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 3f4i_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.071 176.300 -0.382 0.000 0.893 5 R CA 0.000 55.967 56.100 -0.221 0.000 0.921 5 R CB 0.000 30.150 30.300 -0.249 0.000 0.687 6 E N 1.744 121.754 120.200 -0.317 0.000 2.404 6 E HA 0.098 4.453 4.350 0.009 0.000 0.261 6 E C -0.792 175.462 176.600 -0.576 0.000 1.074 6 E CA 0.348 56.512 56.400 -0.394 0.000 0.917 6 E CB 0.613 30.023 29.700 -0.483 0.000 0.965 6 E HN 0.411 nan 8.360 nan 0.000 0.433 7 H N -0.256 118.709 119.070 -0.176 0.000 2.895 7 H HA 0.209 4.771 4.556 0.009 0.000 0.373 7 H C -1.064 174.140 175.328 -0.207 0.000 1.174 7 H CA -0.836 55.131 56.048 -0.136 0.000 1.144 7 H CB 0.746 30.506 29.762 -0.003 0.000 1.793 7 H HN 0.436 nan 8.280 nan 0.000 0.551 8 W N 1.282 122.651 121.300 0.115 0.000 2.257 8 W HA 0.226 4.892 4.660 0.010 0.000 0.337 8 W C 1.096 177.641 176.519 0.044 0.000 1.321 8 W CA 0.142 57.503 57.345 0.026 0.000 1.267 8 W CB 0.440 29.917 29.460 0.029 0.000 1.187 8 W HN 0.787 nan 8.180 nan 0.000 0.565 9 A N 2.219 125.184 122.820 0.242 0.000 1.874 9 A HA 0.026 4.352 4.320 0.009 0.000 0.214 9 A C 1.045 178.707 177.584 0.129 0.000 1.189 9 A CA 1.659 53.779 52.037 0.139 0.000 0.615 9 A CB -0.699 18.354 19.000 0.088 0.000 0.830 9 A HN 0.560 nan 8.150 nan 0.000 0.443 10 T N -4.801 109.835 114.554 0.137 0.000 2.916 10 T HA 0.516 4.871 4.350 0.009 0.000 0.292 10 T C 0.516 175.264 174.700 0.081 0.000 1.055 10 T CA -0.345 61.809 62.100 0.089 0.000 1.009 10 T CB 1.969 70.872 68.868 0.058 0.000 1.118 10 T HN 0.256 nan 8.240 nan 0.000 0.497 11 R N -0.242 120.290 120.500 0.054 0.000 2.092 11 R HA -0.017 4.329 4.340 0.009 0.000 0.231 11 R C 2.094 178.396 176.300 0.004 0.000 1.119 11 R CA 1.171 57.292 56.100 0.036 0.000 0.970 11 R CB -0.496 29.823 30.300 0.031 0.000 0.864 11 R HN 0.620 nan 8.270 nan 0.000 0.440 12 L N 0.442 121.667 121.223 0.003 0.000 2.046 12 L HA 0.011 4.356 4.340 0.009 0.000 0.208 12 L C 2.126 178.976 176.870 -0.033 0.000 1.077 12 L CA 2.358 57.190 54.840 -0.014 0.000 0.747 12 L CB -1.015 41.040 42.059 -0.008 0.000 0.896 12 L HN 0.258 nan 8.230 nan 0.000 0.432 13 G N -0.249 108.543 108.800 -0.014 0.000 2.446 13 G HA2 -0.304 3.662 3.960 0.009 0.000 0.217 13 G HA3 -0.304 3.662 3.960 0.009 0.000 0.217 13 G C 1.586 176.389 174.900 -0.163 0.000 1.168 13 G CA 1.006 46.094 45.100 -0.020 0.000 0.771 13 G HN 0.459 nan 8.290 nan 0.000 0.551 14 L N 0.762 121.847 121.223 -0.231 0.000 2.012 14 L HA -0.075 4.271 4.340 0.009 0.000 0.210 14 L C 2.519 179.157 176.870 -0.388 0.000 1.073 14 L CA 1.569 56.042 54.840 -0.613 0.000 0.748 14 L CB -0.390 41.442 42.059 -0.378 0.000 0.891 14 L HN 0.126 nan 8.230 nan 0.000 0.431 15 I N -0.458 120.030 120.570 -0.138 0.000 2.226 15 I HA -0.270 3.906 4.170 0.009 0.000 0.245 15 I C 2.588 178.672 176.117 -0.055 0.000 1.100 15 I CA 1.440 62.718 61.300 -0.036 0.000 1.374 15 I CB -1.178 36.811 38.000 -0.018 0.000 1.057 15 I HN 0.344 nan 8.210 nan 0.000 0.413 16 L N 0.402 121.578 121.223 -0.079 0.000 2.156 16 L HA -0.112 4.234 4.340 0.009 0.000 0.208 16 L C 2.763 179.600 176.870 -0.055 0.000 1.095 16 L CA 0.997 55.803 54.840 -0.057 0.000 0.770 16 L CB -0.640 41.388 42.059 -0.052 0.000 0.914 16 L HN 0.165 nan 8.230 nan 0.000 0.439 17 A N -0.176 122.566 122.820 -0.130 0.000 1.873 17 A HA -0.180 4.146 4.320 0.009 0.000 0.215 17 A C 2.330 179.951 177.584 0.060 0.000 1.186 17 A CA 1.286 53.273 52.037 -0.084 0.000 0.616 17 A CB -0.318 18.430 19.000 -0.420 0.000 0.823 17 A HN 0.219 nan 8.150 nan 0.000 0.442 18 M N -0.386 119.190 119.600 -0.040 0.000 2.117 18 M HA -0.110 4.375 4.480 0.009 0.000 0.262 18 M C 2.514 178.844 176.300 0.051 0.000 1.065 18 M CA 1.567 56.901 55.300 0.057 0.000 1.114 18 M CB -1.311 31.358 32.600 0.115 0.000 1.361 18 M HN 0.501 nan 8.290 nan 0.000 0.408 19 A N 0.155 122.997 122.820 0.037 0.000 1.933 19 A HA -0.016 4.309 4.320 0.009 0.000 0.218 19 A C 2.391 179.988 177.584 0.021 0.000 1.175 19 A CA 1.921 53.974 52.037 0.027 0.000 0.628 19 A CB -1.354 17.653 19.000 0.012 0.000 0.814 19 A HN 0.521 nan 8.150 nan 0.000 0.444 20 G N -0.002 108.815 108.800 0.028 0.000 2.422 20 G HA2 -0.283 3.683 3.960 0.009 0.000 0.218 20 G HA3 -0.283 3.683 3.960 0.009 0.000 0.218 20 G C 1.544 176.447 174.900 0.004 0.000 1.140 20 G CA 1.084 46.205 45.100 0.035 0.000 0.775 20 G HN 0.548 nan 8.290 nan 0.000 0.545 21 N N 1.631 120.319 118.700 -0.019 0.000 2.043 21 N HA -0.130 4.616 4.740 0.009 0.000 0.193 21 N C 2.427 177.823 175.510 -0.190 0.000 1.037 21 N CA 1.868 54.807 53.050 -0.185 0.000 0.851 21 N CB -0.468 37.815 38.487 -0.340 0.000 1.027 21 N HN 0.257 nan 8.380 nan 0.000 0.422 22 A N 1.153 123.907 122.820 -0.110 0.000 1.832 22 A HA 0.065 4.390 4.320 0.009 0.000 0.214 22 A C 1.070 178.627 177.584 -0.045 0.000 1.204 22 A CA 0.679 52.660 52.037 -0.092 0.000 0.606 22 A CB -0.903 18.078 19.000 -0.031 0.000 0.849 22 A HN 0.085 nan 8.150 nan 0.000 0.445 23 V N 1.218 121.134 119.914 0.003 0.000 2.416 23 V HA 0.409 4.535 4.120 0.009 0.000 0.260 23 V C 0.861 177.023 176.094 0.113 0.000 1.018 23 V CA 0.443 62.773 62.300 0.049 0.000 1.120 23 V CB -0.727 31.148 31.823 0.088 0.000 1.081 23 V HN 0.652 nan 8.190 nan 0.000 0.474 24 G N 2.959 111.845 108.800 0.143 0.000 3.166 24 G HA2 0.478 4.444 3.960 0.009 0.000 0.267 24 G HA3 0.478 4.444 3.960 0.009 0.000 0.267 24 G C 0.471 175.568 174.900 0.328 0.000 1.256 24 G CA -0.858 44.388 45.100 0.243 0.000 0.859 24 G HN 0.434 nan 8.290 nan 0.000 0.590 25 L N 0.759 122.192 121.223 0.351 0.000 2.189 25 L HA -0.057 4.289 4.340 0.009 0.000 0.214 25 L C 2.977 180.043 176.870 0.327 0.000 1.097 25 L CA 1.369 56.373 54.840 0.274 0.000 0.764 25 L CB -0.556 41.553 42.059 0.083 0.000 0.900 25 L HN 0.646 nan 8.230 nan 0.000 0.436 26 G N 0.213 109.287 108.800 0.457 0.000 2.432 26 G HA2 -0.267 3.698 3.960 0.009 0.000 0.219 26 G HA3 -0.267 3.698 3.960 0.009 0.000 0.219 26 G C 1.294 176.332 174.900 0.231 0.000 1.135 26 G CA 1.045 46.411 45.100 0.444 0.000 0.767 26 G HN 0.424 nan 8.290 nan 0.000 0.550 27 N N 0.044 118.787 118.700 0.072 0.000 2.171 27 N HA 0.024 4.769 4.740 0.009 0.000 0.184 27 N C 1.478 176.825 175.510 -0.271 0.000 1.021 27 N CA 1.009 53.911 53.050 -0.247 0.000 0.854 27 N CB -0.240 37.843 38.487 -0.672 0.000 0.994 27 N HN 0.394 nan 8.380 nan 0.000 0.426 28 F N -0.647 119.400 119.950 0.162 0.000 2.678 28 F HA 0.365 4.898 4.527 0.009 0.000 0.291 28 F C 1.597 177.534 175.800 0.229 0.000 1.123 28 F CA 0.124 58.241 58.000 0.194 0.000 1.395 28 F CB 0.188 39.229 39.000 0.068 0.000 1.121 28 F HN -0.071 nan 8.300 nan 0.000 0.592 29 L N -1.249 120.153 121.223 0.299 0.000 2.435 29 L HA 0.189 4.535 4.340 0.009 0.000 0.195 29 L C 2.442 179.375 176.870 0.104 0.000 1.072 29 L CA 0.339 55.313 54.840 0.223 0.000 0.833 29 L CB -0.260 41.933 42.059 0.223 0.000 1.081 29 L HN -0.131 nan 8.230 nan 0.000 0.485 30 R N -0.003 120.542 120.500 0.076 0.000 2.062 30 R HA -0.135 4.210 4.340 0.009 0.000 0.226 30 R C 2.387 178.666 176.300 -0.035 0.000 1.125 30 R CA 1.433 57.509 56.100 -0.041 0.000 0.966 30 R CB -0.258 29.965 30.300 -0.128 0.000 0.861 30 R HN 0.122 nan 8.270 nan 0.000 0.433 31 F N 2.200 122.104 119.950 -0.076 0.000 2.091 31 F HA -0.103 4.430 4.527 0.009 0.000 0.299 31 F C -1.188 174.483 175.800 -0.216 0.000 1.103 31 F CA 1.388 59.307 58.000 -0.136 0.000 1.228 31 F CB -0.945 37.986 39.000 -0.115 0.000 0.984 31 F HN 0.059 nan 8.300 nan 0.000 0.477 32 P HA -0.155 nan 4.420 nan 0.000 0.215 32 P C 2.116 179.202 177.300 -0.356 0.000 1.153 32 P CA 1.807 64.742 63.100 -0.274 0.000 0.853 32 P CB -0.080 31.607 31.700 -0.021 0.000 0.788 33 V N -0.156 119.596 119.914 -0.271 0.000 2.307 33 V HA -0.243 3.882 4.120 0.009 0.000 0.245 33 V C 2.579 178.434 176.094 -0.398 0.000 1.045 33 V CA 1.718 63.856 62.300 -0.270 0.000 1.024 33 V CB -1.140 30.560 31.823 -0.204 0.000 0.651 33 V HN 0.123 nan 8.190 nan 0.000 0.449 34 Q N 0.043 119.534 119.800 -0.516 0.000 2.050 34 Q HA -0.163 4.183 4.340 0.009 0.000 0.202 34 Q C 2.448 177.747 176.000 -1.169 0.000 0.980 34 Q CA 2.058 57.432 55.803 -0.715 0.000 0.840 34 Q CB -0.796 27.551 28.738 -0.653 0.000 0.898 34 Q HN 0.640 nan 8.270 nan 0.000 0.424 35 A N 1.045 123.023 122.820 -1.402 0.000 1.902 35 A HA -0.064 4.261 4.320 0.009 0.000 0.217 35 A C 2.329 179.521 177.584 -0.652 0.000 1.181 35 A CA 1.945 53.187 52.037 -1.325 0.000 0.623 35 A CB -0.641 17.591 19.000 -1.281 0.000 0.818 35 A HN 0.368 nan 8.150 nan 0.000 0.443 36 A N -0.272 122.291 122.820 -0.429 0.000 1.930 36 A HA -0.127 4.199 4.320 0.009 0.000 0.217 36 A C 1.877 179.403 177.584 -0.097 0.000 1.175 36 A CA 1.492 53.470 52.037 -0.099 0.000 0.627 36 A CB -0.482 18.460 19.000 -0.098 0.000 0.815 36 A HN 0.617 nan 8.150 nan 0.000 0.443 37 E N 0.011 120.080 120.200 -0.219 0.000 2.268 37 E HA -0.086 4.269 4.350 0.009 0.000 0.195 37 E C 0.229 176.747 176.600 -0.137 0.000 0.995 37 E CA 0.686 56.987 56.400 -0.166 0.000 0.836 37 E CB -0.051 29.531 29.700 -0.197 0.000 0.763 37 E HN 0.509 nan 8.360 nan 0.000 0.491 38 N N -0.363 118.218 118.700 -0.199 0.000 2.389 38 N HA 0.088 4.834 4.740 0.009 0.000 0.260 38 N C 0.287 175.737 175.510 -0.100 0.000 1.191 38 N CA 0.529 53.506 53.050 -0.122 0.000 0.885 38 N CB 1.569 40.012 38.487 -0.073 0.000 1.162 38 N HN 0.198 nan 8.380 nan 0.000 0.512 39 G N 0.307 109.064 108.800 -0.072 0.000 2.159 39 G HA2 -0.298 3.667 3.960 0.009 0.000 0.256 39 G HA3 -0.298 3.667 3.960 0.009 0.000 0.256 39 G C 0.927 175.561 174.900 -0.443 0.000 0.977 39 G CA 0.459 45.505 45.100 -0.091 0.000 0.652 39 G HN 0.698 nan 8.290 nan 0.000 0.531 40 G N -0.206 108.248 108.800 -0.576 0.000 2.815 40 G HA2 -0.059 3.907 3.960 0.009 0.000 0.326 40 G HA3 -0.059 3.907 3.960 0.009 0.000 0.326 40 G C 2.188 176.702 174.900 -0.644 0.000 1.191 40 G CA 2.034 46.548 45.100 -0.977 0.000 0.965 40 G HN 1.955 nan 8.290 nan 0.000 0.564 41 G N 0.721 109.117 108.800 -0.673 0.000 2.462 41 G HA2 0.204 4.170 3.960 0.009 0.000 0.220 41 G HA3 0.204 4.170 3.960 0.009 0.000 0.220 41 G C 2.009 176.710 174.900 -0.332 0.000 1.121 41 G CA 2.736 47.581 45.100 -0.425 0.000 0.758 41 G HN 1.821 nan 8.290 nan 0.000 0.559 42 A N -0.071 122.566 122.820 -0.305 0.000 2.066 42 A HA 0.203 4.529 4.320 0.009 0.000 0.218 42 A C 1.989 179.443 177.584 -0.215 0.000 1.157 42 A CA 1.106 52.998 52.037 -0.242 0.000 0.670 42 A CB -0.359 18.537 19.000 -0.175 0.000 0.804 42 A HN 0.413 nan 8.150 nan 0.000 0.453 43 F N -0.369 119.366 119.950 -0.360 0.000 2.416 43 F HA 0.009 4.541 4.527 0.008 0.000 0.296 43 F C 1.973 177.608 175.800 -0.275 0.000 1.099 43 F CA 1.056 58.856 58.000 -0.333 0.000 1.427 43 F CB 0.000 38.774 39.000 -0.377 0.000 1.079 43 F HN 0.066 nan 8.300 nan 0.000 0.536 44 M N -0.103 119.324 119.600 -0.287 0.000 2.254 44 M HA -0.106 4.379 4.480 0.009 0.000 0.265 44 M C 2.179 178.376 176.300 -0.172 0.000 1.066 44 M CA 0.904 56.053 55.300 -0.253 0.000 1.123 44 M CB -0.989 31.436 32.600 -0.291 0.000 1.388 44 M HN 0.131 nan 8.290 nan 0.000 0.425 45 I N 0.765 121.198 120.570 -0.228 0.000 2.113 45 I HA -0.179 3.997 4.170 0.009 0.000 0.238 45 I C -0.364 175.608 176.117 -0.242 0.000 1.070 45 I CA 1.715 62.916 61.300 -0.165 0.000 1.332 45 I CB -2.757 35.146 38.000 -0.161 0.000 1.044 45 I HN 0.103 nan 8.210 nan 0.000 0.402 46 P HA -0.206 nan 4.420 nan 0.000 0.218 46 P C 1.869 178.960 177.300 -0.350 0.000 1.148 46 P CA 1.420 64.009 63.100 -0.852 0.000 0.822 46 P CB -0.229 30.628 31.700 -1.405 0.000 0.784 47 Y N 0.284 120.263 120.300 -0.534 0.000 2.145 47 Y HA -0.168 4.388 4.550 0.010 0.000 0.286 47 Y C 2.105 177.952 175.900 -0.088 0.000 1.145 47 Y CA 1.501 59.373 58.100 -0.380 0.000 1.148 47 Y CB -0.854 37.280 38.460 -0.542 0.000 0.981 47 Y HN -0.198 nan 8.280 nan 0.000 0.507 48 I N -0.182 120.418 120.570 0.049 0.000 2.226 48 I HA -0.326 3.849 4.170 0.009 0.000 0.245 48 I C 2.261 178.428 176.117 0.084 0.000 1.100 48 I CA 1.461 62.814 61.300 0.089 0.000 1.374 48 I CB -0.383 37.702 38.000 0.143 0.000 1.057 48 I HN 0.266 nan 8.210 nan 0.000 0.413 49 I N 0.751 121.361 120.570 0.067 0.000 2.315 49 I HA -0.256 3.919 4.170 0.009 0.000 0.248 49 I C 2.784 178.918 176.117 0.029 0.000 1.117 49 I CA 1.238 62.594 61.300 0.094 0.000 1.404 49 I CB -0.434 37.708 38.000 0.236 0.000 1.071 49 I HN 0.180 nan 8.210 nan 0.000 0.419 50 A N 0.612 123.469 122.820 0.062 0.000 1.930 50 A HA -0.247 4.079 4.320 0.009 0.000 0.217 50 A C 2.194 179.751 177.584 -0.045 0.000 1.175 50 A CA 1.216 53.284 52.037 0.050 0.000 0.627 50 A CB -0.870 18.224 19.000 0.157 0.000 0.815 50 A HN 0.443 nan 8.150 nan 0.000 0.443 51 F N 0.667 120.473 119.950 -0.240 0.000 2.134 51 F HA -0.135 4.398 4.527 0.010 0.000 0.299 51 F C 1.820 177.524 175.800 -0.161 0.000 1.097 51 F CA 1.670 59.517 58.000 -0.254 0.000 1.264 51 F CB -0.251 38.573 39.000 -0.294 0.000 1.001 51 F HN 0.145 nan 8.300 nan 0.000 0.479 52 L N -0.639 120.485 121.223 -0.166 0.000 2.095 52 L HA -0.136 4.210 4.340 0.009 0.000 0.204 52 L C 2.221 179.040 176.870 -0.085 0.000 1.080 52 L CA 0.931 55.681 54.840 -0.151 0.000 0.759 52 L CB -0.546 41.511 42.059 -0.003 0.000 0.914 52 L HN 0.163 nan 8.230 nan 0.000 0.439 53 L N -1.677 119.454 121.223 -0.153 0.000 2.477 53 L HA 0.029 4.374 4.340 0.009 0.000 0.220 53 L C 1.671 178.440 176.870 -0.168 0.000 1.106 53 L CA 0.032 54.760 54.840 -0.186 0.000 0.851 53 L CB 0.389 42.189 42.059 -0.430 0.000 0.994 53 L HN 0.046 nan 8.230 nan 0.000 0.462 54 V N -1.590 118.214 119.914 -0.183 0.000 3.161 54 V HA 0.203 4.328 4.120 0.009 0.000 0.221 54 V C 2.294 178.213 176.094 -0.291 0.000 1.296 54 V CA 0.913 63.118 62.300 -0.158 0.000 1.306 54 V CB -0.368 31.440 31.823 -0.026 0.000 1.171 54 V HN 0.277 nan 8.190 nan 0.000 0.513 55 G N 1.272 109.873 108.800 -0.332 0.000 2.514 55 G HA2 -0.224 3.742 3.960 0.009 0.000 0.217 55 G HA3 -0.224 3.742 3.960 0.009 0.000 0.217 55 G C 1.455 176.029 174.900 -0.543 0.000 1.198 55 G CA 1.461 46.331 45.100 -0.385 0.000 0.780 55 G HN 0.306 nan 8.290 nan 0.000 0.565 56 I N 2.312 122.397 120.570 -0.809 0.000 2.142 56 I HA -0.075 4.100 4.170 0.009 0.000 0.240 56 I C 0.253 175.838 176.117 -0.886 0.000 1.078 56 I CA 1.225 61.908 61.300 -1.028 0.000 1.343 56 I CB -2.003 35.286 38.000 -1.185 0.000 1.046 56 I HN 0.173 nan 8.210 nan 0.000 0.405 57 P HA -0.156 nan 4.420 nan 0.000 0.215 57 P C 2.320 179.550 177.300 -0.117 0.000 1.153 57 P CA 1.517 64.498 63.100 -0.199 0.000 0.853 57 P CB -0.029 31.640 31.700 -0.053 0.000 0.788 58 L N -1.792 119.323 121.223 -0.181 0.000 2.083 58 L HA -0.148 4.197 4.340 0.009 0.000 0.209 58 L C 2.819 179.650 176.870 -0.066 0.000 1.083 58 L CA 1.223 55.993 54.840 -0.117 0.000 0.752 58 L CB -0.698 41.249 42.059 -0.187 0.000 0.899 58 L HN -0.028 nan 8.230 nan 0.000 0.433 59 M N -0.646 118.857 119.600 -0.163 0.000 2.080 59 M HA -0.261 4.224 4.480 0.009 0.000 0.260 59 M C 1.966 178.328 176.300 0.102 0.000 1.068 59 M CA 2.028 57.291 55.300 -0.062 0.000 1.109 59 M CB -0.561 31.873 32.600 -0.276 0.000 1.342 59 M HN 0.163 nan 8.290 nan 0.000 0.405 60 W N 0.280 121.534 121.300 -0.077 0.000 2.358 60 W HA -0.132 4.534 4.660 0.010 0.000 0.303 60 W C 2.367 178.925 176.519 0.065 0.000 1.208 60 W CA 1.251 58.554 57.345 -0.070 0.000 1.274 60 W CB -1.241 28.127 29.460 -0.153 0.000 1.138 60 W HN 0.280 nan 8.180 nan 0.000 0.515 61 I N 0.231 120.971 120.570 0.284 0.000 2.208 61 I HA -0.304 3.872 4.170 0.009 0.000 0.245 61 I C 2.279 178.389 176.117 -0.012 0.000 1.097 61 I CA 1.535 62.941 61.300 0.178 0.000 1.363 61 I CB -0.459 37.646 38.000 0.175 0.000 1.051 61 I HN -0.021 nan 8.210 nan 0.000 0.413 62 E N -0.304 119.945 120.200 0.082 0.000 2.072 62 E HA -0.225 4.130 4.350 0.009 0.000 0.191 62 E C 2.055 178.718 176.600 0.106 0.000 0.985 62 E CA 1.266 57.700 56.400 0.057 0.000 0.801 62 E CB -0.174 29.579 29.700 0.089 0.000 0.750 62 E HN 0.489 nan 8.360 nan 0.000 0.452 63 W N 1.197 122.510 121.300 0.022 0.000 2.338 63 W HA -0.170 4.495 4.660 0.009 0.000 0.304 63 W C 2.604 179.146 176.519 0.040 0.000 1.212 63 W CA 1.518 58.899 57.345 0.061 0.000 1.264 63 W CB -0.583 28.941 29.460 0.106 0.000 1.142 63 W HN 0.081 nan 8.180 nan 0.000 0.512 64 A N -0.514 122.453 122.820 0.245 0.000 1.898 64 A HA -0.201 4.125 4.320 0.009 0.000 0.216 64 A C 1.952 179.519 177.584 -0.028 0.000 1.181 64 A CA 1.944 54.059 52.037 0.130 0.000 0.620 64 A CB -0.828 18.269 19.000 0.160 0.000 0.819 64 A HN 0.260 nan 8.150 nan 0.000 0.442 65 M N -0.589 118.843 119.600 -0.280 0.000 2.117 65 M HA -0.087 4.399 4.480 0.009 0.000 0.262 65 M C 2.322 178.616 176.300 -0.010 0.000 1.065 65 M CA 1.436 56.563 55.300 -0.289 0.000 1.114 65 M CB -0.596 31.779 32.600 -0.375 0.000 1.361 65 M HN 0.508 nan 8.290 nan 0.000 0.408 66 G N 0.040 108.840 108.800 0.000 0.000 2.421 66 G HA2 -0.231 3.735 3.960 0.009 0.000 0.216 66 G HA3 -0.231 3.735 3.960 0.009 0.000 0.216 66 G C 1.581 176.504 174.900 0.038 0.000 1.171 66 G CA 0.853 45.957 45.100 0.007 0.000 0.775 66 G HN 0.383 nan 8.290 nan 0.000 0.543 67 R N -0.970 119.589 120.500 0.098 0.000 2.081 67 R HA -0.141 4.205 4.340 0.009 0.000 0.235 67 R C 2.264 178.645 176.300 0.134 0.000 1.131 67 R CA 1.508 57.686 56.100 0.131 0.000 0.960 67 R CB -0.548 29.867 30.300 0.192 0.000 0.856 67 R HN 0.430 nan 8.270 nan 0.000 0.436 68 Y N 0.299 120.624 120.300 0.042 0.000 2.128 68 Y HA -0.124 4.431 4.550 0.009 0.000 0.284 68 Y C 2.126 178.049 175.900 0.039 0.000 1.154 68 Y CA 2.080 60.208 58.100 0.046 0.000 1.149 68 Y CB -0.729 37.748 38.460 0.030 0.000 0.976 68 Y HN 0.174 nan 8.280 nan 0.000 0.505 69 G N -0.847 108.016 108.800 0.105 0.000 2.402 69 G HA2 -0.205 3.760 3.960 0.009 0.000 0.216 69 G HA3 -0.205 3.760 3.960 0.009 0.000 0.216 69 G C 1.895 176.785 174.900 -0.017 0.000 1.162 69 G CA 0.655 45.784 45.100 0.048 0.000 0.777 69 G HN 0.612 nan 8.290 nan 0.000 0.539 70 G N 1.118 109.888 108.800 -0.050 0.000 2.450 70 G HA2 0.024 3.990 3.960 0.009 0.000 0.220 70 G HA3 0.024 3.990 3.960 0.009 0.000 0.220 70 G C 1.965 176.821 174.900 -0.073 0.000 1.130 70 G CA 1.414 46.449 45.100 -0.109 0.000 0.760 70 G HN 0.648 nan 8.290 nan 0.000 0.557 71 A N -0.060 122.726 122.820 -0.056 0.000 2.070 71 A HA 0.020 4.346 4.320 0.009 0.000 0.220 71 A C 2.101 179.637 177.584 -0.080 0.000 1.159 71 A CA 1.392 53.398 52.037 -0.051 0.000 0.656 71 A CB -0.120 18.837 19.000 -0.071 0.000 0.800 71 A HN 0.492 nan 8.150 nan 0.000 0.453 72 Q N -1.655 118.087 119.800 -0.098 0.000 2.198 72 Q HA 0.331 4.677 4.340 0.009 0.000 0.209 72 Q C 0.732 176.648 176.000 -0.140 0.000 0.848 72 Q CA 0.198 55.965 55.803 -0.061 0.000 0.974 72 Q CB 0.544 29.284 28.738 0.003 0.000 1.115 72 Q HN 0.790 nan 8.270 nan 0.000 0.494 73 G N 1.619 110.296 108.800 -0.205 0.000 2.137 73 G HA2 -0.205 3.760 3.960 0.009 0.000 0.237 73 G HA3 -0.205 3.760 3.960 0.009 0.000 0.237 73 G C -0.330 174.231 174.900 -0.565 0.000 1.002 73 G CA -0.194 44.691 45.100 -0.360 0.000 0.702 73 G HN 0.431 nan 8.290 nan 0.000 0.515 74 H N -1.208 117.803 119.070 -0.099 0.000 2.600 74 H HA 0.583 5.145 4.556 0.009 0.000 0.357 74 H C 0.844 176.105 175.328 -0.111 0.000 1.106 74 H CA -0.028 55.971 56.048 -0.081 0.000 1.193 74 H CB 1.807 31.552 29.762 -0.028 0.000 1.594 74 H HN 0.297 nan 8.280 nan 0.000 0.526 75 G N 1.478 110.280 108.800 0.002 0.000 3.104 75 G HA2 0.028 3.994 3.960 0.009 0.000 0.237 75 G HA3 0.028 3.994 3.960 0.009 0.000 0.237 75 G C 0.279 175.178 174.900 -0.001 0.000 1.035 75 G CA 0.139 45.185 45.100 -0.089 0.000 0.844 75 G HN 0.600 nan 8.290 nan 0.000 0.531 76 T N -2.764 111.827 114.554 0.061 0.000 2.924 76 T HA 0.459 4.815 4.350 0.009 0.000 0.291 76 T C 1.492 176.189 174.700 -0.004 0.000 1.045 76 T CA 0.438 62.568 62.100 0.049 0.000 1.015 76 T CB 1.543 70.477 68.868 0.111 0.000 1.103 76 T HN 0.039 nan 8.240 nan 0.000 0.496 77 T N -2.092 112.394 114.554 -0.114 0.000 2.915 77 T HA 0.067 4.423 4.350 0.009 0.000 0.269 77 T C -1.098 173.395 174.700 -0.345 0.000 1.071 77 T CA 0.628 62.508 62.100 -0.368 0.000 1.132 77 T CB -1.657 66.811 68.868 -0.666 0.000 0.878 77 T HN 0.426 nan 8.240 nan 0.000 0.479 78 P HA 0.055 nan 4.420 nan 0.000 0.215 78 P C 1.832 179.139 177.300 0.012 0.000 1.157 78 P CA 1.554 64.608 63.100 -0.077 0.000 0.868 78 P CB -0.338 31.320 31.700 -0.069 0.000 0.788 79 A N -0.831 121.989 122.820 -0.000 0.000 1.872 79 A HA -0.112 4.214 4.320 0.009 0.000 0.214 79 A C 2.222 179.821 177.584 0.025 0.000 1.187 79 A CA 1.233 53.221 52.037 -0.081 0.000 0.614 79 A CB -1.549 17.265 19.000 -0.310 0.000 0.826 79 A HN 0.073 nan 8.150 nan 0.000 0.442 80 I N -1.331 119.285 120.570 0.076 0.000 2.226 80 I HA -0.217 3.959 4.170 0.009 0.000 0.245 80 I C 2.148 178.480 176.117 0.358 0.000 1.100 80 I CA 1.062 62.472 61.300 0.184 0.000 1.374 80 I CB -0.381 37.717 38.000 0.163 0.000 1.057 80 I HN 0.220 nan 8.210 nan 0.000 0.413 81 F N 0.095 120.124 119.950 0.132 0.000 2.171 81 F HA -0.247 4.286 4.527 0.009 0.000 0.300 81 F C 2.461 178.397 175.800 0.227 0.000 1.090 81 F CA 1.110 59.216 58.000 0.176 0.000 1.293 81 F CB -1.256 37.858 39.000 0.191 0.000 1.013 81 F HN 0.099 nan 8.300 nan 0.000 0.486 82 Y N 0.210 120.655 120.300 0.243 0.000 2.314 82 Y HA -0.083 4.472 4.550 0.009 0.000 0.293 82 Y C 2.121 178.103 175.900 0.136 0.000 1.129 82 Y CA 1.098 59.269 58.100 0.118 0.000 1.201 82 Y CB -0.422 38.051 38.460 0.020 0.000 0.999 82 Y HN -0.043 nan 8.280 nan 0.000 0.541 83 L N -0.730 120.591 121.223 0.163 0.000 2.083 83 L HA -0.228 4.117 4.340 0.009 0.000 0.209 83 L C 2.096 179.078 176.870 0.188 0.000 1.083 83 L CA 1.180 56.107 54.840 0.144 0.000 0.752 83 L CB -0.514 41.683 42.059 0.229 0.000 0.899 83 L HN 0.254 nan 8.230 nan 0.000 0.433 84 L N -2.360 118.970 121.223 0.178 0.000 2.270 84 L HA -0.039 4.306 4.340 0.009 0.000 0.210 84 L C 0.312 177.403 176.870 0.370 0.000 1.104 84 L CA 0.180 55.105 54.840 0.141 0.000 0.804 84 L CB 0.059 42.108 42.059 -0.017 0.000 0.937 84 L HN 0.313 nan 8.230 nan 0.000 0.450 85 W N 1.138 122.473 121.300 0.059 0.000 2.680 85 W HA 0.306 4.972 4.660 0.009 0.000 0.305 85 W C -0.524 175.960 176.519 -0.059 0.000 1.033 85 W CA -1.359 56.011 57.345 0.042 0.000 1.242 85 W CB 0.655 30.156 29.460 0.068 0.000 1.138 85 W HN -0.214 nan 8.180 nan 0.000 0.358 86 R N 4.731 125.161 120.500 -0.118 0.000 3.641 86 R HA 0.116 4.461 4.340 0.009 0.000 0.189 86 R C -0.245 175.857 176.300 -0.330 0.000 1.706 86 R CA 0.121 55.900 56.100 -0.534 0.000 1.311 86 R CB -0.706 29.395 30.300 -0.333 0.000 1.330 86 R HN 0.414 nan 8.270 nan 0.000 0.727 87 N N 0.709 119.197 118.700 -0.354 0.000 2.369 87 N HA 0.080 4.825 4.740 0.009 0.000 0.287 87 N C 0.581 176.025 175.510 -0.109 0.000 1.067 87 N CA -0.467 52.368 53.050 -0.359 0.000 0.888 87 N CB 1.782 39.606 38.487 -1.105 0.000 1.616 87 N HN 0.041 nan 8.380 nan 0.000 0.482 88 R N 2.211 122.718 120.500 0.011 0.000 2.133 88 R HA -0.088 4.257 4.340 0.009 0.000 0.247 88 R C 1.533 177.871 176.300 0.064 0.000 1.151 88 R CA 1.709 57.829 56.100 0.034 0.000 0.971 88 R CB -0.663 29.671 30.300 0.056 0.000 0.866 88 R HN 0.596 nan 8.270 nan 0.000 0.447 89 F N 0.216 120.060 119.950 -0.177 0.000 2.293 89 F HA 0.072 4.605 4.527 0.009 0.000 0.300 89 F C 1.948 177.717 175.800 -0.053 0.000 1.086 89 F CA 0.806 58.748 58.000 -0.096 0.000 1.375 89 F CB -0.591 38.367 39.000 -0.071 0.000 1.045 89 F HN 0.144 nan 8.300 nan 0.000 0.516 90 A N -0.034 122.648 122.820 -0.229 0.000 1.902 90 A HA -0.196 4.129 4.320 0.009 0.000 0.217 90 A C 2.313 180.025 177.584 0.214 0.000 1.181 90 A CA 1.667 53.731 52.037 0.045 0.000 0.623 90 A CB -0.545 18.494 19.000 0.064 0.000 0.818 90 A HN 0.381 nan 8.150 nan 0.000 0.443 91 K N -0.416 120.042 120.400 0.096 0.000 2.057 91 K HA -0.031 4.294 4.320 0.009 0.000 0.207 91 K C 1.779 178.384 176.600 0.008 0.000 1.049 91 K CA 1.517 57.819 56.287 0.025 0.000 0.931 91 K CB -0.334 32.102 32.500 -0.107 0.000 0.714 91 K HN 0.545 nan 8.250 nan 0.000 0.440 92 I N 1.064 121.640 120.570 0.009 0.000 2.202 92 I HA -0.267 3.909 4.170 0.009 0.000 0.242 92 I C 2.167 178.343 176.117 0.099 0.000 1.091 92 I CA 1.130 62.441 61.300 0.019 0.000 1.368 92 I CB -0.278 37.770 38.000 0.080 0.000 1.058 92 I HN 0.113 nan 8.210 nan 0.000 0.410 93 L N 0.617 121.882 121.223 0.070 0.000 2.131 93 L HA -0.146 4.200 4.340 0.009 0.000 0.210 93 L C 2.628 179.862 176.870 0.606 0.000 1.092 93 L CA 1.470 56.541 54.840 0.385 0.000 0.759 93 L CB -1.054 41.162 42.059 0.262 0.000 0.903 93 L HN 0.337 nan 8.230 nan 0.000 0.435 94 G N -0.627 108.387 108.800 0.357 0.000 2.470 94 G HA2 -0.162 3.803 3.960 0.009 0.000 0.220 94 G HA3 -0.162 3.803 3.960 0.009 0.000 0.220 94 G C 1.568 176.410 174.900 -0.097 0.000 1.121 94 G CA 0.629 45.696 45.100 -0.056 0.000 0.766 94 G HN 0.214 nan 8.290 nan 0.000 0.553 95 V N 0.382 120.222 119.914 -0.123 0.000 2.469 95 V HA -0.169 3.956 4.120 0.009 0.000 0.251 95 V C 2.406 178.315 176.094 -0.309 0.000 1.064 95 V CA 1.368 63.426 62.300 -0.402 0.000 1.066 95 V CB -0.645 30.684 31.823 -0.822 0.000 0.667 95 V HN 0.355 nan 8.190 nan 0.000 0.461 96 F N 1.335 121.278 119.950 -0.013 0.000 2.250 96 F HA -0.059 4.473 4.527 0.010 0.000 0.301 96 F C 2.314 177.797 175.800 -0.528 0.000 1.077 96 F CA 1.430 59.401 58.000 -0.049 0.000 1.348 96 F CB -0.875 38.142 39.000 0.028 0.000 1.040 96 F HN 0.239 nan 8.300 nan 0.000 0.509 97 G N -0.790 107.689 108.800 -0.535 0.000 2.650 97 G HA2 -0.028 3.938 3.960 0.009 0.000 0.214 97 G HA3 -0.028 3.938 3.960 0.009 0.000 0.214 97 G C 1.528 176.295 174.900 -0.222 0.000 1.136 97 G CA 0.346 45.148 45.100 -0.496 0.000 0.789 97 G HN 0.340 nan 8.290 nan 0.000 0.536 98 L N -2.110 118.989 121.223 -0.207 0.000 2.388 98 L HA 0.248 4.594 4.340 0.009 0.000 0.209 98 L C 2.399 179.223 176.870 -0.078 0.000 1.061 98 L CA -0.021 54.711 54.840 -0.180 0.000 0.834 98 L CB -0.209 41.640 42.059 -0.350 0.000 1.029 98 L HN 0.351 nan 8.230 nan 0.000 0.473 99 W N 1.633 122.792 121.300 -0.236 0.000 2.379 99 W HA -0.140 4.525 4.660 0.009 0.000 0.307 99 W C 2.182 178.695 176.519 -0.011 0.000 1.200 99 W CA 1.507 58.783 57.345 -0.115 0.000 1.297 99 W CB -0.096 29.314 29.460 -0.083 0.000 1.140 99 W HN -0.068 nan 8.180 nan 0.000 0.507 100 I N 1.833 122.437 120.570 0.057 0.000 2.127 100 I HA -0.286 3.889 4.170 0.009 0.000 0.241 100 I C -0.365 175.665 176.117 -0.145 0.000 1.075 100 I CA 1.682 62.902 61.300 -0.134 0.000 1.334 100 I CB -1.908 36.055 38.000 -0.061 0.000 1.040 100 I HN -0.058 nan 8.210 nan 0.000 0.405 101 P HA -0.167 nan 4.420 nan 0.000 0.219 101 P C 1.885 179.143 177.300 -0.070 0.000 1.150 101 P CA 1.248 64.335 63.100 -0.022 0.000 0.814 101 P CB -0.029 31.662 31.700 -0.015 0.000 0.787 102 L N 0.224 121.391 121.223 -0.093 0.000 2.017 102 L HA -0.107 4.239 4.340 0.009 0.000 0.208 102 L C 2.440 179.256 176.870 -0.090 0.000 1.073 102 L CA 1.775 56.578 54.840 -0.062 0.000 0.745 102 L CB -1.309 40.728 42.059 -0.036 0.000 0.894 102 L HN -0.241 nan 8.230 nan 0.000 0.432 103 V N -1.181 118.586 119.914 -0.245 0.000 2.343 103 V HA -0.256 3.870 4.120 0.009 0.000 0.247 103 V C 2.502 178.589 176.094 -0.011 0.000 1.051 103 V CA 1.587 63.773 62.300 -0.190 0.000 1.036 103 V CB -0.470 31.040 31.823 -0.522 0.000 0.654 103 V HN 0.348 nan 8.190 nan 0.000 0.451 104 V N 0.327 120.195 119.914 -0.078 0.000 2.343 104 V HA -0.238 3.887 4.120 0.009 0.000 0.247 104 V C 2.718 178.592 176.094 -0.366 0.000 1.051 104 V CA 1.882 64.034 62.300 -0.245 0.000 1.036 104 V CB -1.110 30.689 31.823 -0.040 0.000 0.654 104 V HN 0.558 nan 8.190 nan 0.000 0.451 105 A N 0.002 122.733 122.820 -0.149 0.000 1.940 105 A HA -0.216 4.110 4.320 0.009 0.000 0.219 105 A C 2.162 179.768 177.584 0.037 0.000 1.176 105 A CA 2.012 54.018 52.037 -0.052 0.000 0.631 105 A CB -0.615 18.384 19.000 -0.002 0.000 0.814 105 A HN 0.525 nan 8.150 nan 0.000 0.446 106 I N -1.210 119.398 120.570 0.063 0.000 2.361 106 I HA -0.290 3.886 4.170 0.009 0.000 0.251 106 I C 2.337 178.567 176.117 0.190 0.000 1.133 106 I CA 1.826 63.219 61.300 0.154 0.000 1.413 106 I CB -0.254 37.853 38.000 0.179 0.000 1.073 106 I HN 0.756 nan 8.210 nan 0.000 0.424 107 Y N -2.771 117.621 120.300 0.153 0.000 2.535 107 Y HA 0.083 4.639 4.550 0.009 0.000 0.266 107 Y C 2.210 178.194 175.900 0.140 0.000 1.088 107 Y CA -0.193 57.989 58.100 0.137 0.000 1.285 107 Y CB -1.006 37.539 38.460 0.143 0.000 1.166 107 Y HN -0.010 nan 8.280 nan 0.000 0.525 108 Y N 1.372 121.456 120.300 -0.360 0.000 2.200 108 Y HA -0.124 4.431 4.550 0.009 0.000 0.290 108 Y C 2.229 178.094 175.900 -0.059 0.000 1.137 108 Y CA 2.037 60.006 58.100 -0.219 0.000 1.163 108 Y CB -0.141 38.135 38.460 -0.307 0.000 0.988 108 Y HN 0.029 nan 8.280 nan 0.000 0.518 109 V N -0.576 119.472 119.914 0.223 0.000 2.515 109 V HA -0.293 3.833 4.120 0.009 0.000 0.250 109 V C 1.935 178.226 176.094 0.328 0.000 1.058 109 V CA 1.936 64.400 62.300 0.273 0.000 1.064 109 V CB -1.098 30.918 31.823 0.321 0.000 0.675 109 V HN 0.490 nan 8.190 nan 0.000 0.461 110 Y N 0.884 121.232 120.300 0.081 0.000 2.145 110 Y HA -0.197 4.359 4.550 0.010 0.000 0.286 110 Y C 2.260 177.793 175.900 -0.613 0.000 1.145 110 Y CA 1.390 59.373 58.100 -0.194 0.000 1.148 110 Y CB -0.382 37.841 38.460 -0.395 0.000 0.981 110 Y HN 0.188 nan 8.280 nan 0.000 0.507 111 I N 0.176 120.188 120.570 -0.930 0.000 2.226 111 I HA -0.303 3.873 4.170 0.009 0.000 0.245 111 I C 2.517 178.196 176.117 -0.730 0.000 1.100 111 I CA 1.880 62.261 61.300 -1.531 0.000 1.374 111 I CB -0.550 36.871 38.000 -0.965 0.000 1.057 111 I HN 0.304 nan 8.210 nan 0.000 0.413 112 E N 1.292 121.277 120.200 -0.358 0.000 2.085 112 E HA -0.281 4.074 4.350 0.009 0.000 0.194 112 E C 2.256 178.953 176.600 0.161 0.000 0.994 112 E CA 1.963 58.336 56.400 -0.045 0.000 0.801 112 E CB -0.012 29.707 29.700 0.033 0.000 0.743 112 E HN 0.543 nan 8.360 nan 0.000 0.453 113 S N -0.256 115.531 115.700 0.146 0.000 2.399 113 S HA -0.154 4.322 4.470 0.009 0.000 0.231 113 S C 1.680 176.471 174.600 0.318 0.000 1.022 113 S CA 0.899 59.267 58.200 0.280 0.000 0.983 113 S CB -0.724 62.757 63.200 0.468 0.000 0.803 113 S HN 0.442 nan 8.310 nan 0.000 0.480 114 W N 2.953 124.251 121.300 -0.004 0.000 2.338 114 W HA -0.019 4.646 4.660 0.009 0.000 0.304 114 W C 3.058 179.572 176.519 -0.008 0.000 1.212 114 W CA 1.442 58.732 57.345 -0.092 0.000 1.264 114 W CB -1.929 27.238 29.460 -0.489 0.000 1.142 114 W HN 0.628 nan 8.180 nan 0.000 0.512 115 T N -1.038 113.706 114.554 0.317 0.000 2.833 115 T HA -0.181 4.174 4.350 0.009 0.000 0.269 115 T C 1.926 176.735 174.700 0.182 0.000 1.054 115 T CA 1.394 63.646 62.100 0.254 0.000 1.135 115 T CB -0.751 68.254 68.868 0.228 0.000 0.869 115 T HN -0.006 nan 8.240 nan 0.000 0.466 116 L N 2.148 123.417 121.223 0.077 0.000 2.027 116 L HA 0.303 4.648 4.340 0.009 0.000 0.206 116 L C 2.731 179.651 176.870 0.084 0.000 1.074 116 L CA 2.064 56.787 54.840 -0.195 0.000 0.745 116 L CB -1.314 40.413 42.059 -0.553 0.000 0.898 116 L HN 0.366 nan 8.230 nan 0.000 0.433 117 G N -1.132 107.789 108.800 0.202 0.000 2.440 117 G HA2 -0.306 3.660 3.960 0.009 0.000 0.218 117 G HA3 -0.306 3.660 3.960 0.009 0.000 0.218 117 G C 1.430 