 0.001 0.000 0.197 295 G C -1.420 173.410 174.900 -0.116 0.000 1.238 295 G CA -0.369 44.516 45.100 -0.359 0.000 1.119 295 G HN 0.647 nan 8.290 nan 0.000 0.514 296 I N 1.146 121.748 120.570 0.053 0.000 2.436 296 I HA 0.509 4.680 4.170 0.001 0.000 0.289 296 I C 0.665 176.936 176.117 0.257 0.000 1.010 296 I CA -0.657 60.751 61.300 0.179 0.000 1.098 296 I CB 1.925 39.992 38.000 0.112 0.000 1.266 296 I HN 0.595 nan 8.210 nan 0.000 0.434 297 S N 4.562 120.375 115.700 0.188 0.000 2.564 297 S HA 0.084 4.554 4.470 0.001 0.000 0.278 297 S C 1.063 175.744 174.600 0.136 0.000 1.333 297 S CA -0.481 57.824 58.200 0.175 0.000 1.048 297 S CB 0.713 64.031 63.200 0.197 0.000 0.900 297 S HN 0.646 nan 8.310 nan 0.000 0.505 298 M N 5.259 124.881 119.600 0.037 0.000 2.267 298 M HA -0.033 4.448 4.480 0.001 0.000 0.263 298 M C 1.217 177.275 176.300 -0.404 0.000 1.063 298 M CA 1.642 56.784 55.300 -0.264 0.000 1.090 298 M CB -0.919 31.338 32.600 -0.572 0.000 1.392 298 M HN 0.847 nan 8.290 nan 0.000 0.422 299 F N -0.786 119.026 119.950 -0.229 0.000 2.126 299 F HA -0.202 4.325 4.527 0.001 0.000 0.299 299 F C 1.824 177.535 175.800 -0.148 0.000 1.096 299 F CA 1.682 59.622 58.000 -0.100 0.000 1.255 299 F CB -0.229 38.835 39.000 0.107 0.000 0.997 299 F HN -0.023 nan 8.300 nan 0.000 0.479 300 V N 0.566 120.554 119.914 0.124 0.000 2.307 300 V HA -0.299 3.821 4.120 0.001 0.000 0.245 300 V C 2.393 178.396 176.094 -0.152 0.000 1.045 300 V CA 1.824 64.115 62.300 -0.015 0.000 1.024 300 V CB -0.666 31.159 31.823 0.003 0.000 0.651 300 V HN 0.342 nan 8.190 nan 0.000 0.449 301 L N 0.170 121.319 121.223 -0.122 0.000 2.012 301 L HA -0.202 4.138 4.340 0.001 0.000 0.210 301 L C 2.807 179.507 176.870 -0.284 0.000 1.073 301 L CA 1.728 56.434 54.840 -0.223 0.000 0.748 301 L CB -0.975 41.059 42.059 -0.042 0.000 0.891 301 L HN 0.376 nan 8.230 nan 0.000 0.431 302 A N 0.308 122.965 122.820 -0.272 0.000 1.892 302 A HA -0.300 4.020 4.320 0.001 0.000 0.218 302 A C 2.422 179.866 177.584 -0.233 0.000 1.188 302 A CA 2.339 54.220 52.037 -0.261 0.000 0.631 302 A CB -0.563 18.179 19.000 -0.431 0.000 0.822 302 A HN 0.383 nan 8.150 nan 0.000 0.447 303 K N -0.334 119.885 120.400 -0.301 0.000 2.002 303 K HA -0.091 4.229 4.320 0.001 0.000 0.209 303 K C 1.974 178.468 176.600 -0.177 0.000 1.048 303 K CA 1.544 57.708 56.287 -0.205 0.000 0.930 303 K CB -0.360 31.994 32.500 -0.243 0.000 0.714 303 K HN 0.478 nan 8.250 nan 0.000 0.438 304 L N 0.059 121.134 121.223 -0.247 0.000 2.042 304 L HA -0.211 4.130 4.340 0.001 0.000 0.210 304 L C 2.487 179.322 176.870 -0.058 0.000 1.076 304 L CA 1.291 55.997 54.840 -0.222 0.000 0.749 304 L CB -0.666 41.239 42.059 -0.256 0.000 0.893 304 L HN 0.233 nan 8.230 nan 0.000 0.432 305 Y N -0.187 120.144 120.300 0.052 0.000 2.293 305 Y HA -0.179 4.371 4.550 0.001 0.000 0.291 305 Y C 2.775 178.660 175.900 -0.025 0.000 1.137 305 Y CA 0.930 59.045 58.100 0.025 0.000 1.202 305 Y CB -0.638 37.797 38.460 -0.042 0.000 0.990 305 Y HN 0.123 nan 8.280 nan 0.000 0.537 306 R N 0.299 120.839 120.500 0.067 0.000 2.062 306 R HA -0.112 4.228 4.340 0.001 0.000 0.229 306 R C 2.068 178.379 176.300 0.018 0.000 1.128 306 R CA 1.175 57.273 56.100 -0.002 0.000 0.960 306 R CB -0.489 29.745 30.300 -0.110 0.000 0.855 306 R HN 0.314 nan 8.270 nan 0.000 0.432 307 L N 0.688 121.885 121.223 -0.044 0.000 2.012 307 L HA -0.231 4.110 4.340 0.001 0.000 0.210 307 L C 2.537 179.441 176.870 0.056 0.000 1.073 307 L CA 1.435 56.179 54.840 -0.160 0.000 0.748 307 L CB -0.421 41.163 42.059 -0.792 0.000 0.891 307 L HN 0.301 nan 8.230 nan 0.000 0.431 308 I N -0.578 120.074 120.570 0.137 0.000 2.208 308 I HA -0.214 3.957 4.170 0.001 0.000 0.245 308 I C 1.446 177.693 176.117 0.216 0.000 1.097 308 I CA 1.508 62.995 61.300 0.313 0.000 1.363 308 I CB -0.367 37.834 38.000 0.335 0.000 1.051 308 I HN 0.536 nan 8.210 nan 0.000 0.413 309 G N 0.526 109.415 108.800 0.148 0.000 2.165 309 G HA2 -0.083 3.877 3.960 0.001 0.000 0.144 309 G HA3 -0.083 3.877 3.960 0.001 0.000 0.144 309 G C -0.012 174.931 174.900 0.071 0.000 1.049 309 G CA -0.758 44.405 45.100 0.106 0.000 0.741 309 G HN 0.050 nan 8.290 nan 0.000 0.493 310 I N 1.966 122.568 120.570 0.053 0.000 2.505 310 I HA 0.163 4.333 4.170 0.001 0.000 0.287 310 I C 0.983 177.092 176.117 -0.013 0.000 1.104 310 I CA -0.201 61.090 61.300 -0.015 0.000 1.387 310 I CB 0.564 38.519 38.000 -0.074 0.000 1.404 310 I HN 0.091 nan 8.210 nan 0.000 0.528 311 D N 4.957 125.353 120.400 -0.006 0.000 2.117 311 D HA -0.102 4.539 4.640 0.001 0.000 0.198 311 D C 0.403 176.730 176.300 0.044 0.000 0.982 311 D CA 1.420 55.445 54.000 0.040 0.000 0.828 311 D CB 0.479 41.312 40.800 0.056 0.000 0.967 311 D HN 0.616 nan 8.370 nan 0.000 0.464 312 Q N -0.060 119.716 119.800 -0.041 0.000 2.323 312 Q HA 0.583 4.923 4.340 0.001 0.000 0.271 312 Q C -1.343 174.521 176.000 -0.228 0.000 1.048 312 Q CA -0.618 55.151 55.803 -0.057 0.000 0.792 312 Q CB 3.070 31.784 28.738 -0.040 0.000 1.280 312 Q HN -0.053 nan 8.270 nan 0.000 0.441 313 L N 1.557 122.677 121.223 -0.171 0.000 2.436 313 L HA 0.447 4.787 4.340 0.001 0.000 0.268 313 L C -1.371 175.407 176.870 -0.155 0.000 0.974 313 L CA -0.423 54.295 54.840 -0.203 0.000 0.826 313 L CB 1.504 