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 1odu_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP XXXXXXXXXD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE XXXXXXXXLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.129 176.300 -0.285 0.000 0.893 7 R CA 0.000 55.983 56.100 -0.194 0.000 0.921 7 R CB 0.000 30.252 30.300 -0.079 0.000 0.687 8 Y N 2.018 122.324 120.300 0.010 0.000 2.316 8 Y HA 0.362 4.913 4.550 0.001 0.000 0.331 8 Y C 0.587 176.471 175.900 -0.026 0.000 1.083 8 Y CA -0.198 57.904 58.100 0.004 0.000 1.206 8 Y CB 1.051 39.547 38.460 0.060 0.000 1.195 8 Y HN 0.196 nan 8.280 nan 0.000 0.497 9 K N 4.904 125.350 120.400 0.076 0.000 2.118 9 K HA 0.271 4.592 4.320 0.001 0.000 0.264 9 K C -2.390 174.154 176.600 -0.093 0.000 1.000 9 K CA -1.887 54.391 56.287 -0.015 0.000 0.929 9 K CB 0.491 32.963 32.500 -0.047 0.000 1.021 9 K HN 0.334 nan 8.250 nan 0.000 0.463 10 P HA 0.025 nan 4.420 nan 0.000 0.225 10 P C -1.610 175.337 177.300 -0.588 0.000 1.813 10 P CA 0.110 62.939 63.100 -0.452 0.000 1.013 10 P CB -0.182 31.172 31.700 -0.577 0.000 1.961 11 D N -0.144 119.960 120.400 -0.493 0.000 2.654 11 D HA 0.039 4.679 4.640 0.001 0.000 0.231 11 D C 0.081 176.150 176.300 -0.385 0.000 1.239 11 D CA -0.710 52.956 54.000 -0.556 0.000 0.790 11 D CB 0.188 40.798 40.800 -0.317 0.000 1.480 11 D HN 0.022 nan 8.370 nan 0.000 0.442 12 W N 1.007 122.244 121.300 -0.105 0.000 2.342 12 W HA -0.072 4.588 4.660 0.001 0.000 0.297 12 W C 2.366 178.846 176.519 -0.066 0.000 1.213 12 W CA 0.890 58.184 57.345 -0.085 0.000 1.251 12 W CB -0.044 29.386 29.460 -0.050 0.000 1.136 12 W HN 0.600 nan 8.180 nan 0.000 0.526 13 E N 0.375 120.660 120.200 0.141 0.000 2.085 13 E HA -0.274 4.076 4.350 0.001 0.000 0.194 13 E C 2.350 178.980 176.600 0.049 0.000 0.994 13 E CA 1.767 58.214 56.400 0.078 0.000 0.801 13 E CB -0.305 29.422 29.700 0.045 0.000 0.743 13 E HN 0.133 nan 8.360 nan 0.000 0.453 14 S N -0.190 115.523 115.700 0.021 0.000 2.387 14 S HA -0.063 4.408 4.470 0.001 0.000 0.226 14 S C 1.937 176.603 174.600 0.109 0.000 1.026 14 S CA 0.629 58.854 58.200 0.042 0.000 0.972 14 S CB -0.152 63.054 63.200 0.011 0.000 0.814 14 S HN 0.292 nan 8.310 nan 0.000 0.477 15 L N 1.035 122.273 121.223 0.026 0.000 2.376 15 L HA 0.158 4.498 4.340 0.001 0.000 0.219 15 L C 2.669 179.468 176.870 -0.117 0.000 1.133 15 L CA 0.796 55.577 54.840 -0.099 0.000 0.816 15 L CB -0.388 41.469 42.059 -0.336 0.000 0.933 15 L HN 0.319 nan 8.230 nan 0.000 0.449 16 R N 0.935 121.453 120.500 0.030 0.000 2.152 16 R HA -0.191 4.149 4.340 0.001 0.000 0.232 16 R C 1.902 178.258 176.300 0.094 0.000 1.117 16 R CA 1.307 57.463 56.100 0.094 0.000 0.981 16 R CB -0.072 30.266 30.300 0.063 0.000 0.870 16 R HN 0.378 nan 8.270 nan 0.000 0.451 17 E N -0.353 119.919 120.200 0.121 0.000 2.273 17 E HA -0.207 4.144 4.350 0.001 0.000 0.198 17 E C 0.152 176.856 176.600 0.174 0.000 1.002 17 E CA 0.588 57.071 56.400 0.138 0.000 0.828 17 E CB -0.185 29.606 29.700 0.151 0.000 0.747 17 E HN 0.396 nan 8.360 nan 0.000 0.491 18 H N 1.772 120.877 119.070 0.058 0.000 3.004 18 H HA 0.039 4.596 4.556 0.001 0.000 0.267 18 H C -0.162 175.089 175.328 -0.128 0.000 1.165 18 H CA 0.128 56.068 56.048 -0.180 0.000 1.450 18 H CB 0.063 29.314 29.762 -0.852 0.000 1.488 18 H HN 0.039 nan 8.280 nan 0.000 0.478 19 T N 0.777 115.151 114.554 -0.299 0.000 2.824 19 T HA 0.137 4.488 4.350 0.001 0.000 0.277 19 T C 0.637 175.135 174.700 -0.337 0.000 0.975 19 T CA -0.887 61.086 62.100 -0.211 0.000 0.966 19 T CB 1.493 70.291 68.868 -0.118 0.000 1.054 19 T HN 0.301 nan 8.240 nan 0.000 0.533 20 V N 2.823 122.659 119.914 -0.130 0.000 2.599 20 V HA 0.247 4.368 4.120 0.001 0.000 0.300 20 V C -2.064 173.922 176.094 -0.179 0.000 1.034 20 V CA -1.528 60.714 62.300 -0.097 0.000 1.115 20 V CB 0.009 31.877 31.823 0.075 0.000 0.934 20 V HN 0.845 nan 8.190 nan 0.000 0.485 21 P HA 0.166 nan 4.420 nan 0.000 0.269 21 P C 0.368 177.544 177.300 -0.206 0.000 1.209 21 P CA -0.094 62.880 63.100 -0.211 0.000 0.776 21 P CB 0.425 32.012 31.700 -0.187 0.000 0.876 22 K N 2.017 122.377 120.400 -0.066 0.000 2.063 22 K HA -0.142 4.178 4.320 0.001 0.000 0.208 22 K C 1.975 178.579 176.600 0.006 0.000 1.048 22 K CA 1.643 57.923 56.287 -0.012 0.000 0.928 22 K CB -0.382 32.150 32.500 0.052 0.000 0.713 22 K HN 0.703 nan 8.250 nan 0.000 0.442 23 W N 0.705 122.036 121.300 0.052 0.000 2.342 23 W HA -0.218 4.442 4.660 0.001 0.000 0.297 23 W C 1.571 178.122 176.519 0.054 0.000 1.213 23 W CA 0.509 57.887 57.345 0.055 0.000 1.251 23 W CB -1.007 28.490 29.460 0.061 0.000 1.136 23 W HN -0.030 nan 8.180 nan 0.000 0.526 24 F N 2.935 122.117 119.950 -1.280 0.000 2.163 24 F HA -0.137 4.390 4.527 0.001 0.000 0.297 24 F C 2.284 177.742 175.800 -0.570 0.000 1.094 24 F CA 2.404 59.581 58.000 -1.372 0.000 1.290 24 F CB -0.839 37.203 39.000 -1.596 0.000 1.017 24 F HN -0.122 nan 8.300 nan 0.000 0.483 25 D N -0.053 120.160 120.400 -0.312 0.000 2.144 25 D HA -0.182 4.459 4.640 0.001 0.000 0.199 25 D C 1.845 178.048 176.300 -0.163 0.000 0.984 25 D CA 1.506 55.381 54.000 -0.208 0.000 0.834 25 D CB -0.112 40.647 40.800 -0.069 0.000 0.955 25 D HN 0.299 nan 8.370 nan 0.000 0.465 26 K N -0.351 120.002 120.400 -0.079 0.000 2.361 26 K HA 0.222 4.542 4.320 0.001 0.000 0.196 26 K C 2.009 178.666 176.600 0.095 0.000 1.039 26 K CA 0.495 56.802 56.287 0.033 0.000 1.001 26 K CB 0.260 32.816 32.500 0.094 0.000 0.795 26 K HN 0.102 nan 8.250 nan 0.000 0.495 27 A N 2.008 124.852 122.820 0.040 0.000 1.858 27 A HA -0.228 4.092 4.320 0.001 0.000 0.216 27 A C 0.995 178.735 177.584 0.260 0.000 1.190 27 A CA 1.803 53.964 52.037 0.205 0.000 0.617 27 A CB -0.043 19.093 19.000 0.226 0.000 0.827 27 A HN 0.180 nan 8.150 nan 0.000 0.443 28 K N -3.766 116.667 120.400 0.055 0.000 3.658 28 K HA -0.234 4.087 4.320 0.001 0.000 0.372 28 K C 0.084 176.788 176.600 0.173 0.000 0.598 28 K CA 2.075 58.393 56.287 0.051 0.000 1.635 28 K CB -1.813 30.727 32.500 0.066 0.000 1.178 28 K HN 0.724 nan 8.250 nan 0.000 0.470 29 F N -0.024 119.975 119.950 0.081 0.000 2.561 29 F HA 0.558 5.086 4.527 0.001 0.000 0.313 29 F C 0.001 175.673 175.800 -0.214 0.000 1.126 29 F CA -0.080 57.908 58.000 -0.021 0.000 0.918 29 F CB 2.236 41.263 39.000 0.046 0.000 1.199 29 F HN 0.086 nan 8.300 nan 0.000 0.444 30 G N 5.844 114.019 108.800 -1.043 0.000 2.672 30 G HA2 0.572 4.532 3.960 0.001 0.000 0.292 30 G HA3 0.572 4.532 3.960 0.001 0.000 0.292 30 G C -1.971 172.252 174.900 -1.128 0.000 1.375 30 G CA -0.798 43.389 45.100 -1.520 0.000 0.890 30 G HN 0.502 nan 8.290 nan 0.000 0.476 31 I N 1.308 121.333 120.570 -0.908 0.000 2.339 31 I HA 0.338 4.509 4.170 0.001 0.000 0.290 31 I C -0.711 175.158 176.117 -0.413 0.000 0.994 31 I CA -0.613 60.280 61.300 -0.679 0.000 1.191 31 I CB 1.286 38.691 38.000 -0.991 0.000 1.343 31 I HN 0.218 nan 8.210 nan 0.000 0.458 32 F N 7.154 126.893 119.950 -0.352 0.000 2.389 32 F HA 0.473 5.000 4.527 0.001 0.000 0.337 32 F C 0.307 176.015 175.800 -0.155 0.000 1.112 32 F CA -0.941 56.932 58.000 -0.212 0.000 1.192 32 F CB 0.870 39.795 39.000 -0.126 0.000 1.185 32 F HN 0.200 nan 8.300 nan 0.000 0.552 33 I N 4.749 125.488 120.570 0.282 0.000 2.476 33 I HA 0.134 4.305 4.170 0.001 0.000 0.281 33 I C -1.273 174.946 176.117 0.171 0.000 1.040 33 I CA -0.645 60.750 61.300 0.158 0.000 1.094 33 I CB 1.264 39.375 38.000 0.186 0.000 1.219 33 I HN 0.386 nan 8.210 nan 0.000 0.450 34 H N 5.163 124.212 119.070 -0.035 0.000 2.690 34 H HA 0.353 4.910 4.556 0.002 0.000 0.289 34 H C -1.382 174.125 175.328 0.299 0.000 1.089 34 H CA -0.176 55.886 56.048 0.022 0.000 1.299 34 H CB 0.636 30.320 29.762 -0.130 0.000 1.405 34 H HN 0.503 nan 8.280 nan 0.000 0.463 35 W N 3.657 125.000 121.300 0.072 0.000 3.132 35 W HA 0.554 5.216 4.660 0.004 0.000 0.337 35 W C -0.661 175.612 176.519 -0.411 0.000 1.082 35 W CA -0.774 56.524 57.345 -0.077 0.000 1.242 35 W CB 1.336 30.875 29.460 0.131 0.000 1.354 35 W HN 0.689 nan 8.180 nan 0.000 0.461 36 G N 3.504 111.559 108.800 -1.242 0.000 2.664 36 G HA2 0.264 4.225 3.960 0.001 0.000 0.303 36 G HA3 0.264 4.225 3.960 0.001 0.000 0.303 36 G C 0.312 173.976 174.900 -2.060 0.000 1.243 36 G CA -0.127 44.015 45.100 -1.596 0.000 0.826 36 G HN 0.858 nan 8.290 nan 0.000 0.498 37 I N -1.009 118.611 120.570 -1.584 0.000 2.928 37 I HA 0.067 4.238 4.170 0.001 0.000 0.266 37 I C 2.147 177.758 176.117 -0.843 0.000 1.234 37 I CA 1.069 61.621 61.300 -1.246 0.000 1.483 37 I CB -0.396 37.011 38.000 -0.988 0.000 1.097 37 I HN 0.512 nan 8.210 nan 0.000 0.455 38 Y N 0.864 120.907 120.300 -0.428 0.000 2.497 38 Y HA 0.120 4.671 4.550 0.001 0.000 0.292 38 Y C 2.308 178.043 175.900 -0.274 0.000 1.137 38 Y CA 0.578 58.521 58.100 -0.261 0.000 1.285 38 Y CB -1.395 37.088 38.460 0.039 0.000 0.991 38 Y HN 0.060 nan 8.280 nan 0.000 0.556 39 S N 0.197 115.673 115.700 -0.373 0.000 2.447 39 S HA -0.104 4.366 4.470 0.001 0.000 0.233 39 S C 2.040 176.629 174.600 -0.018 0.000 1.006 39 S CA 1.004 59.178 58.200 -0.043 0.000 0.957 39 S CB -0.498 62.706 63.200 0.008 0.000 0.773 39 S HN 0.381 nan 8.310 nan 0.000 0.507 40 V N 3.138 122.891 119.914 -0.267 0.000 2.244 40 V HA -0.104 4.016 4.120 0.001 0.000 0.244 40 V C -0.200 175.798 176.094 -0.160 0.000 1.042 40 V CA 1.678 63.871 62.300 -0.179 0.000 1.006 40 V CB -1.691 29.986 31.823 -0.242 0.000 0.641 40 V HN 0.379 nan 8.190 nan 0.000 0.446 41 P HA -0.031 nan 4.420 nan 0.000 0.217 41 P C 1.223 178.579 177.300 0.092 0.000 1.151 41 P CA 1.620 64.599 63.100 -0.203 0.000 0.828 41 P CB -0.332 30.853 31.700 -0.858 0.000 0.788 42 G N 0.205 109.014 108.800 0.015 0.000 2.396 42 G HA2 -0.221 3.740 3.960 0.001 0.000 0.288 42 G HA3 -0.221 3.740 3.960 0.001 0.000 0.288 42 G C -0.659 174.273 174.900 0.053 0.000 0.926 42 G CA 0.220 45.372 45.100 0.087 0.000 1.211 42 G HN 0.418 nan 8.290 nan 0.000 0.496 43 W N 0.032 121.335 121.300 0.007 0.000 2.915 43 W HA 0.710 5.370 4.660 0.001 0.000 0.337 43 W C -0.303 176.218 176.519 0.003 0.000 1.102 43 W CA -0.116 57.174 57.345 -0.091 0.000 1.224 43 W CB 1.891 31.183 29.460 -0.280 0.000 1.416 43 W HN 0.860 nan 8.180 nan 0.000 0.503 44 A N 2.797 125.125 122.820 -0.819 0.000 2.594 44 A HA 0.538 4.859 4.320 0.001 0.000 0.296 44 A C -0.868 175.956 177.584 -1.268 0.000 1.061 44 A CA -0.644 50.959 52.037 -0.724 0.000 0.689 44 A CB 1.389 20.198 19.000 -0.319 0.000 1.280 44 A HN 0.360 nan 8.150 nan 0.000 0.406 45 T N 3.936 117.970 114.554 -0.868 0.000 2.930 45 T HA 0.435 4.786 4.350 0.001 0.000 0.306 45 T C -1.729 172.676 174.700 -0.491 0.000 1.045 45 T CA -0.236 61.492 62.100 -0.621 0.000 1.134 45 T CB 0.094 68.817 68.868 -0.241 0.000 0.961 45 T HN 0.577 nan 8.240 nan 0.000 0.545 57 A N 0.269 123.209 122.820 0.199 0.000 2.630 57 A HA 0.113 4.434 4.320 0.001 0.000 0.290 57 A C 1.444 179.149 177.584 0.200 0.000 1.267 57 A CA -0.563 51.601 52.037 0.213 0.000 0.950 57 A CB -0.417 18.621 19.000 0.064 0.000 1.144 57 A HN 0.491 nan 8.150 nan 0.000 0.527 58 W N -0.030 121.216 121.300 -0.091 0.000 2.355 58 W HA -0.198 4.463 4.660 0.001 0.000 0.309 58 W C 0.686 176.940 176.519 -0.441 0.000 1.206 58 W CA 1.657 58.788 57.345 -0.356 0.000 1.284 58 W CB -0.298 28.797 29.460 -0.609 0.000 1.145 58 W HN 0.455 nan 8.180 nan 0.000 0.502 59 F N -0.639 119.266 119.950 -0.076 0.000 2.456 59 F HA -0.069 4.459 4.527 0.001 0.000 0.298 59 F C 1.979 177.527 175.800 -0.420 0.000 1.104 59 F CA 0.887 58.690 58.000 -0.329 0.000 1.435 59 F CB -0.909 37.865 39.000 -0.376 0.000 1.078 59 F HN -0.264 nan 8.300 nan 0.000 0.546 60 F N -0.325 119.578 119.950 -0.077 0.000 2.367 60 F HA -0.029 4.499 4.527 0.002 0.000 0.298 60 F C 1.093 176.825 175.800 -0.113 0.000 1.094 60 F CA 0.847 58.792 58.000 -0.092 0.000 1.409 60 F CB -0.289 38.654 39.000 -0.094 0.000 1.064 60 F HN -0.103 nan 8.300 nan 0.000 0.528 61 Q N 0.196 119.967 119.800 -0.048 0.000 2.656 61 Q HA 0.130 4.470 4.340 0.001 0.000 0.389 61 Q C -0.611 175.137 176.000 -0.421 0.000 0.883 61 Q CA -0.400 55.307 55.803 -0.160 0.000 1.056 61 Q CB 0.247 28.903 28.738 -0.137 0.000 1.391 61 Q HN -0.010 nan 8.270 nan 0.000 0.399 62 N N 2.694 121.132 118.700 -0.437 0.000 2.434 62 N HA 0.003 4.743 4.740 0.001 0.000 0.268 62 N C -1.635 173.544 175.510 -0.552 0.000 1.256 62 N CA -0.903 51.733 53.050 -0.689 0.000 0.914 62 N CB 1.006 39.263 38.487 -0.384 0.000 1.088 62 N HN 0.248 nan 8.380 nan 0.000 0.478 63 P HA 0.000 nan 4.420 nan 0.000 0.245 63 P C -0.544 176.725 177.300 -0.052 0.000 1.212 63 P CA 0.535 63.379 63.100 -0.427 0.000 0.774 63 P CB 0.138 31.543 31.700 -0.491 0.000 0.999 64 Y N 0.490 120.641 120.300 -0.247 0.000 2.367 64 Y HA 0.435 4.985 4.550 0.001 0.000 0.342 64 Y C 1.823 177.765 175.900 0.071 0.000 0.979 64 Y CA -1.814 56.275 58.100 -0.018 0.000 1.161 64 Y CB 0.502 39.040 38.460 0.130 0.000 1.155 64 Y HN -0.083 nan 8.280 nan 0.000 0.503 65 A N 2.698 125.618 122.820 0.167 0.000 2.067 65 A HA -0.127 4.194 4.320 0.001 0.000 0.219 65 A C 1.723 179.421 177.584 0.190 0.000 1.158 65 A CA 1.153 53.300 52.037 0.184 0.000 0.661 65 A CB -0.265 18.794 19.000 0.098 0.000 0.801 65 A HN 0.770 nan 8.150 nan 0.000 0.452 66 E N -1.179 119.010 120.200 -0.018 0.000 2.204 66 E HA -0.185 4.166 4.350 0.001 0.000 0.194 66 E C 0.832 177.373 176.600 -0.099 0.000 0.989 66 E CA 0.954 56.969 56.400 -0.642 0.000 0.824 66 E CB -0.355 28.694 29.700 -1.085 0.000 0.756 66 E HN 0.840 nan 8.360 nan 0.000 0.477 67 W N 0.233 121.631 121.300 0.164 0.000 3.434 67 W HA 0.177 4.839 4.660 0.003 0.000 0.297 67 W C 1.121 177.795 176.519 0.259 0.000 1.295 67 W CA -0.608 56.968 57.345 0.384 0.000 1.731 67 W CB -0.720 28.971 29.460 0.385 0.000 1.070 67 W HN 0.116 nan 8.180 nan 0.000 0.726 68 Y N 1.441 121.933 120.300 0.321 0.000 2.102 68 Y HA -0.386 4.164 4.550 0.001 0.000 0.280 68 Y C 2.499 178.477 175.900 0.130 0.000 1.178 68 Y CA 2.616 60.891 58.100 0.292 0.000 1.146 68 Y CB -0.210 38.491 38.460 0.402 0.000 0.968 68 Y HN 0.093 nan 8.280 nan 0.000 0.504 69 E N -0.398 119.850 120.200 0.080 0.000 2.072 69 E HA -0.268 4.082 4.350 0.001 0.000 0.191 69 E C 1.997 178.347 176.600 -0.417 0.000 0.985 69 E CA 1.267 57.437 56.400 -0.384 0.000 0.801 69 E CB -0.299 28.844 29.700 -0.928 0.000 0.750 69 E HN 0.542 nan 8.360 nan 0.000 0.452 70 N N -0.112 118.242 118.700 -0.577 0.000 2.084 70 N HA -0.131 4.610 4.740 0.001 0.000 0.190 70 N C 1.783 177.133 175.510 -0.266 0.000 1.030 70 N CA 1.948 54.623 53.050 -0.625 0.000 0.849 70 N CB -0.068 38.107 38.487 -0.521 0.000 1.012 70 N HN -0.036 nan 8.380 nan 0.000 0.423 71 S N -0.069 115.572 115.700 -0.098 0.000 2.399 71 S HA -0.112 4.359 4.470 0.001 0.000 0.231 71 S C 1.683 176.226 174.600 -0.095 0.000 1.022 71 S CA 0.744 