176.609 174.900 0.465 0.000 1.154 117 G CA 0.990 46.306 45.100 0.361 0.000 0.767 117 G HN 0.392 nan 8.290 nan 0.000 0.552 118 F N 1.729 121.680 119.950 0.002 0.000 2.146 118 F HA 0.130 4.662 4.527 0.009 0.000 0.298 118 F C 3.015 178.933 175.800 0.197 0.000 1.096 118 F CA 0.573 58.535 58.000 -0.063 0.000 1.275 118 F CB -0.649 37.775 39.000 -0.959 0.000 1.008 118 F HN 0.244 nan 8.300 nan 0.000 0.480 119 A N 0.519 123.574 122.820 0.391 0.000 1.883 119 A HA -0.197 4.129 4.320 0.009 0.000 0.217 119 A C 2.311 180.251 177.584 0.592 0.000 1.186 119 A CA 1.945 54.323 52.037 0.568 0.000 0.624 119 A CB -1.183 18.092 19.000 0.459 0.000 0.822 119 A HN 0.362 nan 8.150 nan 0.000 0.444 120 I N -0.518 120.314 120.570 0.436 0.000 2.127 120 I HA -0.328 3.848 4.170 0.009 0.000 0.241 120 I C 2.526 178.816 176.117 0.288 0.000 1.075 120 I CA 2.008 63.521 61.300 0.356 0.000 1.334 120 I CB -0.346 37.905 38.000 0.417 0.000 1.040 120 I HN 0.314 nan 8.210 nan 0.000 0.405 121 K N 0.027 120.618 120.400 0.317 0.000 2.097 121 K HA -0.146 4.180 4.320 0.009 0.000 0.206 121 K C 2.041 178.713 176.600 0.121 0.000 1.049 121 K CA 1.451 57.832 56.287 0.157 0.000 0.933 121 K CB -0.207 32.397 32.500 0.173 0.000 0.717 121 K HN 0.132 nan 8.250 nan 0.000 0.442 122 F N 0.715 120.762 119.950 0.163 0.000 2.259 122 F HA -0.109 4.423 4.527 0.009 0.000 0.298 122 F C 2.064 177.953 175.800 0.148 0.000 1.088 122 F CA 0.546 58.666 58.000 0.200 0.000 1.358 122 F CB -0.297 38.936 39.000 0.389 0.000 1.040 122 F HN -0.051 nan 8.300 nan 0.000 0.505 123 L N -0.300 121.063 121.223 0.235 0.000 2.046 123 L HA -0.129 4.217 4.340 0.009 0.000 0.208 123 L C 1.840 178.688 176.870 -0.038 0.000 1.077 123 L CA 1.661 56.425 54.840 -0.126 0.000 0.747 123 L CB -0.645 41.166 42.059 -0.413 0.000 0.896 123 L HN -0.051 nan 8.230 nan 0.000 0.432 124 V N 0.171 120.084 119.914 -0.001 0.000 3.623 124 V HA 0.290 4.416 4.120 0.009 0.000 0.271 124 V C 1.630 177.704 176.094 -0.034 0.000 1.248 124 V CA 0.688 62.976 62.300 -0.021 0.000 1.156 124 V CB -0.912 30.898 31.823 -0.021 0.000 0.870 124 V HN 0.718 nan 8.190 nan 0.000 0.453 125 G N 0.972 109.750 108.800 -0.036 0.000 2.160 125 G HA2 -0.266 3.699 3.960 0.009 0.000 0.251 125 G HA3 -0.266 3.699 3.960 0.009 0.000 0.251 125 G C 0.230 175.046 174.900 -0.141 0.000 1.008 125 G CA 0.183 45.235 45.100 -0.080 0.000 0.724 125 G HN 0.505 nan 8.290 nan 0.000 0.514 126 L N 0.927 122.059 121.223 -0.152 0.000 2.583 126 L HA 0.462 4.808 4.340 0.009 0.000 0.239 126 L C 0.881 177.615 176.870 -0.227 0.000 1.347 126 L CA -0.502 54.247 54.840 -0.152 0.000 1.246 126 L CB -0.006 41.980 42.059 -0.121 0.000 1.496 126 L HN 0.306 nan 8.230 nan 0.000 0.413 127 V N -1.904 117.776 119.914 -0.390 0.000 3.074 127 V HA 0.735 4.860 4.120 0.009 0.000 0.314 127 V C -2.344 173.414 176.094 -0.560 0.000 1.117 127 V CA -1.988 59.866 62.300 -0.743 0.000 1.014 127 V CB 1.521 32.668 31.823 -1.126 0.000 1.057 127 V HN 0.110 nan 8.190 nan 0.000 0.438 128 P HA 0.336 nan 4.420 nan 0.000 0.273 128 P C -1.052 175.972 177.300 -0.460 0.000 1.250 128 P CA -0.075 62.665 63.100 -0.600 0.000 0.793 128 P CB 0.407 31.562 31.700 -0.908 0.000 1.011 129 E N 0.061 120.105 120.200 -0.259 0.000 2.373 129 E HA 0.443 4.798 4.350 0.009 0.000 0.251 129 E C -2.705 173.880 176.600 -0.025 0.000 0.923 129 E CA -2.118 54.225 56.400 -0.095 0.000 0.798 129 E CB 0.479 30.140 29.700 -0.065 0.000 1.303 129 E HN 0.209 nan 8.360 nan 0.000 0.412 130 P HA 0.099 nan 4.420 nan 0.000 0.270 130 P C -2.348 174.992 177.300 0.067 0.000 1.227 130 P CA -1.028 62.135 63.100 0.105 0.000 0.788 130 P CB -0.069 31.753 31.700 0.204 0.000 0.926 131 P HA 0.262 nan 4.420 nan 0.000 0.283 131 P C -2.300 175.029 177.300 0.048 0.000 1.412 131 P CA -1.218 61.907 63.100 0.042 0.000 0.912 131 P CB -0.137 31.584 31.700 0.035 0.000 1.132 136 D N 4.689 125.122 120.400 0.054 0.000 2.570 136 D HA 0.044 4.689 4.640 0.009 0.000 0.243 136 D C -1.245 175.116 176.300 0.101 0.000 1.171 136 D CA -1.276 52.764 54.000 0.066 0.000 0.879 136 D CB 1.201 42.032 40.800 0.052 0.000 1.143 136 D HN 0.129 nan 8.370 nan 0.000 0.511 137 P HA -0.095 nan 4.420 nan 0.000 0.231 137 P C 0.151 177.544 177.300 0.155 0.000 1.158 137 P CA 0.773 64.008 63.100 0.226 0.000 0.763 137 P CB 0.524 32.392 31.700 0.280 0.000 0.805 138 D N -0.894 119.564 120.400 0.097 0.000 2.431 138 D HA -0.025 4.621 4.640 0.009 0.000 0.227 138 D C 2.036 178.379 176.300 0.071 0.000 1.030 138 D CA 0.818 54.857 54.000 0.065 0.000 0.897 138 D CB 0.045 40.867 40.800 0.037 0.000 1.058 138 D HN 0.217 nan 8.370 nan 0.000 0.500 139 S N 0.480 116.224 115.700 0.074 0.000 2.447 139 S HA -0.018 4.458 4.470 0.009 0.000 0.233 139 S C 2.058 176.718 174.600 0.100 0.000 1.006 139 S CA 0.465 58.707 58.200 0.070 0.000 0.957 139 S CB -0.286 62.948 63.200 0.058 0.000 0.773 139 S HN 0.193 nan 8.310 nan 0.000 0.507 140 I N 0.471 121.120 120.570 0.132 0.000 2.585 140 I HA 0.089 4.264 4.170 0.009 0.000 0.254 140 I C 2.205 178.479 176.117 0.262 0.000 1.129 140 I CA 0.573 61.984 61.300 0.186 0.000 1.455 140 I CB -0.165 37.934 38.000 0.164 0.000 1.111 140 I HN 0.235 nan 8.210 nan 0.000 0.433 141 L N 0.417 121.757 121.223 0.194 0.000 2.179 141 L HA -0.083 4.262 4.340 0.009 0.000 0.208 141 L C 2.719 179.705 176.870 0.193 0.000 1.096 141 L CA 0.885 55.838 54.840 0.189 0.000 0.779 141 L CB -0.425 41.687 42.059 0.088 0.000 0.922 141 L HN 0.180 nan 8.230 nan 0.000 0.443 142 R N 0.527 121.097 120.500 0.116 0.000 2.083 142 R HA -0.172 4.173 4.340 0.009 0.000 0.237 142 R C -0.501 175.830 176.300 0.052 0.000 1.137 142 R CA 1.755 57.886 56.100 0.050 0.000 0.951 142 R CB -1.033 29.281 30.300 0.024 0.000 0.851 142 R HN 0.216 nan 8.270 nan 0.000 0.434 143 P HA -0.124 nan 4.420 nan 0.000 0.218 143 P C 0.559 177.810 177.300 -0.082 0.000 1.148 143 P CA 1.367 64.437 63.100 -0.049 0.000 0.822 143 P CB -0.044 31.573 31.700 -0.137 0.000 0.784 144 F N -0.225 119.772 119.950 0.079 0.000 2.335 144 F HA 0.032 4.565 4.527 0.010 0.000 0.296 144 F C 2.408 178.326 175.800 0.196 0.000 1.091 144 F CA 0.991 59.085 58.000 0.158 0.000 1.399 144 F CB -0.472 38.621 39.000 0.156 0.000 1.067 144 F HN -0.194 nan 8.300 nan 0.000 0.520 145 K N 0.946 121.470 120.400 0.205 0.000 2.026 145 K HA -0.187 4.139 4.320 0.009 0.000 0.208 145 K C 1.795 178.289 176.600 -0.176 0.000 1.048 145 K CA 1.796 58.048 56.287 -0.057 0.000 0.929 145 K CB -0.153 32.201 32.500 -0.243 0.000 0.713 145 K HN 0.224 nan 8.250 nan 0.000 0.439 146 E N -0.397 119.752 120.200 -0.086 0.000 2.153 146 E HA -0.198 4.157 4.350 0.009 0.000 0.194 146 E C 1.796 178.456 176.600 0.101 0.000 0.988 146 E CA 1.125 57.511 56.400 -0.024 0.000 0.811 146 E CB -0.182 29.511 29.700 -0.012 0.000 0.746 146 E HN 0.319 nan 8.360 nan 0.000 0.466 147 F N 1.259 121.206 119.950 -0.005 0.000 2.102 147 F HA -0.203 4.330 4.527 0.010 0.000 0.298 147 F C 2.108 177.985 175.800 0.127 0.000 1.105 147 F CA 1.106 59.105 58.000 -0.001 0.000 1.239 147 F CB -0.134 38.822 39.000 -0.074 0.000 0.991 147 F HN 0.009 nan 8.300 nan 0.000 0.474 148 L N -0.581 120.899 121.223 0.429 0.000 2.056 148 L HA -0.206 4.140 4.340 0.009 0.000 0.207 148 L C 2.074 179.096 176.870 0.254 0.000 1.078 148 L CA 1.815 56.903 54.840 0.413 0.000 0.749 148 L CB -1.323 41.019 42.059 0.471 0.000 0.901 148 L HN 0.145 nan 8.230 nan 0.000 0.433 149 Y N -0.105 120.200 120.300 0.009 0.000 2.224 149 Y HA -0.146 4.409 4.550 0.009 0.000 0.289 149 Y C 2.838 178.685 175.900 -0.088 0.000 1.146 149 Y CA 1.156 59.226 58.100 -0.051 0.000 1.182 149 Y CB -1.160 37.293 38.460 -0.012 0.000 0.983 149 Y HN 0.256 nan 8.280 nan 0.000 0.524 150 S N -1.216 114.526 115.700 0.071 0.000 2.406 150 S HA -0.177 4.299 4.470 0.009 0.000 0.228 150 S C 1.806 176.343 174.600 -0.105 0.000 1.020 150 S CA 0.810 58.984 58.200 -0.044 0.000 0.965 150 S CB -0.569 62.580 63.200 -0.086 0.000 0.798 150 S HN 0.538 nan 8.310 nan 0.000 0.488 151 Y N 2.779 122.923 120.300 -0.260 0.000 2.133 151 Y HA -0.050 4.506 4.550 0.010 0.000 0.287 151 Y C 1.988 177.707 175.900 -0.302 0.000 1.134 151 Y CA 1.701 59.633 58.100 -0.281 0.000 1.133 151 Y CB -0.178 38.113 38.460 -0.281 0.000 0.987 151 Y HN 0.312 nan 8.280 nan 0.000 0.502 152 I N -3.092 117.332 120.570 -0.243 0.000 3.427 152 I HA 0.362 4.538 4.170 0.009 0.000 0.288 152 I C 1.304 177.248 176.117 -0.288 0.000 1.249 152 I CA 0.795 61.852 61.300 -0.404 0.000 1.421 152 I CB -0.307 37.263 38.000 -0.718 0.000 1.086 152 I HN 0.287 nan 8.210 nan 0.000 0.448 153 G N 2.458 111.124 108.800 -0.223 0.000 2.303 153 G HA2 -0.181 3.785 3.960 0.009 0.000 0.260 153 G HA3 -0.181 3.785 3.960 0.009 0.000 0.260 153 G C 0.006 174.800 174.900 -0.177 0.000 1.106 153 G CA 0.051 45.049 45.100 -0.170 0.000 0.900 153 G HN 0.269 nan 8.290 nan 0.000 0.495 154 V N 0.816 120.585 119.914 -0.241 0.000 2.720 154 V HA 0.172 4.298 4.120 0.009 0.000 0.307 154 V C -0.865 175.132 176.094 -0.162 0.000 1.071 154 V CA -0.268 61.850 62.300 -0.303 0.000 1.199 154 V CB 0.546 31.968 31.823 -0.668 0.000 0.900 154 V HN 0.378 nan 8.190 nan 0.000 0.494 155 P HA 0.151 nan 4.420 nan 0.000 0.267 155 P C 0.197 177.473 177.300 -0.040 0.000 1.205 155 P CA 0.035 63.091 63.100 -0.075 0.000 0.765 155 P CB 0.403 32.055 31.700 -0.080 0.000 0.828 156 K N 1.275 121.666 120.400 -0.015 0.000 2.352 156 K HA 0.176 4.501 4.320 0.009 0.000 0.194 156 K C 1.279 177.883 176.600 0.007 0.000 1.038 156 K CA 0.260 56.552 56.287 0.008 0.000 1.023 156 K CB 0.455 32.963 32.500 0.014 0.000 0.840 156 K HN 0.567 nan 8.250 nan 0.000 0.519 157 G N 0.447 109.246 108.800 -0.002 0.000 3.175 157 G HA2 0.043 4.008 3.960 0.009 0.000 0.153 157 G HA3 0.043 4.008 3.960 0.009 0.000 0.153 157 G C -0.158 174.740 174.900 -0.003 0.000 1.216 157 G CA -0.253 44.849 45.100 0.003 0.000 0.943 157 G HN -0.110 nan 8.290 nan 0.000 0.611 158 D N 0.136 120.540 120.400 0.006 0.000 2.338 158 D HA 0.083 4.728 4.640 0.009 0.000 0.208 158 D C 0.376 176.674 176.300 -0.004 0.000 0.997 158 D CA 0.321 54.325 54.000 0.006 0.000 0.880 158 D CB 0.502 41.322 40.800 0.033 0.000 0.980 158 D HN 0.423 nan 8.370 nan 0.000 0.509 159 E N 2.669 122.873 120.200 0.007 0.000 2.376 159 E HA 0.048 4.403 4.350 0.009 0.000 0.266 159 E C -1.887 174.686 176.600 -0.045 0.000 1.009 159 E CA -1.090 55.316 56.400 0.008 0.000 0.902 159 E CB 0.855 30.571 29.700 0.028 0.000 0.972 159 E HN 0.055 nan 8.360 nan 0.000 0.439 160 P HA 0.096 nan 4.420 nan 0.000 0.237 160 P C -0.763 176.485 177.300 -0.086 0.000 1.723 160 P CA 0.290 63.300 63.100 -0.149 0.000 0.882 160 P CB -0.036 31.504 31.700 -0.267 0.000 1.810 161 I N 1.015 121.558 120.570 -0.045 0.000 2.474 161 I HA 0.346 4.522 4.170 0.009 0.000 0.294 161 I C 0.623 176.731 176.117 -0.015 0.000 1.005 161 I CA -1.378 59.920 61.300 -0.003 0.000 1.113 161 I CB 2.040 40.058 38.000 0.030 0.000 1.289 161 I HN -0.061 nan 8.210 nan 0.000 0.436 162 L N 5.507 126.726 121.223 -0.006 0.000 2.360 162 L HA 0.502 4.848 4.340 0.009 0.000 0.271 162 L C 0.527 177.367 176.870 -0.051 0.000 1.057 162 L CA -0.649 54.147 54.840 -0.074 0.000 0.803 162 L CB 1.003 42.979 42.059 -0.140 0.000 1.207 162 L HN 0.371 nan 8.230 nan 0.000 0.445 163 K N 2.957 123.297 120.400 -0.101 0.000 2.753 163 K HA 0.371 4.696 4.320 0.009 0.000 0.185 163 K C -2.625 173.884 176.600 -0.152 0.000 1.071 163 K CA -1.880 54.365 56.287 -0.069 0.000 0.999 163 K CB 1.036 33.524 32.500 -0.021 0.000 1.244 163 K HN 0.157 nan 8.250 nan 0.000 0.594 164 P HA 0.008 nan 4.420 nan 0.000 0.268 164 P C -0.057 177.126 177.300 -0.195 0.000 1.205 164 P CA 0.053 62.991 63.100 -0.270 0.000 0.771 164 P CB 0.585 32.093 31.700 -0.319 0.000 0.858 165 S N 2.531 118.092 115.700 -0.232 0.000 2.576 165 S HA -0.011 4.464 4.470 0.009 0.000 0.272 165 S C 1.180 175.733 174.600 -0.079 0.000 1.352 165 S CA -0.495 57.615 58.200 -0.151 0.000 1.021 165 S CB 0.030 63.129 63.200 -0.169 0.000 0.887 165 S HN 0.391 nan 8.310 nan 0.000 0.542 166 L N 1.401 122.624 121.223 -0.000 0.000 2.079 166 L HA 0.023 4.369 4.340 0.009 0.000 0.210 166 L C 1.954 178.906 176.870 0.137 0.000 1.081 166 L CA 1.774 56.657 54.840 0.073 0.000 0.752 166 L CB -1.258 40.844 42.059 0.072 0.000 0.896 166 L HN 0.830 nan 8.230 nan 0.000 0.433 167 F N 0.488 120.409 119.950 -0.049 0.000 2.102 167 F HA -0.169 4.364 4.527 0.009 0.000 0.298 167 F C 2.322 178.088 175.800 -0.055 0.000 1.105 167 F CA 1.508 59.490 58.000 -0.029 0.000 1.239 167 F CB -0.817 38.160 39.000 -0.039 0.000 0.991 167 F HN 0.157 nan 8.300 nan 0.000 0.474 168 A N -0.880 121.701 122.820 -0.399 0.000 1.933 168 A HA -0.255 4.070 4.320 0.009 0.000 0.218 168 A C 2.150 179.680 177.584 -0.090 0.000 1.175 168 A CA 1.721 53.401 52.037 -0.594 0.000 0.628 168 A CB -1.621 16.747 19.000 -1.053 0.000 0.814 168 A HN 0.606 nan 8.150 nan 0.000 0.444 169 Y N 0.238 120.476 120.300 -0.102 0.000 2.163 169 Y HA -0.110 4.446 4.550 0.009 0.000 0.288 169 Y C 2.019 178.002 175.900 0.138 0.000 1.136 169 Y CA 1.734 59.870 58.100 0.061 0.000 1.147 169 Y CB -0.173 38.321 38.460 0.056 0.000 0.987 169 Y HN 0.257 nan 8.280 nan 0.000 0.509 170 I N -1.192 119.471 120.570 0.154 0.000 2.315 170 I HA -0.277 3.899 4.170 0.009 0.000 0.248 170 I C 2.107 178.201 176.117 -0.038 0.000 1.117 170 I CA 0.983 62.323 61.300 0.067 0.000 1.404 170 I CB -0.416 37.638 38.000 0.089 0.000 1.071 170 I HN 0.059 nan 8.210 nan 0.000 0.419 171 V N 0.509 120.342 119.914 -0.136 0.000 2.515 171 V HA -0.276 3.850 4.120 0.009 0.000 0.250 171 V C 2.235 178.371 176.094 0.070 0.000 1.058 171 V CA 1.646 63.873 62.300 -0.121 0.000 1.064 171 V CB -0.674 30.980 31.823 -0.282 0.000 0.675 171 V HN 0.376 nan 8.190 nan 0.000 0.461 172 F N 0.468 120.414 119.950 -0.006 0.000 2.134 172 F HA -0.145 4.388 4.527 0.009 0.000 0.299 172 F C 2.008 177.835 175.800 0.045 0.000 1.097 172 F CA 1.509 59.551 58.000 0.070 0.000 1.264 172 F CB -0.351 38.697 39.000 0.079 0.000 1.001 172 F HN 0.032 nan 8.300 nan 0.000 0.479 173 L N -0.085 121.061 121.223 -0.129 0.000 2.012 173 L HA -0.271 4.075 4.340 0.009 0.000 0.210 173 L C 2.516 179.296 176.870 -0.151 0.000 1.073 173 L CA 1.620 56.325 54.840 -0.225 0.000 0.748 173 L CB -0.655 41.316 42.059 -0.145 0.000 0.891 173 L HN 0.170 nan 8.230 nan 0.000 0.431 174 I N -0.925 119.607 120.570 -0.062 0.000 2.226 174 I HA -0.292 3.884 4.170 0.009 0.000 0.245 174 I C 2.452 178.622 176.117 0.089 0.000 1.100 174 I CA 1.521 62.835 61.300 0.022 0.000 1.374 174 I CB -0.511 37.499 38.000 0.016 0.000 1.057 174 I HN 0.268 nan 8.210 nan 0.000 0.413 175 T N 0.737 115.315 114.554 0.039 0.000 2.746 175 T HA -0.156 4.199 4.350 0.009 0.000 0.267 175 T C 1.962 176.659 174.700 -0.005 0.000 1.039 175 T CA 1.222 63.383 62.100 0.102 0.000 1.142 175 T CB -0.103 68.865 68.868 0.167 0.000 0.866 175 T HN 0.157 nan 8.240 nan 0.000 0.444 176 M N 0.455 119.944 119.600 -0.185 0.000 2.117 176 M HA 0.018 4.504 4.480 0.009 0.000 0.262 176 M C 2.114 178.359 176.300 -0.092 0.000 1.065 176 M CA 1.298 56.476 55.300 -0.203 0.000 1.114 176 M CB -1.259 31.126 32.600 -0.359 0.000 1.361 176 M HN 0.283 nan 8.290 nan 0.000 0.408 177 F N 1.208 121.056 119.950 -0.171 0.000 2.134 177 F HA -0.178 4.354 4.527 0.009 0.000 0.299 177 F C 2.115 177.863 175.800 -0.086 0.000 1.097 177 F CA 1.457 59.381 58.000 -0.125 0.000 1.264 177 F CB -0.299 38.638 39.000 -0.106 0.000 1.001 177 F HN 0.008 nan 8.300 nan 0.000 0.479 178 I N 0.305 120.845 120.570 -0.050 0.000 2.252 178 I HA -0.318 3.858 4.170 0.009 0.000 0.245 178 I C 2.251 178.212 176.117 -0.260 0.000 1.102 178 I CA 1.245 62.464 61.300 -0.135 