43.474 42.059 -0.149 0.000 1.291 313 L HN 0.633 nan 8.230 nan 0.000 0.406 314 H N 2.925 121.803 119.070 -0.319 0.000 2.928 314 H HA 0.311 4.868 4.556 0.001 0.000 0.338 314 H C 0.922 176.118 175.328 -0.220 0.000 1.047 314 H CA 0.907 56.807 56.048 -0.246 0.000 1.435 314 H CB 1.070 30.625 29.762 -0.344 0.000 1.428 314 H HN 0.462 nan 8.280 nan 0.000 0.590 315 V N 0.104 119.994 119.914 -0.041 0.000 3.398 315 V HA 0.538 4.658 4.120 0.001 0.000 0.298 315 V C 0.994 177.152 176.094 0.106 0.000 1.496 315 V CA 0.356 62.668 62.300 0.020 0.000 1.044 315 V CB -0.251 31.641 31.823 0.114 0.000 0.880 315 V HN 1.094 nan 8.190 nan 0.000 0.443 316 G N 1.462 110.291 108.800 0.049 0.000 2.631 316 G HA2 0.031 3.991 3.960 0.001 0.000 0.504 316 G HA3 0.031 3.991 3.960 0.001 0.000 0.504 316 G C 0.056 174.984 174.900 0.047 0.000 1.306 316 G CA 0.202 45.343 45.100 0.068 0.000 0.897 316 G HN 1.424 nan 8.290 nan 0.000 0.520 317 T N -2.730 111.846 114.554 0.037 0.000 3.313 317 T HA 0.688 5.038 4.350 0.001 0.000 0.263 317 T C 1.266 175.967 174.700 0.002 0.000 0.983 317 T CA 1.355 63.460 62.100 0.010 0.000 0.963 317 T CB 0.342 69.207 68.868 -0.005 0.000 1.141 317 T HN 2.606 nan 8.240 nan 0.000 0.526 318 A N 0.383 123.206 122.820 0.005 0.000 2.580 318 A HA 0.094 4.414 4.320 0.001 0.000 0.302 318 A C 1.846 179.425 177.584 -0.009 0.000 1.494 318 A CA 0.983 53.013 52.037 -0.012 0.000 0.822 318 A CB -2.172 16.816 19.000 -0.020 0.000 1.016 318 A HN 2.374 nan 8.150 nan 0.000 0.429 319 G N -3.348 105.454 108.800 0.002 0.000 2.143 319 G HA2 0.088 4.048 3.960 0.001 0.000 0.248 319 G HA3 0.088 4.048 3.960 0.001 0.000 0.248 319 G C 0.980 175.880 174.900 -0.001 0.000 0.991 319 G CA 1.215 46.317 45.100 0.004 0.000 0.689 319 G HN 2.351 nan 8.290 nan 0.000 0.522 320 A N -0.934 121.879 122.820 -0.011 0.000 2.303 320 A HA 0.727 5.048 4.320 0.001 0.000 0.217 320 A C 1.490 179.051 177.584 -0.039 0.000 1.205 320 A CA 1.541 53.561 52.037 -0.028 0.000 0.875 320 A CB 0.236 19.207 19.000 -0.048 0.000 0.910 320 A HN 1.682 nan 8.150 nan 0.000 0.501 321 G N -0.357 108.431 108.800 -0.021 0.000 3.107 321 G HA2 0.424 4.385 3.960 0.001 0.000 0.232 321 G HA3 0.424 4.385 3.960 0.001 0.000 0.232 321 G C 0.521 175.423 174.900 0.004 0.000 1.339 321 G CA 0.100 45.188 45.100 -0.020 0.000 1.033 321 G HN 0.224 nan 8.290 nan 0.000 0.567 322 K N -1.115 119.291 120.400 0.010 0.000 2.459 322 K HA 0.248 4.568 4.320 0.001 0.000 0.193 322 K C 0.122 176.738 176.600 0.028 0.000 1.030 322 K CA 0.255 56.554 56.287 0.020 0.000 1.026 322 K CB -0.089 32.424 32.500 0.021 0.000 0.809 322 K HN 0.184 nan 8.250 nan 0.000 0.504 323 L N 2.289 123.532 121.223 0.034 0.000 2.322 323 L HA 0.276 4.616 4.340 0.001 0.000 0.281 323 L C 0.199 177.098 176.870 0.048 0.000 1.014 323 L CA -1.072 53.795 54.840 0.044 0.000 0.815 323 L CB 1.705 43.802 42.059 0.064 0.000 1.247 323 L HN 0.160 nan 8.230 nan 0.000 0.421 324 E N 2.247 122.473 120.200 0.044 0.000 2.534 324 E HA 0.189 4.539 4.350 0.001 0.000 0.264 324 E C -0.166 176.477 176.600 0.071 0.000 0.981 324 E CA 0.629 57.058 56.400 0.047 0.000 0.948 324 E CB 0.903 30.625 29.700 0.038 0.000 0.934 324 E HN 0.804 nan 8.360 nan 0.000 0.459 325 G N 1.953 110.789 108.800 0.060 0.000 1.837 325 G HA2 0.341 4.302 3.960 0.001 0.000 0.207 325 G HA3 0.341 4.302 3.960 0.001 0.000 0.207 325 G C -0.360 174.558 174.900 0.030 0.000 1.659 325 G CA -0.113 45.030 45.100 0.072 0.000 0.956 325 G HN 0.665 nan 8.290 nan 0.000 0.655 326 E N 2.216 122.421 120.200 0.008 0.000 2.392 326 E HA 0.565 4.915 4.350 0.001 0.000 0.259 326 E C 1.378 177.951 176.600 -0.044 0.000 1.108 326 E CA 0.348 56.739 56.400 -0.016 0.000 0.916 326 E CB 0.789 30.477 29.700 -0.021 0.000 0.989 326 E HN 0.877 nan 8.360 nan 0.000 0.432 327 R N 0.456 120.935 120.500 -0.036 0.000 2.109 327 R HA -0.198 4.142 4.340 0.001 0.000 0.227 327 R C 2.416 178.672 176.300 -0.073 0.000 1.132 327 R CA 3.036 59.109 56.100 -0.044 0.000 0.907 327 R CB -1.099 29.186 30.300 -0.026 0.000 0.825 327 R HN 0.847 nan 8.270 nan 0.000 0.432 328 D N 0.828 121.194 120.400 -0.056 0.000 2.149 328 D HA -0.197 4.443 4.640 0.001 0.000 0.194 328 D C 1.997 178.226 176.300 -0.118 0.000 1.001 328 D CA 1.999 55.965 54.000 -0.057 0.000 0.849 328 D CB -0.589 40.199 40.800 -0.021 0.000 0.939 328 D HN 0.469 nan 8.370 nan 0.000 0.449 329 I N 0.412 120.881 120.570 -0.168 0.000 2.226 329 I HA -0.184 3.986 4.170 0.001 0.000 0.245 329 I C 2.910 178.584 176.117 -0.738 0.000 1.100 329 I CA 1.724 62.819 61.300 -0.342 0.000 1.374 329 I CB -0.407 37.439 38.000 -0.257 0.000 1.057 329 I HN 0.222 nan 8.210 nan 0.000 0.413 330 T N 1.177 115.437 114.554 -0.489 0.000 2.746 330 T HA -0.177 4.174 4.350 0.001 0.000 0.267 330 T C 1.847 176.366 174.700 -0.301 0.000 1.039 330 T CA 1.218 63.064 62.100 -0.424 0.000 1.142 330 T CB -0.314 68.487 68.868 -0.110 0.000 0.866 330 T HN 0.184 nan 8.240 nan 0.000 0.444 331 L N 1.592 122.702 121.223 -0.188 0.000 2.127 331 L HA 0.069 4.410 4.340 0.001 0.000 0.211 331 L C 2.430 179.260 176.870 -0.068 0.000 1.089 331 L CA 1.852 56.640 54.840 -0.086 0.000 0.757 331 L CB -1.182 40.851 42.059 -0.044 0.000 0.899 331 L HN 0.275 nan 8.230 nan 0.000 0.434 332 G N -1.073 107.635 108.800 -0.154 