58.900 58.200 -0.075 0.000 0.983 71 S CB -0.359 62.834 63.200 -0.012 0.000 0.803 71 S HN 0.361 nan 8.310 nan 0.000 0.480 72 L N 1.777 122.909 121.223 -0.152 0.000 2.217 72 L HA 0.122 4.462 4.340 0.001 0.000 0.211 72 L C 1.992 178.866 176.870 0.006 0.000 1.107 72 L CA 1.515 56.308 54.840 -0.078 0.000 0.783 72 L CB -0.364 41.594 42.059 -0.168 0.000 0.919 72 L HN 0.065 nan 8.230 nan 0.000 0.442 73 R N -0.598 119.831 120.500 -0.119 0.000 2.236 73 R HA 0.123 4.464 4.340 0.001 0.000 0.208 73 R C 0.354 176.562 176.300 -0.154 0.000 1.036 73 R CA 0.319 56.338 56.100 -0.136 0.000 1.001 73 R CB -0.205 29.954 30.300 -0.235 0.000 0.896 73 R HN 0.310 nan 8.270 nan 0.000 0.464 74 I N 2.007 122.481 120.570 -0.161 0.000 2.329 74 I HA 0.009 4.180 4.170 0.001 0.000 0.295 74 I C 0.709 176.705 176.117 -0.201 0.000 1.109 74 I CA -0.043 61.154 61.300 -0.172 0.000 1.297 74 I CB 1.203 39.090 38.000 -0.188 0.000 1.433 74 I HN -0.129 nan 8.210 nan 0.000 0.509 75 K N 3.497 123.671 120.400 -0.377 0.000 2.152 75 K HA -0.199 4.122 4.320 0.001 0.000 0.206 75 K C 1.536 177.696 176.600 -0.734 0.000 1.048 75 K CA 1.397 57.143 56.287 -0.902 0.000 0.933 75 K CB -0.024 31.985 32.500 -0.817 0.000 0.721 75 K HN 0.476 nan 8.250 nan 0.000 0.447 76 E N 0.574 120.601 120.200 -0.287 0.000 2.150 76 E HA -0.064 4.286 4.350 0.001 0.000 0.193 76 E C 0.550 177.180 176.600 0.050 0.000 0.985 76 E CA 0.753 57.090 56.400 -0.103 0.000 0.814 76 E CB -0.105 29.600 29.700 0.007 0.000 0.752 76 E HN 0.312 nan 8.360 nan 0.000 0.466 77 S N 0.439 116.201 115.700 0.102 0.000 2.589 77 S HA 0.071 4.542 4.470 0.001 0.000 0.265 77 S C -1.838 172.901 174.600 0.232 0.000 1.342 77 S CA -1.112 57.190 58.200 0.170 0.000 1.005 77 S CB 0.912 64.189 63.200 0.129 0.000 0.909 77 S HN -0.199 nan 8.310 nan 0.000 0.555 78 P HA 0.009 nan 4.420 nan 0.000 0.220 78 P C 1.309 178.740 177.300 0.218 0.000 1.148 78 P CA 1.050 64.305 63.100 0.258 0.000 0.803 78 P CB -0.271 31.631 31.700 0.337 0.000 0.782 79 T N -1.952 112.757 114.554 0.259 0.000 2.821 79 T HA -0.169 4.182 4.350 0.001 0.000 0.267 79 T C 1.357 176.096 174.700 0.064 0.000 1.046 79 T CA 1.017 63.188 62.100 0.119 0.000 1.139 79 T CB -0.842 68.042 68.868 0.027 0.000 0.871 79 T HN 0.211 nan 8.240 nan 0.000 0.454 80 W N 2.056 123.340 121.300 -0.026 0.000 2.388 80 W HA -0.034 4.626 4.660 0.000 0.000 0.294 80 W C 2.064 178.609 176.519 0.043 0.000 1.212 80 W CA 0.865 58.215 57.345 0.008 0.000 1.271 80 W CB -0.077 29.382 29.460 -0.002 0.000 1.126 80 W HN 0.308 nan 8.180 nan 0.000 0.535 81 E N -0.972 119.344 120.200 0.194 0.000 2.031 81 E HA -0.326 4.024 4.350 0.001 0.000 0.193 81 E C 1.936 178.440 176.600 -0.159 0.000 0.994 81 E CA 1.795 58.204 56.400 0.016 0.000 0.800 81 E CB -0.954 28.815 29.700 0.115 0.000 0.752 81 E HN 0.373 nan 8.360 nan 0.000 0.447 82 Y N 0.972 121.069 120.300 -0.339 0.000 2.128 82 Y HA -0.316 4.234 4.550 0.001 0.000 0.284 82 Y C 2.395 178.110 175.900 -0.309 0.000 1.154 82 Y CA 2.352 60.138 58.100 -0.524 0.000 1.149 82 Y CB -0.411 37.304 38.460 -1.243 0.000 0.976 82 Y HN 0.151 nan 8.280 nan 0.000 0.505 83 H N -1.019 117.932 119.070 -0.199 0.000 2.357 83 H HA -0.102 4.454 4.556 0.000 0.000 0.301 83 H C 2.000 177.192 175.328 -0.226 0.000 1.082 83 H CA 2.110 58.141 56.048 -0.029 0.000 1.342 83 H CB -0.277 29.572 29.762 0.144 0.000 1.389 83 H HN 0.227 nan 8.280 nan 0.000 0.511 84 V N 0.923 120.631 119.914 -0.343 0.000 3.041 84 V HA -0.117 4.004 4.120 0.001 0.000 0.260 84 V C 2.264 178.130 176.094 -0.380 0.000 1.105 84 V CA 1.825 63.855 62.300 -0.449 0.000 1.125 84 V CB -0.270 31.026 31.823 -0.878 0.000 0.730 84 V HN 0.495 nan 8.190 nan 0.000 0.479 85 K N -0.218 119.937 120.400 -0.408 0.000 2.244 85 K HA -0.038 4.282 4.320 0.001 0.000 0.200 85 K C 1.882 178.200 176.600 -0.471 0.000 1.052 85 K CA 1.278 57.343 56.287 -0.370 0.000 0.980 85 K CB 0.100 32.411 32.500 -0.316 0.000 0.838 85 K HN 0.406 nan 8.250 nan 0.000 0.481 86 T N -0.198 113.938 114.554 -0.697 0.000 2.978 86 T HA 0.016 4.367 4.350 0.001 0.000 0.262 86 T C 0.909 175.009 174.700 -1.000 0.000 1.063 86 T CA 0.978 62.522 62.100 -0.927 0.000 1.140 86 T CB -0.110 67.922 68.868 -1.394 0.000 0.886 86 T HN 0.289 nan 8.240 nan 0.000 0.470 87 Y N 0.288 120.203 120.300 -0.641 0.000 2.441 87 Y HA 0.469 5.021 4.550 0.002 0.000 0.266 87 Y C 1.267 176.872 175.900 -0.491 0.000 1.093 87 Y CA -0.064 57.569 58.100 -0.779 0.000 1.246 87 Y CB 1.077 38.717 38.460 -1.366 0.000 1.262 87 Y HN 0.327 nan 8.280 nan 0.000 0.518 88 G N 1.022 109.671 108.800 -0.251 0.000 2.697 88 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 88 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 88 G C 0.057 174.946 174.900 -0.018 0.000 1.179 88 G CA -0.283 44.751 45.100 -0.110 0.000 0.765 88 G HN 0.157 nan 8.290 nan 0.000 0.649 89 E N 0.192 120.373 120.200 -0.031 0.000 2.118 89 E HA -0.155 4.195 4.350 0.001 0.000 0.195 89 E C 1.839 178.518 176.600 0.130 0.000 0.992 89 E CA 1.560 57.976 56.400 0.026 0.000 0.804 89 E CB 0.017 29.738 29.700 0.035 0.000 0.741 89 E HN 0.553 nan 8.360 nan 0.000 0.458 90 N N -0.482 118.287 118.700 0.114 0.000 2.322 90 N HA 0.031 4.771 4.740 0.001 0.000 0.216 90 N C -0.610 174.971 175.510 0.118 0.000 1.144 90 N CA -0.333 52.778 53.050 0.101 0.000 0.830 90 N CB 0.176 38.696 38.487 0.056 0.000 1.034 90 N HN -0.025 nan 8.380 nan 0.000 0.484 91 F N 2.364 122.340 119.950 0.045 0.000 2.406 91 F HA 0.170 4.700 4.527 0.004 0.000 0.358 91 F C 0.420 176.267 175.800 0.080 0.000 1.161 91 F CA -0.814 57.187 58.000 0.003 0.000 1.185 91 F CB 0.116 39.059 39.000 -0.095 0.000 1.421 91 F HN -0.065 nan 8.300 nan 0.000 0.576 92 E N 3.865 123.969 120.200 -0.160 0.000 2.415 92 E HA -0.181 4.170 4.350 0.001 0.000 0.262 92 E C 0.647 177.176 176.600 -0.119 0.000 1.038 92 E CA 0.286 56.637 56.400 -0.082 0.000 0.921 92 E CB 0.542 30.167 29.700 -0.125 0.000 0.950 92 E HN 0.788 nan 8.360 nan 0.000 0.438 93 Y N 2.886 123.174 120.300 -0.021 0.000 2.274 93 Y HA -0.227 4.324 4.550 0.000 0.000 0.290 93 Y C 2.112 178.068 175.900 0.093 0.000 1.145 93 Y CA 2.198 60.370 58.100 0.120 0.000 1.203 93 Y CB 0.219 38.844 38.460 0.274 0.000 0.984 93 Y HN 0.672 nan 8.280 nan 0.000 0.533 94 E N 0.449 120.688 120.200 0.065 0.000 2.209 94 E HA -0.265 4.086 4.350 0.001 0.000 0.196 94 E C 2.034 178.585 176.600 -0.082 0.000 0.993 94 E CA 1.033 57.468 56.400 0.057 0.000 0.819 94 E CB -0.147 29.537 29.700 -0.028 0.000 0.745 94 E HN 0.483 nan 8.360 nan 0.000 0.477 95 K N -0.369 119.821 120.400 -0.351 0.000 2.280 95 K HA -0.111 4.210 4.320 0.001 0.000 0.202 95 K C 1.634 178.042 176.600 -0.320 0.000 1.047 95 K CA 0.760 56.755 56.287 -0.486 0.000 0.942 95 K CB -0.114 31.727 32.500 -1.097 0.000 0.739 95 K HN 0.189 nan 8.250 nan 0.000 0.457 96 F N 0.419 120.237 119.950 -0.220 0.000 2.333 96 F HA -0.194 4.334 4.527 0.001 0.000 0.300 96 F C 2.303 177.937 175.800 -0.278 0.000 1.083 96 F CA 0.398 58.255 58.000 -0.238 0.000 1.395 96 F CB -0.113 38.610 39.000 -0.462 0.000 1.056 96 F HN 0.118 nan 8.300 nan 0.000 0.529 97 A N 0.003 122.735 122.820 -0.147 0.000 1.940 97 A HA -0.219 4.102 4.320 0.001 0.000 0.219 97 A C 1.820 179.358 177.584 -0.076 0.000 1.176 97 A CA 2.122 53.986 52.037 -0.289 0.000 0.631 97 A CB -0.584 18.303 19.000 -0.188 0.000 0.814 97 A HN 0.253 nan 8.150 nan 0.000 0.446 98 D N -0.792 119.600 120.400 -0.014 0.000 2.289 98 D HA 0.028 4.669 4.640 0.001 0.000 0.207 98 D C 1.395 177.720 176.300 0.041 0.000 0.966 98 D CA 0.574 54.581 54.000 0.012 0.000 0.868 98 D CB 0.000 40.801 40.800 0.002 0.000 0.943 98 D HN 0.329 nan 8.370 nan 0.000 0.514 99 L N -0.150 121.126 121.223 0.089 0.000 2.492 99 L HA 0.045 4.385 4.340 0.001 0.000 0.223 99 L C 0.662 177.619 176.870 0.144 0.000 1.132 99 L CA 0.328 55.252 54.840 0.141 0.000 0.850 99 L CB -0.230 41.976 42.059 0.245 0.000 0.966 99 L HN -0.076 nan 8.230 nan 0.000 0.454 100 F N 0.671 120.561 119.950 -0.101 0.000 2.499 100 F HA 0.205 4.731 4.527 -0.000 0.000 0.353 100 F C 1.441 177.162 175.800 -0.132 0.000 1.196 100 F CA -0.673 57.222 58.000 -0.175 0.000 1.244 100 F CB -0.265 38.509 39.000 -0.376 0.000 1.577 100 F HN 0.057 nan 8.300 nan 0.000 0.614 101 T N 1.403 115.825 114.554 -0.221 0.000 3.044 101 T HA 0.309 4.660 4.350 0.001 0.000 0.250 101 T C 1.304 175.843 174.700 -0.268 0.000 1.081 101 T CA 0.295 62.258 62.100 -0.230 0.000 1.040 101 T CB -0.322 68.506 68.868 -0.066 0.000 0.962 101 T HN 1.006 nan 8.240 nan 0.000 0.506 102 A N 1.569 124.209 122.820 -0.299 0.000 2.462 102 A HA -0.267 4.053 4.320 0.001 0.000 0.294 102 A C 1.192 178.819 177.584 0.071 0.000 1.461 102 A CA 1.297 53.294 52.037 -0.067 0.000 0.765 102 A CB -2.298 16.568 19.000 -0.224 0.000 1.071 102 A HN 0.738 nan 8.150 nan 0.000 0.401 103 E N 0.215 120.451 120.200 0.060 0.000 2.152 103 E HA -0.155 4.195 4.350 0.001 0.000 0.192 103 E C 1.480 178.132 176.600 0.087 0.000 0.983 103 E CA 1.346 57.782 56.400 0.060 0.000 0.818 103 E CB -0.049 29.676 29.700 0.042 0.000 0.758 103 E HN 0.939 nan 8.360 nan 0.000 0.467 104 K N -0.176 120.295 120.400 0.118 0.000 2.981 104 K HA 0.094 4.415 4.320 0.001 0.000 0.213 104 K C -0.867 175.827 176.600 0.156 0.000 1.154 104 K CA -0.444 55.905 56.287 0.104 0.000 1.111 104 K CB -0.060 32.490 32.500 0.082 0.000 0.975 104 K HN -0.029 nan 8.250 nan 0.000 0.462 105 W N 2.845 124.117 121.300 -0.048 0.000 2.332 105 W HA 0.259 4.919 4.660 0.001 0.000 0.306 105 W C -1.181 175.210 176.519 -0.213 0.000 1.149 105 W CA -0.757 56.494 57.345 -0.157 0.000 1.271 105 W CB 1.081 30.471 29.460 -0.116 0.000 1.243 105 W HN 0.225 nan 8.180 nan 0.000 0.459 106 D N 8.367 128.360 120.400 -0.678 0.000 2.462 106 D HA 0.341 4.982 4.640 0.001 0.000 0.245 106 D C -1.428 174.209 176.300 -1.104 0.000 1.122 106 D CA -2.265 51.281 54.000 -0.756 0.000 0.864 106 D CB 2.239 42.825 40.800 -0.357 0.000 1.098 106 D HN 0.093 nan 8.370 nan 0.000 0.541 107 P HA -0.158 nan 4.420 nan 0.000 0.218 107 P C 1.156 178.190 177.300 -0.443 0.000 1.149 107 P CA 0.970 63.420 63.100 -1.083 0.000 0.817 107 P CB 0.421 31.504 31.700 -1.029 0.000 0.785 108 Q N -0.018 119.564 119.800 -0.363 0.000 2.124 108 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 108 Q C 2.221 178.131 176.000 -0.150 0.000 0.977 108 Q CA 1.298 56.984 55.803 -0.196 0.000 0.850 108 Q CB -0.321 28.316 28.738 -0.168 0.000 0.901 108 Q HN 0.392 nan 8.270 nan 0.000 0.429 109 E N -0.561 119.535 120.200 -0.173 0.000 2.150 109 E HA -0.173 4.178 4.350 0.001 0.000 0.193 109 E C 1.439 178.008 176.600 -0.051 0.000 0.985 109 E CA 0.723 57.067 56.400 -0.094 0.000 0.814 109 E CB 0.087 29.745 29.700 -0.069 0.000 0.752 109 E HN 0.376 nan 8.360 nan 0.000 0.466 110 W N 0.425 121.486 121.300 -0.397 0.000 2.379 110 W HA -0.007 4.654 4.660 0.002 0.000 0.307 110 W C 2.396 178.391 176.519 -0.872 0.000 1.200 110 W CA 1.050 57.991 57.345 -0.675 0.000 1.297 110 W CB -1.021 28.200 29.460 -0.397 0.000 1.140 110 W HN 0.094 nan 8.180 nan 0.000 0.507 111 A N -0.090 122.654 122.820 -0.127 0.000 1.933 111 A HA -0.189 4.132 4.320 0.001 0.000 0.218 111 A C 1.772 179.328 177.584 -0.045 0.000 1.175 111 A CA 2.086 54.121 52.037 -0.004 0.000 0.628 111 A CB -0.747 18.287 19.000 0.058 0.000 0.814 111 A HN 0.130 nan 8.150 nan 0.000 0.444 112 D N -0.328 120.020 120.400 -0.088 0.000 2.144 112 D HA -0.101 4.540 4.640 0.001 0.000 0.200 112 D C 1.896 178.156 176.300 -0.067 0.000 0.978 112 D CA 0.618 54.585 54.000 -0.054 0.000 0.833 112 D CB -0.285 40.482 40.800 -0.054 0.000 0.961 112 D HN 0.369 nan 8.370 nan 0.000 0.470 113 L N -0.204 120.909 121.223 -0.184 0.000 2.017 113 L HA -0.151 4.190 4.340 0.001 0.000 0.208 113 L C 2.102 178.962 176.870 -0.016 0.000 1.073 113 L CA 1.322 56.059 54.840 -0.172 0.000 0.745 113 L CB -0.369 41.480 42.059 -0.350 0.000 0.894 113 L HN 0.051 nan 8.230 nan 0.000 0.432 114 F N -0.097 119.871 119.950 0.031 0.000 2.259 114 F HA -0.200 4.327 4.527 0.000 0.000 0.298 114 F C 2.687 178.515 175.800 0.047 0.000 1.088 114 F CA 0.647 58.657 58.000 0.017 0.000 1.358 114 F CB -0.173 38.825 39.000 -0.004 0.000 1.040 114 F HN 0.070 nan 8.300 nan 0.000 0.505 115 K N 1.286 121.807 120.400 0.202 0.000 2.062 115 K HA -0.135 4.185 4.320 0.001 0.000 0.205 115 K C 1.853 178.538 176.600 0.141 0.000 1.051 115 K CA 1.098 57.473 56.287 0.146 0.000 0.941 115 K CB -0.018 32.537 32.500 0.092 0.000 0.719 115 K HN 0.160 nan 8.250 nan 0.000 0.440 116 K N -0.123 120.348 120.400 0.118 0.000 2.211 116 K HA -0.048 4.273 4.320 0.001 0.000 0.203 116 K C 1.839 178.537 176.600 0.164 0.000 1.050 116 K CA 0.887 57.242 56.287 0.113 0.000 0.945 116 K CB 0.068 32.611 32.500 0.072 0.000 0.732 116 K HN 0.151 nan 8.250 nan 0.000 0.451 117 A N 0.387 123.338 122.820 0.219 0.000 2.119 117 A HA 0.094 4.414 4.320 0.001 0.000 0.216 117 A C 1.503 179.338 177.584 0.418 0.000 1.152 117 A CA 1.191 53.407 52.037 0.298 0.000 0.708 117 A CB -0.244 18.968 19.000 0.354 0.000 0.805 117 A HN 0.418 nan 8.150 nan 0.000 0.460 118 G N -2.392 106.641 108.800 0.389 0.000 2.159 118 G HA2 0.143 4.104 3.960 0.001 0.000 0.227 118 G HA3 0.143 4.104 3.960 0.001 0.000 0.227 118 G C 0.381 175.634 174.900 0.589 0.000 0.986 118 G CA 0.192 45.580 45.100 0.479 0.000 0.651 118 G HN 1.525 nan 8.290 nan 0.000 0.523 119 A N -0.122 122.907 122.820 0.348 0.000 2.425 119 A HA 0.670 4.991 4.320 0.001 0.000 0.249 119 A C 1.240 178.851 177.584 0.044 0.000 1.084 119 A CA 0.602 52.585 52.037 -0.089 0.000 0.781 119 A CB 0.483 19.170 19.000 -0.523 0.000 1.019 119 A HN 0.122 nan 8.150 nan 0.000 0.490 120 K N 0.189 120.631 120.400 0.069 0.000 2.355 120 K HA 0.179 4.499 4.320 0.001 0.000 0.198 120 K C -0.678 176.110 176.600 0.312 0.000 1.039 120 K CA 0.635 57.038 56.287 0.194 0.000 1.075 120 K CB -0.018 32.653 32.500 0.285 0.000 0.870 120 K HN 0.804 nan 8.250 nan 0.000 0.540 121 Y N -3.381 116.951 120.300 0.053 0.000 2.592 121 Y HA 0.636 5.186 4.550 0.001 0.000 0.334 121 Y C -0.991 174.898 175.900 -0.019 0.000 1.136 121 Y CA -1.550 56.601 58.100 0.085 0.000 1.042 121 Y CB 1.180 39.807 38.460 0.278 0.000 1.325 121 Y HN -0.323 nan 8.280 nan 0.000 0.457 122 V N 3.868 123.846 119.914 0.107 0.000 2.638 122 V HA 0.526 4.646 4.120 0.001 0.000 0.306 122 V C -0.658 175.423 176.094 -0.022 0.000 1.052 122 V CA -0.794 61.483 62.300 -0.038 0.000 0.885 122 V CB 1.878 33.781 31.823 0.134 0.000 0.999 122 V HN 0.761 nan 8.190 nan 0.000 0.424 123 I N 6.722 127.241 120.570 -0.086 0.000 2.493 123 I HA 0.382 4.552 4.170 0.001 0.000 0.279 123 I C -2.649 173.529 176.117 0.102 0.000 1.045 123 I CA -1.583 59.667 61.300 -0.082 0.000 1.106 123 I CB 2.693 40.593 38.000 -0.168 0.000 1.216 123 I HN 0.433 nan 8.210 nan 0.000 0.459 124 P HA 0.209 nan 4.420 nan 0.000 