0.000 1.385 178 I CB -0.684 37.380 38.000 0.106 0.000 1.064 178 I HN 0.218 nan 8.210 nan 0.000 0.414 179 N N 0.612 119.198 118.700 -0.190 0.000 2.104 179 N HA -0.153 4.592 4.740 0.009 0.000 0.190 179 N C 1.969 177.337 175.510 -0.237 0.000 1.024 179 N CA 1.392 54.317 53.050 -0.209 0.000 0.853 179 N CB -0.112 38.301 38.487 -0.123 0.000 1.008 179 N HN 0.164 nan 8.380 nan 0.000 0.424 180 V N 1.652 121.414 119.914 -0.253 0.000 2.427 180 V HA -0.203 3.922 4.120 0.009 0.000 0.248 180 V C 2.624 178.522 176.094 -0.326 0.000 1.051 180 V CA 1.934 64.082 62.300 -0.253 0.000 1.048 180 V CB -0.637 31.044 31.823 -0.236 0.000 0.666 180 V HN 0.445 nan 8.190 nan 0.000 0.456 181 S N -0.009 115.399 115.700 -0.487 0.000 2.399 181 S HA -0.158 4.318 4.470 0.009 0.000 0.231 181 S C 1.889 176.305 174.600 -0.305 0.000 1.022 181 S CA 1.765 59.686 58.200 -0.464 0.000 0.983 181 S CB -0.560 62.274 63.200 -0.610 0.000 0.803 181 S HN 0.566 nan 8.310 nan 0.000 0.480 182 I N 0.912 121.292 120.570 -0.316 0.000 2.339 182 I HA -0.007 4.169 4.170 0.009 0.000 0.245 182 I C 2.421 178.413 176.117 -0.208 0.000 1.096 182 I CA 0.816 61.949 61.300 -0.279 0.000 1.408 182 I CB -0.325 37.429 38.000 -0.410 0.000 1.092 182 I HN 0.240 nan 8.210 nan 0.000 0.423 183 L N 0.206 121.311 121.223 -0.197 0.000 2.083 183 L HA -0.194 4.151 4.340 0.009 0.000 0.209 183 L C 2.532 179.314 176.870 -0.147 0.000 1.083 183 L CA 1.114 55.864 54.840 -0.151 0.000 0.752 183 L CB -0.344 41.646 42.059 -0.115 0.000 0.899 183 L HN 0.231 nan 8.230 nan 0.000 0.433 184 I N -0.214 120.264 120.570 -0.153 0.000 2.567 184 I HA -0.235 3.941 4.170 0.009 0.000 0.257 184 I C 2.439 178.476 176.117 -0.134 0.000 1.184 184 I CA 1.374 62.593 61.300 -0.135 0.000 1.451 184 I CB -0.173 37.742 38.000 -0.141 0.000 1.089 184 I HN 0.107 nan 8.210 nan 0.000 0.441 185 R N 0.497 120.912 120.500 -0.142 0.000 2.297 185 R HA 0.290 4.636 4.340 0.009 0.000 0.197 185 R C 1.092 177.298 176.300 -0.157 0.000 0.943 185 R CA 0.541 56.563 56.100 -0.130 0.000 1.038 185 R CB -0.137 30.096 30.300 -0.111 0.000 0.957 185 R HN 0.498 nan 8.270 nan 0.000 0.484 186 G N 0.896 109.582 108.800 -0.190 0.000 2.587 186 G HA2 -0.238 3.728 3.960 0.009 0.000 0.212 186 G HA3 -0.238 3.728 3.960 0.009 0.000 0.212 186 G C 0.394 175.087 174.900 -0.346 0.000 1.327 186 G CA -0.508 44.433 45.100 -0.265 0.000 0.898 186 G HN -0.047 nan 8.290 nan 0.000 0.551 187 I N 1.312 121.562 120.570 -0.533 0.000 2.141 187 I HA -0.071 4.104 4.170 0.009 0.000 0.236 187 I C 3.234 179.047 176.117 -0.507 0.000 1.071 187 I CA 2.942 63.773 61.300 -0.783 0.000 1.345 187 I CB -1.736 35.462 38.000 -1.337 0.000 1.066 187 I HN 0.893 nan 8.210 nan 0.000 0.406 188 S N 0.886 116.362 115.700 -0.375 0.000 2.362 188 S HA -0.081 4.394 4.470 0.009 0.000 0.221 188 S C 1.849 176.405 174.600 -0.074 0.000 1.032 188 S CA 0.620 58.730 58.200 -0.150 0.000 0.973 188 S CB -0.380 62.753 63.200 -0.111 0.000 0.849 188 S HN 0.380 nan 8.310 nan 0.000 0.465 189 K N 1.047 121.384 120.400 -0.105 0.000 2.418 189 K HA 0.213 4.538 4.320 0.009 0.000 0.195 189 K C 1.866 178.433 176.600 -0.055 0.000 1.035 189 K CA 0.626 56.875 56.287 -0.063 0.000 1.003 189 K CB -0.029 32.429 32.500 -0.071 0.000 0.793 189 K HN 0.525 nan 8.250 nan 0.000 0.494 190 G N 1.060 109.807 108.800 -0.090 0.000 2.598 190 G HA2 0.007 3.972 3.960 0.009 0.000 0.225 190 G HA3 0.007 3.972 3.960 0.009 0.000 0.225 190 G C 1.327 176.215 174.900 -0.021 0.000 1.631 190 G CA -0.252 44.799 45.100 -0.081 0.000 0.821 190 G HN -0.025 nan 8.290 nan 0.000 0.610 191 I N 0.895 121.437 120.570 -0.047 0.000 2.179 191 I HA -0.111 4.065 4.170 0.009 0.000 0.242 191 I C 2.665 178.880 176.117 0.163 0.000 1.088 191 I CA 1.590 62.924 61.300 0.056 0.000 1.357 191 I CB -0.158 37.845 38.000 0.006 0.000 1.051 191 I HN 0.353 nan 8.210 nan 0.000 0.409 192 E N 1.293 121.606 120.200 0.188 0.000 2.051 192 E HA -0.214 4.141 4.350 0.009 0.000 0.192 192 E C 2.430 179.101 176.600 0.117 0.000 0.991 192 E CA 1.058 57.594 56.400 0.226 0.000 0.799 192 E CB 0.082 29.967 29.700 0.309 0.000 0.748 192 E HN 0.345 nan 8.360 nan 0.000 0.449 193 R N -0.431 120.125 120.500 0.094 0.000 2.096 193 R HA -0.139 4.207 4.340 0.009 0.000 0.235 193 R C 2.352 178.705 176.300 0.088 0.000 1.127 193 R CA 1.280 57.425 56.100 0.074 0.000 0.968 193 R CB -0.486 29.851 30.300 0.062 0.000 0.861 193 R HN 0.264 nan 8.270 nan 0.000 0.440 194 F N 1.622 121.552 119.950 -0.034 0.000 2.146 194 F HA -0.092 4.440 4.527 0.009 0.000 0.298 194 F C 2.334 178.088 175.800 -0.078 0.000 1.096 194 F CA 1.110 59.066 58.000 -0.074 0.000 1.275 194 F CB -0.365 38.563 39.000 -0.120 0.000 1.008 194 F HN -0.027 nan 8.300 nan 0.000 0.480 195 A N 0.283 123.090 122.820 -0.022 0.000 1.940 195 A HA -0.246 4.079 4.320 0.009 0.000 0.219 195 A C 2.246 179.748 177.584 -0.136 0.000 1.176 195 A CA 1.942 53.921 52.037 -0.097 0.000 0.631 195 A CB -0.730 18.272 19.000 0.004 0.000 0.814 195 A HN 0.461 nan 8.150 nan 0.000 0.446 196 K N -0.858 119.492 120.400 -0.084 0.000 2.283 196 K HA 0.038 4.364 4.320 0.009 0.000 0.202 196 K C 1.522 178.075 176.600 -0.078 0.000 1.048 196 K CA 1.170 57.422 56.287 -0.058 0.000 0.948 196 K CB -0.191 32.299 32.500 -0.017 0.000 0.742 196 K HN 0.608 nan 8.250 nan 0.000 0.458 197 I N -0.249 120.225 120.570 -0.160 0.000 2.628 197 I HA -0.061 4.114 4.170 0.009 0.000 0.255 197 I C 2.324 178.332 176.117 -0.182 0.000 1.119 197 I CA 0.399 61.613 61.300 -0.143 0.000 1.448 197 I CB -0.094 37.816 38.000 -0.150 0.000 1.133 197 I HN 0.003 nan 8.210 nan 0.000 0.438 198 A N 1.077 123.597 122.820 -0.499 0.000 1.897 198 A HA -0.113 4.213 4.320 0.009 0.000 0.215 198 A C 2.314 179.861 177.584 -0.062 0.000 1.181 198 A CA 1.181 52.933 52.037 -0.475 0.000 0.620 198 A CB -0.308 17.988 19.000 -1.173 0.000 0.821 198 A HN 0.192 nan 8.150 nan 0.000 0.443 199 M N -0.441 119.111 119.600 -0.080 0.000 2.086 199 M HA -0.048 4.437 4.480 0.009 0.000 0.261 199 M C -0.399 175.967 176.300 0.110 0.000 1.067 199 M CA 1.409 56.727 55.300 0.029 0.000 1.116 199 M CB -2.545 30.052 32.600 -0.004 0.000 1.348 199 M HN 0.129 nan 8.290 nan 0.000 0.407 200 P HA -0.078 nan 4.420 nan 0.000 0.215 200 P C 1.561 178.980 177.300 0.198 0.000 1.153 200 P CA 1.476 64.663 63.100 0.145 0.000 0.853 200 P CB -0.306 31.446 31.700 0.086 0.000 0.788 201 T N 0.038 114.696 114.554 0.174 0.000 2.684 201 T HA -0.160 4.196 4.350 0.009 0.000 0.267 201 T C 1.749 176.558 174.700 0.181 0.000 1.036 201 T CA 1.012 63.223 62.100 0.186 0.000 1.148 201 T CB -1.007 68.028 68.868 0.279 0.000 0.863 201 T HN 0.054 nan 8.240 nan 0.000 0.436 202 L N -0.029 121.329 121.223 0.225 0.000 2.012 202 L HA -0.080 4.266 4.340 0.009 0.000 0.210 202 L C 2.255 179.243 176.870 0.197 0.000 1.073 202 L CA 1.578 56.532 54.840 0.189 0.000 0.748 202 L CB -0.345 41.840 42.059 0.211 0.000 0.891 202 L HN 0.227 nan 8.230 nan 0.000 0.431 203 F N 0.452 120.462 119.950 0.100 0.000 2.134 203 F HA -0.234 4.299 4.527 0.009 0.000 0.299 203 F C 2.097 177.954 175.800 0.095 0.000 1.097 203 F CA 1.737 59.798 58.000 0.102 0.000 1.264 203 F CB -0.226 38.821 39.000 0.078 0.000 1.001 203 F HN -0.002 nan 8.300 nan 0.000 0.479 204 I N -0.141 120.444 120.570 0.024 0.000 2.202 204 I HA -0.318 3.858 4.170 0.009 0.000 0.242 204 I C 2.395 178.480 176.117 -0.054 0.000 1.091 204 I CA 1.195 62.452 61.300 -0.072 0.000 1.368 204 I CB -0.573 37.450 38.000 0.037 0.000 1.058 204 I HN 0.168 nan 8.210 nan 0.000 0.410 205 L N 0.523 121.739 121.223 -0.012 0.000 2.012 205 L HA -0.232 4.113 4.340 0.009 0.000 0.210 205 L C 2.880 179.770 176.870 0.033 0.000 1.073 205 L CA 1.507 56.350 54.840 0.004 0.000 0.748 205 L CB -0.787 41.254 42.059 -0.031 0.000 0.891 205 L HN 0.258 nan 8.230 nan 0.000 0.431 206 A N -0.363 122.445 122.820 -0.020 0.000 1.877 206 A HA -0.154 4.171 4.320 0.009 0.000 0.216 206 A C 2.339 179.918 177.584 -0.009 0.000 1.186 206 A CA 1.812 53.859 52.037 0.017 0.000 0.620 206 A CB -0.883 18.187 19.000 0.118 0.000 0.822 206 A HN 0.185 nan 8.150 nan 0.000 0.443 207 V N -1.145 118.673 119.914 -0.162 0.000 2.287 207 V HA -0.262 3.864 4.120 0.009 0.000 0.248 207 V C 2.291 178.359 176.094 -0.042 0.000 1.053 207 V CA 2.240 64.428 62.300 -0.187 0.000 1.027 207 V CB -0.951 30.626 31.823 -0.410 0.000 0.646 207 V HN 0.632 nan 8.190 nan 0.000 0.447 208 F N 0.294 120.173 119.950 -0.118 0.000 2.095 208 F HA -0.206 4.328 4.527 0.011 0.000 0.298 208 F C 2.044 177.818 175.800 -0.043 0.000 1.104 208 F CA 1.735 59.695 58.000 -0.067 0.000 1.232 208 F CB -0.284 38.682 39.000 -0.056 0.000 0.987 208 F HN 0.033 nan 8.300 nan 0.000 0.475 209 L N -0.843 120.368 121.223 -0.021 0.000 2.046 209 L HA -0.215 4.130 4.340 0.009 0.000 0.208 209 L C 2.366 179.182 176.870 -0.089 0.000 1.077 209 L CA 0.935 55.724 54.840 -0.085 0.000 0.747 209 L CB -0.786 41.325 42.059 0.087 0.000 0.896 209 L HN 0.009 nan 8.230 nan 0.000 0.432 210 V N 0.212 120.107 119.914 -0.031 0.000 2.295 210 V HA -0.315 3.811 4.120 0.009 0.000 0.246 210 V C 2.323 178.401 176.094 -0.027 0.000 1.049 210 V CA 1.926 64.224 62.300 -0.003 0.000 1.024 210 V CB -0.361 31.461 31.823 -0.001 0.000 0.648 210 V HN 0.315 nan 8.190 nan 0.000 0.447 211 I N -0.203 120.305 120.570 -0.102 0.000 2.163 211 I HA -0.287 3.889 4.170 0.009 0.000 0.243 211 I C 2.754 178.810 176.117 -0.103 0.000 1.085 211 I CA 1.876 63.124 61.300 -0.086 0.000 1.347 211 I CB -0.420 37.497 38.000 -0.139 0.000 1.044 211 I HN 0.243 nan 8.210 nan 0.000 0.408 212 R N 1.040 121.354 120.500 -0.310 0.000 2.081 212 R HA -0.127 4.219 4.340 0.009 0.000 0.235 212 R C 2.045 178.275 176.300 -0.116 0.000 1.131 212 R CA 1.673 57.588 56.100 -0.308 0.000 0.960 212 R CB -0.909 29.071 30.300 -0.533 0.000 0.856 212 R HN 0.172 nan 8.270 nan 0.000 0.436 213 V N 0.463 120.351 119.914 -0.043 0.000 2.490 213 V HA -0.166 3.960 4.120 0.009 0.000 0.250 213 V C 1.921 178.078 176.094 0.105 0.000 1.061 213 V CA 1.669 64.004 62.300 0.058 0.000 1.064 213 V CB -0.695 31.177 31.823 0.081 0.000 0.670 213 V HN 0.302 nan 8.190 nan 0.000 0.461 214 F N 0.089 120.016 119.950 -0.038 0.000 2.546 214 F HA -0.035 4.497 4.527 0.009 0.000 0.298 214 F C 1.676 177.462 175.800 -0.023 0.000 1.120 214 F CA 1.175 59.163 58.000 -0.020 0.000 1.456 214 F CB -0.114 38.870 39.000 -0.027 0.000 1.088 214 F HN 0.084 nan 8.300 nan 0.000 0.572 215 L N -0.194 120.990 121.223 -0.064 0.000 2.567 215 L HA 0.091 4.437 4.340 0.009 0.000 0.225 215 L C 0.437 177.241 176.870 -0.109 0.000 1.119 215 L CA -0.127 54.635 54.840 -0.129 0.000 0.871 215 L CB -0.281 41.739 42.059 -0.066 0.000 1.036 215 L HN -0.110 nan 8.230 nan 0.000 0.459 216 L N 1.382 122.571 121.223 -0.057 0.000 2.410 216 L HA 0.128 4.474 4.340 0.009 0.000 0.273 216 L C 0.162 176.982 176.870 -0.082 0.000 1.144 216 L CA 0.492 55.337 54.840 0.008 0.000 0.863 216 L CB 0.521 42.669 42.059 0.148 0.000 1.140 216 L HN 0.145 nan 8.230 nan 0.000 0.463 217 E N 2.763 122.887 120.200 -0.127 0.000 2.291 217 E HA 0.464 4.820 4.350 0.009 0.000 0.276 217 E C -1.092 175.348 176.600 -0.268 0.000 0.896 217 E CA -0.570 55.721 56.400 -0.181 0.000 0.774 217 E CB 1.943 31.548 29.700 -0.158 0.000 1.227 217 E HN 0.608 nan 8.360 nan 0.000 0.413 218 T N 0.553 114.912 114.554 -0.325 0.000 2.864 218 T HA 0.495 4.850 4.350 0.009 0.000 0.289 218 T C -2.146 172.395 174.700 -0.264 0.000 1.082 218 T CA -1.679 60.180 62.100 -0.402 0.000 1.009 218 T CB 1.317 69.751 68.868 -0.722 0.000 1.234 218 T HN 0.195 nan 8.240 nan 0.000 0.526 219 P HA 0.023 nan 4.420 nan 0.000 0.221 219 P C 0.941 178.157 177.300 -0.140 0.000 1.145 219 P CA 0.792 63.798 63.100 -0.157 0.000 0.795 219 P CB 0.008 31.626 31.700 -0.137 0.000 0.775 220 N N -1.243 117.352 118.700 -0.175 0.000 2.373 220 N HA 0.152 4.897 4.740 0.009 0.000 0.181 220 N C 1.133 176.578 175.510 -0.107 0.000 1.082 220 N CA 1.024 53.998 53.050 -0.127 0.000 0.885 220 N CB 0.632 39.042 38.487 -0.128 0.000 0.977 220 N HN 0.163 nan 8.380 nan 0.000 0.462 221 G N -0.697 108.024 108.800 -0.132 0.000 2.352 221 G HA2 0.163 4.129 3.960 0.009 0.000 0.283 221 G HA3 0.163 4.129 3.960 0.009 0.000 0.283 221 G C -1.217 173.616 174.900 -0.111 0.000 1.308 221 G CA -0.234 44.808 45.100 -0.097 0.000 0.892 221 G HN 0.189 nan 8.290 nan 0.000 0.504 222 T N -2.872 111.636 114.554 -0.076 0.000 2.907 222 T HA 0.754 5.110 4.350 0.009 0.000 0.290 222 T C 1.546 176.225 174.700 -0.034 0.000 1.066 222 T CA 0.633 62.682 62.100 -0.085 0.000 1.012 222 T CB 1.597 70.396 68.868 -0.115 0.000 1.184 222 T HN 2.102 nan 8.240 nan 0.000 0.522 223 A N 0.576 123.374 122.820 -0.035 0.000 2.024 223 A HA 0.226 4.551 4.320 0.009 0.000 0.220 223 A C 2.510 180.163 177.584 0.114 0.000 1.164 223 A CA 1.913 53.982 52.037 0.053 0.000 0.643 223 A CB -1.490 17.562 19.000 0.086 0.000 0.806 223 A HN 1.333 nan 8.150 nan 0.000 0.451 224 A N 0.161 123.022 122.820 0.069 0.000 1.933 224 A HA -0.196 4.130 4.320 0.009 0.000 0.218 224 A C 1.720 179.380 177.584 0.126 0.000 1.175 224 A CA 1.771 53.892 52.037 0.139 0.000 0.628 224 A CB -0.493 18.555 19.000 0.080 0.000 0.814 224 A HN 0.487 nan 8.150 nan 0.000 0.444 225 D N -0.277 120.170 120.400 0.079 0.000 2.178 225 D HA -0.092 4.554 4.640 0.009 0.000 0.201 225 D C 2.032 178.410 176.300 0.129 0.000 0.980 225 D CA 1.399 55.449 54.000 0.083 0.000 0.842 225 D CB -0.582 40.239 40.800 0.035 0.000 0.948 225 D HN 0.465 nan 8.370 nan 0.000 0.472 226 G N 0.862 109.739 108.800 0.129 0.000 2.402 226 G HA2 -0.163 3.803 3.960 0.009 0.000 0.216 226 G HA3 -0.163 3.803 3.960 0.009 0.000 0.216 226 G C 1.821 176.861 174.900 0.233 0.000 1.162 226 G CA 0.135 45.334 45.100 0.165 0.000 0.777 226 G HN 0.236 nan 8.290 nan 0.000 0.539 227 L N 0.604 121.969 121.223 0.237 0.000 2.083 227 L HA -0.079 4.267 4.340 0.009 0.000 0.209 227 L C 2.681 179.743 176.870 0.319 0.000 1.083 227 L CA 0.842 55.870 54.840 0.314 0.000 0.752 227 L CB -0.435 41.804 42.059 0.299 0.000 0.899 227 L HN 0.142 nan 8.230 nan 0.000 0.433 228 N N 0.068 118.911 118.700 0.238 0.000 2.188 228 N HA -0.211 4.535 4.740 0.009 0.000 0.184 228 N C 1.739 177.356 175.510 0.178 0.000 1.018 228 N CA 1.253 54.423 53.050 0.199 0.000 0.858 228 N CB -0.400 38.179 38.487 0.153 0.000 0.989 228 N HN 0.245 nan 8.380 nan 0.000 0.426 229 F N 1.521 121.497 119.950 0.044 0.000 2.171 229 F HA -0.076 4.454 4.527 0.006 0.000 0.300 229 F C 1.981 177.743 175.800 -0.064 0.000 1.090 229 F CA 0.711 58.704 58.000 -0.012 0.000 1.293 229 F CB -0.203 38.780 39.000 -0.029 0.000 1.013 229 F HN -0.041 nan 8.300 nan 0.000 0.486 230 L N -1.279 119.817 121.223 -0.212 0.000 2.209 230 L HA 0.018 4.364 4.340 0.009 0.000 0.207 230 L C 0.794 177.317 176.870 -0.577 0.000 1.094 230 L CA 1.558 56.092 54.840 -0.510 0.000 0.790 230 L CB -0.704 41.112 42.059 -0.405 0.000 0.932 230 L HN 0.207 nan 8.230 nan 0.000 0.447 231 W N -0.590 120.648 121.300 -0.103 0.000 2.926 231 W HA 0.350 5.014 4.660 0.006 0.000 0.419 231 W C 0.131 176.599 176.519 -0.085 0.000 0.993 231 W CA -0.396 56.904 57.345 -0.075 0.000 2.025 231 W CB 0.250 29.695 29.460 -0.024 0.000 1.152 231 W HN -0.195 nan 8.180 nan 0.000 0.659 232 T N 2.186 116.748 114.554 0.012 0.000 2.770 232 T HA 0.271 4.627 4.350 0.009 0.000 0.297 232 T C -2.367 172.255 174.700 -0.131 0.000 0.997 232 T CA -1.551 60.538 62.100 -0.018 0.000 0.949 232 T CB 1.204 70.073 68.868 0.002 0.000 0.941 232 T HN -0.417 nan 8.240 nan 0.000 0.457 233 P HA 0.191 nan 4.420 nan 0.000 0.269 233 P C -0.470 176.612 177.300 -0.363 0.000 1.215 233 P CA -0.229 62.648 63.100 -0.372 0.000 0.780 233 P CB 0.541 31.891 