0.000 2.422 332 G HA2 -0.271 3.689 3.960 0.001 0.000 0.218 332 G HA3 -0.271 3.689 3.960 0.001 0.000 0.218 332 G C 1.292 176.189 174.900 -0.006 0.000 1.146 332 G CA 0.909 45.999 45.100 -0.018 0.000 0.769 332 G HN 0.416 nan 8.290 nan 0.000 0.547 333 F N 0.768 120.675 119.950 -0.072 0.000 2.163 333 F HA 0.034 4.561 4.527 0.001 0.000 0.297 333 F C 2.818 178.506 175.800 -0.188 0.000 1.094 333 F CA -0.208 57.667 58.000 -0.209 0.000 1.290 333 F CB -1.179 37.733 39.000 -0.147 0.000 1.017 333 F HN -0.028 nan 8.300 nan 0.000 0.483 334 V N 0.458 120.412 119.914 0.066 0.000 2.287 334 V HA -0.295 3.826 4.120 0.001 0.000 0.248 334 V C 2.131 178.213 176.094 -0.020 0.000 1.053 334 V CA 2.218 64.525 62.300 0.013 0.000 1.027 334 V CB -0.615 31.217 31.823 0.015 0.000 0.646 334 V HN 0.186 nan 8.190 nan 0.000 0.447 335 D N -0.260 120.156 120.400 0.025 0.000 2.123 335 D HA -0.151 4.490 4.640 0.001 0.000 0.196 335 D C 1.905 178.224 176.300 0.032 0.000 0.992 335 D CA 1.070 55.124 54.000 0.089 0.000 0.833 335 D CB -0.328 40.620 40.800 0.247 0.000 0.954 335 D HN 0.328 nan 8.370 nan 0.000 0.455 336 L N 0.223 121.363 121.223 -0.137 0.000 2.201 336 L HA -0.041 4.300 4.340 0.001 0.000 0.212 336 L C 1.944 178.548 176.870 -0.443 0.000 1.105 336 L CA 1.154 55.755 54.840 -0.399 0.000 0.775 336 L CB -0.131 41.472 42.059 -0.760 0.000 0.913 336 L HN 0.028 nan 8.230 nan 0.000 0.440 337 L N -1.792 119.243 121.223 -0.313 0.000 2.354 337 L HA 0.038 4.378 4.340 0.001 0.000 0.212 337 L C 2.317 178.999 176.870 -0.313 0.000 1.091 337 L CA 0.425 55.076 54.840 -0.316 0.000 0.828 337 L CB -0.152 41.798 42.059 -0.183 0.000 0.973 337 L HN 0.162 nan 8.230 nan 0.000 0.461 338 R N -0.547 119.812 120.500 -0.236 0.000 2.221 338 R HA 0.144 4.485 4.340 0.001 0.000 0.195 338 R C 0.212 176.412 176.300 -0.165 0.000 0.956 338 R CA -0.075 55.909 56.100 -0.193 0.000 1.064 338 R CB 0.355 30.573 30.300 -0.136 0.000 1.049 338 R HN 0.267 nan 8.270 nan 0.000 0.534 339 E N 1.227 121.353 120.200 -0.122 0.000 2.354 339 E HA -0.002 4.349 4.350 0.001 0.000 0.269 339 E C 0.595 177.184 176.600 -0.018 0.000 1.036 339 E CA -0.005 56.386 56.400 -0.016 0.000 0.876 339 E CB 1.307 31.076 29.700 0.116 0.000 1.009 339 E HN 0.126 nan 8.360 nan 0.000 0.416 340 S N 2.012 117.749 115.700 0.062 0.000 2.446 340 S HA -0.114 4.357 4.470 0.001 0.000 0.225 340 S C 0.578 175.313 174.600 0.225 0.000 1.016 340 S CA 0.486 58.758 58.200 0.120 0.000 0.943 340 S CB 0.002 63.248 63.200 0.077 0.000 0.786 340 S HN 0.645 nan 8.310 nan 0.000 0.508 341 H N -0.039 119.106 119.070 0.125 0.000 2.953 341 H HA 0.415 4.971 4.556 0.001 0.000 0.290 341 H C -1.568 173.865 175.328 0.176 0.000 1.113 341 H CA -1.082 55.038 56.048 0.121 0.000 1.454 341 H CB 0.527 30.300 29.762 0.018 0.000 1.525 341 H HN 0.360 nan 8.280 nan 0.000 0.505 342 Y N 4.381 124.857 120.300 0.292 0.000 2.316 342 Y HA 0.492 5.043 4.550 0.001 0.000 0.331 342 Y C -1.025 175.046 175.900 0.285 0.000 1.083 342 Y CA -0.264 58.002 58.100 0.276 0.000 1.206 342 Y CB 0.359 39.006 38.460 0.312 0.000 1.195 342 Y HN 0.650 nan 8.280 nan 0.000 0.497 343 K N 7.653 127.707 120.400 -0.577 0.000 2.541 343 K HA 0.542 4.862 4.320 0.001 0.000 0.250 343 K C -3.284 172.914 176.600 -0.670 0.000 0.950 343 K CA -1.820 54.195 56.287 -0.453 0.000 0.805 343 K CB 0.762 33.186 32.500 -0.126 0.000 1.166 343 K HN 0.615 nan 8.250 nan 0.000 0.430 344 P HA 0.265 nan 4.420 nan 0.000 0.274 344 P C -0.949 176.301 177.300 -0.083 0.000 1.237 344 P CA -0.308 62.686 63.100 -0.177 0.000 0.793 344 P CB 0.568 32.326 31.700 0.098 0.000 0.977 345 D N 0.911 121.301 120.400 -0.016 0.000 2.419 345 D HA -0.055 4.585 4.640 0.001 0.000 0.236 345 D C 1.327 177.611 176.300 -0.026 0.000 1.165 345 D CA 0.119 54.109 54.000 -0.017 0.000 0.882 345 D CB 0.455 41.260 40.800 0.009 0.000 1.201 345 D HN 0.444 nan 8.370 nan 0.000 0.443 346 E N 0.970 121.149 120.200 -0.035 0.000 2.171 346 E HA -0.206 4.144 4.350 0.001 0.000 0.197 346 E C 1.126 177.690 176.600 -0.060 0.000 0.997 346 E CA 1.260 57.633 56.400 -0.045 0.000 0.810 346 E CB 0.003 29.679 29.700 -0.039 0.000 0.738 346 E HN 0.428 nan 8.360 nan 0.000 0.467 347 N N 0.096 118.767 118.700 -0.049 0.000 2.398 347 N HA -0.081 4.659 4.740 0.001 0.000 0.188 347 N C -0.258 175.197 175.510 -0.092 0.000 1.122 347 N CA 0.247 53.257 53.050 -0.067 0.000 0.866 347 N CB -0.091 38.375 38.487 -0.035 0.000 0.970 347 N HN 0.008 nan 8.380 nan 0.000 0.462 348 D N 1.431 121.792 120.400 -0.064 0.000 2.352 348 D HA 0.031 4.671 4.640 0.001 0.000 0.245 348 D C 1.158 177.331 176.300 -0.212 0.000 1.224 348 D CA -0.316 53.651 54.000 -0.055 0.000 0.879 348 D CB 1.332 42.180 40.800 0.080 0.000 1.057 348 D HN 0.033 nan 8.370 nan 0.000 0.491 349 V N 1.989 121.630 119.914 -0.456 0.000 3.649 349 V HA 0.181 4.302 4.120 0.001 0.000 0.275 349 V C 0.958 176.640 176.094 -0.687 0.000 1.281 349 V CA 0.337 62.254 62.300 -0.638 0.000 1.143 349 V CB -0.915 30.407 31.823 -0.835 0.000 0.892 349 V HN 0.287 nan 8.190 nan 0.000 0.441 350 F N 0.479 120.195 119.950 -0.389 0.000 2.559 350 F HA 0.434 4.961 4.527 0.001 0.000 0.286 350 F C 1.235 176.644 175.800 -0.651 0.000 1.108 350 F CA -0.164 57.479 58.000 -0.596 0.000 1.436 350 F CB -0.130 38.310 39.000 -0.932 0.000 1.130 350 F HN 0.296 nan 8.300 nan 0.000 0.584 351 H N -0.321 118.716 119.070 -0.056 0.000 2.621 351 H HA 0.662 5.219 4.556 0.001 0.000 0.360 351 H C -0.665 174.689 175.328 0.044 0.000 1.163 351 H CA -0.878 55.082 56.048 -0.147 0.000 1.194 351 H CB 1.890 31.441 29.762 -0.352 0.000 1.649 351 H HN -0.174 nan 8.280 nan 0.000 0.532 352 L N 0.720 122.102 121.223 0.265 0.000 2.322 352 L HA 0.318 4.659 4.340 0.001 0.000 0.269 352 L C 0.326 177.410 176.870 0.356 0.000 1.012 352 L CA -0.926 54.041 54.840 0.211 0.000 0.815 352 L CB 1.805 43.927 42.059 0.105 0.000 1.295 352 L HN 0.635 nan 8.230 nan 0.000 0.438 353 E N 1.605 121.926 120.200 0.201 0.000 2.414 353 E HA 0.045 4.395 4.350 0.001 0.000 0.263 353 E C -0.937 175.837 176.600 0.290 0.000 1.000 353 E CA -0.051 56.482 56.400 0.221 0.000 0.914 353 E CB 0.781 30.550 29.700 0.115 0.000 0.948 353 E HN 0.403 nan 8.360 nan 0.000 0.444 354 Q N 3.412 123.389 119.800 0.294 0.000 2.275 354 Q HA 0.246 4.586 4.340 0.001 0.000 0.258 354 Q C -1.772 174.121 176.000 -0.178 0.000 0.960 354 Q CA -0.604 55.262 55.803 0.105 0.000 0.801 354 Q CB 1.189 29.944 28.738 0.028 0.000 1.302 354 Q HN 0.354 nan 8.270 nan 0.000 0.433 355 K N 3.294 123.468 120.400 -0.376 0.000 2.174 355 K HA 0.314 4.634 4.320 0.001 0.000 0.275 355 K C -0.340 175.986 176.600 -0.458 0.000 1.015 355 K CA -0.151 55.813 56.287 -0.538 0.000 0.933 355 K CB 0.721 32.717 32.500 -0.841 0.000 1.025 355 K HN 0.606 nan 8.250 nan 0.000 0.463 356 F N 1.056 120.882 119.950 -0.206 0.000 2.706 356 F HA 0.098 4.625 4.527 0.001 0.000 0.308 356 F C 0.150 176.019 175.800 0.115 0.000 1.095 356 F CA -0.243 57.751 58.000 -0.010 0.000 1.244 356 F CB -0.043 38.945 39.000 -0.020 0.000 1.063 356 F HN 0.641 nan 8.300 nan 0.000 0.582 357 Y N -0.493 119.889 120.300 0.136 0.000 2.835 357 Y HA -0.515 4.036 4.550 0.001 0.000 0.470 357 Y C 2.320 178.278 175.900 0.096 0.000 1.154 357 Y CA 1.339 59.493 58.100 0.090 0.000 2.680 357 Y CB -1.835 36.654 38.460 0.048 0.000 1.184 357 Y HN 0.023 nan 8.280 nan 0.000 0.622 358 S N 0.477 116.347 115.700 0.283 0.000 2.558 358 S HA 0.177 4.648 4.470 0.001 0.000 0.217 358 S C 0.458 175.138 174.600 0.133 0.000 0.975 358 S CA 0.283 58.578 58.200 0.159 0.000 0.912 358 S CB -0.113 63.155 63.200 0.114 0.000 0.776 358 S HN 0.313 nan 8.310 nan 0.000 0.526 359 I N 3.696 124.376 120.570 0.183 0.000 2.845 359 I HA 0.036 4.206 4.170 0.001 0.000 0.290 359 I C 0.756 176.916 176.117 0.072 0.000 1.202 359 I CA 0.397 61.790 61.300 0.155 0.000 1.406 359 I CB -0.511 37.647 38.000 0.263 0.000 1.383 359 I HN 0.305 nan 8.210 nan 0.000 0.549 360 K N 4.562 124.981 120.400 0.031 0.000 2.336 360 K HA 0.328 4.648 4.320 0.001 0.000 0.262 360 K C 0.321 176.875 176.600 -0.077 0.000 0.992 360 K CA -0.442 55.836 56.287 -0.015 0.000 0.927 360 K CB 0.530 33.028 32.500 -0.004 0.000 0.956 360 K HN 0.733 nan 8.250 nan 0.000 0.495 361 A N 1.268 124.021 122.820 -0.111 0.000 2.401 361 A HA 0.442 4.762 4.320 0.001 0.000 0.259 361 A C -0.165 177.329 177.584 -0.150 0.000 1.103 361 A CA -0.319 51.613 52.037 -0.176 0.000 0.789 361 A CB 0.378 19.265 19.000 -0.188 0.000 1.035 361 A HN 0.720 nan 8.150 nan 0.000 0.491 362 A N 1.571 124.296 122.820 -0.158 0.000 2.293 362 A HA 0.642 4.963 4.320 0.001 0.000 0.302 362 A C -0.619 176.931 177.584 -0.058 0.000 1.119 362 A CA -0.392 51.596 52.037 -0.082 0.000 0.823 362 A CB 0.199 19.150 19.000 -0.081 0.000 1.097 362 A HN 0.750 nan 8.150 nan 0.000 0.491 363 F N 2.590 122.502 119.950 -0.063 0.000 2.413 363 F HA 0.397 4.924 4.527 0.001 0.000 0.359 363 F C -2.074 173.682 175.800 -0.075 0.000 1.122 363 F CA -2.451 55.519 58.000 -0.050 0.000 1.160 363 F CB 1.038 40.024 39.000 -0.023 0.000 1.146 363 F HN 0.257 nan 8.300 nan 0.000 0.514 364 P HA 0.123 nan 4.420 nan 0.000 0.271 364 P C -0.840 176.495 177.300 0.058 0.000 1.216 364 P CA 0.036 63.193 63.100 0.093 0.000 0.771 364 P CB 0.633 32.378 31.700 0.075 0.000 0.864 365 T N 1.730 116.233 114.554 -0.085 0.000 2.786 365 T HA 0.345 4.696 4.350 0.001 0.000 0.283 365 T C -0.280 174.290 174.700 -0.217 0.000 0.992 365 T CA -0.365 61.610 62.100 -0.209 0.000 0.954 365 T CB 0.607 69.200 68.868 -0.459 0.000 0.934 365 T HN 0.122 nan 8.240 nan 0.000 0.440 366 S N 2.671 118.304 115.700 -0.112 0.000 2.429 366 S HA 0.720 5.191 4.470 0.001 0.000 0.302 366 S C -0.435 174.141 174.600 -0.041 0.000 1.115 366 S CA -0.435 57.731 58.200 -0.058 0.000 1.095 366 S CB 0.502 63.692 63.200 -0.017 0.000 0.987 366 S HN 0.740 nan 8.310 nan 0.000 0.474 367 S N 3.156 118.854 115.700 -0.003 0.000 2.596 367 S HA 0.791 5.262 4.470 0.001 0.000 0.270 367 S C -0.560 174.086 174.600 0.076 0.000 1.155 367 S CA 0.292 58.528 58.200 0.060 0.000 0.827 367 S CB 1.215 64.502 63.200 0.146 0.000 1.130 367 S HN 1.913 nan 8.310 nan 0.000 0.467 368 G N 0.804 109.644 108.800 0.067 0.000 2.662 368 G HA2 0.444 4.404 3.960 0.001 0.000 0.558 368 G HA3 0.444 4.404 3.960 0.001 0.000 0.558 368 G C 0.991 175.894 174.900 0.005 0.000 1.081 368 G CA 0.465 45.597 45.100 0.053 0.000 1.261 368 G HN 2.238 nan 8.290 nan 0.000 0.559 369 G N -0.362 108.428 108.800 -0.017 0.000 2.147 369 G HA2 -0.150 3.810 3.960 0.001 0.000 0.244 369 G HA3 -0.150 3.810 3.960 0.001 0.000 