0.282 124 P C -0.333 177.112 177.300 0.241 0.000 1.259 124 P CA -0.382 62.879 63.100 0.268 0.000 0.826 124 P CB 1.038 32.984 31.700 0.410 0.000 1.064 125 T N -2.116 112.524 114.554 0.143 0.000 2.743 125 T HA 0.128 4.479 4.350 0.001 0.000 0.290 125 T C 1.450 176.330 174.700 0.300 0.000 0.908 125 T CA -0.035 62.140 62.100 0.125 0.000 1.092 125 T CB -0.881 67.872 68.868 -0.192 0.000 0.882 125 T HN 0.528 nan 8.240 nan 0.000 0.531 126 T N 0.169 114.958 114.554 0.391 0.000 2.821 126 T HA 0.007 4.358 4.350 0.001 0.000 0.267 126 T C 0.610 175.663 174.700 0.589 0.000 1.046 126 T CA 0.536 62.905 62.100 0.449 0.000 1.139 126 T CB -0.091 68.922 68.868 0.242 0.000 0.871 126 T HN 0.680 nan 8.240 nan 0.000 0.454 127 K N 0.296 120.990 120.400 0.491 0.000 2.616 127 K HA 0.188 4.509 4.320 0.001 0.000 0.255 127 K C -1.318 175.413 176.600 0.217 0.000 0.995 127 K CA -0.671 55.815 56.287 0.333 0.000 0.860 127 K CB 1.406 34.088 32.500 0.302 0.000 1.264 127 K HN 0.311 nan 8.250 nan 0.000 0.451 128 H N 1.795 120.936 119.070 0.120 0.000 2.584 128 H HA 0.193 4.750 4.556 0.000 0.000 0.299 128 H C 0.841 176.047 175.328 -0.202 0.000 1.548 128 H CA 0.176 56.192 56.048 -0.053 0.000 1.544 128 H CB 0.917 30.563 29.762 -0.192 0.000 1.732 128 H HN 0.673 nan 8.280 nan 0.000 0.813 129 H N 0.138 118.950 119.070 -0.430 0.000 2.421 129 H HA -0.132 4.424 4.556 0.000 0.000 0.298 129 H C 1.569 176.260 175.328 -1.062 0.000 1.087 129 H CA 1.364 56.769 56.048 -1.071 0.000 1.330 129 H CB -0.384 28.221 29.762 -1.927 0.000 1.388 129 H HN 0.591 nan 8.280 nan 0.000 0.526 130 D N -0.296 119.908 120.400 -0.328 0.000 2.310 130 D HA -0.030 4.611 4.640 0.001 0.000 0.212 130 D C 1.729 178.273 176.300 0.407 0.000 0.965 130 D CA 1.083 55.228 54.000 0.242 0.000 0.879 130 D CB -0.468 40.685 40.800 0.588 0.000 0.921 130 D HN 0.451 nan 8.370 nan 0.000 0.510 131 G N -0.312 108.674 108.800 0.310 0.000 2.176 131 G HA2 -0.280 3.681 3.960 0.001 0.000 0.253 131 G HA3 -0.280 3.681 3.960 0.001 0.000 0.253 131 G C -0.057 175.163 174.900 0.533 0.000 0.979 131 G CA 0.023 45.371 45.100 0.414 0.000 0.641 131 G HN 0.429 nan 8.290 nan 0.000 0.530 132 F N 2.358 122.486 119.950 0.297 0.000 2.472 132 F HA 0.543 5.070 4.527 -0.001 0.000 0.364 132 F C 0.929 176.707 175.800 -0.036 0.000 1.090 132 F CA -0.610 57.308 58.000 -0.137 0.000 1.188 132 F CB 0.405 39.138 39.000 -0.446 0.000 1.105 132 F HN 0.197 nan 8.300 nan 0.000 0.536 133 C N 7.401 126.317 119.300 -0.641 0.000 2.350 133 C HA 0.301 4.761 4.460 0.001 0.000 0.348 133 C C 1.224 175.903 174.990 -0.518 0.000 1.260 133 C CA -0.961 57.799 59.018 -0.430 0.000 1.966 133 C CB 0.561 27.825 27.740 -0.794 0.000 2.380 133 C HN 0.762 nan 8.230 nan 0.000 0.535 134 L N 2.206 123.474 121.223 0.075 0.000 2.737 134 L HA 0.207 4.547 4.340 0.001 0.000 0.236 134 L C -0.055 176.977 176.870 0.271 0.000 1.219 134 L CA 0.262 55.164 54.840 0.102 0.000 1.021 134 L CB -0.801 41.365 42.059 0.178 0.000 1.291 134 L HN 0.892 nan 8.230 nan 0.000 0.470 135 W N -2.440 118.832 121.300 -0.047 0.000 3.038 135 W HA 0.623 5.286 4.660 0.006 0.000 0.347 135 W C 0.289 176.823 176.519 0.026 0.000 1.219 135 W CA -1.247 56.127 57.345 0.049 0.000 1.142 135 W CB 0.711 30.285 29.460 0.191 0.000 1.484 135 W HN -0.130 nan 8.180 nan 0.000 0.586 136 G N 1.865 110.732 108.800 0.113 0.000 3.401 136 G HA2 0.284 4.244 3.960 0.001 0.000 0.251 136 G HA3 0.284 4.244 3.960 0.001 0.000 0.251 136 G C -0.036 174.767 174.900 -0.163 0.000 0.960 136 G CA 0.078 45.143 45.100 -0.059 0.000 1.900 136 G HN 0.590 nan 8.290 nan 0.000 0.645 137 T N -0.146 114.053 114.554 -0.592 0.000 2.926 137 T HA 0.152 4.502 4.350 0.001 0.000 0.307 137 T C 1.498 176.030 174.700 -0.279 0.000 1.059 137 T CA -0.013 61.822 62.100 -0.442 0.000 1.122 137 T CB 0.455 68.875 68.868 -0.747 0.000 0.972 137 T HN 0.557 nan 8.240 nan 0.000 0.545 138 K N 2.947 123.129 120.400 -0.364 0.000 2.437 138 K HA 0.142 4.463 4.320 0.001 0.000 0.205 138 K C 0.128 176.430 176.600 -0.496 0.000 1.026 138 K CA 0.080 56.110 56.287 -0.428 0.000 1.153 138 K CB 0.174 32.411 32.500 -0.438 0.000 0.863 138 K HN 0.686 nan 8.250 nan 0.000 0.502 139 Y N 0.499 120.850 120.300 0.086 0.000 2.481 139 Y HA 0.182 4.733 4.550 0.002 0.000 0.247 139 Y C 0.481 176.567 175.900 0.311 0.000 1.151 139 Y CA -0.583 57.648 58.100 0.218 0.000 1.238 139 Y CB 1.629 40.248 38.460 0.265 0.000 1.179 139 Y HN 0.068 nan 8.280 nan 0.000 0.524 140 T N -1.001 113.708 114.554 0.259 0.000 2.942 140 T HA 0.149 4.500 4.350 0.001 0.000 0.327 140 T C -0.701 174.041 174.700 0.069 0.000 1.360 140 T CA -0.599 61.618 62.100 0.196 0.000 1.055 140 T CB 1.323 70.377 68.868 0.310 0.000 1.261 140 T HN -0.008 nan 8.240 nan 0.000 0.485 141 D N 1.806 122.257 120.400 0.084 0.000 2.339 141 D HA 0.117 4.758 4.640 0.001 0.000 0.217 141 D C 0.016 176.398 176.300 0.135 0.000 1.050 141 D CA 0.215 54.252 54.000 0.063 0.000 0.856 141 D CB 0.138 40.975 40.800 0.061 0.000 0.922 141 D HN 0.361 nan 8.370 nan 0.000 0.518 142 F N 2.941 122.875 119.950 -0.027 0.000 2.560 142 F HA 0.185 4.711 4.527 -0.002 0.000 0.338 142 F C -0.005 175.626 175.800 -0.282 0.000 1.201 142 F CA -0.914 57.105 58.000 0.032 0.000 1.291 142 F CB -0.672 38.402 39.000 0.122 0.000 1.627 142 F HN -0.150 nan 8.300 nan 0.000 0.588 143 N N -1.734 116.652 118.700 -0.525 0.000 2.902 143 N HA 0.262 5.003 4.740 0.001 0.000 0.268 143 N C 0.279 175.407 175.510 -0.636 0.000 1.450 143 N CA -0.230 52.224 53.050 -0.993 0.000 0.819 143 N CB 0.685 38.801 38.487 -0.618 0.000 1.540 143 N HN -0.111 nan 8.380 nan 0.000 0.545 144 S N -1.261 114.137 115.700 -0.503 0.000 2.489 144 S HA -0.025 4.445 4.470 0.001 0.000 0.228 144 S C 1.292 175.850 174.600 -0.069 0.000 0.995 144 S CA 0.630 58.775 58.200 -0.092 0.000 0.934 144 S CB -0.525 62.624 63.200 -0.084 0.000 0.771 144 S HN 0.350 nan 8.310 nan 0.000 0.522 145 V N 1.827 121.685 119.914 -0.094 0.000 2.446 145 V HA 0.019 4.139 4.120 0.001 0.000 0.244 145 V C 2.542 178.618 176.094 -0.030 0.000 1.039 145 V CA 1.303 63.576 62.300 -0.045 0.000 1.045 145 V CB -0.396 31.405 31.823 -0.037 0.000 0.681 145 V HN 0.408 nan 8.190 nan 0.000 0.459 146 K N -0.131 120.247 120.400 -0.037 0.000 2.211 146 K HA 0.133 4.454 4.320 0.001 0.000 0.201 146 K C 0.916 177.533 176.600 0.029 0.000 1.052 146 K CA 0.452 56.737 56.287 -0.003 0.000 0.973 146 K CB 0.110 32.610 32.500 0.000 0.000 0.766 146 K HN 0.304 nan 8.250 nan 0.000 0.466 147 R N -0.416 120.119 120.500 0.059 0.000 2.856 147 R HA 0.366 4.706 4.340 0.001 0.000 0.258 147 R C 1.057 177.398 176.300 0.067 0.000 1.066 147 R CA 0.065 56.226 56.100 0.101 0.000 1.045 147 R CB 0.384 30.812 30.300 0.214 0.000 1.178 147 R HN 0.235 nan 8.270 nan 0.000 0.499 148 G N 1.869 110.684 108.800 0.025 0.000 2.752 148 G HA2 -0.343 3.618 3.960 0.001 0.000 0.349 148 G HA3 -0.343 3.618 3.960 0.001 0.000 0.349 148 G C -1.415 173.403 174.900 -0.136 0.000 1.181 148 G CA 0.666 45.731 45.100 -0.058 0.000 0.949 148 G HN 0.524 nan 8.290 nan 0.000 0.562 149 P HA 0.098 nan 4.420 nan 0.000 0.222 149 P C 0.489 177.722 177.300 -0.112 0.000 1.147 149 P CA 1.463 64.404 63.100 -0.264 0.000 0.790 149 P CB 0.021 31.468 31.700 -0.421 0.000 0.780 150 K N -0.854 119.505 120.400 -0.069 0.000 3.148 150 K HA -0.210 4.110 4.320 0.001 0.000 0.267 150 K C 0.084 176.677 176.600 -0.012 0.000 0.996 150 K CA 0.831 57.101 56.287 -0.029 0.000 0.737 150 K CB -1.916 30.574 32.500 -0.017 0.000 1.308 150 K HN 0.422 nan 8.250 nan 0.000 0.470 151 R N 0.677 121.167 120.500 -0.016 0.000 2.561 151 R HA 0.100 4.441 4.340 0.001 0.000 0.266 151 R C -1.643 174.683 176.300 0.043 0.000 1.091 151 R CA -0.675 55.443 56.100 0.030 0.000 0.927 151 R CB 1.262 31.595 30.300 0.055 0.000 1.240 151 R HN 0.023 nan 8.270 nan 0.000 0.449 152 D N 5.244 125.706 120.400 0.104 0.000 2.416 152 D HA 0.083 4.723 4.640 0.001 0.000 0.240 152 D C 1.044 177.449 176.300 0.175 0.000 1.250 152 D CA 0.002 54.096 54.000 0.156 0.000 0.967 152 D CB 0.546 41.475 40.800 0.215 0.000 1.059 152 D HN 0.551 nan 8.370 nan 0.000 0.512 153 L N 2.795 124.080 121.223 0.103 0.000 2.056 153 L HA -0.153 4.188 4.340 0.001 0.000 0.207 153 L C 2.394 179.391 176.870 0.212 0.000 1.078 153 L CA 0.519 55.394 54.840 0.058 0.000 0.749 153 L CB -0.294 41.625 42.059 -0.234 0.000 0.901 153 L HN 0.289 nan 8.230 nan 0.000 0.433 154 V N 0.327 120.333 119.914 0.153 0.000 2.295 154 V HA -0.206 3.914 4.120 0.001 0.000 0.246 154 V C 2.611 178.569 176.094 -0.227 0.000 1.049 154 V CA 2.108 64.436 62.300 0.046 0.000 1.024 154 V CB -1.143 30.615 31.823 -0.108 0.000 0.648 154 V HN 0.565 nan 8.190 nan 0.000 0.447 155 G N -0.601 108.052 108.800 -0.245 0.000 2.402 155 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 155 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 155 G C 1.215 176.092 174.900 -0.038 0.000 1.162 155 G CA 0.923 45.933 45.100 -0.150 0.000 0.777 155 G HN 0.506 nan 8.290 nan 0.000 0.539 156 D N -0.058 120.395 120.400 0.087 0.000 2.183 156 D HA -0.044 4.596 4.640 0.001 0.000 0.203 156 D C 2.304 178.625 176.300 0.035 0.000 0.969 156 D CA 0.257 54.303 54.000 0.077 0.000 0.842 156 D CB -0.107 40.791 40.800 0.163 0.000 0.957 156 D HN 0.239 nan 8.370 nan 0.000 0.484 157 L N 0.807 122.136 121.223 0.177 0.000 2.109 157 L HA 0.076 4.416 4.340 0.001 0.000 0.207 157 L C 2.037 178.850 176.870 -0.095 0.000 1.086 157 L CA 1.271 56.234 54.840 0.205 0.000 0.760 157 L CB -0.764 41.609 42.059 0.525 0.000 0.910 157 L HN -0.052 nan 8.230 nan 0.000 0.437 158 A N -0.631 121.863 122.820 -0.543 0.000 1.898 158 A HA -0.205 4.116 4.320 0.001 0.000 0.216 158 A C 2.341 179.685 177.584 -0.399 0.000 1.181 158 A CA 1.752 53.139 52.037 -1.084 0.000 0.620 158 A CB -0.447 17.766 19.000 -1.312 0.000 0.819 158 A HN 0.463 nan 8.150 nan 0.000 0.442 159 K N -0.425 119.846 120.400 -0.215 0.000 2.026 159 K HA -0.083 4.237 4.320 0.001 0.000 0.208 159 K C 2.313 178.867 176.600 -0.076 0.000 1.048 159 K CA 1.215 57.440 56.287 -0.104 0.000 0.929 159 K CB -0.292 32.169 32.500 -0.065 0.000 0.713 159 K HN 0.445 nan 8.250 nan 0.000 0.439 160 A N 0.826 123.601 122.820 -0.074 0.000 1.897 160 A HA -0.077 4.244 4.320 0.001 0.000 0.215 160 A C 2.334 179.928 177.584 0.018 0.000 1.181 160 A CA 1.048 53.057 52.037 -0.048 0.000 0.620 160 A CB -0.489 18.459 19.000 -0.088 0.000 0.821 160 A HN 0.060 nan 8.150 nan 0.000 0.443 161 V N 0.111 120.066 119.914 0.068 0.000 2.343 161 V HA -0.251 3.869 4.120 0.001 0.000 0.247 161 V C 2.638 178.795 176.094 0.105 0.000 1.051 161 V CA 2.255 64.652 62.300 0.162 0.000 1.036 161 V CB -0.731 31.277 31.823 0.309 0.000 0.654 161 V HN 0.519 nan 8.190 nan 0.000 0.451 162 R N -0.495 120.033 120.500 0.047 0.000 2.148 162 R HA -0.096 4.245 4.340 0.001 0.000 0.223 162 R C 2.202 178.511 176.300 0.015 0.000 1.088 162 R CA 1.072 57.191 56.100 0.031 0.000 0.985 162 R CB -0.146 30.157 30.300 0.005 0.000 0.880 162 R HN 0.600 nan 8.270 nan 0.000 0.451 163 E N 0.365 120.567 120.200 0.003 0.000 2.208 163 E HA -0.081 4.270 4.350 0.001 0.000 0.193 163 E C 1.577 178.181 176.600 0.005 0.000 0.988 163 E CA 0.893 57.290 56.400 -0.004 0.000 0.828 163 E CB 0.119 29.807 29.700 -0.019 0.000 0.763 163 E HN 0.302 nan 8.360 nan 0.000 0.478 164 A N 0.038 122.871 122.820 0.022 0.000 2.208 164 A HA 0.232 4.553 4.320 0.001 0.000 0.209 164 A C 1.641 179.246 177.584 0.036 0.000 1.161 164 A CA 0.814 52.869 52.037 0.031 0.000 0.782 164 A CB -0.207 18.825 19.000 0.052 0.000 0.816 164 A HN 0.314 nan 8.150 nan 0.000 0.477 165 G N -1.387 107.432 108.800 0.033 0.000 2.131 165 G HA2 -0.167 3.793 3.960 0.001 0.000 0.223 165 G HA3 -0.167 3.793 3.960 0.001 0.000 0.223 165 G C -0.067 174.853 174.900 0.032 0.000 0.990 165 G CA 0.239 45.353 45.100 0.023 0.000 0.671 165 G HN 0.407 nan 8.290 nan 0.000 0.521 166 L N 0.036 121.297 121.223 0.063 0.000 2.334 166 L HA 0.661 5.002 4.340 0.001 0.000 0.270 166 L C 0.973 177.892 176.870 0.081 0.000 1.018 166 L CA -1.300 53.592 54.840 0.087 0.000 0.811 166 L CB 1.075 43.220 42.059 0.144 0.000 1.271 166 L HN -0.002 nan 8.230 nan 0.000 0.443 167 R N 0.943 121.472 120.500 0.048 0.000 2.615 167 R HA 0.354 4.695 4.340 0.001 0.000 0.270 167 R C -1.054 175.388 176.300 0.237 0.000 1.081 167 R CA -0.254 55.836 56.100 -0.017 0.000 1.154 167 R CB 0.914 30.953 30.300 -0.435 0.000 1.063 167 R HN 0.364 nan 8.270 nan 0.000 0.519 168 F N -0.066 119.943 119.950 0.097 0.000 2.536 168 F HA 0.519 5.047 4.527 0.000 0.000 0.322 168 F C -0.220 175.720 175.800 0.233 0.000 1.144 168 F CA -0.434 57.670 58.000 0.172 0.000 0.924 168 F CB 1.698 40.779 39.000 0.135 0.000 1.181 168 F HN 0.568 nan 8.300 nan 0.000 0.438 169 G N 3.155 111.724 108.800 -0.385 0.000 2.667 169 G HA2 0.654 4.615 3.960 0.001 0.000 0.310 169 G HA3 0.654 4.615 3.960 0.001 0.000 0.310 169 G C -1.670 172.929 174.900 -0.502 0.000 1.259 169 G CA -0.692 44.288 45.100 -0.200 0.000 1.019 169 G HN 1.092 nan 8.290 nan 0.000 0.496 170 V N -2.281 117.581 119.914 -0.085 0.000 2.623 170 V HA 0.611 4.732 4.120 0.001 0.000 0.304 170 V C -1.067 175.181 176.094 0.258 0.000 1.054 170 V CA -1.285 61.025 62.300 0.016 0.000 0.882 170 V CB 0.979 32.817 31.823 0.026 0.000 1.002 170 V HN 0.799 nan 8.190 nan 0.000 0.424 171 Y N 5.190 125.609 120.300 0.198 0.000 2.304 171 Y HA 0.688 5.238 4.550 0.000 0.000 0.328 171 Y C -1.097 174.992 175.900 0.315 0.000 1.123 171 Y CA -0.359 57.937 58.100 0.325 0.000 1.218 171 Y CB 1.381 40.023 38.460 0.303 0.000 1.207 171 Y HN 0.849 nan 8.280 nan 0.000 0.495 172 Y N 4.310 124.443 120.300 -0.278 0.000 2.433 172 Y HA 0.289 4.839 4.550 -0.000 0.000 0.337 172 Y C -0.814 174.847 175.900 -0.398 0.000 1.026 172 Y CA -0.951 57.061 58.100 -0.148 0.000 1.037 172 Y CB 1.840 40.315 38.460 0.026 0.000 1.245 172 Y HN 0.585 nan 8.280 nan 0.000 0.443 173 S N 4.128 119.400 115.700 -0.715 0.000 3.483 173 S HA 0.251 4.722 4.470 0.001 0.000 0.274 173 S C 1.087 175.409 174.600 -0.465 0.000 1.289 173 S CA 0.407 58.322 58.200 -0.474 0.000 0.938 173 S CB -0.596 62.465 63.200 -0.232 0.000 1.453 173 S HN 1.051 nan 8.310 nan 0.000 0.494 174 G N 2.902 111.594 108.800 -0.180 0.000 2.403 174 G HA2 0.010 3.971 3.960 0.001 0.000 0.216 174 G HA3 0.010 3.971 3.960 0.001 0.000 0.216 174 G C 1.229 176.058 174.900 -0.119 0.000 1.154 174 G CA 0.517 45.583 45.100 -0.057 0.000 0.784 174 G HN 0.715 nan 8.290 nan 0.000 0.538 175 G N -0.701 108.037 108.800 -0.104 0.000 2.551 175 G HA2 0.315 4.276 3.960 0.001 0.000 0.216 175 G HA3 0.315 4.276 3.960 0.001 0.000 0.216 175 G C 0.089 174.876 174.900 -0.188 0.000 1.137 175 G CA 0.185 45.222 45.100 -0.105 0.000 0.798 175 G HN 0.278 nan 8.290 nan 0.000 0.536 176 L N 0.703 121.768 121.223 -0.264 0.000 2.385 176 L HA 0.605 4.946 