31.700 -0.585 0.000 0.898 234 D N 2.124 122.283 120.400 -0.402 0.000 2.363 234 D HA 0.133 4.779 4.640 0.009 0.000 0.258 234 D C 0.186 176.377 176.300 -0.181 0.000 1.259 234 D CA -0.369 53.503 54.000 -0.215 0.000 0.921 234 D CB 0.127 40.853 40.800 -0.124 0.000 1.201 234 D HN 0.073 nan 8.370 nan 0.000 0.524 235 F N 1.203 121.162 119.950 0.016 0.000 2.494 235 F HA -0.032 4.498 4.527 0.006 0.000 0.298 235 F C 2.107 177.934 175.800 0.046 0.000 1.106 235 F CA 0.753 58.773 58.000 0.034 0.000 1.452 235 F CB -0.010 39.016 39.000 0.043 0.000 1.085 235 F HN 0.340 nan 8.300 nan 0.000 0.569 236 E N -0.131 120.173 120.200 0.173 0.000 2.511 236 E HA -0.089 4.266 4.350 0.009 0.000 0.196 236 E C 1.638 178.295 176.600 0.096 0.000 1.066 236 E CA 0.270 56.746 56.400 0.126 0.000 0.871 236 E CB 0.033 29.789 29.700 0.093 0.000 0.863 236 E HN 0.267 nan 8.360 nan 0.000 0.520 237 K N 0.025 120.466 120.400 0.069 0.000 2.354 237 K HA 0.141 4.467 4.320 0.009 0.000 0.194 237 K C 1.695 178.345 176.600 0.084 0.000 1.038 237 K CA 0.005 56.317 56.287 0.042 0.000 1.052 237 K CB 0.387 32.866 32.500 -0.035 0.000 0.861 237 K HN 0.172 nan 8.250 nan 0.000 0.535 238 L N 0.827 122.138 121.223 0.147 0.000 2.551 238 L HA -0.164 4.182 4.340 0.009 0.000 0.230 238 L C 1.285 178.447 176.870 0.488 0.000 1.163 238 L CA 1.068 56.096 54.840 0.313 0.000 0.826 238 L CB -0.152 42.123 42.059 0.360 0.000 0.943 238 L HN -0.024 nan 8.230 nan 0.000 0.452 239 K N -1.223 119.359 120.400 0.303 0.000 2.352 239 K HA 0.055 4.381 4.320 0.009 0.000 0.194 239 K C 0.432 177.178 176.600 0.244 0.000 1.038 239 K CA 0.059 56.494 56.287 0.247 0.000 1.023 239 K CB 0.045 32.639 32.500 0.156 0.000 0.840 239 K HN -0.025 nan 8.250 nan 0.000 0.519 240 D N 1.120 121.665 120.400 0.242 0.000 2.338 240 D HA 0.049 4.695 4.640 0.009 0.000 0.255 240 D C -1.883 174.608 176.300 0.317 0.000 1.237 240 D CA -1.997 52.126 54.000 0.205 0.000 0.883 240 D CB 1.437 42.312 40.800 0.124 0.000 1.087 240 D HN -0.103 nan 8.370 nan 0.000 0.485 241 P HA -0.044 nan 4.420 nan 0.000 0.217 241 P C 1.352 178.775 177.300 0.205 0.000 1.150 241 P CA 0.866 64.128 63.100 0.271 0.000 0.832 241 P CB 0.197 32.013 31.700 0.192 0.000 0.787 242 G N -0.076 108.816 108.800 0.154 0.000 2.469 242 G HA2 -0.252 3.714 3.960 0.009 0.000 0.220 242 G HA3 -0.252 3.714 3.960 0.009 0.000 0.220 242 G C 1.591 176.468 174.900 -0.039 0.000 1.136 242 G CA 0.866 45.964 45.100 -0.004 0.000 0.759 242 G HN 0.176 nan 8.290 nan 0.000 0.562 243 V N -0.634 119.296 119.914 0.026 0.000 2.427 243 V HA -0.134 3.991 4.120 0.009 0.000 0.248 243 V C 2.414 178.456 176.094 -0.087 0.000 1.051 243 V CA 1.589 63.868 62.300 -0.035 0.000 1.048 243 V CB -0.622 31.128 31.823 -0.121 0.000 0.666 243 V HN 0.572 nan 8.190 nan 0.000 0.456 244 W N -0.126 121.160 121.300 -0.023 0.000 2.381 244 W HA -0.053 4.613 4.660 0.010 0.000 0.301 244 W C 2.331 178.813 176.519 -0.061 0.000 1.205 244 W CA 0.960 58.291 57.345 -0.022 0.000 1.285 244 W CB -0.425 29.021 29.460 -0.023 0.000 1.133 244 W HN 0.140 nan 8.180 nan 0.000 0.521 245 I N 0.079 120.676 120.570 0.046 0.000 2.226 245 I HA -0.322 3.854 4.170 0.009 0.000 0.245 245 I C 2.554 178.570 176.117 -0.169 0.000 1.100 245 I CA 1.406 62.580 61.300 -0.209 0.000 1.374 245 I CB -0.991 36.626 38.000 -0.638 0.000 1.057 245 I HN -0.026 nan 8.210 nan 0.000 0.413 246 A N 0.793 123.560 122.820 -0.088 0.000 1.902 246 A HA -0.147 4.179 4.320 0.009 0.000 0.217 246 A C 2.556 180.325 177.584 0.308 0.000 1.181 246 A CA 1.850 53.929 52.037 0.069 0.000 0.623 246 A CB -0.804 18.266 19.000 0.117 0.000 0.818 246 A HN 0.428 nan 8.150 nan 0.000 0.443 247 A N -0.619 122.337 122.820 0.226 0.000 1.877 247 A HA 0.005 4.331 4.320 0.009 0.000 0.216 247 A C 2.225 179.950 177.584 0.236 0.000 1.186 247 A CA 1.811 53.885 52.037 0.062 0.000 0.620 247 A CB -0.921 17.868 19.000 -0.351 0.000 0.822 247 A HN 0.398 nan 8.150 nan 0.000 0.443 248 V N -0.070 120.007 119.914 0.273 0.000 2.427 248 V HA -0.145 3.980 4.120 0.009 0.000 0.248 248 V C 2.800 179.193 176.094 0.498 0.000 1.051 248 V CA 1.812 64.351 62.300 0.399 0.000 1.048 248 V CB -1.412 30.671 31.823 0.433 0.000 0.666 248 V HN 0.612 nan 8.190 nan 0.000 0.456 249 G N -0.649 108.378 108.800 0.377 0.000 2.418 249 G HA2 -0.354 3.612 3.960 0.009 0.000 0.217 249 G HA3 -0.354 3.612 3.960 0.009 0.000 0.217 249 G C 1.531 176.723 174.900 0.487 0.000 1.158 249 G CA 1.129 46.471 45.100 0.402 0.000 0.771 249 G HN 0.513 nan 8.290 nan 0.000 0.545 250 Q N 0.143 120.221 119.800 0.463 0.000 2.119 250 Q HA -0.011 4.335 4.340 0.009 0.000 0.201 250 Q C 2.426 178.753 176.000 0.545 0.000 0.972 250 Q CA 0.856 56.976 55.803 0.528 0.000 0.847 250 Q CB -0.302 28.828 28.738 0.653 0.000 0.903 250 Q HN 0.368 nan 8.270 nan 0.000 0.433 251 I N 0.069 120.898 120.570 0.432 0.000 2.163 251 I HA -0.246 3.930 4.170 0.009 0.000 0.243 251 I C 1.932 178.212 176.117 0.272 0.000 1.085 251 I CA 1.378 62.823 61.300 0.241 0.000 1.347 251 I CB -1.177 36.868 38.000 0.076 0.000 1.044 251 I HN 0.218 nan 8.210 nan 0.000 0.408 252 F N 0.353 120.483 119.950 0.300 0.000 2.069 252 F HA -0.292 4.241 4.527 0.009 0.000 0.298 252 F C 2.563 178.637 175.800 0.456 0.000 1.113 252 F CA 1.978 60.175 58.000 0.327 0.000 1.214 252 F CB -0.891 38.292 39.000 0.305 0.000 0.978 252 F HN -0.067 nan 8.300 nan 0.000 0.474 253 F N 0.128 120.436 119.950 0.597 0.000 2.095 253 F HA -0.267 4.266 4.527 0.010 0.000 0.298 253 F C 2.714 178.682 175.800 0.280 0.000 1.104 253 F CA 2.165 60.491 58.000 0.543 0.000 1.232 253 F CB -0.851 38.415 39.000 0.443 0.000 0.987 253 F HN -0.110 nan 8.300 nan 0.000 0.475 254 T N 0.091 114.941 114.554 0.494 0.000 2.821 254 T HA -0.106 4.249 4.350 0.009 0.000 0.267 254 T C 1.792 176.557 174.700 0.109 0.000 1.046 254 T CA 1.404 63.682 62.100 0.297 0.000 1.139 254 T CB -0.329 68.724 68.868 0.308 0.000 0.871 254 T HN 0.230 nan 8.240 nan 0.000 0.454 255 L N 0.622 121.913 121.223 0.114 0.000 2.591 255 L HA 0.243 4.589 4.340 0.009 0.000 0.228 255 L C 1.016 177.881 176.870 -0.009 0.000 1.133 255 L CA 0.026 54.892 54.840 0.044 0.000 0.880 255 L CB -0.003 42.080 42.059 0.040 0.000 1.033 255 L HN 0.154 nan 8.230 nan 0.000 0.450 256 S N 0.352 116.007 115.700 -0.075 0.000 3.635 256 S HA -0.149 4.326 4.470 0.009 0.000 0.328 256 S C 0.246 174.995 174.600 0.249 0.000 1.135 256 S CA 0.358 58.429 58.200 -0.214 0.000 0.942 256 S CB -1.771 61.221 63.200 -0.347 0.000 0.930 256 S HN 0.286 nan 8.310 nan 0.000 0.512 257 L N 0.487 121.940 121.223 0.384 0.000 2.326 257 L HA 0.590 4.936 4.340 0.009 0.000 0.278 257 L C 1.499 178.713 176.870 0.572 0.000 1.092 257 L CA 0.415 55.460 54.840 0.342 0.000 0.810 257 L CB 0.883 42.946 42.059 0.006 0.000 1.153 257 L HN 0.415 nan 8.230 nan 0.000 0.439 258 G N 1.906 110.980 108.800 0.456 0.000 2.176 258 G HA2 -0.314 3.652 3.960 0.009 0.000 0.253 258 G HA3 -0.314 3.652 3.960 0.009 0.000 0.253 258 G C 0.380 175.404 174.900 0.207 0.000 0.979 258 G CA 0.168 45.530 45.100 0.437 0.000 0.641 258 G HN 0.574 nan 8.290 nan 0.000 0.530 259 F N 0.463 120.521 119.950 0.181 0.000 2.749 259 F HA 0.399 4.931 4.527 0.009 0.000 0.300 259 F C 2.239 178.034 175.800 -0.008 0.000 1.103 259 F CA 1.008 59.022 58.000 0.025 0.000 1.342 259 F CB 0.645 39.593 39.000 -0.088 0.000 1.098 259 F HN 0.665 nan 8.300 nan 0.000 0.586 260 G N 0.416 109.363 108.800 0.245 0.000 2.212 260 G HA2 -0.380 3.586 3.960 0.009 0.000 0.266 260 G HA3 -0.380 3.586 3.960 0.009 0.000 0.266 260 G C 1.320 176.263 174.900 0.072 0.000 0.978 260 G CA 0.509 45.705 45.100 0.159 0.000 0.632 260 G HN 0.522 nan 8.290 nan 0.000 0.537 261 A N 0.184 123.025 122.820 0.035 0.000 1.930 261 A HA 0.372 4.698 4.320 0.009 0.000 0.215 261 A C 2.313 179.778 177.584 -0.198 0.000 1.176 261 A CA 1.779 53.739 52.037 -0.129 0.000 0.632 261 A CB -0.240 18.603 19.000 -0.261 0.000 0.819 261 A HN 0.479 nan 8.150 nan 0.000 0.445 262 I N 0.171 120.660 120.570 -0.136 0.000 2.315 262 I HA -0.186 3.990 4.170 0.009 0.000 0.248 262 I C 2.377 178.404 176.117 -0.150 0.000 1.117 262 I CA 1.124 62.312 61.300 -0.186 0.000 1.404 262 I CB -1.101 36.834 38.000 -0.108 0.000 1.071 262 I HN 0.300 nan 8.210 nan 0.000 0.419 263 I N 0.641 121.184 120.570 -0.044 0.000 2.163 263 I HA -0.312 3.864 4.170 0.009 0.000 0.243 263 I C 2.485 178.594 176.117 -0.013 0.000 1.085 263 I CA 1.637 62.926 61.300 -0.019 0.000 1.347 263 I CB -0.611 37.413 38.000 0.040 0.000 1.044 263 I HN 0.196 nan 8.210 nan 0.000 0.408 264 T N -0.268 114.305 114.554 0.032 0.000 2.746 264 T HA -0.183 4.173 4.350 0.009 0.000 0.267 264 T C 1.831 176.662 174.700 0.219 0.000 1.039 264 T CA 1.302 63.447 62.100 0.075 0.000 1.142 264 T CB -0.329 68.626 68.868 0.145 0.000 0.866 264 T HN 0.169 nan 8.240 nan 0.000 0.444 265 Y N 1.548 121.909 120.300 0.101 0.000 2.181 265 Y HA 0.054 4.610 4.550 0.009 0.000 0.288 265 Y C 2.712 178.782 175.900 0.284 0.000 1.146 265 Y CA 0.108 58.409 58.100 0.334 0.000 1.164 265 Y CB -1.134 37.429 38.460 0.173 0.000 0.982 265 Y HN 0.208 nan 8.280 nan 0.000 0.515 266 A N -0.650 122.208 122.820 0.063 0.000 2.121 266 A HA -0.129 4.197 4.320 0.009 0.000 0.218 266 A C 2.343 179.947 177.584 0.034 0.000 1.154 266 A CA 1.509 53.503 52.037 -0.072 0.000 0.679 266 A CB -0.946 17.898 19.000 -0.259 0.000 0.795 266 A HN 0.452 nan 8.150 nan 0.000 0.458 267 S N -1.634 114.003 115.700 -0.105 0.000 2.555 267 S HA -0.069 4.407 4.470 0.009 0.000 0.230 267 S C 1.089 175.438 174.600 -0.418 0.000 0.978 267 S CA 0.787 58.816 58.200 -0.286 0.000 0.934 267 S CB -0.645 62.290 63.200 -0.441 0.000 0.766 267 S HN 0.582 nan 8.310 nan 0.000 0.533 268 Y N 0.891 121.213 120.300 0.037 0.000 2.467 268 Y HA 0.475 5.031 4.550 0.009 0.000 0.250 268 Y C 0.556 176.578 175.900 0.204 0.000 1.155 268 Y CA -0.872 57.155 58.100 -0.121 0.000 1.249 268 Y CB 0.071 38.144 38.460 -0.645 0.000 1.146 268 Y HN 0.082 nan 8.280 nan 0.000 0.524 269 V N 2.257 122.435 119.914 0.441 0.000 2.530 269 V HA 0.148 4.273 4.120 0.009 0.000 0.282 269 V C 0.628 176.906 176.094 0.307 0.000 1.048 269 V CA -1.056 61.508 62.300 0.439 0.000 0.997 269 V CB 0.693 32.729 31.823 0.355 0.000 0.987 269 V HN 0.233 nan 8.190 nan 0.000 0.477 270 R N 2.995 123.623 120.500 0.212 0.000 2.698 270 R HA 0.025 4.371 4.340 0.009 0.000 0.266 270 R C 1.594 177.939 176.300 0.076 0.000 1.026 270 R CA -0.145 55.977 56.100 0.037 0.000 1.102 270 R CB 0.460 30.696 30.300 -0.106 0.000 0.978 270 R HN 0.682 nan 8.270 nan 0.000 0.436 271 K N 1.965 122.394 120.400 0.048 0.000 2.127 271 K HA -0.222 4.103 4.320 0.009 0.000 0.208 271 K C 0.848 177.487 176.600 0.065 0.000 1.047 271 K CA 2.243 58.568 56.287 0.062 0.000 0.927 271 K CB 0.083 32.605 32.500 0.036 0.000 0.716 271 K HN 0.694 nan 8.250 nan 0.000 0.450 272 D N -0.482 119.944 120.400 0.042 0.000 2.367 272 D HA -0.108 4.538 4.640 0.009 0.000 0.207 272 D C 0.474 176.801 176.300 0.044 0.000 1.034 272 D CA -0.089 53.934 54.000 0.037 0.000 0.861 272 D CB -0.152 40.658 40.800 0.016 0.000 0.943 272 D HN 0.279 nan 8.370 nan 0.000 0.515 273 Q N 1.640 121.478 119.800 0.063 0.000 2.361 273 Q HA 0.016 4.362 4.340 0.009 0.000 0.276 273 Q C -0.523 175.530 176.000 0.088 0.000 1.022 273 Q CA -0.289 55.561 55.803 0.077 0.000 0.898 273 Q CB 0.813 29.619 28.738 0.112 0.000 1.246 273 Q HN 0.048 nan 8.270 nan 0.000 0.410 274 D N 2.496 122.930 120.400 0.058 0.000 2.488 274 D HA -0.024 4.622 4.640 0.009 0.000 0.238 274 D C 0.648 176.984 176.300 0.060 0.000 1.138 274 D CA 0.414 54.429 54.000 0.026 0.000 0.873 274 D CB 0.461 41.253 40.800 -0.012 0.000 1.183 274 D HN 0.582 nan 8.370 nan 0.000 0.458 275 I N 0.299 120.879 120.570 0.016 0.000 4.526 275 I HA 0.109 4.285 4.170 0.009 0.000 0.330 275 I C 0.910 176.893 176.117 -0.223 0.000 1.323 275 I CA -0.502 60.792 61.300 -0.010 0.000 1.218 275 I CB 0.257 38.415 38.000 0.263 0.000 1.233 275 I HN 0.279 nan 8.210 nan 0.000 0.430 276 V N 1.678 121.476 119.914 -0.194 0.000 2.270 276 V HA -0.203 3.923 4.120 0.009 0.000 0.245 276 V C 2.467 178.551 176.094 -0.017 0.000 1.043 276 V CA 2.126 64.281 62.300 -0.241 0.000 1.014 276 V CB -0.448 31.126 31.823 -0.415 0.000 0.645 276 V HN 0.476 nan 8.190 nan 0.000 0.447 277 L N -0.238 120.930 121.223 -0.092 0.000 2.109 277 L HA -0.024 4.322 4.340 0.009 0.000 0.207 277 L C 2.450 179.236 176.870 -0.139 0.000 1.086 277 L CA 1.835 56.637 54.840 -0.063 0.000 0.760 277 L CB -0.592 41.434 42.059 -0.055 0.000 0.910 277 L HN 0.236 nan 8.230 nan 0.000 0.437 278 S N -0.116 115.443 115.700 -0.235 0.000 2.356 278 S HA -0.102 4.374 4.470 0.009 0.000 0.223 278 S C 1.900 176.102 174.600 -0.662 0.000 1.032 278 S CA 1.152 59.154 58.200 -0.332 0.000 1.005 278 S CB -0.996 62.057 63.200 -0.244 0.000 0.867 278 S HN 0.681 nan 8.310 nan 0.000 0.449 279 G N 1.864 109.934 108.800 -1.217 0.000 2.459 279 G HA2 -0.207 3.758 3.960 0.009 0.000 0.217 279 G HA3 -0.207 3.758 3.960 0.009 0.000 0.217 279 G C 1.407 175.955 174.900 -0.586 0.000 1.183 279 G CA 1.113 45.366 45.100 -1.412 0.000 0.776 279 G HN 0.424 nan 8.290 nan 0.000 0.552 280 L N 0.992 122.005 121.223 -0.351 0.000 2.079 280 L HA -0.025 4.321 4.340 0.009 0.000 0.210 280 L C 2.864 179.648 176.870 -0.143 0.000 1.081 280 L CA 2.657 57.347 54.840 -0.250 0.000 0.752 280 L CB -0.946 41.101 42.059 -0.020 0.000 0.896 280 L HN 0.208 nan 8.230 nan 0.000 0.433 281 T N -0.216 114.264 114.554 -0.124 0.000 2.737 281 T HA -0.105 4.250 4.350 0.009 0.000 0.265 281 T C 1.928 176.601 174.700 -0.044 0.000 1.038 281 T CA 1.289 63.348 62.100 -0.068 0.000 1.144 281 T CB -0.548 68.282 68.868 -0.063 0.000 0.866 281 T HN 0.523 nan 8.240 nan 0.000 0.434 282 A N 1.611 124.411 122.820 -0.034 0.000 1.883 282 A HA 0.107 4.433 4.320 0.009 0.000 0.217 282 A C 2.659 180.260 177.584 0.027 0.000 1.186 282 A CA 1.942 54.004 52.037 0.041 0.000 0.624 282 A CB -1.192 17.923 19.000 0.192 0.000 0.822 282 A HN 0.506 nan 8.150 nan 0.000 0.444 283 A N -1.093 121.726 122.820 -0.001 0.000 1.902 283 A HA -0.103 4.222 4.320 0.009 0.000 0.217 283 A C 2.315 179.947 177.584 0.080 0.000 1.181 283 A CA 2.365 54.430 52.037 0.048 0.000 0.623 283 A CB -1.293 17.693 19.000 -0.024 0.000 0.818 283 A HN 0.439 nan 8.150 nan 0.000 0.443 284 T N 0.399 114.985 114.554 0.053 0.000 2.821 284 T HA -0.048 4.308 4.350 0.009 0.000 0.267 284 T C 1.808 176.487 174.700 -0.035 0.000 1.046 284 T CA 1.326 63.439 62.100 0.021 0.000 1.139 284 T CB -0.360 68.522 68.868 0.024 0.000 0.871 284 T HN 0.356 nan 8.240 nan 0.000 0.454 285 L N 1.159 122.366 121.223 -0.026 0.000 2.042 285 L HA -0.151 4.194 4.340 0.009 0.000 0.210 285 L C 2.622 179.473 176.870 -0.032 0.000 1.076 285 L CA 1.382 56.202 54.840 -0.033 0.000 0.749 285 L CB -0.595 41.447 42.059 -0.028 0.000 0.893 285 L HN 0.292 nan 8.230 nan 0.000 0.432 286 N N -0.160 118.522 118.700 -0.030 0.000 2.069 286 N HA -0.224 4.521 4.740 0.009 0.000 0.191 286 N C 1.805 177.252 175.510 -0.106 0.000 1.031 286 N CA 1.356 54.379 53.050 -0.045 0.000 0.852 286 N CB 0.079 38.554 38.487 -0.020 0.000 1.018 286 N HN 0.157 nan 8.380 nan 0.000 0.423 287 E N 0.564 120.669 120.200 -0.158 0.000 2.110 287 E HA -0.145 4.210 4.350 0.009 0.000 0.193 287 E C 1.813 178.307 176.600 -0.176 0.000 0.988 287 E CA 0.904 57.153 56.400 -0.251 0.000 0.804 287 E CB -0.155 29.233 29.700 -0.520 0.000 0.745 287 E HN 0.529 nan 8.360 nan 0.000 0.458 288 K N 0.623 120.957 120.400 -0.110 0.000 2.026 288 K HA -0.039 4.287 4.320 0.009 0.000 0.208 288 K C 2.178 178.759 176.600 -0.031 0.000 1.048 288 K CA 1.211 57.470 56.287 -0.047 0.000 0.929 288 K CB -0.161 32.332 