0.244 369 G C 0.578 175.404 174.900 -0.123 0.000 1.005 369 G CA 0.617 45.682 45.100 -0.058 0.000 0.713 369 G HN 1.399 nan 8.290 nan 0.000 0.515 370 L N 0.205 121.350 121.223 -0.130 0.000 2.421 370 L HA 0.788 5.128 4.340 0.001 0.000 0.263 370 L C 0.802 177.529 176.870 -0.239 0.000 1.122 370 L CA -0.659 54.057 54.840 -0.207 0.000 0.804 370 L CB 1.155 43.141 42.059 -0.123 0.000 1.150 370 L HN 0.640 nan 8.230 nan 0.000 0.457 371 H N -0.627 118.309 119.070 -0.223 0.000 2.948 371 H HA 0.337 4.894 4.556 0.001 0.000 0.315 371 H C -2.744 172.497 175.328 -0.144 0.000 1.360 371 H CA -1.791 54.082 56.048 -0.290 0.000 1.125 371 H CB 0.442 29.850 29.762 -0.589 0.000 1.844 371 H HN 0.081 nan 8.280 nan 0.000 0.529 372 P HA -0.050 nan 4.420 nan 0.000 0.216 372 P C 1.287 178.690 177.300 0.170 0.000 1.150 372 P CA 2.572 65.750 63.100 0.130 0.000 0.843 372 P CB -0.166 31.617 31.700 0.137 0.000 0.787 373 G N -0.668 108.450 108.800 0.531 0.000 3.210 373 G HA2 -0.061 3.900 3.960 0.001 0.000 0.220 373 G HA3 -0.061 3.900 3.960 0.001 0.000 0.220 373 G C 0.513 175.473 174.900 0.100 0.000 1.200 373 G CA 0.052 45.276 45.100 0.207 0.000 0.834 373 G HN 0.363 nan 8.290 nan 0.000 0.524 374 N N -0.430 118.108 118.700 -0.269 0.000 2.261 374 N HA -0.008 4.732 4.740 0.001 0.000 0.241 374 N C 0.875 176.269 175.510 -0.193 0.000 1.374 374 N CA -0.298 52.583 53.050 -0.283 0.000 0.802 374 N CB -0.939 37.213 38.487 -0.557 0.000 1.339 374 N HN 0.386 nan 8.380 nan 0.000 0.498 375 I N -4.655 115.842 120.570 -0.123 0.000 3.928 375 I HA 0.373 4.543 4.170 0.001 0.000 0.335 375 I C 1.586 177.675 176.117 -0.047 0.000 1.325 375 I CA 0.040 61.288 61.300 -0.086 0.000 1.107 375 I CB 0.059 38.006 38.000 -0.088 0.000 1.014 375 I HN 0.085 nan 8.210 nan 0.000 0.400 376 Q N 2.881 122.669 119.800 -0.020 0.000 2.036 376 Q HA 0.085 4.425 4.340 0.001 0.000 0.195 376 Q C -0.222 175.773 176.000 -0.009 0.000 0.971 376 Q CA 1.365 57.166 55.803 -0.005 0.000 0.826 376 Q CB -2.494 26.262 28.738 0.029 0.000 0.896 376 Q HN 0.508 nan 8.270 nan 0.000 0.449 377 P HA -0.072 nan 4.420 nan 0.000 0.225 377 P C 1.160 178.451 177.300 -0.016 0.000 1.148 377 P CA 1.220 64.315 63.100 -0.009 0.000 0.779 377 P CB 0.073 31.769 31.700 -0.006 0.000 0.780 378 V N 0.276 120.176 119.914 -0.023 0.000 2.300 378 V HA -0.119 4.001 4.120 0.001 0.000 0.241 378 V C 2.625 178.711 176.094 -0.013 0.000 1.034 378 V CA 1.225 63.512 62.300 -0.022 0.000 1.021 378 V CB -0.813 30.991 31.823 -0.032 0.000 0.662 378 V HN -0.032 nan 8.190 nan 0.000 0.458 379 I N 0.690 121.251 120.570 -0.015 0.000 2.493 379 I HA -0.171 3.999 4.170 0.001 0.000 0.254 379 I C 2.900 179.013 176.117 -0.006 0.000 1.160 379 I CA 1.481 62.776 61.300 -0.008 0.000 1.445 379 I CB -0.791 37.199 38.000 -0.016 0.000 1.086 379 I HN 0.503 nan 8.210 nan 0.000 0.433 380 E N 1.495 121.689 120.200 -0.010 0.000 2.051 380 E HA -0.163 4.188 4.350 0.001 0.000 0.192 380 E C 2.340 178.936 176.600 -0.006 0.000 0.991 380 E CA 1.602 57.997 56.400 -0.008 0.000 0.799 380 E CB -0.713 28.982 29.700 -0.008 0.000 0.748 380 E HN 0.601 nan 8.360 nan 0.000 0.449 381 A N -0.065 122.750 122.820 -0.008 0.000 1.898 381 A HA 0.236 4.557 4.320 0.001 0.000 0.214 381 A C 2.382 179.963 177.584 -0.005 0.000 1.183 381 A CA 1.315 53.347 52.037 -0.008 0.000 0.622 381 A CB -0.068 18.924 19.000 -0.014 0.000 0.824 381 A HN 0.413 nan 8.150 nan 0.000 0.444 382 L N -1.326 119.897 121.223 -0.001 0.000 2.477 382 L HA 0.316 4.656 4.340 0.001 0.000 0.220 382 L C 1.334 178.213 176.870 0.015 0.000 1.106 382 L CA 0.349 55.193 54.840 0.007 0.000 0.851 382 L CB -0.845 41.222 42.059 0.014 0.000 0.994 382 L HN 0.624 nan 8.230 nan 0.000 0.462 383 G N 0.713 109.520 108.800 0.012 0.000 2.698 383 G HA2 -0.291 3.669 3.960 0.001 0.000 0.225 383 G HA3 -0.291 3.669 3.960 0.001 0.000 0.225 383 G C 0.488 175.406 174.900 0.031 0.000 1.345 383 G CA -0.026 45.083 45.100 0.016 0.000 0.871 383 G HN 0.194 nan 8.290 nan 0.000 0.540 384 T N -3.189 111.386 114.554 0.036 0.000 3.057 384 T HA 0.232 4.582 4.350 0.001 0.000 0.254 384 T C 0.780 175.547 174.700 0.112 0.000 1.094 384 T CA 1.388 63.522 62.100 0.057 0.000 1.088 384 T CB 0.246 69.139 68.868 0.041 0.000 0.934 384 T HN 0.390 nan 8.240 nan 0.000 0.497 385 D N 2.720 123.176 120.400 0.094 0.000 2.688 385 D HA 0.358 4.998 4.640 0.001 0.000 0.228 385 D C 0.032 176.509 176.300 0.295 0.000 1.116 385 D CA -0.123 53.953 54.000 0.125 0.000 1.023 385 D CB -0.414 40.345 40.800 -0.069 0.000 1.100 385 D HN 0.753 nan 8.370 nan 0.000 0.487 386 I N -3.052 117.786 120.570 0.447 0.000 3.006 386 I HA 0.510 4.680 4.170 0.001 0.000 0.306 386 I C -1.008 175.187 176.117 0.129 0.000 1.250 386 I CA -1.200 60.313 61.300 0.355 0.000 0.996 386 I CB 2.034 40.123 38.000 0.148 0.000 1.261 386 I HN -0.371 nan 8.210 nan 0.000 0.442 387 V N 4.829 124.697 119.914 -0.076 0.000 2.407 387 V HA 0.430 4.550 4.120 0.001 0.000 0.278 387 V C 0.089 176.180 176.094 -0.005 0.000 1.037 387 V CA -0.405 61.792 62.300 -0.172 0.000 0.900 387 V CB 1.333 32.969 31.823 -0.312 0.000 0.983 387 V HN 0.476 nan 8.190 nan 0.000 0.459 388 L N 4.825 126.096 121.223 0.080 0.000 2.295 388 L HA 0.562 4.903 4.340 0.001 0.000 0.285 388 L C -0.060 176.909 176.870 0.165 