4.340 0.001 0.000 0.273 176 L C -1.791 174.837 176.870 -0.403 0.000 0.990 176 L CA -0.926 53.675 54.840 -0.399 0.000 0.821 176 L CB 2.492 44.158 42.059 -0.655 0.000 1.279 176 L HN -0.111 nan 8.230 nan 0.000 0.412 177 D N 2.664 122.827 120.400 -0.396 0.000 2.613 177 D HA 0.151 4.792 4.640 0.001 0.000 0.230 177 D C -0.283 176.041 176.300 0.040 0.000 1.365 177 D CA -0.226 53.662 54.000 -0.186 0.000 0.976 177 D CB 0.989 41.788 40.800 -0.001 0.000 1.415 177 D HN 0.374 nan 8.370 nan 0.000 0.589 178 W N 2.504 123.844 121.300 0.067 0.000 3.047 178 W HA 0.085 4.745 4.660 -0.001 0.000 0.250 178 W C 1.651 178.181 176.519 0.019 0.000 1.314 178 W CA -0.292 57.056 57.345 0.006 0.000 1.540 178 W CB -0.251 29.184 29.460 -0.042 0.000 1.127 178 W HN 0.335 nan 8.180 nan 0.000 0.679 179 R N 0.013 120.666 120.500 0.255 0.000 2.241 179 R HA -0.094 4.246 4.340 0.001 0.000 0.224 179 R C 1.082 177.231 176.300 -0.251 0.000 1.101 179 R CA 0.693 56.782 56.100 -0.019 0.000 0.995 179 R CB -1.049 29.213 30.300 -0.063 0.000 0.870 179 R HN 0.151 nan 8.270 nan 0.000 0.463 180 F N -1.293 118.629 119.950 -0.046 0.000 2.682 180 F HA 0.206 4.735 4.527 0.003 0.000 0.308 180 F C 0.779 176.534 175.800 -0.076 0.000 1.093 180 F CA -0.127 57.817 58.000 -0.094 0.000 1.244 180 F CB 0.385 39.267 39.000 -0.196 0.000 1.052 180 F HN -0.200 nan 8.300 nan 0.000 0.573 181 T N -4.065 110.551 114.554 0.103 0.000 2.907 181 T HA 0.482 4.833 4.350 0.001 0.000 0.290 181 T C 0.673 175.365 174.700 -0.013 0.000 1.066 181 T CA 0.132 62.254 62.100 0.036 0.000 1.012 181 T CB 2.030 70.919 68.868 0.035 0.000 1.184 181 T HN 0.001 nan 8.240 nan 0.000 0.522 182 T N -2.734 111.792 114.554 -0.048 0.000 2.964 182 T HA 0.296 4.646 4.350 0.001 0.000 0.250 182 T C 0.326 174.960 174.700 -0.111 0.000 0.982 182 T CA -0.030 62.027 62.100 -0.071 0.000 0.959 182 T CB -0.002 68.835 68.868 -0.052 0.000 1.141 182 T HN 0.583 nan 8.240 nan 0.000 0.494 183 E N 3.811 123.943 120.200 -0.113 0.000 2.301 183 E HA 0.482 4.833 4.350 0.001 0.000 0.275 183 E C -2.443 174.017 176.600 -0.234 0.000 1.030 183 E CA -2.389 53.928 56.400 -0.139 0.000 0.852 183 E CB 1.117 30.764 29.700 -0.088 0.000 1.060 183 E HN 0.275 nan 8.360 nan 0.000 0.401 184 P HA 0.230 nan 4.420 nan 0.000 0.278 184 P C -0.541 176.545 177.300 -0.356 0.000 1.266 184 P CA -0.435 62.441 63.100 -0.373 0.000 0.807 184 P CB 0.737 32.229 31.700 -0.345 0.000 1.094 185 I N 2.154 122.477 120.570 -0.412 0.000 2.312 185 I HA 0.246 4.416 4.170 0.001 0.000 0.291 185 I C 1.675 177.407 176.117 -0.641 0.000 1.031 185 I CA -0.052 60.946 61.300 -0.504 0.000 1.293 185 I CB 0.574 38.250 38.000 -0.541 0.000 1.403 185 I HN 0.421 nan 8.210 nan 0.000 0.484 186 R N 4.074 124.237 120.500 -0.561 0.000 2.225 186 R HA 0.191 4.531 4.340 0.001 0.000 0.194 186 R C -0.486 175.366 176.300 -0.746 0.000 0.957 186 R CA 0.559 56.187 56.100 -0.786 0.000 1.042 186 R CB 0.599 30.542 30.300 -0.594 0.000 1.004 186 R HN 0.462 nan 8.270 nan 0.000 0.509 187 Y N -1.052 119.158 120.300 -0.150 0.000 2.609 187 Y HA 0.263 4.814 4.550 0.001 0.000 0.342 187 Y C -1.767 174.130 175.900 -0.006 0.000 1.058 187 Y CA -2.534 55.630 58.100 0.107 0.000 1.055 187 Y CB 1.680 40.220 38.460 0.133 0.000 1.292 187 Y HN -0.190 nan 8.280 nan 0.000 0.476 188 P HA -0.121 nan 4.420 nan 0.000 0.220 188 P C 0.298 177.669 177.300 0.117 0.000 1.148 188 P CA 1.554 64.806 63.100 0.252 0.000 0.803 188 P CB 0.386 32.234 31.700 0.247 0.000 0.782 189 E N -0.162 120.122 120.200 0.139 0.000 2.268 189 E HA -0.126 4.225 4.350 0.001 0.000 0.195 189 E C 1.749 178.399 176.600 0.083 0.000 0.995 189 E CA 0.730 57.197 56.400 0.111 0.000 0.836 189 E CB -0.732 29.037 29.700 0.116 0.000 0.763 189 E HN 0.333 nan 8.360 nan 0.000 0.491 190 D N 0.347 120.739 120.400 -0.013 0.000 2.178 190 D HA -0.117 4.523 4.640 0.001 0.000 0.201 190 D C 1.710 177.762 176.300 -0.414 0.000 0.980 190 D CA 0.740 54.558 54.000 -0.303 0.000 0.842 190 D CB 0.065 40.685 40.800 -0.301 0.000 0.948 190 D HN 0.245 nan 8.370 nan 0.000 0.472 191 L N 1.211 122.317 121.223 -0.195 0.000 2.265 191 L HA -0.148 4.193 4.340 0.001 0.000 0.215 191 L C 2.544 179.365 176.870 -0.082 0.000 1.117 191 L CA 0.795 55.559 54.840 -0.126 0.000 0.782 191 L CB -0.362 41.683 42.059 -0.022 0.000 0.914 191 L HN 0.030 nan 8.230 nan 0.000 0.441 192 S N -0.494 115.193 115.700 -0.022 0.000 2.481 192 S HA -0.172 4.298 4.470 0.001 0.000 0.231 192 S C 1.433 176.112 174.600 0.132 0.000 0.996 192 S CA 1.009 59.251 58.200 0.069 0.000 0.942 192 S CB -0.285 62.991 63.200 0.127 0.000 0.768 192 S HN 0.706 nan 8.310 nan 0.000 0.520 193 Y N -1.313 118.977 120.300 -0.017 0.000 2.515 193 Y HA 0.549 5.099 4.550 0.001 0.000 0.267 193 Y C 0.337 176.218 175.900 -0.033 0.000 1.058 193 Y CA -1.031 57.055 58.100 -0.024 0.000 1.231 193 Y CB 0.276 38.725 38.460 -0.019 0.000 1.350 193 Y HN 0.133 nan 8.280 nan 0.000 0.554 194 I N 4.399 124.703 120.570 -0.443 0.000 2.234 194 I HA 0.341 4.512 4.170 0.001 0.000 0.287 194 I C -0.384 175.639 176.117 -0.157 0.000 1.131 194 I CA -0.086 61.031 61.300 -0.305 0.000 1.335 194 I CB -0.309 37.433 38.000 -0.430 0.000 1.511 194 I HN 0.140 nan 8.210 nan 0.000 0.588 195 R N 2.993 123.426 120.500 -0.112 0.000 2.867 195 R HA 0.425 4.765 4.340 0.001 0.000 0.268 195 R C -1.927 174.274 176.300 -0.166 0.000 1.014 195 R CA -1.813 54.200 56.100 -0.144 0.000 0.946 195 R CB 0.829 31.049 30.300 -0.132 0.000 1.208 195 R HN -0.102 nan 8.270 nan 0.000 0.477 196 P HA -0.163 nan 4.420 nan 0.000 0.216 196 P C -0.112 177.096 177.300 -0.153 0.000 1.153 196 P CA 1.292 64.187 63.100 -0.341 0.000 0.858 196 P CB 0.259 31.319 31.700 -1.067 0.000 0.789 197 N N -3.620 114.995 118.700 -0.142 0.000 2.946 197 N HA -0.130 4.610 4.740 0.001 0.000 0.228 197 N C 0.057 175.500 175.510 -0.112 0.000 0.873 197 N CA 1.918 54.913 53.050 -0.092 0.000 1.029 197 N CB -2.253 36.203 38.487 -0.052 0.000 1.047 197 N HN 0.374 nan 8.380 nan 0.000 0.612 198 T N -2.842 111.678 114.554 -0.058 0.000 2.918 198 T HA 0.472 4.822 4.350 0.001 0.000 0.283 198 T C 1.267 175.932 174.700 -0.059 0.000 1.001 198 T CA -0.550 61.530 62.100 -0.034 0.000 1.041 198 T CB 0.861 69.787 68.868 0.098 0.000 1.028 198 T HN 0.091 nan 8.240 nan 0.000 0.511 199 Y N 0.033 120.364 120.300 0.053 0.000 2.207 199 Y HA -0.096 4.454 4.550 -0.000 0.000 0.287 199 Y C 2.774 178.697 175.900 0.039 0.000 1.156 199 Y CA 1.661 59.782 58.100 0.035 0.000 1.182 199 Y CB -0.287 38.188 38.460 0.023 0.000 0.979 199 Y HN 0.867 nan 8.280 nan 0.000 0.521 200 E N -0.371 119.963 120.200 0.223 0.000 2.085 200 E HA -0.315 4.036 4.350 0.001 0.000 0.194 200 E C 1.953 178.643 176.600 0.150 0.000 0.994 200 E CA 1.561 58.072 56.400 0.185 0.000 0.801 200 E CB -0.409 29.418 29.700 0.212 0.000 0.743 200 E HN 0.593 nan 8.360 nan 0.000 0.453 201 Y N 0.479 120.746 120.300 -0.055 0.000 2.263 201 Y HA -0.055 4.495 4.550 -0.000 0.000 0.292 201 Y C 2.046 177.864 175.900 -0.136 0.000 1.130 201 Y CA 1.383 59.326 58.100 -0.261 0.000 1.179 201 Y CB -0.539 37.598 38.460 -0.538 0.000 0.998 201 Y HN 0.144 nan 8.280 nan 0.000 0.532 202 A N 0.152 122.882 122.820 -0.150 0.000 1.908 202 A HA -0.204 4.117 4.320 0.001 0.000 0.218 202 A C 1.948 179.472 177.584 -0.100 0.000 1.181 202 A CA 2.075 54.003 52.037 -0.183 0.000 0.627 202 A CB -0.808 18.179 19.000 -0.021 0.000 0.818 202 A HN 0.517 nan 8.150 nan 0.000 0.445 203 D N -1.694 118.695 120.400 -0.020 0.000 2.117 203 D HA -0.153 4.488 4.640 0.001 0.000 0.197 203 D C 1.699 177.998 176.300 -0.003 0.000 0.987 203 D CA 1.576 55.587 54.000 0.018 0.000 0.829 203 D CB -0.521 40.300 40.800 0.034 0.000 0.961 203 D HN 0.599 nan 8.370 nan 0.000 0.460 204 Y N 1.666 121.849 120.300 -0.196 0.000 2.165 204 Y HA -0.194 4.357 4.550 0.000 0.000 0.286 204 Y C 2.226 177.983 175.900 -0.239 0.000 1.155 204 Y CA 1.734 59.709 58.100 -0.209 0.000 1.164 204 Y CB -0.366 38.013 38.460 -0.135 0.000 0.978 204 Y HN -0.051 nan 8.280 nan 0.000 0.513 205 A N -0.714 121.823 122.820 -0.472 0.000 1.898 205 A HA -0.198 4.123 4.320 0.001 0.000 0.216 205 A C 2.153 179.724 177.584 -0.022 0.000 1.181 205 A CA 1.465 53.246 52.037 -0.426 0.000 0.620 205 A CB -1.546 16.892 19.000 -0.936 0.000 0.819 205 A HN 0.707 nan 8.150 nan 0.000 0.442 206 Y N 0.930 121.251 120.300 0.035 0.000 2.097 206 Y HA -0.212 4.338 4.550 -0.000 0.000 0.282 206 Y C 2.217 178.060 175.900 -0.095 0.000 1.152 206 Y CA 2.364 60.542 58.100 0.129 0.000 1.136 206 Y CB -0.193 38.311 38.460 0.073 0.000 0.975 206 Y HN 0.225 nan 8.280 nan 0.000 0.498 207 K N -0.202 120.085 120.400 -0.188 0.000 2.147 207 K HA -0.188 4.133 4.320 0.001 0.000 0.205 207 K C 2.110 178.522 176.600 -0.313 0.000 1.049 207 K CA 1.599 57.645 56.287 -0.401 0.000 0.936 207 K CB -0.174 31.874 32.500 -0.754 0.000 0.722 207 K HN 0.545 nan 8.250 nan 0.000 0.446 208 Q N 0.249 119.874 119.800 -0.292 0.000 2.123 208 Q HA -0.073 4.267 4.340 0.001 0.000 0.199 208 Q C 2.172 178.065 176.000 -0.179 0.000 0.966 208 Q CA 1.016 56.777 55.803 -0.070 0.000 0.845 208 Q CB 0.172 28.833 28.738 -0.128 0.000 0.907 208 Q HN 0.118 nan 8.270 nan 0.000 0.439 209 V N 0.738 120.436 119.914 -0.360 0.000 2.453 209 V HA -0.204 3.916 4.120 0.001 0.000 0.247 209 V C 2.251 178.193 176.094 -0.253 0.000 1.048 209 V CA 1.102 63.206 62.300 -0.327 0.000 1.049 209 V CB -0.375 31.326 31.823 -0.203 0.000 0.672 209 V HN 0.394 nan 8.190 nan 0.000 0.457 210 M N -0.190 119.203 119.600 -0.345 0.000 2.213 210 M HA -0.196 4.285 4.480 0.001 0.000 0.263 210 M C 2.200 178.424 176.300 -0.127 0.000 1.062 210 M CA 1.730 56.827 55.300 -0.339 0.000 1.105 210 M CB -0.705 31.525 32.600 -0.616 0.000 1.385 210 M HN 0.533 nan 8.290 nan 0.000 0.417 211 E N 0.389 120.562 120.200 -0.046 0.000 2.112 211 E HA -0.119 4.231 4.350 0.001 0.000 0.190 211 E C 2.062 178.652 176.600 -0.017 0.000 0.979 211 E CA 0.556 57.003 56.400 0.078 0.000 0.814 211 E CB 0.098 29.990 29.700 0.320 0.000 0.762 211 E HN 0.447 nan 8.360 nan 0.000 0.460 212 L N 0.277 121.444 121.223 -0.092 0.000 2.083 212 L HA -0.157 4.183 4.340 0.001 0.000 0.209 212 L C 2.476 179.346 176.870 -0.001 0.000 1.083 212 L CA 0.624 55.395 54.840 -0.115 0.000 0.752 212 L CB -0.278 41.651 42.059 -0.215 0.000 0.899 212 L HN 0.094 nan 8.230 nan 0.000 0.433 213 V N -0.246 119.669 119.914 0.003 0.000 2.295 213 V HA -0.285 3.836 4.120 0.001 0.000 0.246 213 V C 2.080 178.230 176.094 0.094 0.000 1.049 213 V CA 1.921 64.283 62.300 0.105 0.000 1.024 213 V CB -0.467 31.458 31.823 0.169 0.000 0.648 213 V HN 0.427 nan 8.190 nan 0.000 0.447 214 D N -0.351 120.085 120.400 0.060 0.000 2.144 214 D HA -0.097 4.543 4.640 0.001 0.000 0.200 214 D C 1.898 178.143 176.300 -0.092 0.000 0.978 214 D CA 0.992 55.012 54.000 0.034 0.000 0.833 214 D CB -0.074 40.759 40.800 0.056 0.000 0.961 214 D HN 0.229 nan 8.370 nan 0.000 0.470 215 L N -1.017 120.051 121.223 -0.259 0.000 2.127 215 L HA -0.013 4.327 4.340 0.001 0.000 0.203 215 L C 1.406 177.895 176.870 -0.634 0.000 1.080 215 L CA 1.444 55.928 54.840 -0.593 0.000 0.768 215 L CB -0.571 40.825 42.059 -1.104 0.000 0.924 215 L HN 0.147 nan 8.230 nan 0.000 0.444 216 Y N -3.036 117.282 120.300 0.029 0.000 2.432 216 Y HA 0.360 4.910 4.550 0.000 0.000 0.252 216 Y C 0.766 176.714 175.900 0.080 0.000 1.097 216 Y CA -0.836 57.292 58.100 0.047 0.000 1.250 216 Y CB 0.549 39.065 38.460 0.094 0.000 1.245 216 Y HN -0.292 nan 8.280 nan 0.000 0.522 217 L N 2.454 123.778 121.223 0.168 0.000 3.895 217 L HA -0.189 4.151 4.340 0.001 0.000 0.511 217 L C -2.599 174.405 176.870 0.224 0.000 1.222 217 L CA -0.595 54.326 54.840 0.134 0.000 0.739 217 L CB -0.592 41.425 42.059 -0.070 0.000 1.425 217 L HN 0.035 nan 8.230 nan 0.000 0.817 218 P HA 0.026 nan 4.420 nan 0.000 0.269 218 P C 0.434 178.075 177.300 0.568 0.000 1.209 218 P CA -0.102 63.253 63.100 0.425 0.000 0.776 218 P CB 0.504 32.376 31.700 0.286 0.000 0.876 219 D N 0.310 121.015 120.400 0.508 0.000 2.317 219 D HA 0.008 4.648 4.640 0.001 0.000 0.211 219 D C 0.291 176.959 176.300 0.614 0.000 0.966 219 D CA 1.163 55.514 54.000 0.585 0.000 0.876 219 D CB 0.271 41.240 40.800 0.282 0.000 0.927 219 D HN 0.103 nan 8.370 nan 0.000 0.519 220 V N 1.344 121.544 119.914 0.476 0.000 2.760 220 V HA 0.254 4.374 4.120 0.001 0.000 0.309 220 V C -0.757 175.530 176.094 0.322 0.000 1.077 220 V CA -0.850 61.701 62.300 0.419 0.000 0.910 220 V CB 2.770 34.839 31.823 0.409 0.000 1.008 220 V HN -0.186 nan 8.190 nan 0.000 0.424 221 L N 3.867 125.260 121.223 0.283 0.000 2.313 221 L HA 0.438 4.779 4.340 0.001 0.000 0.273 221 L C -0.906 176.158 176.870 0.322 0.000 1.028 221 L CA -0.096 54.884 54.840 0.233 0.000 0.871 221 L CB 0.812 42.923 42.059 0.087 0.000 1.242 221 L HN 0.805 nan 8.230 nan 0.000 0.434 222 W N 4.389 125.752 121.300 0.104 0.000 2.228 222 W HA 0.313 4.973 4.660 0.000 0.000 0.364 222 W C 0.686 177.061 176.519 -0.239 0.000 0.917 222 W CA -0.383 56.974 57.345 0.020 0.000 1.513 222 W CB 0.537 30.087 29.460 0.149 0.000 1.494 222 W HN 0.482 nan 8.180 nan 0.000 0.346 223 N N 2.530 120.886 118.700 -0.574 0.000 2.467 223 N HA 0.122 4.863 4.740 0.001 0.000 0.262 223 N C -1.031 174.107 175.510 -0.621 0.000 1.234 223 N CA 0.526 53.100 53.050 -0.794 0.000 0.952 223 N CB 0.844 38.261 38.487 -1.783 0.000 1.158 223 N HN 0.255 nan 8.380 nan 0.000 0.463 224 D N 1.084 121.220 120.400 -0.440 0.000 2.732 224 D HA 0.369 5.010 4.640 0.001 0.000 0.229 224 D C -0.430 175.793 176.300 -0.128 0.000 1.152 224 D CA -0.180 53.690 54.000 -0.216 0.000 0.854 224 D CB 0.748 41.510 40.800 -0.063 0.000 1.590 224 D HN 0.460 nan 8.370 nan 0.000 0.468 225 M N 1.151 120.720 119.600 -0.051 0.000 2.818 225 M HA -0.093 4.387 4.480 0.001 0.000 0.204 225 M C 0.561 176.841 176.300 -0.032 0.000 0.552 225 M CA 1.152 56.431 55.300 -0.035 0.000 0.687 225 M CB -2.497 30.040 32.600 -0.105 0.000 2.512 225 M HN 0.906 nan 8.290 nan 0.000 0.563 226 G N -0.447 108.337 108.800 -0.027 0.000 2.855 226 G HA2 -0.201 3.760 3.960 0.001 0.000 0.352 226 G HA3 -0.201 3.760 3.960 0.001 0.000 0.352 226 G C -0.688 174.328 174.900 0.193 0.000 1.415 226 G CA -0.107 45.035 45.100 0.070 0.000 0.871 226 G HN 0.714 nan 8.290 nan 0.000 0.543 227 W N 1.471 122.813 121.300 0.071 0.000 2.666 227 W HA 0.538 5.199 4.660 0.001 0.000 0.334 227 W C -1.860 174.727 176.519 0.113 0.000 1.051 227 W CA -1.755 55.671 57.345 0.135 0.000 1.224 227 W CB 2.041 31.651 29.460 0.251 0.000 1.405 227 W HN 0.614 nan 8.180 nan 0.000 0.513 228 P HA -0.144 nan 4.420 nan 0.000 0.263 228 P C 0.359 177.704 177.300 0.075 0.000 1.175 228 P CA 0.774 63.829 63.100 -0.074 0.000 0.761 228 P CB 0.910 32.515 31.700 -0.159 0.000 0.794 229 E N 3.260 123.495 120.200 0.059 0.000 2.110 229 E HA -0.200 4.151 4.350 