32.500 -0.011 0.000 0.713 288 K HN 0.048 nan 8.250 nan 0.000 0.439 289 A N 1.316 124.117 122.820 -0.033 0.000 1.972 289 A HA -0.227 4.099 4.320 0.009 0.000 0.219 289 A C 2.045 179.485 177.584 -0.239 0.000 1.169 289 A CA 1.728 53.745 52.037 -0.033 0.000 0.635 289 A CB -0.340 18.666 19.000 0.009 0.000 0.810 289 A HN 0.407 nan 8.150 nan 0.000 0.446 290 E N -0.194 119.821 120.200 -0.309 0.000 2.021 290 E HA -0.102 4.253 4.350 0.009 0.000 0.189 290 E C 1.964 178.180 176.600 -0.639 0.000 0.980 290 E CA 1.646 57.727 56.400 -0.533 0.000 0.803 290 E CB -0.135 29.249 29.700 -0.526 0.000 0.766 290 E HN 0.454 nan 8.360 nan 0.000 0.449 291 V N -0.935 118.697 119.914 -0.469 0.000 2.649 291 V HA -0.014 4.112 4.120 0.009 0.000 0.248 291 V C 2.060 178.214 176.094 0.101 0.000 1.054 291 V CA 1.135 63.276 62.300 -0.265 0.000 1.073 291 V CB -0.401 31.427 31.823 0.008 0.000 0.699 291 V HN 0.265 nan 8.190 nan 0.000 0.463 292 I N -0.543 120.061 120.570 0.056 0.000 2.556 292 I HA 0.043 4.219 4.170 0.009 0.000 0.251 292 I C 2.407 178.586 176.117 0.102 0.000 1.105 292 I CA 1.029 62.392 61.300 0.104 0.000 1.436 292 I CB -0.076 37.960 38.000 0.060 0.000 1.139 292 I HN 0.233 nan 8.210 nan 0.000 0.438 293 L N 0.285 121.558 121.223 0.083 0.000 2.116 293 L HA 0.131 4.477 4.340 0.009 0.000 0.200 293 L C 2.712 179.715 176.870 0.222 0.000 1.084 293 L CA 1.317 56.262 54.840 0.174 0.000 0.766 293 L CB -1.252 40.968 42.059 0.269 0.000 0.930 293 L HN 0.218 nan 8.230 nan 0.000 0.453 294 G N -0.005 108.808 108.800 0.023 0.000 2.440 294 G HA2 -0.206 3.759 3.960 0.009 0.000 0.218 294 G HA3 -0.206 3.759 3.960 0.009 0.000 0.218 294 G C 1.550 176.571 174.900 0.201 0.000 1.154 294 G CA 0.808 45.937 45.100 0.048 0.000 0.767 294 G HN 0.494 nan 8.290 nan 0.000 0.552 295 G N -0.001 108.898 108.800 0.166 0.000 2.471 295 G HA2 -0.001 3.964 3.960 0.009 0.000 0.219 295 G HA3 -0.001 3.964 3.960 0.009 0.000 0.219 295 G C 1.746 176.776 174.900 0.218 0.000 1.125 295 G CA 1.205 46.481 45.100 0.294 0.000 0.775 295 G HN 0.427 nan 8.290 nan 0.000 0.548 296 S N -0.323 115.496 115.700 0.197 0.000 2.556 296 S HA 0.324 4.799 4.470 0.009 0.000 0.216 296 S C 1.657 176.338 174.600 0.135 0.000 0.970 296 S CA -0.316 57.987 58.200 0.173 0.000 0.912 296 S CB 0.211 63.498 63.200 0.146 0.000 0.790 296 S HN 0.354 nan 8.310 nan 0.000 0.504 297 I N 0.358 121.005 120.570 0.129 0.000 3.325 297 I HA 0.002 4.177 4.170 0.009 0.000 0.237 297 I C 2.118 178.185 176.117 -0.082 0.000 1.068 297 I CA 0.484 61.811 61.300 0.045 0.000 1.511 297 I CB -0.401 37.653 38.000 0.091 0.000 1.409 297 I HN 0.118 nan 8.210 nan 0.000 0.464 298 S N 1.328 116.962 115.700 -0.111 0.000 2.355 298 S HA -0.061 4.415 4.470 0.009 0.000 0.222 298 S C 2.024 176.556 174.600 -0.115 0.000 1.031 298 S CA 1.024 59.096 58.200 -0.212 0.000 0.993 298 S CB -0.176 62.939 63.200 -0.141 0.000 0.859 298 S HN 0.208 nan 8.310 nan 0.000 0.453 299 I N 2.277 122.828 120.570 -0.030 0.000 2.142 299 I HA -0.064 4.112 4.170 0.009 0.000 0.240 299 I C -0.838 175.292 176.117 0.022 0.000 1.078 299 I CA 1.142 62.440 61.300 -0.002 0.000 1.343 299 I CB -2.710 35.316 38.000 0.044 0.000 1.046 299 I HN 0.163 nan 8.210 nan 0.000 0.405 300 P HA -0.094 nan 4.420 nan 0.000 0.216 300 P C 1.692 179.022 177.300 0.050 0.000 1.150 300 P CA 1.907 65.054 63.100 0.079 0.000 0.837 300 P CB -0.011 31.764 31.700 0.125 0.000 0.786 301 A N 0.062 122.882 122.820 -0.000 0.000 1.877 301 A HA -0.117 4.209 4.320 0.009 0.000 0.216 301 A C 2.335 179.912 177.584 -0.012 0.000 1.186 301 A CA 2.209 54.224 52.037 -0.036 0.000 0.620 301 A CB -1.606 17.279 19.000 -0.191 0.000 0.822 301 A HN 0.196 nan 8.150 nan 0.000 0.443 302 A N -0.685 122.126 122.820 -0.016 0.000 1.873 302 A HA 0.032 4.358 4.320 0.009 0.000 0.215 302 A C 2.228 179.917 177.584 0.175 0.000 1.186 302 A CA 1.729 53.838 52.037 0.119 0.000 0.616 302 A CB -0.924 18.103 19.000 0.044 0.000 0.823 302 A HN 0.387 nan 8.150 nan 0.000 0.442 303 V N -0.027 119.924 119.914 0.062 0.000 2.343 303 V HA -0.236 3.889 4.120 0.009 0.000 0.247 303 V C 3.054 179.167 176.094 0.032 0.000 1.051 303 V CA 1.820 64.134 62.300 0.023 0.000 1.036 303 V CB -1.249 30.558 31.823 -0.026 0.000 0.654 303 V HN 0.613 nan 8.190 nan 0.000 0.451 304 A N -0.562 122.289 122.820 0.050 0.000 1.908 304 A HA -0.222 4.103 4.320 0.009 0.000 0.218 304 A C 2.019 179.569 177.584 -0.057 0.000 1.181 304 A CA 2.087 54.134 52.037 0.018 0.000 0.627 304 A CB -0.651 18.397 19.000 0.081 0.000 0.818 304 A HN 0.485 nan 8.150 nan 0.000 0.445 305 F N -2.664 117.131 119.950 -0.257 0.000 2.473 305 F HA 0.193 4.726 4.527 0.010 0.000 0.294 305 F C 1.383 176.804 175.800 -0.632 0.000 1.103 305 F CA 0.763 58.455 58.000 -0.514 0.000 1.442 305 F CB 0.078 38.612 39.000 -0.778 0.000 1.097 305 F HN 0.212 nan 8.300 nan 0.000 0.547 306 F N -0.782 119.210 119.950 0.069 0.000 2.746 306 F HA 0.483 5.014 4.527 0.008 0.000 0.313 306 F C 1.193 176.964 175.800 -0.048 0.000 1.095 306 F CA 0.187 58.187 58.000 0.001 0.000 1.224 306 F CB -0.171 38.819 39.000 -0.016 0.000 1.060 306 F HN -0.081 nan 8.300 nan 0.000 0.584 307 G N 0.572 109.417 108.800 0.075 0.000 2.781 307 G HA2 -0.173 3.793 3.960 0.009 0.000 0.683 307 G HA3 -0.173 3.793 3.960 0.009 0.000 0.683 307 G C 0.530 175.398 174.900 -0.054 0.000 1.390 307 G CA -0.549 44.550 45.100 -0.002 0.000 0.850 307 G HN -0.035 nan 8.290 nan 0.000 0.557 308 V N 1.279 121.112 119.914 -0.137 0.000 2.237 308 V HA -0.086 4.040 4.120 0.009 0.000 0.245 308 V C 3.476 179.397 176.094 -0.288 0.000 1.046 308 V CA 3.528 65.640 62.300 -0.313 0.000 1.007 308 V CB -1.463 30.140 31.823 -0.368 0.000 0.638 308 V HN 1.893 nan 8.190 nan 0.000 0.445 309 A N 0.457 123.173 122.820 -0.173 0.000 1.917 309 A HA -0.281 4.045 4.320 0.009 0.000 0.219 309 A C 2.077 179.586 177.584 -0.124 0.000 1.182 309 A CA 2.334 54.291 52.037 -0.132 0.000 0.633 309 A CB -0.740 18.215 19.000 -0.075 0.000 0.819 309 A HN 0.620 nan 8.150 nan 0.000 0.448 310 N N 0.066 118.711 118.700 -0.091 0.000 2.216 310 N HA -0.051 4.694 4.740 0.009 0.000 0.183 310 N C 1.938 177.351 175.510 -0.163 0.000 1.017 310 N CA 1.396 54.384 53.050 -0.103 0.000 0.861 310 N CB -0.543 37.929 38.487 -0.023 0.000 0.986 310 N HN 0.479 nan 8.380 nan 0.000 0.428 311 A N 0.975 123.715 122.820 -0.135 0.000 1.877 311 A HA -0.088 4.238 4.320 0.009 0.000 0.216 311 A C 2.526 179.992 177.584 -0.196 0.000 1.186 311 A CA 1.321 53.265 52.037 -0.156 0.000 0.620 311 A CB -0.854 18.056 19.000 -0.150 0.000 0.822 311 A HN 0.090 nan 8.150 nan 0.000 0.443 312 V N -0.104 119.668 119.914 -0.236 0.000 2.332 312 V HA -0.273 3.852 4.120 0.009 0.000 0.248 312 V C 3.050 179.060 176.094 -0.140 0.000 1.055 312 V CA 2.004 64.191 62.300 -0.189 0.000 1.038 312 V CB -1.219 30.494 31.823 -0.185 0.000 0.651 312 V HN 0.631 nan 8.190 nan 0.000 0.450 313 A N -0.256 122.480 122.820 -0.139 0.000 1.933 313 A HA -0.170 4.155 4.320 0.009 0.000 0.218 313 A C 2.180 179.687 177.584 -0.130 0.000 1.175 313 A CA 1.852 53.818 52.037 -0.119 0.000 0.628 313 A CB -0.527 18.405 19.000 -0.114 0.000 0.814 313 A HN 0.511 nan 8.150 nan 0.000 0.444 314 I N -0.283 120.185 120.570 -0.170 0.000 2.226 314 I HA -0.295 3.881 4.170 0.009 0.000 0.245 314 I C 2.969 179.013 176.117 -0.123 0.000 1.100 314 I CA 1.054 62.251 61.300 -0.171 0.000 1.374 314 I CB -0.311 37.544 38.000 -0.242 0.000 1.057 314 I HN 0.369 nan 8.210 nan 0.000 0.413 315 A N 0.715 123.458 122.820 -0.128 0.000 1.902 315 A HA -0.223 4.103 4.320 0.009 0.000 0.217 315 A C 2.266 179.782 177.584 -0.113 0.000 1.181 315 A CA 1.627 53.591 52.037 -0.120 0.000 0.623 315 A CB -0.424 18.494 19.000 -0.136 0.000 0.818 315 A HN 0.339 nan 8.150 nan 0.000 0.443 316 K N -0.299 120.039 120.400 -0.104 0.000 2.288 316 K HA 0.109 4.434 4.320 0.009 0.000 0.201 316 K C 2.155 178.713 176.600 -0.071 0.000 1.048 316 K CA 0.641 56.874 56.287 -0.090 0.000 0.956 316 K CB -0.227 32.226 32.500 -0.078 0.000 0.746 316 K HN 0.450 nan 8.250 nan 0.000 0.461 317 A N 1.554 124.335 122.820 -0.065 0.000 1.908 317 A HA -0.025 4.301 4.320 0.009 0.000 0.218 317 A C 1.181 178.756 177.584 -0.014 0.000 1.181 317 A CA 1.804 53.819 52.037 -0.037 0.000 0.627 317 A CB -0.290 18.688 19.000 -0.037 0.000 0.818 317 A HN 0.410 nan 8.150 nan 0.000 0.445 318 G N -4.760 104.026 108.800 -0.023 0.000 2.548 318 G HA2 0.529 4.495 3.960 0.009 0.000 0.301 318 G HA3 0.529 4.495 3.960 0.009 0.000 0.301 318 G C 0.308 175.151 174.900 -0.095 0.000 1.349 318 G CA 0.034 45.120 45.100 -0.022 0.000 0.792 318 G HN 0.770 nan 8.290 nan 0.000 0.481 319 A N -1.178 121.509 122.820 -0.221 0.000 2.081 319 A HA 0.490 4.815 4.320 0.009 0.000 0.214 319 A C 1.350 178.686 177.584 -0.414 0.000 1.158 319 A CA 0.971 52.745 52.037 -0.438 0.000 0.724 319 A CB -0.237 18.320 19.000 -0.737 0.000 0.826 319 A HN 0.516 nan 8.150 nan 0.000 0.463 320 F N -0.692 119.360 119.950 0.170 0.000 2.706 320 F HA 0.175 4.708 4.527 0.010 0.000 0.308 320 F C 1.840 177.828 175.800 0.314 0.000 1.095 320 F CA -0.258 57.929 58.000 0.311 0.000 1.244 320 F CB -0.073 39.088 39.000 0.269 0.000 1.063 320 F HN 0.169 nan 8.300 nan 0.000 0.582 321 N N 0.897 119.782 118.700 0.308 0.000 2.069 321 N HA -0.202 4.543 4.740 0.009 0.000 0.191 321 N C 1.857 177.466 175.510 0.165 0.000 1.031 321 N CA 1.157 54.340 53.050 0.223 0.000 0.852 321 N CB -0.134 38.416 38.487 0.105 0.000 1.018 321 N HN 0.155 nan 8.380 nan 0.000 0.423 322 L N 1.014 122.298 121.223 0.102 0.000 2.027 322 L HA 0.010 4.356 4.340 0.009 0.000 0.206 322 L C 2.156 179.045 176.870 0.032 0.000 1.074 322 L CA 1.730 56.580 54.840 0.015 0.000 0.745 322 L CB -0.994 41.052 42.059 -0.023 0.000 0.898 322 L HN 0.081 nan 8.230 nan 0.000 0.433 323 G N -2.106 106.806 108.800 0.187 0.000 2.453 323 G HA2 -0.173 3.793 3.960 0.009 0.000 0.215 323 G HA3 -0.173 3.793 3.960 0.009 0.000 0.215 323 G C 1.186 176.199 174.900 0.189 0.000 1.147 323 G CA 0.553 45.791 45.100 0.229 0.000 0.802 323 G HN 0.424 nan 8.290 nan 0.000 0.535 324 F N -0.615 119.549 119.950 0.357 0.000 2.717 324 F HA 0.461 4.994 4.527 0.009 0.000 0.297 324 F C 1.963 178.033 175.800 0.449 0.000 1.113 324 F CA -0.027 58.217 58.000 0.407 0.000 1.319 324 F CB 0.503 39.599 39.000 0.160 0.000 1.097 324 F HN 0.040 nan 8.300 nan 0.000 0.595 325 I N -1.975 118.854 120.570 0.431 0.000 3.518 325 I HA -0.056 4.120 4.170 0.009 0.000 0.260 325 I C 1.993 178.147 176.117 0.061 0.000 1.148 325 I CA 0.564 62.059 61.300 0.326 0.000 1.440 325 I CB -0.423 37.739 38.000 0.271 0.000 1.485 325 I HN -0.203 nan 8.210 nan 0.000 0.456 326 T N 1.935 116.479 114.554 -0.017 0.000 2.701 326 T HA -0.131 4.224 4.350 0.009 0.000 0.263 326 T C 1.853 176.359 174.700 -0.322 0.000 1.040 326 T CA 1.383 63.401 62.100 -0.137 0.000 1.147 326 T CB -0.286 68.509 68.868 -0.122 0.000 0.865 326 T HN 0.067 nan 8.240 nan 0.000 0.426 327 L N 2.653 123.611 121.223 -0.441 0.000 2.012 327 L HA -0.017 4.329 4.340 0.009 0.000 0.210 327 L C -0.744 175.522 176.870 -1.007 0.000 1.073 327 L CA 1.953 56.269 54.840 -0.872 0.000 0.748 327 L CB -1.267 40.086 42.059 -1.176 0.000 0.891 327 L HN 0.151 nan 8.230 nan 0.000 0.431 328 P HA -0.138 nan 4.420 nan 0.000 0.217 328 P C 1.409 178.321 177.300 -0.647 0.000 1.150 328 P CA 1.923 64.821 63.100 -0.337 0.000 0.832 328 P CB -0.144 31.673 31.700 0.195 0.000 0.787 329 A N 0.154 122.362 122.820 -1.020 0.000 1.902 329 A HA -0.146 4.180 4.320 0.009 0.000 0.217 329 A C 2.372 179.619 177.584 -0.562 0.000 1.181 329 A CA 1.336 52.673 52.037 -1.166 0.000 0.623 329 A CB -1.568 17.012 19.000 -0.701 0.000 0.818 329 A HN 0.098 nan 8.150 nan 0.000 0.443 330 I N -1.378 118.851 120.570 -0.567 0.000 2.179 330 I HA -0.244 3.931 4.170 0.009 0.000 0.242 330 I C 2.211 178.059 176.117 -0.448 0.000 1.088 330 I CA 1.229 62.088 61.300 -0.735 0.000 1.357 330 I CB -0.413 37.033 38.000 -0.923 0.000 1.051 330 I HN 0.250 nan 8.210 nan 0.000 0.409 331 F N 1.309 121.016 119.950 -0.405 0.000 2.161 331 F HA -0.223 4.310 4.527 0.009 0.000 0.300 331 F C 3.002 178.747 175.800 -0.091 0.000 1.089 331 F CA 1.408 59.275 58.000 -0.221 0.000 1.282 331 F CB -1.552 37.358 39.000 -0.150 0.000 1.010 331 F HN 0.199 nan 8.300 nan 0.000 0.485 332 S N -0.678 115.088 115.700 0.110 0.000 2.500 332 S HA -0.152 4.324 4.470 0.009 0.000 0.239 332 S C 1.451 176.123 174.600 0.119 0.000 0.989 332 S CA 0.710 59.009 58.200 0.166 0.000 0.951 332 S CB -0.357 62.999 63.200 0.260 0.000 0.759 332 S HN 0.377 nan 8.310 nan 0.000 0.523 333 Q N 1.651 121.492 119.800 0.069 0.000 2.360 333 Q HA 0.175 4.520 4.340 0.009 0.000 0.202 333 Q C 0.636 176.711 176.000 0.125 0.000 0.915 333 Q CA 0.554 56.422 55.803 0.109 0.000 0.943 333 Q CB 0.411 29.248 28.738 0.165 0.000 1.064 333 Q HN 0.854 nan 8.270 nan 0.000 0.511 334 T N -3.106 111.511 114.554 0.105 0.000 2.912 334 T HA 0.730 5.086 4.350 0.009 0.000 0.288 334 T C -0.172 174.568 174.700 0.067 0.000 1.030 334 T CA -0.804 61.348 62.100 0.085 0.000 1.020 334 T CB 2.147 71.054 68.868 0.066 0.000 1.056 334 T HN 0.083 nan 8.240 nan 0.000 0.480 335 A N 0.973 123.822 122.820 0.049 0.000 2.520 335 A HA 0.541 4.867 4.320 0.009 0.000 0.245 335 A C 1.634 179.249 177.584 0.050 0.000 1.072 335 A CA 0.292 52.356 52.037 0.044 0.000 0.761 335 A CB -1.363 17.653 19.000 0.028 0.000 1.004 335 A HN 2.449 nan 8.150 nan 0.000 0.499 336 G N 1.596 110.438 108.800 0.070 0.000 2.153 336 G HA2 -0.143 3.823 3.960 0.009 0.000 0.252 336 G HA3 -0.143 3.823 3.960 0.009 0.000 0.252 336 G C 1.159 176.150 174.900 0.151 0.000 0.994 336 G CA 0.874 46.038 45.100 0.107 0.000 0.698 336 G HN 1.851 nan 8.290 nan 0.000 0.521 337 G N -0.710 108.166 108.800 0.127 0.000 2.443 337 G HA2 0.051 4.016 3.960 0.009 0.000 0.219 337 G HA3 0.051 4.016 3.960 0.009 0.000 0.219 337 G C 1.580 176.646 174.900 0.277 0.000 1.131 337 G CA 2.159 47.341 45.100 0.136 0.000 0.775 337 G HN 0.587 nan 8.290 nan 0.000 0.547 338 T N 0.489 115.231 114.554 0.313 0.000 2.777 338 T HA -0.070 4.285 4.350 0.009 0.000 0.266 338 T C 1.887 176.898 174.700 0.518 0.000 1.040 338 T CA 0.795 63.153 62.100 0.430 0.000 1.141 338 T CB -0.239 68.785 68.868 0.259 0.000 0.868 338 T HN 0.246 nan 8.240 nan 0.000 0.444 339 F N 1.262 121.371 119.950 0.265 0.000 2.234 339 F HA 0.076 4.608 4.527 0.009 0.000 0.299 339 F C 1.861 177.842 175.800 0.300 0.000 1.087 339 F CA 0.426 58.600 58.000 0.289 0.000 1.340 339 F CB -0.299 38.802 39.000 0.168 0.000 1.031 339 F HN 0.008 nan 8.300 nan 0.000 0.500 340 L N 0.361 121.724 121.223 0.233 0.000 2.083 340 L HA 0.011 4.356 4.340 0.009 0.000 0.209 340 L C 2.487 179.381 176.870 0.040 0.000 1.083 340 L CA 2.038 56.851 54.840 -0.045 0.000 0.752 340 L CB -1.444 40.326 42.059 -0.481 0.000 0.899 340 L HN 0.189 nan 8.230 nan 0.000 0.433 341 G N -1.136 107.837 108.800 0.289 0.000 2.418 341 G HA2 -0.360 3.606 3.960 0.009 0.000 0.217 341 G HA3 -0.360 3.606 3.960 0.009 0.000 0.217 341 G C 1.559 176.579 174.900 0.201 0.000 1.158 341 G CA 0.826 46.098 45.100 0.287 0.000 0.771 341 G HN 0.475 nan 8.290 nan 0.000 0.545 342 F N 1.472 121.527 119.950 0.176 0.000 2.126 342 F HA -0.020 4.512 4.527 0.009 0.000 0.299 342 F C 2.335 178.130 175.800 -0.008 0.000 1.096 342 F CA 1.240 59.308 58.000 0.113 0.000 1.255 342 F CB -0.350 38.605 39.000 -0.076 0.000 0.997 342 F HN 0.064 nan 8.300 nan 0.000 0.479 343 L N -0.561 120.365 121.223 -0.495 0.000 2.083 343 L HA -0.244 4.102 4.340 0.009 0.000 0.209 343 L C 2.620 179.347 176.870 -0.237 0.000 1.083 343 L CA 1.611 56.129 54.840 -0.537 0.000 0.752 343 L CB -1.108 40.793 42.059 -0.264 0.000 0.899 