0.000 1.035 388 L CA -0.240 54.663 54.840 0.105 0.000 0.806 388 L CB 1.469 43.592 42.059 0.108 0.000 1.214 388 L HN 0.525 nan 8.230 nan 0.000 0.426 389 Q N 4.201 124.076 119.800 0.124 0.000 2.327 389 Q HA 0.443 4.783 4.340 0.001 0.000 0.270 389 Q C -1.759 174.290 176.000 0.083 0.000 1.022 389 Q CA -0.745 55.134 55.803 0.127 0.000 0.773 389 Q CB 1.910 30.766 28.738 0.197 0.000 1.251 389 Q HN 0.428 nan 8.270 nan 0.000 0.457 390 L N 3.964 125.231 121.223 0.073 0.000 2.401 390 L HA 0.483 4.823 4.340 0.001 0.000 0.263 390 L C 0.892 177.775 176.870 0.022 0.000 1.004 390 L CA -0.195 54.679 54.840 0.056 0.000 0.881 390 L CB 1.642 43.767 42.059 0.110 0.000 1.219 390 L HN 0.760 nan 8.230 nan 0.000 0.441 391 G N 1.584 110.389 108.800 0.008 0.000 2.535 391 G HA2 0.111 4.071 3.960 0.001 0.000 0.210 391 G HA3 0.111 4.071 3.960 0.001 0.000 0.210 391 G C 1.293 176.191 174.900 -0.004 0.000 1.593 391 G CA 0.536 45.642 45.100 0.009 0.000 0.948 391 G HN 0.686 nan 8.290 nan 0.000 0.476 392 G N 0.639 109.431 108.800 -0.013 0.000 2.545 392 G HA2 -0.053 3.908 3.960 0.001 0.000 0.222 392 G HA3 -0.053 3.908 3.960 0.001 0.000 0.222 392 G C 1.687 176.515 174.900 -0.120 0.000 1.126 392 G CA 1.517 46.608 45.100 -0.014 0.000 0.754 392 G HN 0.826 nan 8.290 nan 0.000 0.583 393 G N -1.047 107.590 108.800 -0.272 0.000 2.708 393 G HA2 0.130 4.090 3.960 0.001 0.000 0.210 393 G HA3 0.130 4.090 3.960 0.001 0.000 0.210 393 G C 1.465 176.276 174.900 -0.147 0.000 1.141 393 G CA 1.579 46.367 45.100 -0.519 0.000 0.788 393 G HN 0.435 nan 8.290 nan 0.000 0.531 394 T N -0.088 114.488 114.554 0.037 0.000 3.098 394 T HA 0.176 4.526 4.350 0.001 0.000 0.246 394 T C 2.340 177.158 174.700 0.196 0.000 0.983 394 T CA -0.172 62.020 62.100 0.153 0.000 1.094 394 T CB 0.008 68.951 68.868 0.126 0.000 1.035 394 T HN 0.093 nan 8.240 nan 0.000 0.456 395 L N 1.079 122.385 121.223 0.138 0.000 2.027 395 L HA 0.111 4.451 4.340 0.001 0.000 0.206 395 L C 2.963 179.964 176.870 0.218 0.000 1.074 395 L CA 1.440 56.356 54.840 0.127 0.000 0.745 395 L CB -1.027 41.071 42.059 0.064 0.000 0.898 395 L HN 0.364 nan 8.230 nan 0.000 0.433 396 G N -1.463 107.529 108.800 0.320 0.000 2.499 396 G HA2 -0.255 3.705 3.960 0.001 0.000 0.221 396 G HA3 -0.255 3.705 3.960 0.001 0.000 0.221 396 G C 0.776 175.884 174.900 0.346 0.000 1.109 396 G CA 0.130 45.481 45.100 0.418 0.000 0.749 396 G HN 0.382 nan 8.290 nan 0.000 0.568 397 H N 1.955 121.250 119.070 0.375 0.000 3.181 397 H HA -0.063 4.494 4.556 0.001 0.000 0.316 397 H C -0.790 174.495 175.328 -0.072 0.000 0.995 397 H CA -0.141 55.956 56.048 0.082 0.000 1.332 397 H CB 1.292 31.140 29.762 0.144 0.000 1.245 397 H HN 0.093 nan 8.280 nan 0.000 0.592 398 P HA -0.130 nan 4.420 nan 0.000 0.216 398 P C 0.471 177.829 177.300 0.097 0.000 1.153 398 P CA 1.265 64.288 63.100 -0.130 0.000 0.848 398 P CB 0.344 31.868 31.700 -0.293 0.000 0.787 399 D N -0.434 120.184 120.400 0.363 0.000 2.319 399 D HA 0.294 4.934 4.640 0.001 0.000 0.230 399 D C 1.221 177.566 176.300 0.075 0.000 1.094 399 D CA 0.706 54.808 54.000 0.170 0.000 0.856 399 D CB -0.253 40.627 40.800 0.135 0.000 0.915 399 D HN 0.233 nan 8.370 nan 0.000 0.517 400 G N 0.832 109.705 108.800 0.121 0.000 2.707 400 G HA2 -0.196 3.765 3.960 0.001 0.000 0.686 400 G HA3 -0.196 3.765 3.960 0.001 0.000 0.686 400 G C -2.086 172.809 174.900 -0.007 0.000 1.315 400 G CA -0.822 44.303 45.100 0.042 0.000 0.832 400 G HN -0.098 nan 8.290 nan 0.000 0.573 401 P HA -0.097 nan 4.420 nan 0.000 0.213 401 P C 2.431 179.681 177.300 -0.085 0.000 1.170 401 P CA 3.250 66.337 63.100 -0.021 0.000 0.902 401 P CB -0.149 31.528 31.700 -0.038 0.000 0.789 402 A N 0.048 122.807 122.820 -0.102 0.000 1.896 402 A HA -0.290 4.031 4.320 0.001 0.000 0.220 402 A C 2.385 179.873 177.584 -0.160 0.000 1.206 402 A CA 3.008 54.974 52.037 -0.120 0.000 0.647 402 A CB -1.778 17.158 19.000 -0.107 0.000 0.828 402 A HN 0.232 nan 8.150 nan 0.000 0.455 403 A N -0.846 121.827 122.820 -0.245 0.000 1.883 403 A HA 0.092 4.413 4.320 0.001 0.000 0.217 403 A C 2.520 179.807 177.584 -0.495 0.000 1.186 403 A CA 2.187 53.985 52.037 -0.400 0.000 0.624 403 A CB -1.573 17.079 19.000 -0.580 0.000 0.822 403 A HN 0.921 nan 8.150 nan 0.000 0.444 404 G N -0.412 108.069 108.800 -0.531 0.000 2.476 404 G HA2 -0.085 3.876 3.960 0.001 0.000 0.218 404 G HA3 -0.085 3.876 3.960 0.001 0.000 0.218 404 G C 1.805 176.695 174.900 -0.017 0.000 1.164 404 G CA 1.849 46.873 45.100 -0.127 0.000 0.768 404 G HN 0.889 nan 8.290 nan 0.000 0.560 405 A N 0.796 123.615 122.820 -0.002 0.000 1.892 405 A HA -0.117 4.203 4.320 0.001 0.000 0.218 405 A C 2.458 180.037 177.584 -0.008 0.000 1.188 405 A CA 1.907 53.996 52.037 0.087 0.000 0.631 405 A CB -0.470 18.562 19.000 0.053 0.000 0.822 405 A HN 0.391 nan 8.150 nan 0.000 0.447 406 R N -0.695 119.775 120.500 -0.051 0.000 2.120 406 R HA -0.043 4.298 4.340 0.001 0.000 0.234 406 R C 2.488 178.761 176.300 -0.045 0.000 1.123 406 R CA 1.002 57.073 56.100 -0.047 0.000 0.975 406 R CB -0.476 29.797 30.300 -0.045 0.000 0.866 406 R HN 0.549 nan 8.270 nan 0.000 0.446 407 A N 0.936 123.733 122.820 -0.039 0.000 1.841 407 A HA -0.150 4.171 4.320 0.001 0.000 0.216 407 A C 2.361 179.906 177.584 -0.065 0.000 