0.001 0.000 0.193 229 E C 1.560 178.214 176.600 0.090 0.000 0.988 229 E CA 1.683 58.135 56.400 0.087 0.000 0.804 229 E CB -0.300 29.427 29.700 0.044 0.000 0.745 229 E HN 0.369 nan 8.360 nan 0.000 0.458 230 K N -1.412 119.003 120.400 0.024 0.000 2.280 230 K HA -0.017 4.303 4.320 0.001 0.000 0.202 230 K C 1.330 178.003 176.600 0.122 0.000 1.047 230 K CA 1.058 57.359 56.287 0.024 0.000 0.942 230 K CB 0.057 32.464 32.500 -0.157 0.000 0.739 230 K HN 0.182 nan 8.250 nan 0.000 0.457 231 G N -0.137 108.770 108.800 0.177 0.000 3.774 231 G HA2 0.039 3.999 3.960 0.001 0.000 0.287 231 G HA3 0.039 3.999 3.960 0.001 0.000 0.287 231 G C 0.579 175.746 174.900 0.446 0.000 1.030 231 G CA -0.351 44.922 45.100 0.287 0.000 0.824 231 G HN 0.044 nan 8.290 nan 0.000 0.518 232 K N 0.448 121.073 120.400 0.375 0.000 2.097 232 K HA -0.035 4.285 4.320 0.001 0.000 0.206 232 K C 1.780 178.520 176.600 0.233 0.000 1.049 232 K CA 0.801 57.283 56.287 0.324 0.000 0.933 232 K CB 0.174 32.828 32.500 0.258 0.000 0.717 232 K HN 0.140 nan 8.250 nan 0.000 0.442 233 E N 0.867 121.193 120.200 0.210 0.000 2.427 233 E HA -0.105 4.245 4.350 0.001 0.000 0.196 233 E C 1.034 177.689 176.600 0.092 0.000 1.028 233 E CA 0.652 57.153 56.400 0.169 0.000 0.864 233 E CB 0.073 29.865 29.700 0.154 0.000 0.813 233 E HN 0.269 nan 8.360 nan 0.000 0.514 234 D N 0.673 121.123 120.400 0.082 0.000 2.218 234 D HA -0.104 4.537 4.640 0.001 0.000 0.204 234 D C 1.957 178.239 176.300 -0.030 0.000 0.976 234 D CA 0.525 54.545 54.000 0.034 0.000 0.853 234 D CB -0.091 40.666 40.800 -0.072 0.000 0.939 234 D HN 0.223 nan 8.370 nan 0.000 0.481 235 L N 0.444 121.501 121.223 -0.276 0.000 2.291 235 L HA -0.088 4.252 4.340 0.001 0.000 0.214 235 L C 2.197 178.534 176.870 -0.888 0.000 1.120 235 L CA 0.774 55.149 54.840 -0.774 0.000 0.799 235 L CB -0.227 41.172 42.059 -1.101 0.000 0.925 235 L HN -0.039 nan 8.230 nan 0.000 0.446 236 K N -0.163 119.733 120.400 -0.841 0.000 2.044 236 K HA -0.219 4.102 4.320 0.001 0.000 0.210 236 K C 2.023 178.211 176.600 -0.686 0.000 1.049 236 K CA 1.867 57.508 56.287 -1.077 0.000 0.927 236 K CB -0.367 31.331 32.500 -1.336 0.000 0.713 236 K HN 0.250 nan 8.250 nan 0.000 0.443 237 Y N 0.665 120.767 120.300 -0.330 0.000 2.263 237 Y HA -0.105 4.446 4.550 0.002 0.000 0.292 237 Y C 2.248 178.098 175.900 -0.084 0.000 1.130 237 Y CA 0.611 58.621 58.100 -0.151 0.000 1.179 237 Y CB -0.236 38.162 38.460 -0.102 0.000 0.998 237 Y HN -0.008 nan 8.280 nan 0.000 0.532 238 L N -1.096 120.110 121.223 -0.028 0.000 2.056 238 L HA -0.173 4.168 4.340 0.001 0.000 0.207 238 L C 2.080 178.934 176.870 -0.027 0.000 1.078 238 L CA 1.414 56.189 54.840 -0.109 0.000 0.749 238 L CB -0.354 41.512 42.059 -0.321 0.000 0.901 238 L HN 0.214 nan 8.230 nan 0.000 0.433 239 F N -0.783 118.948 119.950 -0.366 0.000 2.146 239 F HA -0.196 4.331 4.527 0.001 0.000 0.298 239 F C 2.585 178.061 175.800 -0.541 0.000 1.096 239 F CA 0.310 57.956 58.000 -0.590 0.000 1.275 239 F CB -0.342 38.299 39.000 -0.599 0.000 1.008 239 F HN 0.216 nan 8.300 nan 0.000 0.480 240 A N -0.213 122.556 122.820 -0.086 0.000 1.898 240 A HA -0.275 4.046 4.320 0.001 0.000 0.216 240 A C 1.878 179.526 177.584 0.107 0.000 1.181 240 A CA 1.368 53.413 52.037 0.014 0.000 0.620 240 A CB -1.431 17.569 19.000 -0.000 0.000 0.819 240 A HN 0.509 nan 8.150 nan 0.000 0.442 241 Y N -1.173 119.131 120.300 0.008 0.000 2.128 241 Y HA -0.322 4.229 4.550 0.001 0.000 0.284 241 Y C 2.242 178.188 175.900 0.076 0.000 1.154 241 Y CA 2.252 60.382 58.100 0.050 0.000 1.149 241 Y CB -0.574 37.912 38.460 0.044 0.000 0.976 241 Y HN 0.474 nan 8.280 nan 0.000 0.505 242 Y N -1.071 119.244 120.300 0.025 0.000 2.133 242 Y HA -0.339 4.212 4.550 0.001 0.000 0.287 242 Y C 2.069 177.956 175.900 -0.021 0.000 1.134 242 Y CA 1.812 59.877 58.100 -0.057 0.000 1.133 242 Y CB -0.706 37.641 38.460 -0.188 0.000 0.987 242 Y HN 0.110 nan 8.280 nan 0.000 0.502 243 Y N 0.789 120.932 120.300 -0.261 0.000 2.224 243 Y HA -0.232 4.319 4.550 0.002 0.000 0.289 243 Y C 2.280 178.147 175.900 -0.056 0.000 1.146 243 Y CA 1.114 58.979 58.100 -0.391 0.000 1.182 243 Y CB -1.083 36.925 38.460 -0.754 0.000 0.983 243 Y HN 0.291 nan 8.280 nan 0.000 0.524 244 N N 0.190 118.996 118.700 0.178 0.000 2.244 244 N HA -0.117 4.624 4.740 0.001 0.000 0.183 244 N C 1.542 177.063 175.510 0.018 0.000 1.016 244 N CA 1.103 54.232 53.050 0.131 0.000 0.866 244 N CB -0.176 38.355 38.487 0.074 0.000 0.980 244 N HN 0.387 nan 8.380 nan 0.000 0.430 245 K N -1.033 119.332 120.400 -0.059 0.000 2.314 245 K HA -0.003 4.318 4.320 0.001 0.000 0.198 245 K C -0.042 176.589 176.600 0.052 0.000 1.045 245 K CA 0.512 56.761 56.287 -0.063 0.000 0.988 245 K CB 0.247 32.654 32.500 -0.155 0.000 0.783 245 K HN 0.110 nan 8.250 nan 0.000 0.484 246 H N -0.655 118.343 119.070 -0.119 0.000 2.809 246 H HA 0.183 4.740 4.556 0.001 0.000 0.268 246 H C -2.643 172.629 175.328 -0.094 0.000 1.403 246 H CA -2.103 53.872 56.048 -0.122 0.000 1.564 246 H CB 0.953 30.591 29.762 -0.207 0.000 1.834 246 H HN -0.142 nan 8.280 nan 0.000 0.613 247 P HA -0.096 nan 4.420 nan 0.000 0.220 247 P C 0.745 178.040 177.300 -0.008 0.000 1.148 247 P CA 1.148 64.284 63.100 0.059 0.000 0.803 247 P CB 0.439 32.210 31.700 0.119 0.000 0.782 248 E N -0.453 119.635 120.200 -0.187 0.000 2.502 248 E HA 0.100 4.451 4.350 0.001 0.000 0.194 248 E C 1.231 177.775 176.600 -0.094 0.000 1.062 248 E CA -0.297 56.056 56.400 -0.078 0.000 0.867 248 E CB -0.272 29.426 29.700 -0.003 0.000 0.888 248 E HN 0.205 nan 8.360 nan 0.000 0.510 249 G N 1.090 109.633 108.800 -0.429 0.000 2.606 249 G HA2 0.239 4.200 3.960 0.001 0.000 0.252 249 G HA3 0.239 4.200 3.960 0.001 0.000 0.252 249 G C -0.094 174.999 174.900 0.322 0.000 1.206 249 G CA -0.157 44.907 45.100 -0.061 0.000 0.861 249 G HN 0.158 nan 8.290 nan 0.000 0.561 250 S N -1.808 114.205 115.700 0.521 0.000 2.651 250 S HA 0.765 5.236 4.470 0.001 0.000 0.279 250 S C -1.334 173.486 174.600 0.367 0.000 1.148 250 S CA -0.831 57.606 58.200 0.396 0.000 0.837 250 S CB 2.316 65.570 63.200 0.090 0.000 1.138 250 S HN 0.928 nan 8.310 nan 0.000 0.478 251 V N 2.673 122.687 119.914 0.167 0.000 2.777 251 V HA 0.446 4.567 4.120 0.001 0.000 0.306 251 V C -0.678 175.223 176.094 -0.323 0.000 1.112 251 V CA -0.763 61.523 62.300 -0.024 0.000 0.917 251 V CB 1.990 33.566 31.823 -0.412 0.000 1.018 251 V HN 1.137 nan 8.190 nan 0.000 0.426 252 N N 3.539 121.992 118.700 -0.413 0.000 2.381 252 N HA 0.175 4.915 4.740 0.001 0.000 0.289 252 N C 0.112 175.373 175.510 -0.414 0.000 1.288 252 N CA 0.040 52.458 53.050 -1.053 0.000 0.960 252 N CB 0.456 38.196 38.487 -1.246 0.000 1.116 252 N HN 0.698 nan 8.380 nan 0.000 0.557 253 D N -2.174 117.887 120.400 -0.565 0.000 2.559 253 D HA 0.108 4.749 4.640 0.001 0.000 0.234 253 D C -0.148 175.978 176.300 -0.290 0.000 1.226 253 D CA -0.210 53.564 54.000 -0.376 0.000 0.830 253 D CB -0.241 40.061 40.800 -0.830 0.000 1.028 253 D HN 0.483 nan 8.370 nan 0.000 0.492 254 R N 0.146 120.401 120.500 -0.409 0.000 2.791 254 R HA 0.220 4.561 4.340 0.001 0.000 0.357 254 R C -0.196 175.908 176.300 -0.327 0.000 1.173 254 R CA -0.301 55.568 56.100 -0.386 0.000 1.060 254 R CB -0.062 29.927 30.300 -0.519 0.000 1.406 254 R HN 0.170 nan 8.270 nan 0.000 0.580 255 W N -0.348 120.947 121.300 -0.009 0.000 3.013 255 W HA 0.269 4.929 4.660 0.000 0.000 0.280 255 W C 1.266 177.841 176.519 0.093 0.000 1.249 255 W CA 0.233 57.635 57.345 0.095 0.000 1.577 255 W CB 0.418 29.915 29.460 0.061 0.000 1.057 255 W HN 0.283 nan 8.180 nan 0.000 0.613 256 G N 1.591 110.527 108.800 0.226 0.000 2.246 256 G HA2 -0.098 3.863 3.960 0.001 0.000 0.273 256 G HA3 -0.098 3.863 3.960 0.001 0.000 0.273 256 G C -0.202 174.742 174.900 0.074 0.000 1.055 256 G CA 0.293 45.469 45.100 0.127 0.000 0.851 256 G HN 0.559 nan 8.290 nan 0.000 0.500 257 V N -4.468 115.465 119.914 0.031 0.000 3.141 257 V HA 0.896 5.016 4.120 0.001 0.000 0.312 257 V C -1.113 174.794 176.094 -0.312 0.000 1.157 257 V CA -1.433 60.718 62.300 -0.248 0.000 1.041 257 V CB 1.497 33.062 31.823 -0.430 0.000 1.071 257 V HN -0.052 nan 8.190 nan 0.000 0.441 258 P HA 0.041 nan 4.420 nan 0.000 0.228 258 P C -0.070 177.070 177.300 -0.267 0.000 1.151 258 P CA 1.221 64.067 63.100 -0.423 0.000 0.770 258 P CB -0.262 31.096 31.700 -0.570 0.000 0.786 259 H N 0.417 119.293 119.070 -0.324 0.000 2.459 259 H HA 0.431 4.988 4.556 0.001 0.000 0.332 259 H C -0.888 174.435 175.328 -0.009 0.000 1.094 259 H CA -0.821 55.143 56.048 -0.140 0.000 1.224 259 H CB 0.568 30.453 29.762 0.206 0.000 1.449 259 H HN 0.014 nan 8.280 nan 0.000 0.484 260 W N 4.130 125.006 121.300 -0.708 0.000 3.248 260 W HA 0.279 4.939 4.660 0.001 0.000 0.311 260 W C -1.099 175.066 176.519 -0.589 0.000 1.258 260 W CA -0.712 56.248 57.345 -0.642 0.000 1.191 260 W CB 0.887 30.144 29.460 -0.338 0.000 1.389 260 W HN 0.421 nan 8.180 nan 0.000 0.561 261 D N 1.096 121.447 120.400 -0.081 0.000 2.277 261 D HA 0.098 4.739 4.640 0.001 0.000 0.209 261 D C 0.155 176.726 176.300 0.451 0.000 0.970 261 D CA 1.294 55.358 54.000 0.108 0.000 0.874 261 D CB 0.590 41.475 40.800 0.142 0.000 0.982 261 D HN 0.265 nan 8.370 nan 0.000 0.504 262 F N -0.994 119.164 119.950 0.347 0.000 2.654 262 F HA 0.527 5.055 4.527 0.001 0.000 0.308 262 F C -0.581 175.249 175.800 0.051 0.000 1.108 262 F CA -1.366 56.830 58.000 0.328 0.000 0.957 262 F CB 1.298 40.442 39.000 0.241 0.000 1.309 262 F HN -0.522 nan 8.300 nan 0.000 0.446 263 K N 0.871 121.327 120.400 0.094 0.000 2.090 263 K HA 0.726 5.046 4.320 0.001 0.000 0.249 263 K C -0.486 176.263 176.600 0.248 0.000 0.995 263 K CA -0.573 55.589 56.287 -0.210 0.000 0.914 263 K CB 1.902 34.198 32.500 -0.339 0.000 1.057 263 K HN 0.926 nan 8.250 nan 0.000 0.462 264 T N -2.383 112.239 114.554 0.112 0.000 2.887 264 T HA 0.835 5.186 4.350 0.001 0.000 0.292 264 T C -1.038 173.849 174.700 0.311 0.000 1.087 264 T CA -1.038 61.254 62.100 0.320 0.000 1.009 264 T CB 1.954 70.944 68.868 0.203 0.000 1.203 264 T HN 0.635 nan 8.240 nan 0.000 0.518 265 A N 0.485 123.563 122.820 0.431 0.000 2.605 265 A HA 0.789 5.110 4.320 0.001 0.000 0.294 265 A C -1.184 176.644 177.584 0.408 0.000 1.062 265 A CA -0.886 51.395 52.037 0.408 0.000 0.682 265 A CB 1.435 20.728 19.000 0.487 0.000 1.278 265 A HN 0.904 nan 8.150 nan 0.000 0.410 276 P HA 0.301 nan 4.420 nan 0.000 0.271 276 P C 0.748 177.952 177.300 -0.160 0.000 1.216 276 P CA -0.302 62.624 63.100 -0.290 0.000 0.776 276 P CB 1.114 32.395 31.700 -0.699 0.000 0.881 277 G N 0.628 109.385 108.800 -0.071 0.000 2.603 277 G HA2 0.033 3.993 3.960 0.001 0.000 0.214 277 G HA3 0.033 3.993 3.960 0.001 0.000 0.214 277 G C 0.152 175.140 174.900 0.147 0.000 1.140 277 G CA 0.061 45.199 45.100 0.064 0.000 0.800 277 G HN 0.638 nan 8.290 nan 0.000 0.533 278 Y N -0.440 119.998 120.300 0.230 0.000 2.458 278 Y HA 0.786 5.336 4.550 0.001 0.000 0.322 278 Y C 0.210 176.342 175.900 0.387 0.000 1.259 278 Y CA -2.171 56.121 58.100 0.320 0.000 1.302 278 Y CB 0.860 39.600 38.460 0.468 0.000 1.314 278 Y HN -0.171 nan 8.280 nan 0.000 0.509 279 K N 2.807 123.558 120.400 0.586 0.000 2.143 279 K HA 0.339 4.660 4.320 0.001 0.000 0.272 279 K C -1.213 175.823 176.600 0.728 0.000 1.001 279 K CA -0.616 55.967 56.287 0.492 0.000 0.915 279 K CB 0.433 33.172 32.500 0.397 0.000 1.047 279 K HN 0.844 nan 8.250 nan 0.000 0.458 280 W N 1.887 123.394 121.300 0.345 0.000 3.040 280 W HA 0.608 5.268 4.660 0.001 0.000 0.344 280 W C -1.370 175.361 176.519 0.353 0.000 1.201 280 W CA -0.841 56.743 57.345 0.398 0.000 1.119 280 W CB 0.733 30.385 29.460 0.320 0.000 1.478 280 W HN 0.638 nan 8.180 nan 0.000 0.586 281 E N 1.427 121.939 120.200 0.521 0.000 2.294 281 E HA 0.288 4.638 4.350 0.001 0.000 0.272 281 E C -2.189 174.733 176.600 0.537 0.000 0.896 281 E CA -0.616 55.970 56.400 0.311 0.000 0.802 281 E CB 2.027 32.003 29.700 0.459 0.000 1.267 281 E HN 0.289 nan 8.360 nan 0.000 0.406 282 F N 3.639 123.731 119.950 0.237 0.000 2.438 282 F HA 0.306 4.834 4.527 0.002 0.000 0.356 282 F C -0.057 175.927 175.800 0.306 0.000 1.099 282 F CA 0.190 58.410 58.000 0.367 0.000 1.185 282 F CB 1.416 40.614 39.000 0.330 0.000 1.115 282 F HN 0.255 nan 8.300 nan 0.000 0.526 283 T N 7.321 121.768 114.554 -0.179 0.000 2.797 283 T HA 0.686 5.036 4.350 0.001 0.000 0.279 283 T C -0.806 173.669 174.700 -0.375 0.000 0.991 283 T CA -0.608 61.436 62.100 -0.093 0.000 0.979 283 T CB 0.481 69.524 68.868 0.292 0.000 0.943 283 T HN 0.961 nan 8.240 nan 0.000 0.444 284 R N 2.389 122.760 120.500 -0.216 0.000 2.710 284 R HA 0.745 5.085 4.340 0.001 0.000 0.270 284 R C -0.251 175.927 176.300 -0.203 0.000 1.021 284 R CA -1.064 54.904 56.100 -0.220 0.000 0.889 284 R CB 0.706 30.838 30.300 -0.279 0.000 1.243 284 R HN 0.727 nan 8.270 nan 0.000 0.464 285 G N 0.946 109.439 108.800 -0.511 0.000 2.528 285 G HA2 0.338 4.298 3.960 0.001 0.000 0.289 285 G HA3 0.338 4.298 3.960 0.001 0.000 0.289 285 G C 0.635 175.385 174.900 -0.250 0.000 1.192 285 G CA -1.063 43.749 45.100 -0.480 0.000 0.921 285 G HN 0.602 nan 8.290 nan 0.000 0.512 286 I N 0.600 121.064 120.570 -0.177 0.000 2.226 286 I HA -0.018 4.152 4.170 0.001 0.000 0.245 286 I C 2.073 178.120 176.117 -0.116 0.000 1.100 286 I CA 1.307 62.543 61.300 -0.107 0.000 1.374 286 I CB -0.267 37.691 38.000 -0.070 0.000 1.057 286 I HN 0.516 nan 8.210 nan 0.000 0.413 287 G N -0.390 108.312 108.800 -0.162 0.000 2.736 287 G HA2 0.310 4.271 3.960 0.001 0.000 0.229 287 G HA3 0.310 4.271 3.960 0.001 0.000 0.229 287 G C 0.318 175.086 174.900 -0.220 0.000 1.380 287 G CA -0.347 44.666 45.100 -0.144 0.000 1.040 287 G HN 0.062 nan 8.290 nan 0.000 0.568 288 L N -0.285 120.817 121.223 -0.202 0.000 2.145 288 L HA 0.316 4.657 4.340 0.001 0.000 0.201 288 L C 1.671 178.331 176.870 -0.350 0.000 1.075 288 L CA 1.166 55.879 54.840 -0.211 0.000 0.773 288 L CB -0.539 41.430 42.059 -0.150 0.000 0.936 288 L HN 0.429 nan 8.230 nan 0.000 0.451 289 S N -1.562 113.945 115.700 -0.323 0.000 2.585 289 S HA 0.143 4.614 4.470 0.001 0.000 0.273 289 S C 0.906 175.166 174.600 -0.568 0.000 1.339 289 S CA -0.233 57.749 58.200 -0.364 0.000 1.028 289 S CB 0.249 63.328 63.200 -0.201 0.000 0.906 289 S HN 0.267 nan 8.310 nan 0.000 0.528 290 F N 2.158 121.794 119.950 -0.523 0.000 2.274 290 F HA 0.296 4.824 4.527 0.001 0.000 0.288 290 F C 1.904 177.522 175.800 -0.303 0.000 1.069 290 F CA 0.572 58.219 58.000 -0.587 0.000 1.343 290 F CB -0.719 37.668 39.000 -1.022 0.000 1.089 290 F HN 0.692 nan 8.300 nan 0.000 0.517 291 G N -1.248 107.562 108.800 0.016 0.000 2.572 291 G HA2 0.081 4.042 3.960 0.001 0.000 0.261 291 G HA3 0.081 4.042 3.960 0.001 0.000 0.261 291 G C -1.339 173.658 174.900 0.160 0.000 1.197 291 G CA -0.368 44.847 45.100 0.192 0.000 0.870 291 G HN 0.128 nan 8.290 nan 0.000 0.548 292 Y N 1.388 121.761 120.300 0.121 0.000 2.721 292 Y HA 0.155 4.706 4.550 0.001 0.000 0.329 292 Y C 0.081 176.008 175.900 0.046 0.000 1.211 292 Y CA -0.290 57.848 58.100 0.064 0.000 1.512 292 Y CB 0.404 38.918 38.460 0.091 0.000 1.249 292 Y HN 0.453 nan 8.280 nan 0.000 0.549 293 N N 5.189 123.526 118.700 -0.606 0.000 2.399 293 N HA 0.285 5.026 4.740 0.001 0.000 0.284 293 N C 0.054 175.098 175.510 -0.778 0.000 1.025 293 N CA -0.814 51.860 53.050 -0.627 0.000 0.885 293 N CB 1.123 39.389 38.487 -0.367 0.000 1.339 293 N HN 0.749 nan 8.380 nan 0.000 0.487 294 R N 2.241 122.324 120.500 -0.696 0.000 2.075 294 R HA 0.086 4.427 4.340 0.001 0.000 0.226 294 R C 0.954 177.126 176.300 -0.214 0.000 1.114 294 R CA 0.452 56.341 56.100 -0.351 0.000 0.972 294 R CB -0.283 29.965 30.300 -0.087 0.000 0.869 294 R HN 0.371 nan 8.270 nan 0.000 0.437 295 N N 1.555 120.063 118.700 -0.319 0.000 2.430 295 N HA -0.106 4.635 4.740 0.001 0.000 0.186 295 N C -0.165 175.227 175.510 -0.197 0.000 1.032 295 N CA 0.685 53.552 53.050 -0.305 0.000 0.893 295 N CB -0.040 38.059 38.487 -0.648 0.000 0.957 295 N HN 0.331 nan 8.380 nan 0.000 0.442 296 E N 0.372 120.457 120.200 -0.192 0.000 2.328 296 E HA 0.128 4.478 4.350 0.001 0.000 0.265 296 E C 0.458 177.078 176.600 0.033 0.000 1.057 296 E CA -0.341 56.028 56.400 -0.052 0.000 0.916 296 E CB 0.421 30.059 29.700 -0.103 0.000 0.993 296 E HN 0.242 nan 8.360 nan 0.000 0.446 297 G N 4.069 112.947 108.800 0.131 0.000 2.667 297 G HA2 0.048 4.008 3.960 0.001 0.000 0.250 297 G HA3 0.048 4.008 3.960 0.001 0.000 0.250 297 G C -1.571 173.300 174.900 -0.048 0.000 1.212 297 G CA -0.909 44.176 45.100 -0.026 0.000 0.874 297 G HN 0.434 nan 8.290 nan 0.000 0.561 298 P HA 0.114 nan 4.420 nan 0.000 0.249 298 P C 0.302 177.549 177.300 -0.088 0.000 1.241 298 P CA 0.624 63.691 63.100 -0.056 0.000 0.781 298 P CB 0.599 32.274 31.700 -0.042 0.000 1.088 299 E N -1.109 118.991 120.200 -0.166 0.000 2.869 299 E HA 0.117 4.467 4.350 0.001 0.000 0.207 299 E C 0.107 176.540 176.600 -0.278 0.000 0.986 299 E CA -0.059 56.224 56.400 -0.196 0.000 1.131 299 E CB -0.116 29.458 29.700 -0.211 0.000 1.098 299 E HN 0.514 nan 8.360 nan 0.000 0.459 300 H N -0.750 118.283 119.070 -0.062 0.000 2.755 300 H HA 0.317 4.874 4.556 0.001 0.000 0.273 300 H C 0.459 175.742 175.328 -0.075 0.000 1.055 300 H CA 0.027 56.032 56.048 -0.071 0.000 1.191 300 H CB 0.792 30.500 29.762 -0.091 0.000 1.536 300 H HN -0.020 nan 8.280 nan 0.000 0.529 301 M N 1.237 120.851 119.600 0.023 0.000 2.537 301 M HA 0.298 4.779 4.480 0.001 0.000 0.324 301 M C -0.634 175.646 176.300 -0.033 0.000 1.187 301 M CA -0.744 54.546 55.300 -0.017 0.000 0.993 301 M CB 2.599 35.183 32.600 -0.027 0.000 1.666 301 M HN -0.011 nan 8.290 nan 0.000 0.461 302 L N 1.431 122.627 121.223 -0.044 0.000 2.417 302 L HA 0.243 4.584 4.340 0.001 0.000 0.268 302 L C 0.794 177.617 176.870 -0.078 0.000 1.158 302 L CA -0.372 54.434 54.840 -0.058 0.000 0.819 302 L CB 1.025 43.050 42.059 -0.058 0.000 1.112 302 L HN 0.853 nan 8.230 nan 0.000 0.458 303 S N 1.245 116.884 115.700 -0.101 0.000 2.624 303 S HA 0.168 4.639 4.470 0.001 0.000 0.263 303 S C 1.101 175.603 174.600 -0.162 0.000 1.287 303 S CA -0.947 57.181 58.200 -0.121 0.000 0.990 303 S CB 1.448 64.568 63.200 -0.133 0.000 0.950 303 S HN 0.335 nan 8.310 nan 0.000 0.561 304 V N 1.085 120.901 119.914 -0.162 0.000 2.407 304 V HA -0.167 3.953 4.120 0.001 0.000 0.248 304 V C 2.770 178.664 176.094 -0.333 0.000 1.055 304 V CA 2.356 64.539 62.300 -0.195 0.000 1.049 304 V CB -1.257 30.485 31.823 -0.136 0.000 0.662 304 V HN 1.040 nan 8.190 nan 0.000 0.455 305 E N -0.126 119.841 120.200 -0.388 0.000 2.085 305 E HA -0.288 4.063 4.350 0.001 0.000 0.194 305 E C 2.258 178.339 176.600 -0.864 0.000 0.994 305 E CA 1.613 57.608 56.400 -0.675 0.000 0.801 305 E CB -0.092 29.251 29.700 -0.595 0.000 0.743 305 E HN 0.684 nan 8.360 nan 0.000 0.453 306 Q N -0.338 119.165 119.800 -0.494 0.000 2.172 306 Q HA -0.122 4.219 4.340 0.001 0.000 0.200 306 Q C 2.145 178.014 176.000 -0.219 0.000 0.964 306 Q CA 0.595 56.220 55.803 -0.297 0.000 0.855 306 Q CB 0.097 28.750 28.738 -0.142 0.000 0.918 306 Q HN 0.251 nan 8.270 nan 0.000 0.444 307 L N -0.394 120.678 121.223 -0.252 0.000 2.072 307 L HA -0.128 4.213 4.340 0.001 0.000 0.205 307 L C 2.096 178.776 176.870 -0.317 0.000 1.079 307 L CA 1.278 55.988 54.840 -0.216 0.000 0.752 307 L CB -0.475 41.466 42.059 -0.197 0.000 0.906 307 L HN 0.032 nan 8.230 nan 0.000 0.436 308 V N -1.631 117.989 119.914 -0.491 0.000 2.358 308 V HA -0.319 3.802 4.120 0.001 0.000 0.246 308 V C 2.235 178.047 176.094 -0.470 0.000 1.047 308 V CA 1.544 63.401 62.300 -0.738 0.000 1.035 308 V CB -0.669 30.423 31.823 -1.218 0.000 0.658 308 V HN 0.424 nan 8.190 nan 0.000 0.452 309 Y N 0.289 120.331 120.300 -0.430 0.000 2.224 309 Y HA -0.250 4.300 4.550 0.001 0.000 0.289 309 Y C 2.846 178.607 175.900 -0.232 0.000 1.146 309 Y CA 1.202 59.119 58.100 -0.305 0.000 1.182 309 Y CB -0.356 37.970 38.460 -0.222 0.000 0.983 309 Y HN 0.268 nan 8.280 nan 0.000 0.524 310 T N 0.929 115.465 114.554 -0.029 0.000 2.737 310 T HA -0.183 4.168 4.350 0.001 0.000 0.265 310 T C 1.942 176.607 174.700 -0.059 0.000 1.038 310 T CA 0.850 62.933 62.100 -0.028 0.000 1.144 310 T CB -0.474 68.417 68.868 0.037 0.000 0.866 310 T HN 0.284 nan 8.240 nan 0.000 0.434 311 L N 1.103 122.249 121.223 -0.129 0.000 2.012 311 L HA -0.119 4.222 4.340 0.001 0.000 0.210 311 L C 2.463 179.255 176.870 -0.130 0.000 1.073 311 L CA 1.534 56.283 54.840 -0.152 0.000 0.748 311 L CB -0.394 41.496 42.059 -0.282 0.000 0.891 311 L HN 0.156 nan 8.230 nan 0.000 0.431 312 V N -0.025 119.797 119.914 -0.153 0.000 2.358 312 V HA -0.295 3.826 4.120 0.001 0.000 0.246 312 V C 2.175 178.207 176.094 -0.103 0.000 1.047 312 V CA 2.046 64.276 62.300 -0.116 0.000 1.035 312 V CB -0.482 31.262 31.823 -0.131 0.000 0.658 312 V HN 0.548 nan 8.190 nan 0.000 0.452 313 D N 0.066 120.403 120.400 -0.105 0.000 2.084 313 D HA -0.164 4.476 4.640 0.001 0.000 0.194 313 D C 2.052 178.336 176.300 -0.027 0.000 0.990 313 D CA 1.689 55.638 54.000 -0.085 0.000 0.826 313 D CB -0.124 40.618 40.800 -0.096 0.000 0.971 313 D HN 0.161 nan 8.370 nan 0.000 0.453 314 V N -0.118 119.776 119.914 -0.033 0.000 2.287 314 V HA -0.215 3.905 4.120 0.001 0.000 0.248 314 V C 2.575 178.608 176.094 -0.101 0.000 1.053 314 V CA 1.439 63.721 62.300 -0.030 0.000 1.027 314 V CB -0.375 31.407 31.823 -0.069 0.000 0.646 314 V HN 0.196 nan 8.190 nan 0.000 0.447 315 V N 0.776 120.629 119.914 -0.101 0.000 2.548 315 V HA -0.153 3.968 4.120 0.001 0.000 0.249 315 V C 2.531 178.602 176.094 -0.037 0.000 1.055 315 V CA 1.940 64.177 62.300 -0.104 0.000 1.065 315 V CB -0.353 31.412 31.823 -0.096 0.000 0.681 315 V HN 0.776 nan 8.190 nan 0.000 0.462 316 S N -0.479 115.217 115.700 -0.007 0.000 2.522 316 S HA -0.051 4.419 4.470 0.001 0.000 0.227 316 S C 1.506 176.168 174.600 0.102 0.000 0.986 316 S CA 0.619 58.845 58.200 0.043 0.000 0.929 316 S CB -0.257 62.944 63.200 0.001 0.000 0.769 316 S HN 0.632 nan 8.310 nan 0.000 0.529 317 K N 0.473 120.956 120.400 0.138 0.000 2.399 317 K HA 0.373 4.694 4.320 0.001 0.000 0.204 317 K C 1.038 177.863 176.600 0.374 0.000 1.023 317 K CA 0.298 56.743 56.287 0.264 0.000 1.127 317 K CB 0.431 33.161 32.500 0.383 0.000 0.856 317 K HN 0.451 nan 8.250 nan 0.000 0.514 318 G N 0.760 109.652 108.800 0.153 0.000 2.175 318 G HA2 -0.232 3.729 3.960 0.001 0.000 0.244 318 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 318 G C 0.368 175.099 174.900 -0.282 0.000 0.982 318 G CA -0.205 44.934 45.100 0.065 0.000 0.641 318 G HN 0.484 nan 8.290 nan 0.000 0.527 319 G N -0.602 107.771 108.800 -0.711 0.000 2.502 319 G HA2 0.571 4.532 3.960 0.001 0.000 0.305 319 G HA3 0.571 4.532 3.960 0.001 0.000 0.305 319 G C -0.387 174.092 174.900 -0.701 0.000 1.190 319 G CA -0.419 43.805 45.100 -1.460 0.000 0.933 319 G HN 0.254 nan 8.290 nan 0.000 0.503 320 N N -1.314 117.040 118.700 -0.577 0.000 2.443 320 N HA 0.515 5.255 4.740 0.001 0.000 0.293 320 N C -1.025 174.418 175.510 -0.112 0.000 1.159 320 N CA -0.640 52.232 53.050 -0.298 0.000 0.904 320 N CB 2.060 40.325 38.487 -0.370 0.000 1.214 320 N HN 0.342 nan 8.380 nan 0.000 0.513 321 L N 1.196 122.446 121.223 0.044 0.000 2.296 321 L HA 0.499 4.840 4.340 0.001 0.000 0.286 321 L C -1.108 175.842 176.870 0.135 0.000 1.023 321 L CA -0.207 54.736 54.840 0.171 0.000 0.812 321 L CB 0.610 42.807 42.059 0.230 0.000 1.223 321 L HN 0.421 nan 8.230 nan 0.000 0.421 322 L N 6.365 127.634 121.223 0.077 0.000 2.321 322 L HA 0.364 4.705 4.340 0.001 0.000 0.272 322 L C -0.986 175.896 176.870 0.020 0.000 1.050 322 L CA -0.782 54.015 54.840 -0.072 0.000 0.893 322 L CB 1.226 43.199 42.059 -0.143 0.000 1.272 322 L HN 0.589 nan 8.230 nan 0.000 0.435 323 L N 4.480 125.720 121.223 0.028 0.000 2.281 323 L HA 0.286 4.627 4.340 0.001 0.000 0.285 323 L C 0.130 177.018 176.870 0.029 0.000 1.074 323 L CA 0.187 55.079 54.840 0.088 0.000 0.817 323 L CB 1.080 43.289 42.059 0.250 0.000 1.168 323 L HN 0.505 nan 8.230 nan 0.000 0.434 324 N N 3.271 122.001 118.700 0.050 0.000 2.530 324 N HA 0.495 5.236 4.740 0.001 0.000 0.277 324 N C -1.356 174.115 175.510 -0.065 0.000 1.168 324 N CA -0.373 52.699 53.050 0.036 0.000 0.979 324 N CB 1.128 39.623 38.487 0.013 0.000 1.141 324 N HN 0.381 nan 8.380 nan 0.000 0.459 325 V N 1.148 121.021 119.914 -0.068 0.000 2.588 325 V HA 0.635 4.756 4.120 0.001 0.000 0.304 325 V C 0.327 176.388 176.094 -0.055 0.000 1.042 325 V CA -0.812 61.432 62.300 -0.094 0.000 0.877 325 V CB 1.715 33.446 31.823 -0.153 0.000 0.996 325 V HN 0.848 nan 8.190 nan 0.000 0.425 326 G N 5.505 114.290 108.800 -0.025 0.000 3.205 326 G HA2 0.583 4.543 3.960 0.001 0.000 0.343 326 G HA3 0.583 4.543 3.960 0.001 0.000 0.343 326 G C -2.720 172.219 174.900 0.064 0.000 1.305 326 G CA -1.258 43.889 45.100 0.079 0.000 1.120 326 G HN 0.479 nan 8.290 nan 0.000 0.472 327 P HA 0.199 nan 4.420 nan 0.000 0.274 327 P C 0.060 177.337 177.300 -0.039 0.000 1.237 327 P CA -0.234 62.765 63.100 -0.167 0.000 0.793 327 P CB 1.668 33.120 31.700 -0.413 0.000 0.977 328 K N 0.276 120.562 120.400 -0.190 0.000 2.149 328 K HA 0.235 4.556 4.320 0.001 0.000 0.245 328 K C 1.911 178.688 176.600 0.296 0.000 1.024 328 K CA -0.041 56.145 56.287 -0.169 0.000 0.899 328 K CB -0.178 32.127 32.500 -0.324 0.000 1.038 328 K HN 0.512 nan 8.250 nan 0.000 0.496 329 G N 1.073 110.055 108.800 0.304 0.000 2.470 329 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 329 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 329 G C 0.860 176.059 174.900 0.497 0.000 1.121 329 G CA 0.945 46.337 45.100 0.485 0.000 0.766 329 G HN 0.810 nan 8.290 nan 0.000 0.553 330 D N -0.876 119.711 120.400 0.312 0.000 2.349 330 D HA 0.203 4.844 4.640 0.001 0.000 0.215 330 D C 1.642 178.117 176.300 0.291 0.000 1.016 330 D CA 0.674 54.814 54.000 0.233 0.000 0.870 330 D CB -0.456 40.432 40.800 0.147 0.000 0.917 330 D HN 0.476 nan 8.370 nan 0.000 0.524 331 G N -0.107 108.929 108.800 0.394 0.000 2.134 331 G HA2 -0.190 3.771 3.960 0.001 0.000 0.209 331 G HA3 -0.190 3.771 3.960 0.001 0.000 0.209 331 G C 0.259 175.399 174.900 0.401 0.000 0.993 331 G CA 0.230 45.560 45.100 0.382 0.000 0.669 331 G HN 0.751 nan 8.290 nan 0.000 0.519 332 T N -0.986 113.717 114.554 0.249 0.000 2.895 332 T HA 0.761 5.111 4.350 0.001 0.000 0.283 332 T C 0.192 174.922 174.700 0.049 0.000 1.014 332 T CA -0.895 61.319 62.100 0.189 0.000 1.037 332 T CB 2.509 71.430 68.868 0.087 0.000 1.006 332 T HN 0.411 nan 8.240 nan 0.000 0.468 333 I N 3.027 123.587 120.570 -0.016 0.000 2.315 333 I HA 0.310 4.481 4.170 0.001 0.000 0.291 333 I C -2.188 173.872 176.117 -0.095 0.000 1.006 333 I CA -2.674 58.537 61.300 -0.148 0.000 1.265 333 I CB 1.325 39.164 38.000 -0.269 0.000 1.387 333 I HN 0.405 nan 8.210 nan 0.000 0.475 334 P HA -0.053 nan 4.420 nan 0.000 0.263 334 P C -0.114 177.174 177.300 -0.020 0.000 1.175 334 P CA 0.306 63.379 63.100 -0.046 0.000 0.761 334 P CB 0.562 32.271 31.700 0.015 0.000 0.794 335 D N 1.735 122.132 120.400 -0.005 0.000 2.149 335 D HA -0.157 4.483 4.640 0.001 0.000 0.198 335 D C 1.744 178.044 176.300 -0.001 0.000 0.990 335 D CA 1.259 55.257 54.000 -0.003 0.000 0.839 335 D CB -0.329 40.473 40.800 0.005 0.000 0.948 335 D HN 0.351 nan 8.370 nan 0.000 0.460 336 L N 0.159 121.386 121.223 0.007 0.000 2.079 336 L HA -0.235 4.105 4.340 0.001 0.000 0.210 336 L C 2.399 179.266 176.870 -0.004 0.000 1.081 336 L CA 1.274 56.115 54.840 0.003 0.000 0.752 336 L CB -0.365 41.700 42.059 0.011 0.000 0.896 336 L HN 0.126 nan 8.230 nan 0.000 0.433 337 Q N -0.310 119.487 119.800 -0.005 0.000 2.049 337 Q HA -0.179 4.162 4.340 0.001 0.000 0.198 337 Q C 2.261 178.257 176.000 -0.007 0.000 0.971 337 Q CA 1.123 56.919 55.803 -0.012 0.000 0.833 337 Q CB -0.008 28.716 28.738 -0.023 0.000 0.896 337 Q HN 0.381 nan 8.270 nan 0.000 0.434 338 K N 0.831 121.222 120.400 -0.016 0.000 2.074 338 K HA -0.243 4.077 4.320 0.001 0.000 0.209 338 K C 2.066 178.670 176.600 0.007 0.000 1.048 338 K CA 1.407 57.687 56.287 -0.011 0.000 0.926 338 K CB -0.094 32.391 32.500 -0.024 0.000 0.713 338 K HN 0.248 nan 8.250 nan 0.000 0.444 339 E N 0.814 121.016 120.200 0.002 0.000 2.051 339 E HA -0.215 4.136 4.350 0.001 0.000 0.192 339 E C 2.041 178.644 176.600 0.006 0.000 0.991 339 E CA 1.287 57.690 56.400 0.004 0.000 0.799 339 E CB 0.124 29.823 29.700 -0.003 0.000 0.748 339 E HN 0.184 nan 8.360 nan 0.000 0.449 340 R N -0.020 120.480 120.500 -0.001 0.000 2.115 340 R HA -0.026 4.314 4.340 0.001 0.000 0.230 340 R C 2.507 178.816 176.300 0.015 0.000 1.111 340 R CA 0.752 56.847 56.100 -0.010 0.000 0.976 340 R CB -0.082 30.203 30.300 -0.024 0.000 0.870 340 R HN 0.237 nan 8.270 nan 0.000 0.445 341 L N 0.048 121.300 121.223 0.049 0.000 2.027 341 L HA -0.155 4.185 4.340 0.001 0.000 0.206 341 L C 2.139 179.074 176.870 0.109 0.000 1.074 341 L CA 1.195 56.099 54.840 0.108 0.000 0.745 341 L CB -0.334 41.809 42.059 0.139 0.000 0.898 341 L HN 0.211 nan 8.230 nan 0.000 0.433 342 L N -0.618 120.651 121.223 0.077 0.000 2.093 342 L HA -0.113 4.228 4.340 0.001 0.000 0.208 342 L C 2.617 179.533 176.870 0.076 0.000 1.085 342 L CA 1.259 56.145 54.840 0.075 0.000 0.755 342 L CB -1.012 41.077 42.059 0.049 0.000 0.904 342 L HN 0.312 nan 8.230 nan 0.000 0.435 343 G N -0.248 108.583 108.800 0.053 0.000 2.422 343 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 343 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 343 G C 1.653 176.595 174.900 0.071 0.000 1.140 343 G CA 0.322 45.452 45.100 0.050 0.000 0.775 343 G HN 0.236 nan 