343 L HN 0.543 nan 8.230 nan 0.000 0.433 344 W N 0.983 122.093 121.300 -0.318 0.000 2.355 344 W HA -0.270 4.397 4.660 0.011 0.000 0.309 344 W C 2.112 178.348 176.519 -0.472 0.000 1.206 344 W CA 1.365 58.471 57.345 -0.398 0.000 1.284 344 W CB -0.319 28.869 29.460 -0.453 0.000 1.145 344 W HN 0.060 nan 8.180 nan 0.000 0.502 345 F N -0.342 119.400 119.950 -0.346 0.000 2.325 345 F HA -0.084 4.449 4.527 0.010 0.000 0.299 345 F C 2.238 177.880 175.800 -0.264 0.000 1.090 345 F CA 1.193 58.944 58.000 -0.414 0.000 1.392 345 F CB -1.550 37.358 39.000 -0.152 0.000 1.053 345 F HN -0.171 nan 8.300 nan 0.000 0.521 346 F N 0.255 120.024 119.950 -0.302 0.000 2.146 346 F HA -0.164 4.368 4.527 0.009 0.000 0.298 346 F C 2.262 177.894 175.800 -0.281 0.000 1.096 346 F CA 1.027 58.826 58.000 -0.335 0.000 1.275 346 F CB -0.431 38.108 39.000 -0.768 0.000 1.008 346 F HN -0.041 nan 8.300 nan 0.000 0.480 347 L N 0.491 121.581 121.223 -0.221 0.000 2.012 347 L HA -0.220 4.125 4.340 0.009 0.000 0.210 347 L C 2.069 178.701 176.870 -0.397 0.000 1.073 347 L CA 1.908 56.557 54.840 -0.318 0.000 0.748 347 L CB -1.006 40.804 42.059 -0.414 0.000 0.891 347 L HN 0.230 nan 8.230 nan 0.000 0.431 348 L N -1.539 119.361 121.223 -0.537 0.000 2.042 348 L HA -0.234 4.112 4.340 0.009 0.000 0.210 348 L C 2.509 179.308 176.870 -0.119 0.000 1.076 348 L CA 1.584 56.166 54.840 -0.430 0.000 0.749 348 L CB -0.775 40.927 42.059 -0.596 0.000 0.893 348 L HN 0.361 nan 8.230 nan 0.000 0.432 349 F N 0.271 120.103 119.950 -0.196 0.000 2.102 349 F HA -0.248 4.285 4.527 0.009 0.000 0.298 349 F C 2.251 178.093 175.800 0.070 0.000 1.105 349 F CA 1.395 59.352 58.000 -0.073 0.000 1.239 349 F CB -0.395 38.540 39.000 -0.108 0.000 0.991 349 F HN -0.115 nan 8.300 nan 0.000 0.474 350 F N 0.688 120.385 119.950 -0.420 0.000 2.171 350 F HA -0.061 4.472 4.527 0.009 0.000 0.300 350 F C 2.590 178.277 175.800 -0.188 0.000 1.090 350 F CA 0.872 58.659 58.000 -0.354 0.000 1.293 350 F CB -1.542 37.306 39.000 -0.253 0.000 1.013 350 F HN 0.090 nan 8.300 nan 0.000 0.486 351 A N 0.013 122.861 122.820 0.046 0.000 1.877 351 A HA -0.091 4.235 4.320 0.009 0.000 0.216 351 A C 2.631 180.261 177.584 0.078 0.000 1.186 351 A CA 1.901 53.995 52.037 0.093 0.000 0.620 351 A CB -1.559 17.534 19.000 0.155 0.000 0.822 351 A HN 0.393 nan 8.150 nan 0.000 0.443 352 G N -0.291 108.522 108.800 0.021 0.000 2.421 352 G HA2 -0.150 3.816 3.960 0.009 0.000 0.216 352 G HA3 -0.150 3.816 3.960 0.009 0.000 0.216 352 G C 1.496 176.416 174.900 0.033 0.000 1.171 352 G CA 1.233 46.378 45.100 0.076 0.000 0.775 352 G HN 0.493 nan 8.290 nan 0.000 0.543 353 L N 1.785 122.870 121.223 -0.229 0.000 2.046 353 L HA -0.059 4.287 4.340 0.009 0.000 0.208 353 L C 3.055 179.839 176.870 -0.142 0.000 1.077 353 L CA 2.863 57.518 54.840 -0.309 0.000 0.747 353 L CB -1.103 40.559 42.059 -0.661 0.000 0.896 353 L HN 0.371 nan 8.230 nan 0.000 0.432 354 T N -4.781 109.745 114.554 -0.046 0.000 3.007 354 T HA -0.050 4.306 4.350 0.009 0.000 0.270 354 T C 1.881 176.578 174.700 -0.005 0.000 1.107 354 T CA 1.243 63.367 62.100 0.040 0.000 1.118 354 T CB -0.407 68.500 68.868 0.065 0.000 0.889 354 T HN 0.295 nan 8.240 nan 0.000 0.506 355 S N 1.534 117.213 115.700 -0.036 0.000 2.421 355 S HA 0.021 4.496 4.470 0.009 0.000 0.224 355 S C 2.425 176.874 174.600 -0.252 0.000 1.035 355 S CA 0.776 58.878 58.200 -0.164 0.000 0.953 355 S CB -0.194 62.912 63.200 -0.156 0.000 0.810 355 S HN 0.821 nan 8.310 nan 0.000 0.497 356 S N 2.698 118.332 115.700 -0.110 0.000 2.406 356 S HA -0.022 4.454 4.470 0.009 0.000 0.228 356 S C 1.955 176.499 174.600 -0.094 0.000 1.020 356 S CA 0.859 59.000 58.200 -0.099 0.000 0.965 356 S CB -0.906 62.334 63.200 0.066 0.000 0.798 356 S HN 0.696 nan 8.310 nan 0.000 0.488 357 I N 0.226 120.750 120.570 -0.077 0.000 2.394 357 I HA 0.069 4.245 4.170 0.009 0.000 0.251 357 I C 2.585 178.718 176.117 0.028 0.000 1.136 357 I CA 1.153 62.432 61.300 -0.036 0.000 1.425 357 I CB -0.873 37.100 38.000 -0.044 0.000 1.079 357 I HN 0.311 nan 8.210 nan 0.000 0.425 358 A N 2.935 125.737 122.820 -0.031 0.000 1.898 358 A HA -0.069 4.256 4.320 0.009 0.000 0.216 358 A C 2.377 179.837 177.584 -0.205 0.000 1.181 358 A CA 1.841 53.766 52.037 -0.187 0.000 0.620 358 A CB -0.863 17.835 19.000 -0.503 0.000 0.819 358 A HN 0.715 nan 8.150 nan 0.000 0.442 359 I N -4.401 116.032 120.570 -0.229 0.000 2.928 359 I HA 0.007 4.183 4.170 0.009 0.000 0.266 359 I C 2.037 178.102 176.117 -0.086 0.000 1.234 359 I CA 1.111 62.291 61.300 -0.199 0.000 1.483 359 I CB -0.242 37.580 38.000 -0.296 0.000 1.097 359 I HN 0.155 nan 8.210 nan 0.000 0.455 360 M N 0.368 119.941 119.600 -0.045 0.000 2.510 360 M HA 0.022 4.507 4.480 0.009 0.000 0.256 360 M C 2.052 178.379 176.300 0.045 0.000 1.132 360 M CA 0.568 55.873 55.300 0.008 0.000 1.105 360 M CB 0.071 32.679 32.600 0.014 0.000 1.375 360 M HN 0.204 nan 8.290 nan 0.000 0.477 361 Q N 1.417 121.257 119.800 0.066 0.000 2.167 361 Q HA -0.070 4.276 4.340 0.009 0.000 0.202 361 Q C -1.059 175.021 176.000 0.132 0.000 0.970 361 Q CA 1.810 57.687 55.803 0.123 0.000 0.855 361 Q CB -1.079 27.805 28.738 0.245 0.000 0.911 361 Q HN 0.224 nan 8.270 nan 0.000 0.438 362 P HA -0.131 nan 4.420 nan 0.000 0.216 362 P C 1.121 178.485 177.300 0.106 0.000 1.153 362 P CA 1.319 64.472 63.100 0.088 0.000 0.848 362 P CB -0.139 31.581 31.700 0.035 0.000 0.787 363 M N -1.125 118.529 119.600 0.089 0.000 2.159 363 M HA -0.107 4.379 4.480 0.009 0.000 0.263 363 M C 1.842 178.249 176.300 0.178 0.000 1.063 363 M CA 1.793 57.167 55.300 0.124 0.000 1.110 363 M CB -1.075 31.591 32.600 0.110 0.000 1.374 363 M HN -0.211 nan 8.290 nan 0.000 0.411 364 I N -0.309 120.343 120.570 0.137 0.000 2.179 364 I HA -0.257 3.919 4.170 0.009 0.000 0.242 364 I C 2.418 178.603 176.117 0.113 0.000 1.088 364 I CA 1.231 62.602 61.300 0.118 0.000 1.357 364 I CB -0.767 37.278 38.000 0.075 0.000 1.051 364 I HN 0.382 nan 8.210 nan 0.000 0.409 365 A N 0.572 123.473 122.820 0.135 0.000 1.902 365 A HA -0.265 4.061 4.320 0.009 0.000 0.217 365 A C 2.258 179.901 177.584 0.097 0.000 1.181 365 A CA 1.556 53.668 52.037 0.126 0.000 0.623 365 A CB -1.016 18.075 19.000 0.152 0.000 0.818 365 A HN 0.483 nan 8.150 nan 0.000 0.443 366 F N 0.573 120.525 119.950 0.004 0.000 2.134 366 F HA -0.128 4.404 4.527 0.009 0.000 0.299 366 F C 1.853 177.635 175.800 -0.029 0.000 1.097 366 F CA 1.736 59.723 58.000 -0.022 0.000 1.264 366 F CB -0.244 38.727 39.000 -0.049 0.000 1.001 366 F HN 0.137 nan 8.300 nan 0.000 0.479 367 L N 0.006 121.235 121.223 0.010 0.000 2.083 367 L HA -0.183 4.163 4.340 0.009 0.000 0.209 367 L C 2.370 179.151 176.870 -0.148 0.000 1.083 367 L CA 1.622 56.406 54.840 -0.094 0.000 0.752 367 L CB -0.707 41.405 42.059 0.089 0.000 0.899 367 L HN 0.210 nan 8.230 nan 0.000 0.433 368 E N -0.083 120.068 120.200 -0.082 0.000 2.028 368 E HA -0.185 4.170 4.350 0.009 0.000 0.190 368 E C 1.772 178.287 176.600 -0.141 0.000 0.984 368 E CA 1.253 57.603 56.400 -0.083 0.000 0.800 368 E CB 0.012 29.688 29.700 -0.040 0.000 0.758 368 E HN 0.428 nan 8.360 nan 0.000 0.448 369 D N 0.323 120.627 120.400 -0.159 0.000 2.117 369 D HA -0.116 4.530 4.640 0.009 0.000 0.198 369 D C 1.797 177.957 176.300 -0.233 0.000 0.982 369 D CA 1.042 54.933 54.000 -0.182 0.000 0.828 369 D CB 0.024 40.748 40.800 -0.126 0.000 0.967 369 D HN 0.119 nan 8.370 nan 0.000 0.464 370 E N -0.312 119.649 120.200 -0.397 0.000 2.290 370 E HA 0.150 4.506 4.350 0.009 0.000 0.197 370 E C 2.030 178.366 176.600 -0.441 0.000 0.948 370 E CA 0.094 56.215 56.400 -0.465 0.000 0.895 370 E CB 0.322 29.538 29.700 -0.806 0.000 0.865 370 E HN 0.273 nan 8.360 nan 0.000 0.486 371 L N 0.729 121.667 121.223 -0.475 0.000 2.640 371 L HA 0.172 4.517 4.340 0.009 0.000 0.230 371 L C -0.045 176.711 176.870 -0.190 0.000 1.123 371 L CA -0.111 54.543 54.840 -0.309 0.000 0.900 371 L CB 0.195 42.077 42.059 -0.294 0.000 1.146 371 L HN -0.142 nan 8.230 nan 0.000 0.484 372 K N 0.227 120.521 120.400 -0.176 0.000 3.069 372 K HA -0.178 4.147 4.320 0.009 0.000 0.267 372 K C -0.289 176.276 176.600 -0.059 0.000 1.082 372 K CA 0.499 56.720 56.287 -0.110 0.000 0.782 372 K CB -2.082 30.362 32.500 -0.093 0.000 1.230 372 K HN 0.141 nan 8.250 nan 0.000 0.488 373 L N 0.948 122.145 121.223 -0.044 0.000 2.452 373 L HA 0.115 4.461 4.340 0.009 0.000 0.267 373 L C 1.373 178.261 176.870 0.030 0.000 1.188 373 L CA 0.420 55.286 54.840 0.043 0.000 0.821 373 L CB 0.813 42.925 42.059 0.088 0.000 1.102 373 L HN 0.313 nan 8.230 nan 0.000 0.470 374 S N 2.389 118.117 115.700 0.046 0.000 2.584 374 S HA 0.131 4.607 4.470 0.009 0.000 0.270 374 S C 1.242 175.820 174.600 -0.038 0.000 1.346 374 S CA -0.210 57.959 58.200 -0.051 0.000 1.018 374 S CB 0.468 63.562 63.200 -0.177 0.000 0.899 374 S HN 0.664 nan 8.310 nan 0.000 0.542 375 R N 1.318 121.776 120.500 -0.071 0.000 2.091 375 R HA -0.147 4.198 4.340 0.009 0.000 0.238 375 R C 2.308 178.578 176.300 -0.050 0.000 1.136 375 R CA 1.806 57.869 56.100 -0.060 0.000 0.959 375 R CB -0.388 29.855 30.300 -0.096 0.000 0.856 375 R HN 0.854 nan 8.270 nan 0.000 0.437 376 K N -0.359 119.979 120.400 -0.103 0.000 2.009 376 K HA -0.228 4.098 4.320 0.009 0.000 0.210 376 K C 1.842 178.447 176.600 0.008 0.000 1.049 376 K CA 2.194 58.421 56.287 -0.101 0.000 0.929 376 K CB -0.269 32.117 32.500 -0.190 0.000 0.714 376 K HN 0.489 nan 8.250 nan 0.000 0.440 377 H N -0.748 118.355 119.070 0.055 0.000 2.387 377 H HA -0.076 4.485 4.556 0.009 0.000 0.299 377 H C 2.061 177.530 175.328 0.236 0.000 1.090 377 H CA 0.796 56.935 56.048 0.152 0.000 1.332 377 H CB 0.048 29.936 29.762 0.211 0.000 1.386 377 H HN 0.412 nan 8.280 nan 0.000 0.516 378 A N 0.568 123.549 122.820 0.270 0.000 1.898 378 A HA -0.126 4.199 4.320 0.009 0.000 0.216 378 A C 2.574 180.270 177.584 0.187 0.000 1.181 378 A CA 1.445 53.614 52.037 0.221 0.000 0.620 378 A CB -0.718 18.353 19.000 0.119 0.000 0.819 378 A HN 0.208 nan 8.150 nan 0.000 0.442 379 V N 0.067 120.043 119.914 0.104 0.000 2.358 379 V HA -0.227 3.899 4.120 0.009 0.000 0.246 379 V C 2.552 178.683 176.094 0.060 0.000 1.047 379 V CA 1.858 64.190 62.300 0.054 0.000 1.035 379 V CB -0.704 31.109 31.823 -0.016 0.000 0.658 379 V HN 0.552 nan 8.190 nan 0.000 0.452 380 L N -1.970 119.282 121.223 0.047 0.000 2.056 380 L HA -0.156 4.190 4.340 0.009 0.000 0.207 380 L C 2.400 179.249 176.870 -0.036 0.000 1.078 380 L CA 1.835 56.650 54.840 -0.042 0.000 0.749 380 L CB -0.466 41.521 42.059 -0.119 0.000 0.901 380 L HN 0.376 nan 8.230 nan 0.000 0.433 381 W N 0.104 121.456 121.300 0.086 0.000 2.388 381 W HA -0.165 4.500 4.660 0.009 0.000 0.294 381 W C 2.694 179.285 176.519 0.120 0.000 1.212 381 W CA 1.314 58.718 57.345 0.099 0.000 1.271 381 W CB -0.482 29.041 29.460 0.105 0.000 1.126 381 W HN 0.015 nan 8.180 nan 0.000 0.535 382 T N 0.109 114.863 114.554 0.334 0.000 2.708 382 T HA -0.232 4.123 4.350 0.009 0.000 0.266 382 T C 1.959 176.781 174.700 0.203 0.000 1.037 382 T CA 1.846 64.094 62.100 0.246 0.000 1.146 382 T CB -0.796 68.177 68.868 0.176 0.000 0.865 382 T HN 0.193 nan 8.240 nan 0.000 0.435 383 A N 1.433 124.337 122.820 0.141 0.000 1.908 383 A HA 0.102 4.428 4.320 0.009 0.000 0.218 383 A C 2.641 180.338 177.584 0.188 0.000 1.181 383 A CA 1.938 54.041 52.037 0.110 0.000 0.627 383 A CB -1.117 17.892 19.000 0.015 0.000 0.818 383 A HN 0.516 nan 8.150 nan 0.000 0.445 384 A N -0.068 122.858 122.820 0.175 0.000 1.902 384 A HA -0.089 4.237 4.320 0.009 0.000 0.217 384 A C 2.119 179.925 177.584 0.371 0.000 1.181 384 A CA 1.584 53.764 52.037 0.239 0.000 0.623 384 A CB -0.598 18.460 19.000 0.097 0.000 0.818 384 A HN 0.514 nan 8.150 nan 0.000 0.443 385 I N -0.612 120.166 120.570 0.347 0.000 2.252 385 I HA -0.179 3.997 4.170 0.009 0.000 0.245 385 I C 2.310 178.652 176.117 0.375 0.000 1.102 385 I CA 0.935 62.444 61.300 0.349 0.000 1.385 385 I CB -0.328 37.847 38.000 0.293 0.000 1.064 385 I HN 0.140 nan 8.210 nan 0.000 0.414 386 V N 0.750 120.858 119.914 0.324 0.000 2.307 386 V HA -0.296 3.830 4.120 0.009 0.000 0.245 386 V C 2.299 178.626 176.094 0.388 0.000 1.045 386 V CA 1.940 64.424 62.300 0.307 0.000 1.024 386 V CB -0.703 31.266 31.823 0.243 0.000 0.651 386 V HN 0.364 nan 8.190 nan 0.000 0.449 387 F N 0.650 120.767 119.950 0.280 0.000 2.075 387 F HA -0.240 4.293 4.527 0.009 0.000 0.297 387 F C 2.153 178.236 175.800 0.472 0.000 1.113 387 F CA 1.958 60.164 58.000 0.343 0.000 1.218 387 F CB -0.629 38.497 39.000 0.210 0.000 0.984 387 F HN 0.198 nan 8.300 nan 0.000 0.472 388 F N 0.844 120.935 119.950 0.236 0.000 2.069 388 F HA -0.205 4.327 4.527 0.010 0.000 0.298 388 F C 2.470 178.342 175.800 0.121 0.000 1.113 388 F CA 2.207 60.272 58.000 0.108 0.000 1.214 388 F CB -1.046 38.033 39.000 0.131 0.000 0.978 388 F HN -0.052 nan 8.300 nan 0.000 0.474 389 S N 0.509 116.262 115.700 0.089 0.000 2.399 389 S HA -0.124 4.352 4.470 0.009 0.000 0.231 389 S C 2.216 176.734 174.600 -0.136 0.000 1.022 389 S CA 0.876 59.051 58.200 -0.041 0.000 0.983 389 S CB -0.815 62.593 63.200 0.346 0.000 0.803 389 S HN 0.562 nan 8.310 nan 0.000 0.480 390 A N 0.968 123.742 122.820 -0.076 0.000 2.070 390 A HA -0.119 4.207 4.320 0.009 0.000 0.220 390 A C 1.578 178.891 177.584 -0.453 0.000 1.159 390 A CA 1.299 53.189 52.037 -0.244 0.000 0.656 390 A CB -0.744 18.101 19.000 -0.257 0.000 0.800 390 A HN 0.535 nan 8.150 nan 0.000 0.453 391 H N -1.239 117.586 119.070 -0.408 0.000 2.457 391 H HA -0.092 4.470 4.556 0.010 0.000 0.297 391 H C 1.799 177.037 175.328 -0.149 0.000 1.092 391 H CA 1.468 57.371 56.048 -0.241 0.000 1.309 391 H CB -0.098 29.489 29.762 -0.292 0.000 1.382 391 H HN 0.416 nan 8.280 nan 0.000 0.535 392 L N -0.084 121.030 121.223 -0.181 0.000 2.056 392 L HA -0.114 4.232 4.340 0.009 0.000 0.207 392 L C 2.034 178.850 176.870 -0.090 0.000 1.078 392 L CA 1.201 55.955 54.840 -0.143 0.000 0.749 392 L CB -0.425 41.500 42.059 -0.223 0.000 0.901 392 L HN 0.115 nan 8.230 nan 0.000 0.433 393 V N -0.785 119.042 119.914 -0.146 0.000 2.548 393 V HA -0.239 3.886 4.120 0.009 0.000 0.249 393 V C 2.454 178.411 176.094 -0.229 0.000 1.055 393 V CA 1.692 63.923 62.300 -0.114 0.000 1.065 393 V CB -0.458 31.336 31.823 -0.048 0.000 0.681 393 V HN 0.412 nan 8.190 nan 0.000 0.462 394 M N -1.550 117.738 119.600 -0.521 0.000 2.319 394 M HA -0.018 4.468 4.480 0.009 0.000 0.265 394 M C 1.621 177.544 176.300 -0.629 0.000 1.068 394 M CA 1.982 56.821 55.300 -0.769 0.000 1.118 394 M CB -0.087 31.844 32.600 -1.114 0.000 1.395 394 M HN 0.345 nan 8.290 nan 0.000 0.435 395 F N -1.353 118.494 119.950 -0.172 0.000 2.752 395 F HA 0.262 4.795 4.527 0.010 0.000 0.310 395 F C 0.247 175.992 175.800 -0.091 0.000 1.097 395 F CA -0.444 57.488 58.000 -0.114 0.000 1.238 395 F CB 0.588 39.525 39.000 -0.104 0.000 1.061 395 F HN -0.103 nan 8.300 nan 0.000 0.591 396 L N 1.410 122.667 121.223 0.056 0.000 2.276 396 L HA 0.418 4.764 4.340 0.009 0.000 0.286 396 L C -0.150 176.704 176.870 -0.027 0.000 1.024 396 L CA -0.653 54.192 54.840 0.008 0.000 0.826 396 L CB 0.239 42.299 42.059 0.001 0.000 1.211 396 L HN -0.095 nan 8.230 nan 0.000 0.422 397 N N 4.524 123.190 118.700 -0.056 0.000 2.412 397 N HA 0.039 4.785 4.740 0.009 0.000 0.258 397 N C 0.260 175.731 175.510 -0.065 0.000 1.236 397 N CA 0.607 53.614 53.050 -0.073 0.000 0.882 397 N CB 0.362 38.783 38.487 -0.111 0.000 1.066 397 N HN 0.462 nan 8.380 nan 0.000 0.465 398 K N 0.155 120.535 120.400 -0.033 0.000 3.553 398 K HA -0.202 4.124 4.320 0.009 0.000 0.303 398 K C 1.163 177.762 176.600 -0.002 0.000 1.327 398 K