1.199 407 A CA 1.667 53.714 52.037 0.017 0.000 0.621 407 A CB -0.869 18.212 19.000 0.135 0.000 0.835 407 A HN 0.096 nan 8.150 nan 0.000 0.445 408 V N 0.488 120.305 119.914 -0.161 0.000 2.278 408 V HA -0.330 3.790 4.120 0.001 0.000 0.251 408 V C 2.794 178.651 176.094 -0.396 0.000 1.062 408 V CA 2.352 64.427 62.300 -0.375 0.000 1.038 408 V CB -0.955 30.356 31.823 -0.853 0.000 0.646 408 V HN 0.461 nan 8.190 nan 0.000 0.447 409 R N 0.563 120.854 120.500 -0.348 0.000 2.083 409 R HA -0.207 4.133 4.340 0.001 0.000 0.237 409 R C 2.429 178.631 176.300 -0.164 0.000 1.137 409 R CA 2.190 58.156 56.100 -0.223 0.000 0.951 409 R CB -0.935 29.299 30.300 -0.109 0.000 0.851 409 R HN 0.889 nan 8.270 nan 0.000 0.434 410 Q N -0.466 119.262 119.800 -0.121 0.000 2.172 410 Q HA 0.071 4.411 4.340 0.001 0.000 0.200 410 Q C 1.843 177.692 176.000 -0.251 0.000 0.964 410 Q CA 1.338 57.073 55.803 -0.114 0.000 0.855 410 Q CB -0.238 28.495 28.738 -0.008 0.000 0.918 410 Q HN 0.208 nan 8.270 nan 0.000 0.444 411 A N 1.389 124.096 122.820 -0.188 0.000 2.015 411 A HA -0.046 4.274 4.320 0.001 0.000 0.219 411 A C 2.053 179.492 177.584 -0.242 0.000 1.163 411 A CA 0.868 52.784 52.037 -0.202 0.000 0.646 411 A CB -0.465 18.468 19.000 -0.112 0.000 0.806 411 A HN 0.407 nan 8.150 nan 0.000 0.448 412 I N -0.353 120.078 120.570 -0.232 0.000 2.406 412 I HA -0.152 4.018 4.170 0.001 0.000 0.249 412 I C 1.488 177.483 176.117 -0.204 0.000 1.122 412 I CA 1.034 62.219 61.300 -0.191 0.000 1.431 412 I CB -0.348 37.553 38.000 -0.164 0.000 1.087 412 I HN 0.187 nan 8.210 nan 0.000 0.424 413 D N 1.378 121.628 120.400 -0.250 0.000 2.178 413 D HA -0.138 4.502 4.640 0.001 0.000 0.201 413 D C 2.217 178.276 176.300 -0.403 0.000 0.980 413 D CA 1.339 55.184 54.000 -0.258 0.000 0.842 413 D CB -0.141 40.534 40.800 -0.208 0.000 0.948 413 D HN 0.322 nan 8.370 nan 0.000 0.472 414 A N 0.974 123.404 122.820 -0.649 0.000 1.873 414 A HA -0.129 4.191 4.320 0.001 0.000 0.215 414 A C 2.128 179.538 177.584 -0.289 0.000 1.186 414 A CA 0.809 52.447 52.037 -0.665 0.000 0.616 414 A CB -0.441 18.125 19.000 -0.724 0.000 0.823 414 A HN 0.110 nan 8.150 nan 0.000 0.442 415 I N -0.298 120.143 120.570 -0.216 0.000 2.286 415 I HA -0.212 3.959 4.170 0.001 0.000 0.248 415 I C 2.399 178.459 176.117 -0.095 0.000 1.115 415 I CA 1.277 62.505 61.300 -0.120 0.000 1.392 415 I CB -1.162 36.781 38.000 -0.095 0.000 1.065 415 I HN 0.301 nan 8.210 nan 0.000 0.418 416 M N 0.331 119.866 119.600 -0.108 0.000 2.254 416 M HA -0.147 4.333 4.480 0.001 0.000 0.265 416 M C 2.414 178.679 176.300 -0.059 0.000 1.066 416 M CA 1.745 57.004 55.300 -0.070 0.000 1.123 416 M CB -1.411 31.151 32.600 -0.064 0.000 1.388 416 M HN 0.487 nan 8.290 nan 0.000 0.425 417 Q N -0.240 119.508 119.800 -0.086 0.000 2.408 417 Q HA 0.392 4.732 4.340 0.001 0.000 0.205 417 Q C 1.520 177.501 176.000 -0.032 0.000 0.919 417 Q CA 1.073 56.847 55.803 -0.048 0.000 0.932 417 Q CB -0.599 28.112 28.738 -0.044 0.000 1.058 417 Q HN 0.726 nan 8.270 nan 0.000 0.517 418 G N 0.194 108.965 108.800 -0.049 0.000 2.147 418 G HA2 -0.194 3.766 3.960 0.001 0.000 0.244 418 G HA3 -0.194 3.766 3.960 0.001 0.000 0.244 418 G C 0.192 175.085 174.900 -0.010 0.000 1.005 418 G CA 0.269 45.353 45.100 -0.026 0.000 0.713 418 G HN 0.694 nan 8.290 nan 0.000 0.515 419 I N 1.488 122.045 120.570 -0.023 0.000 2.307 419 I HA 0.257 4.427 4.170 0.001 0.000 0.287 419 I C -1.743 174.394 176.117 0.034 0.000 1.054 419 I CA -2.296 59.026 61.300 0.036 0.000 1.218 419 I CB 1.126 39.202 38.000 0.127 0.000 1.398 419 I HN -0.158 nan 8.210 nan 0.000 0.475 420 P HA -0.184 nan 4.420 nan 0.000 0.268 420 P C 1.166 178.531 177.300 0.108 0.000 1.171 420 P CA 0.370 63.507 63.100 0.063 0.000 0.761 420 P CB 0.583 32.320 31.700 0.061 0.000 0.786 421 L N 2.683 123.981 121.223 0.125 0.000 2.131 421 L HA -0.170 4.170 4.340 0.001 0.000 0.210 421 L C 1.888 178.876 176.870 0.197 0.000 1.092 421 L CA 2.370 57.307 54.840 0.162 0.000 0.759 421 L CB -1.623 40.556 42.059 0.199 0.000 0.903 421 L HN 0.354 nan 8.230 nan 0.000 0.435 422 D N -0.261 120.250 120.400 0.185 0.000 2.234 422 D HA 0.067 4.707 4.640 0.001 0.000 0.205 422 D C 2.161 178.538 176.300 0.128 0.000 0.962 422 D CA 1.343 55.436 54.000 0.155 0.000 0.855 422 D CB 0.106 40.986 40.800 0.133 0.000 0.951 422 D HN 0.755 nan 8.370 nan 0.000 0.500 423 E N -0.190 120.091 120.200 0.135 0.000 2.489 423 E HA -0.058 4.293 4.350 0.001 0.000 0.193 423 E C 1.314 178.020 176.600 0.176 0.000 1.057 423 E CA 0.039 56.512 56.400 0.122 0.000 0.866 423 E CB -0.554 29.207 29.700 0.101 0.000 0.916 423 E HN 0.411 nan 8.360 nan 0.000 0.500 424 Y N -0.815 119.530 120.300 0.074 0.000 2.558 424 Y HA 0.509 5.059 4.550 0.001 0.000 0.273 424 Y C 2.577 178.580 175.900 0.172 0.000 1.100 424 Y CA 0.685 58.847 58.100 0.103 0.000 1.276 424 Y CB 0.487 38.962 38.460 0.025 0.000 1.196 424 Y HN 0.254 nan 8.280 nan 0.000 0.527 425 A N 0.621 123.576 122.820 0.225 0.000 2.121 425 A HA -0.035 4.285 4.320 0.001 0.000 0.218 425 A C 2.096 179.725 177.584 0.076 0.000 1.154 425 A CA 1.581 53.714 52.037 0.160 0.000 0.679 425 A CB -0.987 18.094 19.000 0.134 0.000 0.795 425 A HN 0.374 nan 8.150 nan 0.000 0.458 426 K N -0.235 120.193 120.400 0.047 0.000 