8.290 nan 0.000 0.545 344 L N 0.463 121.713 121.223 0.044 0.000 2.109 344 L HA 0.096 4.436 4.340 0.001 0.000 0.207 344 L C 2.896 179.851 176.870 0.141 0.000 1.086 344 L CA 1.203 56.059 54.840 0.027 0.000 0.760 344 L CB -0.292 41.716 42.059 -0.084 0.000 0.910 344 L HN 0.306 nan 8.230 nan 0.000 0.437 345 G N -1.473 107.418 108.800 0.152 0.000 2.448 345 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 345 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 345 G C 1.441 176.443 174.900 0.170 0.000 1.135 345 G CA 0.054 45.266 45.100 0.187 0.000 0.784 345 G HN 0.212 nan 8.290 nan 0.000 0.543 346 E N -0.076 120.219 120.200 0.157 0.000 2.106 346 E HA -0.105 4.245 4.350 0.001 0.000 0.192 346 E C 1.968 178.680 176.600 0.185 0.000 0.984 346 E CA 0.568 57.052 56.400 0.140 0.000 0.806 346 E CB -0.238 29.534 29.700 0.120 0.000 0.750 346 E HN 0.637 nan 8.360 nan 0.000 0.458 347 W N 0.902 122.241 121.300 0.065 0.000 2.381 347 W HA -0.074 4.587 4.660 0.001 0.000 0.301 347 W C 1.970 178.577 176.519 0.147 0.000 1.205 347 W CA 1.030 58.446 57.345 0.119 0.000 1.285 347 W CB -0.328 29.145 29.460 0.022 0.000 1.133 347 W HN -0.012 nan 8.180 nan 0.000 0.521 348 L N 0.488 121.843 121.223 0.219 0.000 2.217 348 L HA -0.104 4.236 4.340 0.001 0.000 0.211 348 L C 2.710 179.582 176.870 0.004 0.000 1.107 348 L CA 1.207 56.068 54.840 0.035 0.000 0.783 348 L CB -0.671 41.491 42.059 0.171 0.000 0.919 348 L HN -0.016 nan 8.230 nan 0.000 0.442 349 R N 0.292 120.818 120.500 0.043 0.000 2.092 349 R HA -0.139 4.201 4.340 0.001 0.000 0.231 349 R C 2.119 178.378 176.300 -0.068 0.000 1.119 349 R CA 1.177 57.294 56.100 0.030 0.000 0.970 349 R CB 0.131 30.456 30.300 0.041 0.000 0.864 349 R HN 0.283 nan 8.270 nan 0.000 0.440 350 K N -0.782 119.509 120.400 -0.182 0.000 2.067 350 K HA -0.084 4.237 4.320 0.001 0.000 0.203 350 K C 0.897 177.207 176.600 -0.483 0.000 1.048 350 K CA 1.122 57.181 56.287 -0.379 0.000 0.954 350 K CB 0.144 32.321 32.500 -0.538 0.000 0.737 350 K HN 0.265 nan 8.250 nan 0.000 0.444 351 Y N 0.089 120.107 120.300 -0.470 0.000 2.658 351 Y HA 0.203 4.753 4.550 0.001 0.000 0.276 351 Y C 1.776 177.295 175.900 -0.636 0.000 1.167 351 Y CA -0.429 57.272 58.100 -0.665 0.000 1.230 351 Y CB 0.395 38.074 38.460 -1.302 0.000 1.144 351 Y HN 0.102 nan 8.280 nan 0.000 0.529 352 G N -0.183 108.467 108.800 -0.251 0.000 2.448 352 G HA2 -0.260 3.700 3.960 0.001 0.000 0.219 352 G HA3 -0.260 3.700 3.960 0.001 0.000 0.219 352 G C 1.358 176.183 174.900 -0.125 0.000 1.127 352 G CA 0.999 45.985 45.100 -0.190 0.000 0.766 352 G HN 0.271 nan 8.290 nan 0.000 0.552 353 D N 0.649 121.008 120.400 -0.067 0.000 2.264 353 D HA 0.059 4.700 4.640 0.001 0.000 0.208 353 D C 2.428 178.421 176.300 -0.511 0.000 0.966 353 D CA 0.904 54.867 54.000 -0.062 0.000 0.864 353 D CB -0.088 40.826 40.800 0.190 0.000 0.933 353 D HN 0.276 nan 8.370 nan 0.000 0.499 354 A N -0.595 121.672 122.820 -0.922 0.000 2.307 354 A HA 0.172 4.493 4.320 0.001 0.000 0.218 354 A C 1.447 178.618 177.584 -0.687 0.000 1.228 354 A CA 0.040 51.181 52.037 -1.493 0.000 0.857 354 A CB 0.123 18.226 19.000 -1.495 0.000 0.897 354 A HN 0.147 nan 8.150 nan 0.000 0.495 355 I N -2.580 117.709 120.570 -0.467 0.000 3.664 355 I HA 0.136 4.307 4.170 0.001 0.000 0.251 355 I C 0.174 176.169 176.117 -0.204 0.000 1.134 355 I CA -0.013 61.087 61.300 -0.334 0.000 1.520 355 I CB -1.268 36.475 38.000 -0.428 0.000 1.638 355 I HN 0.249 nan 8.210 nan 0.000 0.431 356 Y N 2.462 122.732 120.300 -0.050 0.000 2.717 356 Y HA 0.267 4.818 4.550 0.001 0.000 0.330 356 Y C 1.621 177.521 175.900 0.001 0.000 1.217 356 Y CA 0.877 58.977 58.100 0.001 0.000 1.506 356 Y CB -0.068 38.408 38.460 0.027 0.000 1.268 356 Y HN 0.527 nan 8.280 nan 0.000 0.561 357 G N 1.837 110.746 108.800 0.182 0.000 2.179 357 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 357 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 357 G C 0.017 174.975 174.900 0.097 0.000 1.010 357 G CA 0.275 45.450 45.100 0.125 0.000 0.736 357 G HN 0.893 nan 8.290 nan 0.000 0.513 358 T N -1.966 112.629 114.554 0.069 0.000 2.943 358 T HA 0.793 5.144 4.350 0.001 0.000 0.284 358 T C 0.382 175.126 174.700 0.073 0.000 1.015 358 T CA 0.216 62.362 62.100 0.078 0.000 1.042 358 T CB 2.257 71.152 68.868 0.044 0.000 1.055 358 T HN 0.513 nan 8.240 nan 0.000 0.500 359 S N 0.463 116.225 115.700 0.104 0.000 2.747 359 S HA 0.689 5.160 4.470 0.001 0.000 0.300 359 S C 0.484 175.165 174.600 0.135 0.000 1.121 359 S CA -0.834 57.426 58.200 0.101 0.000 0.995 359 S CB 1.254 64.517 63.200 0.105 0.000 1.113 359 S HN 1.076 nan 8.310 nan 0.000 0.547 360 V N -0.452 119.542 119.914 0.133 0.000 2.924 360 V HA 0.414 4.534 4.120 0.001 0.000 0.305 360 V C -0.113 176.130 176.094 0.248 0.000 1.073 360 V CA -0.578 61.828 62.300 0.177 0.000 1.098 360 V CB 0.098 32.005 31.823 0.139 0.000 1.000 360 V HN 0.854 nan 8.190 nan 0.000 0.484 361 W N 2.027 123.373 121.300 0.077 0.000 1.998 361 W HA 0.432 5.093 4.660 0.001 0.000 0.441 361 W C 1.619 178.150 176.519 0.020 0.000 1.859 361 W CA -0.207 57.162 57.345 0.040 0.000 2.071 361 W CB 0.928 30.408 29.460 0.032 0.000 1.474 361 W HN 0.789 nan 8.180 nan 0.000 0.734 362 E N 0.279 120.123 120.200 -0.593 0.000 2.171 362 E HA -0.187 4.163 4.350 0.001 0.000 0.197 362 E C 0.458 176.941 176.600 -0.195 0.000 0.997 362 E CA 1.564 57.642 56.400 -0.538 0.000 0.810 362 E CB -0.040 29.085 29.700 -0.958 0.000 0.738 362 E HN 0.212 nan 8.360 nan 0.000 0.467 363 R N -1.080 119.441 120.500 0.034 0.000 2.771 363 R HA 0.317 4.658 4.340 0.001 0.000 0.274 363 R C 0.782 177.314 176.300 0.386 0.000 0.987 363 R CA -0.173 56.042 56.100 0.193 0.000 0.908 363 R CB 0.432 30.846 30.300 0.189 0.000 1.213 363 R HN 0.118 nan 8.270 nan 0.000 0.468 364 C N 0.889 120.339 119.300 0.250 0.000 2.508 364 C HA 0.216 4.677 4.460 0.001 0.000 0.280 364 C C 0.899 175.982 174.990 0.155 0.000 1.262 364 C CA 0.852 59.987 59.018 0.196 0.000 1.706 364 C CB -0.694 27.102 27.740 0.093 0.000 2.078 364 C HN 0.729 nan 8.230 nan 0.000 0.480 365 C N 0.642 120.007 119.300 0.108 0.000 2.973 365 C HA 0.948 5.409 4.460 0.001 0.000 0.329 365 C C -0.043 174.945 174.990 -0.003 0.000 1.327 365 C CA -0.120 58.851 59.018 -0.079 0.000 1.632 365 C CB 0.674 28.360 27.740 -0.090 0.000 2.098 365 C HN 1.019 nan 8.230 nan 0.000 0.469 366 A N 0.761 123.484 122.820 -0.161 0.000 2.583 366 A HA 0.828 5.148 4.320 0.001 0.000 0.292 366 A C -1.567 175.918 177.584 -0.164 0.000 1.045 366 A CA -0.739 51.258 52.037 -0.066 0.000 0.672 366 A CB 1.052 20.111 19.000 0.098 0.000 1.283 366 A HN 1.076 nan 8.150 nan 0.000 0.419 367 K N -0.487 119.861 120.400 -0.087 0.000 2.444 367 K HA 0.841 5.162 4.320 0.001 0.000 0.252 367 K C -0.153 176.425 176.600 -0.037 0.000 0.993 367 K CA -0.271 55.961 56.287 -0.093 0.000 0.847 367 K CB 1.749 34.212 32.500 -0.062 0.000 1.340 367 K HN 0.895 nan 8.250 nan 0.000 0.446 368 T N -2.689 111.860 114.554 -0.008 0.000 2.881 368 T HA 0.143 4.493 4.350 0.001 0.000 0.278 368 T C 0.973 175.696 174.700 0.039 0.000 0.982 368 T CA -0.567 61.564 62.100 0.052 0.000 0.989 368 T CB 1.400 70.340 68.868 0.120 0.000 1.058 368 T HN 0.830 nan 8.240 nan 0.000 0.529 369 E N -0.017 120.213 120.200 0.049 0.000 2.110 369 E HA -0.218 4.132 4.350 0.001 0.000 0.193 369 E C 1.533 178.151 176.600 0.030 0.000 0.988 369 E CA 1.525 57.947 56.400 0.036 0.000 0.804 369 E CB -0.155 29.570 29.700 0.040 0.000 0.745 369 E HN 0.868 nan 8.360 nan 0.000 0.458 370 D N -1.669 118.753 120.400 0.037 0.000 2.097 370 D HA -0.118 4.522 4.640 0.001 0.000 0.195 370 D C 1.345 177.656 176.300 0.018 0.000 0.989 370 D CA 2.362 56.380 54.000 0.029 0.000 0.827 370 D CB 0.016 40.839 40.800 0.037 0.000 0.966 370 D HN 0.314 nan 8.370 nan 0.000 0.456 371 G N -1.999 106.810 108.800 0.016 0.000 2.813 371 G HA2 -0.155 3.805 3.960 0.001 0.000 0.194 371 G HA3 -0.155 3.805 3.960 0.001 0.000 0.194 371 G C 0.253 175.142 174.900 -0.019 0.000 1.010 371 G CA 0.099 45.197 45.100 -0.003 0.000 0.771 371 G HN 0.311 nan 8.290 nan 0.000 0.485 372 T N 3.379 117.935 114.554 0.003 0.000 2.867 372 T HA 0.377 4.727 4.350 0.001 0.000 0.297 372 T C 0.242 174.894 174.700 -0.080 0.000 0.989 372 T CA 0.307 62.400 62.100 -0.012 0.000 1.159 372 T CB 1.139 70.057 68.868 0.083 0.000 0.928 372 T HN 0.249 nan 8.240 nan 0.000 0.538 373 E N 2.517 122.620 120.200 -0.162 0.000 2.390 373 E HA 0.361 4.711 4.350 0.001 0.000 0.261 373 E C 0.020 176.402 176.600 -0.363 0.000 1.076 373 E CA -0.048 56.208 56.400 -0.241 0.000 0.905 373 E CB 1.131 30.683 29.700 -0.247 0.000 0.984 373 E HN 0.518 nan 8.360 nan 0.000 0.427 374 I N 1.900 122.190 120.570 -0.466 0.000 2.686 374 I HA 0.375 4.546 4.170 0.001 0.000 0.295 374 I C -0.157 175.507 176.117 -0.756 0.000 1.114 374 I CA -0.922 59.948 61.300 -0.716 0.000 1.038 374 I CB 1.842 39.277 38.000 -0.941 0.000 1.238 374 I HN 0.077 nan 8.210 nan 0.000 0.420 375 R N 4.211 124.251 120.500 -0.767 0.000 2.750 375 R HA 0.635 4.975 4.340 0.001 0.000 0.281 375 R C -1.605 174.280 176.300 -0.693 0.000 0.972 375 R CA -0.827 54.883 56.100 -0.648 0.000 0.912 375 R CB 2.156 32.259 30.300 -0.328 0.000 1.187 375 R HN 0.423 nan 8.270 nan 0.000 0.464 376 F N 0.371 120.275 119.950 -0.076 0.000 2.482 376 F HA 0.430 4.958 4.527 0.001 0.000 0.331 376 F C 0.662 176.461 175.800 -0.001 0.000 1.115 376 F CA -0.767 57.178 58.000 -0.092 0.000 0.955 376 F CB 2.373 41.324 39.000 -0.082 0.000 1.136 376 F HN 0.382 nan 8.300 nan 0.000 0.452 377 T N 0.238 114.903 114.554 0.185 0.000 2.876 377 T HA 0.626 4.977 4.350 0.001 0.000 0.289 377 T C -0.800 174.035 174.700 0.225 0.000 1.014 377 T CA -1.020 61.188 62.100 0.180 0.000 0.986 377 T CB 2.330 71.248 68.868 0.084 0.000 1.021 377 T HN 0.728 nan 8.240 nan 0.000 0.458 378 R N 0.818 121.462 120.500 0.239 0.000 2.668 378 R HA 0.678 5.018 4.340 0.001 0.000 0.279 378 R C -0.850 175.598 176.300 0.246 0.000 0.976 378 R CA -0.892 55.353 56.100 0.241 0.000 0.978 378 R CB 1.177 31.669 30.300 0.320 0.000 1.133 378 R HN 0.771 nan 8.270 nan 0.000 0.484 379 K N 3.572 124.109 120.400 0.227 0.000 2.950 379 K HA 0.252 4.573 4.320 0.001 0.000 0.199 379 K C -0.910 175.776 176.600 0.144 0.000 1.144 379 K CA -0.515 55.901 56.287 0.216 0.000 0.983 379 K CB 0.060 32.770 32.500 0.350 0.000 1.187 379 K HN 0.915 nan 8.250 nan 0.000 0.595 380 C N -0.074 119.299 119.300 0.122 0.000 0.296 380 C HA -0.332 4.129 4.460 0.001 0.000 0.022 380 C C 1.737 176.778 174.990 0.085 0.000 0.198 380 C CA 1.298 60.371 59.018 0.092 0.000 0.507 380 C CB -1.614 26.172 27.740 0.076 0.000 3.212 380 C HN 1.010 nan 8.230 nan 0.000 1.117 381 N N 1.885 120.619 118.700 0.057 0.000 2.463 381 N HA 0.070 4.811 4.740 0.001 0.000 0.181 381 N C 0.376 175.885 175.510 -0.002 0.000 1.078 381 N CA 0.558 53.633 53.050 0.042 0.000 0.902 381 N CB -0.130 38.375 38.487 0.029 0.000 0.970 381 N HN 0.701 nan 8.380 nan 0.000 0.451 382 R N 0.288 120.762 120.500 -0.043 0.000 2.582 382 R HA 0.360 4.700 4.340 0.001 0.000 0.271 382 R C -0.759 175.408 176.300 -0.222 0.000 1.078 382 R CA -0.594 55.386 56.100 -0.200 0.000 1.127 382 R CB 0.924 31.031 30.300 -0.321 0.000 1.038 382 R HN 0.270 nan 8.270 nan 0.000 0.500 383 I N 1.466 121.797 120.570 -0.400 0.000 2.517 383 I HA 0.282 4.452 4.170 0.001 0.000 0.280 383 I C -1.460 174.376 176.117 -0.468 0.000 1.061 383 I CA -0.502 60.523 61.300 -0.459 0.000 1.091 383 I CB 0.646 38.200 38.000 -0.743 0.000 1.205 383 I HN 0.365 nan 8.210 nan 0.000 0.459 384 F N 6.012 125.858 119.950 -0.174 0.000 2.456 384 F HA 0.457 4.985 4.527 0.001 0.000 0.358 384 F C 0.459 176.203 175.800 -0.093 0.000 1.095 384 F CA -0.263 57.660 58.000 -0.129 0.000 1.216 384 F CB 1.233 40.149 39.000 -0.140 0.000 1.125 384 F HN 0.161 nan 8.300 nan 0.000 0.549 385 V N 5.885 125.860 119.914 0.100 0.000 2.284 385 V HA 0.299 4.420 4.120 0.001 0.000 0.274 385 V C -0.007 176.091 176.094 0.007 0.000 1.023 385 V CA -0.569 61.766 62.300 0.059 0.000 0.808 385 V CB 0.608 32.490 31.823 0.097 0.000 1.035 385 V HN 0.517 nan 8.190 nan 0.000 0.445 386 I N 5.081 125.567 120.570 -0.139 0.000 2.306 386 I HA 0.380 4.551 4.170 0.001 0.000 0.288 386 I C -0.451 175.552 176.117 -0.190 0.000 1.036 386 I CA -0.248 61.000 61.300 -0.087 0.000 1.221 386 I CB 0.730 38.675 38.000 -0.092 0.000 1.385 386 I HN 0.348 nan 8.210 nan 0.000 0.472 387 F N 6.204 126.055 119.950 -0.165 0.000 2.467 387 F HA 0.168 4.695 4.527 0.001 0.000 0.362 387 F C 0.340 176.011 175.800 -0.215 0.000 1.090 387 F CA -0.504 57.386 58.000 -0.182 0.000 1.202 387 F CB 0.592 39.520 39.000 -0.120 0.000 1.113 387 F HN 0.275 nan 8.300 nan 0.000 0.541 388 L N 4.249 125.335 121.223 -0.229 0.000 2.415 388 L HA 0.453 4.794 4.340 0.001 0.000 0.269 388 L C 0.553 177.172 176.870 -0.419 0.000 1.244 388 L CA -0.067 54.420 54.840 -0.588 0.000 1.113 388 L CB -1.015 40.501 42.059 -0.904 0.000 1.352 388 L HN 0.782 nan 8.230 nan 0.000 0.433 389 G N 2.699 111.494 108.800 -0.009 0.000 2.440 389 G HA2 -0.035 3.926 3.960 0.001 0.000 0.684 389 G HA3 -0.035 3.926 3.960 0.001 0.000 0.684 389 G C -1.016 173.933 174.900 0.082 0.000 1.309 389 G CA -1.070 44.102 45.100 0.120 0.000 0.931 389 G HN 0.179 nan 8.290 nan 0.000 0.612 390 I N 2.057 122.659 120.570 0.053 0.000 2.359 390 I HA 0.317 4.487 4.170 0.001 0.000 0.284 390 I C -1.936 174.166 176.117 -0.026 0.000 1.018 390 I CA -1.818 59.480 61.300 -0.003 0.000 1.173 390 I CB 1.800 39.811 38.000 0.018 0.000 1.326 390 I HN 0.217 nan 8.210 nan 0.000 0.462 391 P HA 0.001 nan 4.420 nan 0.000 0.264 391 P C 1.024 178.297 177.300 -0.045 0.000 1.183 391 P CA 0.050 63.113 63.100 -0.062 0.000 0.763 391 P CB 0.521 32.142 31.700 -0.131 0.000 0.807 392 T N -0.604 113.939 114.554 -0.018 0.000 3.088 392 T HA 0.162 4.513 4.350 0.001 0.000 0.259 392 T C 0.904 175.599 174.700 -0.009 0.000 1.122 392 T CA 0.244 62.339 62.100 -0.008 0.000 1.095 392 T CB -0.292 68.576 68.868 0.001 0.000 0.930 392 T HN 0.449 nan 8.240 nan 0.000 0.508 393 G N 0.190 108.982 108.800 -0.014 0.000 2.420 393 G HA2 0.520 4.481 3.960 0.001 0.000 0.331 393 G HA3 0.520 4.481 3.960 0.001 0.000 0.331 393 G C -0.013 174.878 174.900 -0.016 0.000 1.168 393 G CA -0.712 44.383 45.100 -0.008 0.000 0.936 393 G HN 0.181 nan 8.290 nan 0.000 0.479 394 E N 0.125 120.322 120.200 -0.005 0.000 2.047 394 E HA -0.046 4.305 4.350 0.001 0.000 0.191 394 E C 0.942 177.544 176.600 0.004 0.000 0.987 394 E CA 0.725 57.124 56.400 -0.002 0.000 0.799 394 E CB 0.099 29.805 29.700 0.009 0.000 0.752 394 E HN 0.355 nan 8.360 nan 0.000 0.449 395 K N 1.398 121.806 120.400 0.014 0.000 2.336 395 K HA 0.161 4.482 4.320 0.001 0.000 0.290 395 K C -1.089 175.529 176.600 0.030 0.000 1.067 395 K CA 0.291 56.594 56.287 0.027 0.000 0.962 395 K CB -0.104 32.413 32.500 0.028 0.000 1.008 395 K HN -0.023 nan 8.250 nan 0.000 0.467 396 I N 4.896 125.490 120.570 0.041 0.000 2.354 396 I HA 0.230 4.400 4.170 0.001 0.000 0.292 396 I C -0.777 175.403 176.117 0.104 0.000 0.989 396 I CA -1.148 60.190 61.300 0.064 0.000 1.188 396 I CB 1.831 39.854 38.000 0.037 0.000 1.342 396 I HN 0.179 nan 8.210 nan 0.000 0.457 397 V N 7.712 127.689 119.914 0.105 0.000 2.334 397 V HA 0.401 4.521 4.120 0.001 0.000 0.281 397 V C 0.104 176.267 176.094 0.115 0.000 1.016 397 V CA -0.471 61.890 62.300 0.102 0.000 0.832 397 V CB 1.216 33.083 31.823 0.073 0.000 0.999 397 V HN 0.475 nan 8.190 nan 0.000 0.439 398 I N 3.797 124.444 120.570 0.128 0.000 2.325 398 I HA 0.309 4.479 4.170 0.001 0.000 0.291 398 I C 0.757 176.928 176.117 0.090 0.000 1.019 398 I CA -0.130 61.236 61.300 0.111 0.000 1.302 398 I CB 0.995 39.072 38.000 0.128 0.000 1.401 398 I HN 0.618 nan 8.210 nan 0.000 0.485 399 E N 5.204 125.445 120.200 0.069 0.000 2.404 399 E HA -0.035 4.316 4.350 0.001 0.000 0.261 399 E C -0.283 176.361 176.600 0.074 0.000 1.074 399 E CA -0.181 56.255 56.400 0.060 0.000 0.917 399 E CB 0.461 30.186 29.700 0.041 0.000 0.965 399 E HN 0.506 nan 8.360 nan 0.000 0.433 400 D N 1.384 121.822 120.400 0.064 0.000 2.720 400 D HA -0.229 4.411 4.640 0.001 0.000 0.229 400 D C -0.866 175.486 176.300 0.085 0.000 1.198 400 D CA 0.981 55.020 54.000 0.065 0.000 0.639 400 D CB -0.664 40.170 40.800 0.056 0.000 1.003 400 D HN 0.280 nan 8.370 nan 0.000 0.411 401 L N 0.647 121.924 121.223 0.090 0.000 2.464 401 L HA 0.333 4.674 4.340 0.001 0.000 0.266 401 L C -0.967 175.959 176.870 0.093 0.000 0.965 401 L CA -0.612 54.288 54.840 0.099 0.000 0.833 401 L CB 1.872 44.001 42.059 0.117 0.000 1.296 401 L HN -0.193 nan 8.230 nan 0.000 0.405 402 N N 5.310 124.064 118.700 0.090 0.000 2.617 402 N HA 0.377 5.118 4.740 0.001 0.000 0.263 402 N C -0.721 174.859 175.510 0.116 0.000 1.074 402 N CA -0.309 52.799 53.050 0.097 0.000 0.841 402 N CB 2.355 40.883 38.487 0.068 0.000 1.221 402 N HN 0.534 nan 8.380 nan 0.000 0.529 403 L N 0.897 122.211 121.223 0.151 0.000 2.452 403 L HA 0.165 4.506 4.340 0.001 0.000 0.267 403 L C 0.535 177.505 176.870 0.166 0.000 1.188 403 L CA 0.008 54.941 54.840 0.156 0.000 0.821 403 L CB 0.569 42.699 42.059 0.119 0.000 1.102 403 L HN 0.383 nan 8.230 nan 0.000 0.470 404 S N 3.635 119.422 115.700 0.145 0.000 2.686 404 S HA 0.157 4.628 4.470 0.001 0.000 0.324 404 S C 0.590 175.277 174.600 0.144 0.000 1.172 404 S CA -0.424 57.848 58.200 0.119 0.000 1.127 404 S CB 0.138 63.399 63.200 0.101 0.000 1.338 404 S HN 0.722 nan 8.310 nan 0.000 0.547 405 A N 3.504 126.416 122.820 0.153 0.000 2.291 405 A HA 0.216 4.536 4.320 0.001 0.000 0.313 405 A C 1.176 178.867 177.584 0.178 0.000 1.108 405 A CA 0.684 52.824 52.037 0.172 0.000 1.273 405 A CB -0.894 18.147 19.000 0.067 0.000 0.773 405 A HN 0.897 nan 8.150 nan 0.000 0.415 406 G N 0.541 109.509 108.800 0.281 0.000 3.364 406 G HA2 0.647 4.607 3.960 0.001 0.000 0.191 406 G HA3 0.647 4.607 3.960 0.001 0.000 0.191 406 G C 0.048 175.096 174.900 0.248 0.000 1.352 406 G CA 0.479 45.690 45.100 0.185 0.000 0.758 406 G HN 1.423 nan 8.290 nan 0.000 0.730 407 T N -1.290 113.345 114.554 0.134 0.000 3.089 407 T HA 0.531 4.882 4.350 0.001 0.000 0.340 407 T C -0.979 173.693 174.700 -0.046 0.000 1.008 407 T CA -0.443 61.730 62.100 0.122 0.000 1.096 407 T CB 1.033 69.948 68.868 0.078 0.000 1.024 407 T HN 0.381 nan 8.240 nan 0.000 0.477 408 V N 5.234 125.019 119.914 -0.215 0.000 2.432 408 V HA 0.524 4.645 4.120 0.001 0.000 0.271 408 V C 0.480 176.511 176.094 -0.105 0.000 1.046 408 V CA -0.536 61.562 62.300 -0.337 0.000 0.945 408 V CB 0.148 31.516 31.823 -0.757 0.000 0.992 408 V HN 0.856 nan 8.190 nan 0.000 0.471 409 R N 3.263 123.733 120.500 -0.049 0.000 2.750 409 R HA 0.492 4.833 4.340 0.001 0.000 0.281 409 R C -0.383 175.981 176.300 0.105 0.000 0.972 409 R CA -0.962 55.164 56.100 0.043 0.000 0.912 409 R CB 1.474 31.802 30.300 0.046 0.000 1.187 409 R HN 0.725 nan 8.270 nan 0.000 0.464 410 H N 2.525 121.624 119.070 0.047 0.000 3.094 410 H HA -0.095 4.461 4.556 0.001 0.000 0.320 410 H C -0.123 175.281 175.328 0.128 0.000 1.000 410 H CA 0.620 56.722 56.048 0.089 0.000 1.413 410 H CB 0.502 30.294 29.762 0.051 0.000 1.405 410 H HN 0.722 nan 8.280 nan 0.000 0.586 411 F N 5.297 125.266 119.950 0.033 0.000 2.118 411 F HA -0.136 4.392 4.527 0.001 0.000 0.293 411 F C 1.951 177.855 175.800 0.174 0.000 1.102 411 F CA 0.763 58.836 58.000 0.122 0.000 1.247 411 F CB -0.172 38.910 39.000 0.138 0.000 1.017 411 F HN 0.498 nan 8.300 nan 0.000 0.475 412 L N 0.591 121.884 121.223 0.117 0.000 2.141 412 L HA -0.070 4.270 4.340 0.001 0.000 0.209 412 L C 2.330 179.145 176.870 -0.092 0.000 1.094 412 L CA 2.422 57.190 54.840 -0.120 0.000 0.763 412 L CB -0.916 41.226 42.059 0.139 0.000 0.908 412 L HN 0.499 nan 8.230 nan 0.000 0.437 413 T N -5.645 108.941 114.554 0.052 0.000 3.015 413 T HA 0.364 4.715 4.350 0.001 0.000 0.250 413 T C 1.541 176.179 174.700 -0.103 0.000 1.057 413 T CA 0.431 62.451 62.100 -0.134 0.000 1.066 413 T CB 0.331 68.996 68.868 -0.339 0.000 0.959 413 T HN 0.450 nan 8.240 nan 0.000 0.488 414 G N 1.269 110.059 108.800 -0.018 0.000 2.217 414 G HA2 -0.267 3.694 3.960 0.001 0.000 0.246 414 G HA3 -0.267 3.694 3.960 0.001 0.000 0.246 414 G C -0.079 174.827 174.900 0.010 0.000 0.990 414 G CA 0.183 45.273 45.100 -0.017 0.000 0.627 414 G HN 0.813 nan 8.290 nan 0.000 0.522 415 E N 0.873 121.061 120.200 -0.019 0.000 2.415 415 E HA 0.431 4.781 4.350 0.001 0.000 0.263 415 E C 0.980 177.605 176.600 0.043 0.000 0.995 415 E CA -0.484 55.906 56.400 -0.018 0.000 0.915 415 E CB 0.307 29.957 29.700 -0.083 0.000 0.951 415 E HN 0.459 nan 8.360 nan 0.000 0.449 416 R N 3.326 123.848 120.500 0.037 0.000 2.694 416 R HA 0.290 4.631 4.340 0.001 0.000 0.268 416 R C -0.740 175.606 176.300 0.076 0.000 1.061 416 R CA 0.060 56.195 56.100 0.059 0.000 1.133 416 R CB 0.390 30.721 30.300 0.053 0.000 1.020 416 R HN 0.508 nan 8.270 nan 0.000 0.475 417 L N 1.776 123.061 121.223 0.103 0.000 2.409 417 L HA 0.358 4.698 4.340 0.001 0.000 0.262 417 L C -0.436 176.556 176.870 0.203 0.000 0.992 417 L CA -0.984 53.931 54.840 0.124 0.000 0.817 417 L CB 2.268 44.392 42.059 0.109 0.000 1.350 417 L HN 0.770 nan 8.230 nan 0.000 0.411 418 S N 1.565 117.374 115.700 0.181 0.000 2.562 418 S HA 0.796 5.266 4.470 0.001 0.000 0.275 418 S C -0.721 174.064 174.600 0.307 0.000 1.281 418 S CA -0.399 57.922 58.200 0.201 0.000 1.045 418 S CB 0.955 64.210 63.200 0.092 0.000 0.962 418 S HN 0.477 nan 8.310 nan 0.000 0.503 419 F N -0.954 119.012 119.950 0.028 0.000 2.665 419 F HA 0.799 5.327 4.527 0.001 0.000 0.308 419 F C -1.111 174.705 175.800 0.028 0.000 1.112 419 F CA -1.101 56.918 58.000 0.032 0.000 0.972 419 F CB 1.197 40.220 39.000 0.038 0.000 1.295 419 F HN 0.772 nan 8.300 nan 0.000 0.440 420 K N 1.746 122.117 120.400 -0.048 0.000 2.482 420 K HA 0.494 4.814 4.320 0.001 0.000 0.257 420 K C -1.255 175.356 176.600 0.018 0.000 0.969 420 K CA -1.028 55.177 56.287 -0.136 0.000 0.842 420 K CB 1.905 34.352 32.500 -0.088 0.000 1.359 420 K HN 0.832 nan 8.250 nan 0.000 0.441 421 N N 0.835 119.533 118.700 -0.004 0.000 2.524 421 N HA 0.279 5.019 4.740 0.001 0.000 0.283 421 N C -1.249 174.279 175.510 0.031 0.000 1.142 421 N CA -0.276 52.802 53.050 0.047 0.000 0.984 421 N CB 1.777 40.289 38.487 0.041 0.000 1.155 421 N HN 0.104 nan 8.380 nan 0.000 0.467 422 V N 1.400 121.340 119.914 0.044 0.000 2.555 422 V HA 0.328 4.449 4.120 0.001 0.000 0.283 422 V C 0.912 177.026 176.094 0.034 0.000 1.020 422 V CA 0.058 62.378 62.300 0.034 0.000 0.883 422 V CB 0.716 32.562 31.823 0.037 0.000 1.030 422 V HN 1.035 nan 8.190 nan 0.000 0.448 423 G N 5.722 114.537 108.800 0.025 0.000 2.774 423 G HA2 -0.357 3.604 3.960 0.001 0.000 0.342 423 G HA3 -0.357 3.604 3.960 0.001 0.000 0.342 423 G C 0.967 175.885 174.900 0.029 0.000 1.185 423 G CA 1.328 46.443 45.100 0.024 0.000 0.956 423 G HN 0.605 nan 8.290 nan 0.000 0.561 424 K N 0.973 121.392 120.400 0.032 0.000 2.365 424 K HA 0.142 4.462 4.320 0.001 0.000 0.195 424 K C 0.630 177.260 176.600 0.050 0.000 1.079 424 K CA 0.110 56.419 56.287 0.037 0.000 0.979 424 K CB 0.157 32.676 32.500 0.031 0.000 0.929 424 K HN 0.409 nan 8.250 nan 0.000 0.523 425 N N 1.346 120.077 118.700 0.053 0.000 2.379 425 N HA 0.230 4.970 4.740 0.001 0.000 0.260 425 N C -0.718 174.841 175.510 0.082 0.000 1.254 425 N CA -0.378 52.712 53.050 0.066 0.000 0.958 425 N CB 0.844 39.367 38.487 0.060 0.000 1.208 425 N HN -0.012 nan 8.380 nan 0.000 0.532 426 L N -0.285 120.999 121.223 0.101 0.000 2.406 426 L HA 0.363 4.704 4.340 0.001 0.000 0.270 426 L C -0.668 176.286 176.870 0.140 0.000 0.982 426 L CA -0.525 54.394 54.840 0.132 0.000 0.843 426 L CB 0.902 43.052 42.059 0.152 0.000 1.225 426 L HN 0.416 nan 8.230 nan 0.000 0.412 427 E N 5.594 125.875 120.200 0.134 0.000 2.319 427 E HA 0.533 4.883 4.350 0.001 0.000 0.268 427 E C -0.938 175.766 176.600 0.173 0.000 1.050 427 E CA -0.627 55.849 56.400 0.126 0.000 0.878 427 E CB 2.848 32.600 29.700 0.087 0.000 1.066 427 E HN 0.624 nan 8.360 nan 0.000 0.406 428 I N 0.568 121.228 120.570 0.150 0.000 2.735 428 I HA 0.079 4.249 4.170 0.001 0.000 0.287 428 I C -1.265 174.916 176.117 0.108 0.000 1.452 428 I CA -0.288 61.114 61.300 0.170 0.000 1.061 428 I CB 1.905 40.010 38.000 0.174 0.000 1.383 428 I HN 0.560 nan 8.210 nan 0.000 0.425 429 T N 4.846 119.461 114.554 0.102 0.000 2.799 429 T HA 0.655 5.005 4.350 0.001 0.000 0.286 429 T C -0.290 174.446 174.700 0.061 0.000 0.973 429 T CA -0.614 61.526 62.100 0.066 0.000 1.035 429 T CB 1.436 70.338 68.868 0.058 0.000 0.932 429 T HN 0.749 nan 8.240 nan 0.000 0.469 430 V N 0.198 120.134 119.914 0.036 0.000 2.447 430 V HA 0.586 4.707 4.120 0.001 0.000 0.292 430 V C -3.079 173.037 176.094 0.036 0.000 1.021 430 V CA -2.900 59.426 62.300 0.043 0.000 0.850 430 V CB 0.962 32.794 31.823 0.014 0.000 1.005 430 V HN 0.623 nan 8.190 nan 0.000 0.426 431 P HA 0.099 nan 4.420 nan 0.000 0.266 431 P C 0.622 177.938 177.300 0.027 0.000 1.193 431 P CA 0.140 63.255 63.100 0.026 0.000 0.770 431 P CB 0.742 32.453 31.700 0.017 0.000 0.836 432 K N 2.280 122.690 120.400 0.017 0.000 2.211 432 K HA -0.139 4.181 4.320 0.001 0.000 0.203 432 K C 1.388 178.001 176.600 0.021 0.000 1.050 432 K CA 1.279 57.576 56.287 0.017 0.000 0.945 432 K CB -0.032 32.475 32.500 0.011 0.000 0.732 432 K HN 0.270 nan 8.250 nan 0.000 0.451 433 K N 0.278 120.685 120.400 0.012 0.000 2.209 433 K HA -0.102 4.218 4.320 0.001 0.000 0.204 433 K C 1.765 178.369 176.600 0.005 0.000 1.048 433 K CA 1.021 57.310 56.287 0.003 0.000 0.940 433 K CB 0.040 32.533 32.500 -0.013 0.000 0.729 433 K HN 0.201 nan 8.250 nan 0.000 0.451 434 L N 0.200 121.436 121.223 0.022 0.000 2.249 434 L HA -0.014 4.327 4.340 0.001 0.000 0.207 434 L C 2.059 179.054 176.870 0.209 0.000 1.090 434 L CA 0.361 55.241 54.840 0.067 0.000 0.802 434 L CB -0.312 41.789 42.059 0.069 0.000 0.947 434 L HN 0.093 nan 8.230 nan 0.000 0.453 435 L N 0.026 121.321 121.223 0.121 0.000 2.083 435 L HA -0.179 4.162 4.340 0.001 0.000 0.209 435 L C 2.339 179.261 176.870 0.087 0.000 1.083 435 L CA 1.339 56.229 54.840 0.084 0.000 0.752 435 L CB -0.459 41.616 42.059 0.026 0.000 0.899 435 L HN 0.299 nan 8.230 nan 0.000 0.433 436 E N -0.454 119.789 120.200 0.071 0.000 2.268 436 E HA -0.165 4.186 4.350 0.001 0.000 0.195 436 E C 2.126 178.774 176.600 0.080 0.000 0.995 436 E CA 1.530 57.966 56.400 0.061 0.000 0.836 436 E CB -0.029 29.695 29.700 0.039 0.000 0.763 436 E HN 0.619 nan 8.360 nan 0.000 0.491 437 T N -0.860 113.756 114.554 0.104 0.000 2.851 437 T HA -0.083 4.268 4.350 0.001 0.000 0.262 437 T C 0.867 175.669 174.700 0.169 0.000 1.043 437 T CA 0.358 62.527 62.100 0.115 0.000 1.140 437 T CB -0.099 68.834 68.868 0.108 0.000 0.872 437 T HN -0.137 nan 8.240 nan 0.000 0.446 438 D N 2.427 122.958 120.400 0.219 0.000 2.455 438 D HA 0.216 4.857 4.640 0.001 0.000 0.241 438 D C -0.450 175.994 176.300 0.240 0.000 1.138 438 D CA 0.394 54.567 54.000 0.288 0.000 0.877 438 D CB 1.212 42.150 40.800 0.229 0.000 1.187 438 D HN 0.352 nan 8.370 nan 0.000 0.451 439 S N 2.554 118.451 115.700 0.329 0.000 2.433 439 S HA 0.397 4.867 4.470 0.001 0.000 0.310 439 S C 1.226 175.988 174.600 0.270 0.000 1.097 439 S CA -0.537 57.825 58.200 0.269 0.000 1.103 439 S CB 0.033 63.413 63.200 0.299 0.000 0.992 439 S HN 0.575 nan 8.310 nan 0.000 0.469 440 I N 1.659 122.316 120.570 0.144 0.000 4.407 440 I HA -0.296 3.875 4.170 0.001 0.000 0.066 440 I C 0.561 176.737 176.117 0.099 0.000 0.591 440 I CA 1.643 62.980 61.300 0.061 0.000 1.050 440 I CB -1.869 36.086 38.000 -0.076 0.000 0.939 440 I HN 0.710 nan 8.210 nan 0.000 0.169 441 T N 0.472 115.091 114.554 0.108 0.000 2.841 441 T HA 0.671 5.022 4.350 0.001 0.000 0.285 441 T C -0.718 173.970 174.700 -0.020 0.000 0.991 441 T CA -0.760 61.376 62.100 0.060 0.000 0.966 441 T CB 2.399 71.308 68.868 0.069 0.000 0.962 441 T HN 0.338 nan 8.240 nan 0.000 0.438 442 L N 4.619 125.848 121.223 0.009 0.000 2.410 442 L HA 0.659 5.000 4.340 0.001 0.000 0.273 442 L C -0.195 176.700 176.870 0.040 0.000 1.152 442 L CA -0.107 54.706 54.840 -0.044 0.000 0.855 442 L CB 0.616 42.526 42.059 -0.248 0.000 1.129 442 L HN 0.792 nan 8.230 nan 0.000 0.463 443 V N 5.084 125.026 119.914 0.046 0.000 2.638 443 V HA 0.623 4.744 4.120 0.001 0.000 0.306 443 V C -0.565 175.590 176.094 0.102 0.000 1.052 443 V CA -0.705 61.657 62.300 0.103 0.000 0.885 443 V CB 1.544 33.362 31.823 -0.008 0.000 0.999 443 V HN 0.868 nan 8.190 nan 0.000 0.424 444 L N 3.223 124.532 121.223 0.142 0.000 2.491 444 L HA 0.804 5.144 4.340 0.001 0.000 0.264 444 L C -0.141 176.778 176.870 0.082 0.000 1.053 444 L CA -0.667 54.232 54.840 0.098 0.000 0.858 444 L CB 1.718 43.831 42.059 0.089 0.000 1.519 444 L HN 0.995 nan 8.230 nan 0.000 0.508 445 E N 0.265 120.450 120.200 -0.025 0.000 2.539 445 E HA 0.506 4.856 4.350 0.001 0.000 0.332 445 E C -1.810 174.656 176.600 -0.224 0.000 0.910 445 E CA -0.532 55.754 56.400 -0.191 0.000 0.785 445 E CB 1.356 30.958 29.700 -0.164 0.000 1.406 445 E HN 0.632 nan 8.360 nan 0.000 0.391 446 A N 2.719 125.366 122.820 -0.289 0.000 2.257 446 A HA 0.816 5.137 4.320 0.001 0.000 0.289 446 A C -0.373 177.088 177.584 -0.206 0.000 1.095 446 A CA -0.410 51.470 52.037 -0.260 0.000 0.836 446 A CB 1.238 20.063 19.000 -0.292 0.000 1.111 446 A HN 0.413 nan 8.150 nan 0.000 0.497 447 V N 0.000 119.841 119.914 -0.122 0.000 2.409 447 V HA 0.000 4.121 4.120 0.001 0.000 0.244 447 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 447 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556