2.362 426 K HA -0.015 4.305 4.320 0.001 0.000 0.200 426 K C 1.357 177.920 176.600 -0.061 0.000 1.046 426 K CA 1.785 58.072 56.287 -0.001 0.000 0.952 426 K CB -1.109 31.394 32.500 0.005 0.000 0.753 426 K HN 0.807 nan 8.250 nan 0.000 0.466 427 T N -2.739 111.747 114.554 -0.113 0.000 3.288 427 T HA 0.367 4.718 4.350 0.001 0.000 0.293 427 T C -0.550 173.780 174.700 -0.617 0.000 1.008 427 T CA -0.432 61.484 62.100 -0.307 0.000 0.929 427 T CB -0.432 68.221 68.868 -0.358 0.000 1.152 427 T HN 0.496 nan 8.240 nan 0.000 0.517 428 H N -0.166 118.814 119.070 -0.149 0.000 3.277 428 H HA 0.580 5.137 4.556 0.001 0.000 0.329 428 H C 1.026 176.342 175.328 -0.020 0.000 1.034 428 H CA -0.369 55.623 56.048 -0.094 0.000 1.530 428 H CB 1.480 31.180 29.762 -0.102 0.000 1.837 428 H HN 0.079 nan 8.280 nan 0.000 0.493 429 K N 2.198 122.633 120.400 0.059 0.000 2.002 429 K HA -0.171 4.149 4.320 0.001 0.000 0.209 429 K C 1.704 178.368 176.600 0.106 0.000 1.048 429 K CA 2.127 58.446 56.287 0.054 0.000 0.930 429 K CB -0.458 32.055 32.500 0.023 0.000 0.714 429 K HN 0.639 nan 8.250 nan 0.000 0.438 430 E N 0.333 120.608 120.200 0.124 0.000 2.065 430 E HA -0.185 4.165 4.350 0.001 0.000 0.201 430 E C 2.440 179.192 176.600 0.254 0.000 1.016 430 E CA 2.194 58.699 56.400 0.176 0.000 0.818 430 E CB -1.041 28.705 29.700 0.076 0.000 0.749 430 E HN 0.505 nan 8.360 nan 0.000 0.453 431 L N 0.862 122.195 121.223 0.183 0.000 1.989 431 L HA -0.014 4.326 4.340 0.001 0.000 0.211 431 L C 2.592 179.524 176.870 0.104 0.000 1.071 431 L CA 2.707 57.642 54.840 0.157 0.000 0.749 431 L CB -1.985 40.184 42.059 0.184 0.000 0.890 431 L HN 0.349 nan 8.230 nan 0.000 0.431 432 A N -0.369 122.504 122.820 0.088 0.000 1.859 432 A HA -0.288 4.033 4.320 0.001 0.000 0.218 432 A C 2.458 180.018 177.584 -0.039 0.000 1.209 432 A CA 2.063 54.117 52.037 0.030 0.000 0.639 432 A CB -0.741 18.273 19.000 0.024 0.000 0.835 432 A HN 0.669 nan 8.150 nan 0.000 0.450 433 R N -0.336 120.134 120.500 -0.050 0.000 2.119 433 R HA -0.199 4.141 4.340 0.001 0.000 0.246 433 R C 2.411 178.469 176.300 -0.404 0.000 1.146 433 R CA 1.606 57.588 56.100 -0.196 0.000 0.962 433 R CB -1.498 28.715 30.300 -0.144 0.000 0.863 433 R HN 0.590 nan 8.270 nan 0.000 0.442 434 A N 1.760 124.362 122.820 -0.362 0.000 1.851 434 A HA -0.155 4.165 4.320 0.001 0.000 0.216 434 A C 2.505 179.932 177.584 -0.261 0.000 1.195 434 A CA 1.414 53.246 52.037 -0.341 0.000 0.622 434 A CB -0.798 18.253 19.000 0.085 0.000 0.831 434 A HN 0.189 nan 8.150 nan 0.000 0.444 435 L N -0.860 120.285 121.223 -0.131 0.000 1.963 435 L HA -0.285 4.055 4.340 0.001 0.000 0.220 435 L C 3.142 179.909 176.870 -0.171 0.000 1.076 435 L CA 2.412 57.171 54.840 -0.134 0.000 0.772 435 L CB -1.321 40.697 42.059 -0.067 0.000 0.892 435 L HN 0.630 nan 8.230 nan 0.000 0.435 436 E N 0.375 120.478 120.200 -0.162 0.000 2.236 436 E HA -0.374 3.977 4.350 0.001 0.000 0.205 436 E C 2.089 178.545 176.600 -0.240 0.000 1.028 436 E CA 2.370 58.672 56.400 -0.163 0.000 0.827 436 E CB -0.727 28.878 29.700 -0.158 0.000 0.735 436 E HN 0.581 nan 8.360 nan 0.000 0.470 437 K N -1.938 118.214 120.400 -0.413 0.000 2.063 437 K HA -0.016 4.305 4.320 0.001 0.000 0.204 437 K C 1.925 178.219 176.600 -0.510 0.000 1.039 437 K CA 0.916 56.839 56.287 -0.605 0.000 0.957 437 K CB -0.007 31.830 32.500 -1.105 0.000 0.764 437 K HN 0.574 nan 8.250 nan 0.000 0.447 438 W N 0.724 121.858 121.300 -0.277 0.000 3.013 438 W HA 0.248 4.908 4.660 0.001 0.000 0.280 438 W C 1.321 177.677 176.519 -0.273 0.000 1.249 438 W CA 0.555 57.693 57.345 -0.345 0.000 1.577 438 W CB -0.397 28.614 29.460 -0.748 0.000 1.057 438 W HN 0.534 nan 8.180 nan 0.000 0.613 439 G N 1.856 110.615 108.800 -0.068 0.000 2.698 439 G HA2 -0.353 3.607 3.960 0.001 0.000 0.337 439 G HA3 -0.353 3.607 3.960 0.001 0.000 0.337 439 G C 0.619 175.437 174.900 -0.136 0.000 1.196 439 G CA 1.451 46.535 45.100 -0.026 0.000 0.965 439 G HN 0.503 nan 8.290 nan 0.000 0.550 440 H N -0.856 118.325 119.070 0.184 0.000 3.124 440 H HA 0.368 4.924 4.556 0.001 0.000 0.250 440 H C 0.389 175.848 175.328 0.219 0.000 1.184 440 H CA 0.208 56.400 56.048 0.240 0.000 1.013 440 H CB 0.450 30.293 29.762 0.134 0.000 1.891 440 H HN 0.347 nan 8.280 nan 0.000 0.687 441 V N 2.150 122.253 119.914 0.316 0.000 2.924 441 V HA 0.292 4.412 4.120 0.001 0.000 0.305 441 V C 1.156 177.377 176.094 0.211 0.000 1.073 441 V CA 0.612 63.047 62.300 0.226 0.000 1.098 441 V CB 1.094 33.027 31.823 0.183 0.000 1.000 441 V HN 0.561 nan 8.190 nan 0.000 0.484 442 T N 4.715 119.341 114.554 0.119 0.000 2.781 442 T HA 0.592 4.942 4.350 0.001 0.000 0.305 442 T C -1.997 172.739 174.700 0.061 0.000 1.001 442 T CA -1.705 60.433 62.100 0.063 0.000 0.950 442 T CB 0.237 69.126 68.868 0.035 0.000 0.955 442 T HN 0.477 nan 8.240 nan 0.000 0.471 443 P HA 0.339 nan 4.420 nan 0.000 0.264 443 P C -0.456 176.867 177.300 0.038 0.000 1.179 443 P CA -0.194 62.936 63.100 0.050 0.000 0.763 443 P CB 0.770 32.486 31.700 0.025 0.000 0.806 444 V N 0.000 119.939 119.914 0.042 0.000 2.409 444 V HA 0.000 4.120 4.120 0.001 0.000 0.244 444 V CA 0.000 62.321 62.300 0.036 0.000 1.235 444 V CB 0.000 31.845 31.823 0.036 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556