CA 1.097 57.371 56.287 -0.022 0.000 0.983 398 K CB -2.132 30.336 32.500 -0.054 0.000 1.275 398 K HN 0.530 nan 8.250 nan 0.000 0.453 399 S N 0.611 116.316 115.700 0.009 0.000 2.382 399 S HA 0.003 4.479 4.470 0.009 0.000 0.228 399 S C 1.801 176.425 174.600 0.039 0.000 1.027 399 S CA 1.353 59.575 58.200 0.037 0.000 0.991 399 S CB -0.026 63.194 63.200 0.033 0.000 0.823 399 S HN 0.432 nan 8.310 nan 0.000 0.469 400 L N 1.229 122.472 121.223 0.034 0.000 2.012 400 L HA -0.188 4.158 4.340 0.009 0.000 0.210 400 L C 1.809 178.595 176.870 -0.139 0.000 1.073 400 L CA 2.459 57.290 54.840 -0.015 0.000 0.748 400 L CB -0.658 41.460 42.059 0.099 0.000 0.891 400 L HN 0.270 nan 8.230 nan 0.000 0.431 401 D N -0.555 119.818 120.400 -0.044 0.000 2.123 401 D HA -0.247 4.399 4.640 0.009 0.000 0.196 401 D C 2.043 178.327 176.300 -0.026 0.000 0.992 401 D CA 1.355 55.323 54.000 -0.053 0.000 0.833 401 D CB -0.084 40.698 40.800 -0.029 0.000 0.954 401 D HN 0.378 nan 8.370 nan 0.000 0.455 402 E N 0.019 120.236 120.200 0.029 0.000 2.072 402 E HA -0.095 4.261 4.350 0.009 0.000 0.191 402 E C 1.991 178.753 176.600 0.271 0.000 0.985 402 E CA 0.946 57.439 56.400 0.155 0.000 0.801 402 E CB -0.094 29.722 29.700 0.193 0.000 0.750 402 E HN 0.245 nan 8.360 nan 0.000 0.452 403 M N 0.003 119.693 119.600 0.150 0.000 2.117 403 M HA -0.132 4.354 4.480 0.009 0.000 0.262 403 M C 1.939 178.285 176.300 0.077 0.000 1.065 403 M CA 1.903 57.305 55.300 0.170 0.000 1.114 403 M CB -0.325 32.377 32.600 0.170 0.000 1.361 403 M HN 0.096 nan 8.290 nan 0.000 0.408 404 D N 0.127 120.356 120.400 -0.285 0.000 2.178 404 D HA -0.189 4.456 4.640 0.009 0.000 0.201 404 D C 1.662 178.016 176.300 0.091 0.000 0.980 404 D CA 1.052 54.934 54.000 -0.197 0.000 0.842 404 D CB 0.019 40.589 40.800 -0.383 0.000 0.948 404 D HN 0.273 nan 8.370 nan 0.000 0.472 405 F N -0.550 119.346 119.950 -0.090 0.000 2.074 405 F HA -0.013 4.519 4.527 0.009 0.000 0.293 405 F C 1.601 177.303 175.800 -0.163 0.000 1.116 405 F CA 1.421 59.309 58.000 -0.186 0.000 1.212 405 F CB -0.699 38.052 39.000 -0.413 0.000 0.998 405 F HN 0.024 nan 8.300 nan 0.000 0.471 406 W N 0.138 121.445 121.300 0.012 0.000 2.381 406 W HA -0.025 4.641 4.660 0.010 0.000 0.301 406 W C 2.523 179.064 176.519 0.036 0.000 1.205 406 W CA 1.546 58.871 57.345 -0.034 0.000 1.285 406 W CB -0.797 28.814 29.460 0.252 0.000 1.133 406 W HN 0.126 nan 8.180 nan 0.000 0.521 407 A N -0.298 122.672 122.820 0.250 0.000 1.887 407 A HA 0.205 4.530 4.320 0.009 0.000 0.210 407 A C 2.141 179.754 177.584 0.050 0.000 1.221 407 A CA 1.261 53.355 52.037 0.096 0.000 0.635 407 A CB -1.327 17.581 19.000 -0.152 0.000 0.881 407 A HN 0.223 nan 8.150 nan 0.000 0.456 408 G N -1.597 107.319 108.800 0.194 0.000 2.650 408 G HA2 0.205 4.171 3.960 0.009 0.000 0.214 408 G HA3 0.205 4.171 3.960 0.009 0.000 0.214 408 G C 1.150 176.208 174.900 0.265 0.000 1.136 408 G CA 1.607 46.908 45.100 0.335 0.000 0.789 408 G HN 0.453 nan 8.290 nan 0.000 0.536 409 T N 0.414 115.004 114.554 0.060 0.000 3.397 409 T HA 0.183 4.538 4.350 0.009 0.000 0.233 409 T C 2.201 176.773 174.700 -0.214 0.000 0.969 409 T CA -0.059 62.059 62.100 0.030 0.000 1.316 409 T CB -0.005 68.900 68.868 0.062 0.000 1.175 409 T HN -0.058 nan 8.240 nan 0.000 0.381 410 I N 2.267 122.491 120.570 -0.577 0.000 2.179 410 I HA -0.049 4.126 4.170 0.009 0.000 0.242 410 I C 2.885 178.794 176.117 -0.347 0.000 1.088 410 I CA 1.779 62.645 61.300 -0.725 0.000 1.357 410 I CB -1.909 35.538 38.000 -0.920 0.000 1.051 410 I HN 0.411 nan 8.210 nan 0.000 0.409 411 G N 1.534 110.241 108.800 -0.155 0.000 2.446 411 G HA2 -0.220 3.746 3.960 0.009 0.000 0.217 411 G HA3 -0.220 3.746 3.960 0.009 0.000 0.217 411 G C 1.825 176.735 174.900 0.017 0.000 1.168 411 G CA 1.849 46.980 45.100 0.050 0.000 0.771 411 G HN 0.394 nan 8.290 nan 0.000 0.551 412 V N -0.967 118.849 119.914 -0.163 0.000 2.427 412 V HA -0.114 4.012 4.120 0.009 0.000 0.248 412 V C 2.694 178.591 176.094 -0.327 0.000 1.051 412 V CA 1.797 63.961 62.300 -0.228 0.000 1.048 412 V CB -0.793 30.759 31.823 -0.451 0.000 0.666 412 V HN 0.162 nan 8.190 nan 0.000 0.456 413 V N 0.120 119.689 119.914 -0.574 0.000 2.323 413 V HA -0.150 3.975 4.120 0.009 0.000 0.244 413 V C 2.367 178.287 176.094 -0.289 0.000 1.041 413 V CA 2.374 64.170 62.300 -0.840 0.000 1.025 413 V CB -0.989 30.487 31.823 -0.579 0.000 0.656 413 V HN 0.606 nan 8.190 nan 0.000 0.451 414 F N 0.535 120.315 119.950 -0.282 0.000 2.126 414 F HA -0.250 4.283 4.527 0.009 0.000 0.299 414 F C 2.062 177.819 175.800 -0.072 0.000 1.096 414 F CA 1.892 59.781 58.000 -0.185 0.000 1.255 414 F CB -0.471 38.387 39.000 -0.237 0.000 0.997 414 F HN 0.173 nan 8.300 nan 0.000 0.479 415 F N 1.052 120.846 119.950 -0.260 0.000 2.259 415 F HA 0.112 4.645 4.527 0.009 0.000 0.298 415 F C 2.382 178.119 175.800 -0.106 0.000 1.088 415 F CA 1.307 59.165 58.000 -0.237 0.000 1.358 415 F CB -1.052 37.956 39.000 0.015 0.000 1.040 415 F HN 0.019 nan 8.300 nan 0.000 0.505 416 G N 0.343 109.167 108.800 0.040 0.000 2.418 416 G HA2 -0.276 3.690 3.960 0.009 0.000 0.217 416 G HA3 -0.276 3.690 3.960 0.009 0.000 0.217 416 G C 1.617 176.481 174.900 -0.059 0.000 1.158 416 G CA 0.956 46.143 45.100 0.145 0.000 0.771 416 G HN 0.383 nan 8.290 nan 0.000 0.545 417 L N 1.014 122.159 121.223 -0.130 0.000 2.046 417 L HA 0.012 4.358 4.340 0.009 0.000 0.208 417 L C 2.899 179.538 176.870 -0.385 0.000 1.077 417 L CA 2.449 57.153 54.840 -0.227 0.000 0.747 417 L CB -0.975 40.966 42.059 -0.197 0.000 0.896 417 L HN 0.185 nan 8.230 nan 0.000 0.432 418 T N 0.172 114.417 114.554 -0.515 0.000 2.674 418 T HA -0.213 4.142 4.350 0.009 0.000 0.265 418 T C 1.593 175.965 174.700 -0.547 0.000 1.039 418 T CA 1.721 63.483 62.100 -0.563 0.000 1.150 418 T CB -0.293 68.175 68.868 -0.667 0.000 0.864 418 T HN 0.691 nan 8.240 nan 0.000 0.427 419 E N 1.157 121.025 120.200 -0.553 0.000 2.153 419 E HA -0.090 4.265 4.350 0.009 0.000 0.194 419 E C 2.313 178.756 176.600 -0.262 0.000 0.988 419 E CA 0.872 57.005 56.400 -0.445 0.000 0.811 419 E CB -0.576 28.941 29.700 -0.305 0.000 0.746 419 E HN 0.417 nan 8.360 nan 0.000 0.466 420 L N 0.814 121.890 121.223 -0.245 0.000 2.056 420 L HA -0.080 4.266 4.340 0.009 0.000 0.207 420 L C 2.487 179.167 176.870 -0.316 0.000 1.078 420 L CA 1.064 55.792 54.840 -0.188 0.000 0.749 420 L CB -0.080 41.832 42.059 -0.245 0.000 0.901 420 L HN 0.143 nan 8.230 nan 0.000 0.433 421 I N -0.168 120.091 120.570 -0.518 0.000 2.226 421 I HA -0.349 3.826 4.170 0.009 0.000 0.245 421 I C 2.376 178.315 176.117 -0.297 0.000 1.100 421 I CA 1.547 62.463 61.300 -0.640 0.000 1.374 421 I CB -0.260 37.399 38.000 -0.568 0.000 1.057 421 I HN 0.269 nan 8.210 nan 0.000 0.413 422 I N -0.290 120.099 120.570 -0.303 0.000 2.252 422 I HA -0.304 3.872 4.170 0.009 0.000 0.245 422 I C 2.477 178.589 176.117 -0.009 0.000 1.102 422 I CA 1.490 62.644 61.300 -0.244 0.000 1.385 422 I CB -0.327 37.394 38.000 -0.465 0.000 1.064 422 I HN 0.169 nan 8.210 nan 0.000 0.414 423 F N 0.629 120.501 119.950 -0.131 0.000 2.149 423 F HA -0.100 4.432 4.527 0.009 0.000 0.294 423 F C 2.020 177.906 175.800 0.144 0.000 1.095 423 F CA 1.423 59.427 58.000 0.007 0.000 1.276 423 F CB -0.318 38.694 39.000 0.020 0.000 1.023 423 F HN -0.123 nan 8.300 nan 0.000 0.480 424 F N -2.151 117.778 119.950 -0.036 0.000 2.754 424 F HA 0.018 4.551 4.527 0.010 0.000 0.297 424 F C 1.106 177.013 175.800 0.177 0.000 1.122 424 F CA 0.356 58.322 58.000 -0.057 0.000 1.400 424 F CB -0.038 38.920 39.000 -0.071 0.000 1.117 424 F HN -0.031 nan 8.300 nan 0.000 0.587 425 W N -0.849 120.412 121.300 -0.065 0.000 3.127 425 W HA 0.291 4.957 4.660 0.009 0.000 0.248 425 W C 2.038 178.446 176.519 -0.184 0.000 1.058 425 W CA -0.029 57.237 57.345 -0.131 0.000 1.783 425 W CB -0.936 28.450 29.460 -0.124 0.000 1.030 425 W HN -0.218 nan 8.180 nan 0.000 0.653 426 I N -0.632 119.956 120.570 0.030 0.000 2.296 426 I HA -0.216 3.960 4.170 0.009 0.000 0.242 426 I C 2.335 178.420 176.117 -0.054 0.000 1.087 426 I CA 1.282 62.494 61.300 -0.146 0.000 1.393 426 I CB -0.771 36.962 38.000 -0.444 0.000 1.093 426 I HN -0.202 nan 8.210 nan 0.000 0.421 427 F N 1.942 121.803 119.950 -0.148 0.000 2.171 427 F HA 0.119 4.652 4.527 0.009 0.000 0.300 427 F C 1.035 176.711 175.800 -0.207 0.000 1.090 427 F CA 1.171 59.084 58.000 -0.146 0.000 1.293 427 F CB -0.177 38.729 39.000 -0.157 0.000 1.013 427 F HN 0.097 nan 8.300 nan 0.000 0.486 428 G N -0.870 107.733 108.800 -0.328 0.000 3.162 428 G HA2 0.312 4.278 3.960 0.009 0.000 0.599 428 G HA3 0.312 4.278 3.960 0.009 0.000 0.599 428 G C 0.337 174.930 174.900 -0.511 0.000 1.335 428 G CA -0.425 44.419 45.100 -0.426 0.000 1.091 428 G HN 0.601 nan 8.290 nan 0.000 0.570 429 A N 1.733 124.296 122.820 -0.429 0.000 1.892 429 A HA -0.050 4.276 4.320 0.009 0.000 0.218 429 A C 2.051 179.338 177.584 -0.495 0.000 1.188 429 A CA 2.581 54.217 52.037 -0.668 0.000 0.631 429 A CB -0.286 18.525 19.000 -0.316 0.000 0.822 429 A HN 0.688 nan 8.150 nan 0.000 0.447 430 D N -0.408 119.860 120.400 -0.220 0.000 2.144 430 D HA -0.095 4.551 4.640 0.009 0.000 0.200 430 D C 1.933 178.151 176.300 -0.137 0.000 0.978 430 D CA 1.347 55.295 54.000 -0.087 0.000 0.833 430 D CB -0.257 40.485 40.800 -0.096 0.000 0.961 430 D HN 0.538 nan 8.370 nan 0.000 0.470 431 K N 0.952 121.164 120.400 -0.312 0.000 2.057 431 K HA -0.015 4.310 4.320 0.009 0.000 0.206 431 K C 2.200 178.659 176.600 -0.236 0.000 1.050 431 K CA 1.021 57.107 56.287 -0.335 0.000 0.935 431 K CB -0.013 32.043 32.500 -0.740 0.000 0.715 431 K HN -0.007 nan 8.250 nan 0.000 0.439 432 A N 1.665 124.188 122.820 -0.495 0.000 1.877 432 A HA -0.189 4.136 4.320 0.009 0.000 0.216 432 A C 1.950 179.394 177.584 -0.234 0.000 1.186 432 A CA 1.076 52.645 52.037 -0.779 0.000 0.620 432 A CB -1.033 16.989 19.000 -1.630 0.000 0.822 432 A HN 0.600 nan 8.150 nan 0.000 0.443 433 W N 0.780 121.849 121.300 -0.385 0.000 2.335 433 W HA -0.245 4.420 4.660 0.009 0.000 0.311 433 W C 1.927 178.439 176.519 -0.012 0.000 1.213 433 W CA 2.352 59.678 57.345 -0.031 0.000 1.274 433 W CB -0.114 29.403 29.460 0.095 0.000 1.148 433 W HN 0.514 nan 8.180 nan 0.000 0.498 434 E N 0.769 120.985 120.200 0.026 0.000 2.106 434 E HA -0.274 4.082 4.350 0.009 0.000 0.192 434 E C 1.886 178.463 176.600 -0.039 0.000 0.984 434 E CA 1.952 58.326 56.400 -0.043 0.000 0.806 434 E CB -0.396 29.310 29.700 0.010 0.000 0.750 434 E HN 0.157 nan 8.360 nan 0.000 0.458 435 E N 0.142 120.368 120.200 0.044 0.000 2.106 435 E HA -0.110 4.245 4.350 0.009 0.000 0.192 435 E C 1.879 178.544 176.600 0.109 0.000 0.984 435 E CA 1.313 57.800 56.400 0.145 0.000 0.806 435 E CB -0.267 29.603 29.700 0.284 0.000 0.750 435 E HN 0.420 nan 8.360 nan 0.000 0.458 436 I N 0.747 121.356 120.570 0.065 0.000 2.179 436 I HA -0.269 3.906 4.170 0.009 0.000 0.242 436 I C 1.986 177.969 176.117 -0.224 0.000 1.088 436 I CA 1.171 62.448 61.300 -0.038 0.000 1.357 436 I CB -0.355 37.590 38.000 -0.092 0.000 1.051 436 I HN 0.155 nan 8.210 nan 0.000 0.409 437 N N 0.763 119.245 118.700 -0.363 0.000 2.409 437 N HA -0.079 4.667 4.740 0.009 0.000 0.179 437 N C 0.909 176.296 175.510 -0.205 0.000 1.032 437 N CA 0.196 53.014 53.050 -0.388 0.000 0.898 437 N CB -0.107 38.062 38.487 -0.530 0.000 0.971 437 N HN 0.268 nan 8.380 nan 0.000 0.441 438 R N 0.733 121.163 120.500 -0.117 0.000 2.486 438 R HA 0.010 4.355 4.340 0.009 0.000 0.303 438 R C 0.872 177.152 176.300 -0.033 0.000 0.958 438 R CA 1.023 57.095 56.100 -0.047 0.000 1.077 438 R CB -0.187 30.121 30.300 0.013 0.000 0.921 438 R HN 0.330 nan 8.270 nan 0.000 0.406 439 G N 2.582 111.361 108.800 -0.035 0.000 2.179 439 G HA2 -0.268 3.698 3.960 0.009 0.000 0.260 439 G HA3 -0.268 3.698 3.960 0.009 0.000 0.260 439 G C 0.403 175.277 174.900 -0.042 0.000 0.977 439 G CA -0.033 45.054 45.100 -0.022 0.000 0.641 439 G HN 0.950 nan 8.290 nan 0.000 0.533 440 G N -0.259 108.490 108.800 -0.085 0.000 2.313 440 G HA2 0.433 4.399 3.960 0.009 0.000 0.250 440 G HA3 0.433 4.399 3.960 0.009 0.000 0.250 440 G C 1.233 176.081 174.900 -0.087 0.000 1.281 440 G CA 0.087 45.117 45.100 -0.116 0.000 0.917 440 G HN 0.461 nan 8.290 nan 0.000 0.501 441 I N 1.894 122.422 120.570 -0.071 0.000 2.361 441 I HA -0.033 4.143 4.170 0.009 0.000 0.251 441 I C 1.281 177.362 176.117 -0.059 0.000 1.133 441 I CA 1.101 62.370 61.300 -0.051 0.000 1.413 441 I CB -0.301 37.675 38.000 -0.039 0.000 1.073 441 I HN 0.542 nan 8.210 nan 0.000 0.424 442 I N -2.797 117.722 120.570 -0.085 0.000 3.002 442 I HA 0.456 4.632 4.170 0.009 0.000 0.310 442 I C -0.694 175.329 176.117 -0.156 0.000 1.087 442 I CA -1.028 60.218 61.300 -0.089 0.000 1.017 442 I CB 1.880 39.843 38.000 -0.062 0.000 1.226 442 I HN -0.227 nan 8.210 nan 0.000 0.443 443 K N 2.160 122.472 120.400 -0.147 0.000 2.098 443 K HA 0.545 4.870 4.320 0.009 0.000 0.258 443 K C -0.893 175.544 176.600 -0.272 0.000 0.973 443 K CA -0.882 55.272 56.287 -0.221 0.000 0.898 443 K CB 2.365 34.788 32.500 -0.128 0.000 1.057 443 K HN 0.411 nan 8.250 nan 0.000 0.447 444 V N 4.127 123.753 119.914 -0.479 0.000 2.572 444 V HA 0.042 4.168 4.120 0.009 0.000 0.291 444 V C -2.040 174.073 176.094 0.031 0.000 1.039 444 V CA -1.417 60.587 62.300 -0.495 0.000 1.055 444 V CB 0.263 31.556 31.823 -0.883 0.000 0.969 444 V HN 0.658 nan 8.190 nan 0.000 0.482 445 P HA 0.004 nan 4.420 nan 0.000 0.261 445 P C 0.867 178.425 177.300 0.429 0.000 1.173 445 P CA 0.202 63.484 63.100 0.303 0.000 0.760 445 P CB 0.372 32.285 31.700 0.356 0.000 0.783 446 R N 3.222 123.916 120.500 0.323 0.000 2.117 446 R HA -0.208 4.137 4.340 0.009 0.000 0.243 446 R C 1.805 178.242 176.300 0.229 0.000 1.143 446 R CA 1.472 57.734 56.100 0.270 0.000 0.968 446 R CB -0.589 29.811 30.300 0.168 0.000 0.863 446 R HN 0.389 nan 8.270 nan 0.000 0.444 447 I N 0.369 121.076 120.570 0.228 0.000 2.335 447 I HA -0.272 3.903 4.170 0.009 0.000 0.251 447 I C 1.271 177.499 176.117 0.186 0.000 1.129 447 I CA 1.505 62.923 61.300 0.196 0.000 1.402 447 I CB -0.263 37.752 38.000 0.026 0.000 1.069 447 I HN 0.219 nan 8.210 nan 0.000 0.424 448 Y N -1.474 118.975 120.300 0.247 0.000 2.574 448 Y HA -0.258 4.298 4.550 0.009 0.000 0.294 448 Y C 2.173 178.158 175.900 0.141 0.000 1.142 448 Y CA 1.302 59.551 58.100 0.249 0.000 1.314 448 Y CB -0.401 38.293 38.460 0.390 0.000 0.991 448 Y HN 0.351 nan 8.280 nan 0.000 0.555 449 Y N -0.943 119.258 120.300 -0.164 0.000 2.200 449 Y HA -0.311 4.245 4.550 0.009 0.000 0.290 449 Y C 1.428 177.084 175.900 -0.407 0.000 1.137 449 Y CA 1.597 59.301 58.100 -0.660 0.000 1.163 449 Y CB -0.563 36.989 38.460 -1.514 0.000 0.988 449 Y HN 0.113 nan 8.280 nan 0.000 0.518 450 Y N -1.481 118.855 120.300 0.060 0.000 2.395 450 Y HA -0.087 4.469 4.550 0.009 0.000 0.293 450 Y C 2.399 178.340 175.900 0.069 0.000 1.123 450 Y CA 1.005 59.186 58.100 0.136 0.000 1.227 450 Y CB -0.684 37.917 38.460 0.235 0.000 1.012 450 Y HN -0.048 nan 8.280 nan 0.000 0.552 451 V N 0.050 120.047 119.914 0.140 0.000 2.261 451 V HA -0.350 3.775 4.120 0.009 0.000 0.246 451 V C 2.232 178.307 176.094 -0.031 0.000 1.047 451 V CA 2.070 64.412 62.300 0.069 0.000 1.015 451 V CB -0.618 31.244 31.823 0.065 0.000 0.642 451 V HN 0.414 nan 8.190 nan 0.000 0.446 452 M N -0.693 118.809 119.600 -0.164 0.000 2.117 452 M HA -0.197 4.289 4.480 0.009 0.000 0.262 452 M C 2.455 178.398 176.300 -0.595 0.000 1.065 452 M CA 1.936 56.941 55.300 -0.491 0.000 1.114 452 M CB -0.439 31.596 32.600 -0.943 0.000 1.361 452 M HN 0.179 nan 8.290 nan 0.000 0.408 453 R N -0.805 119.350 120.500 -0.575 0.000 2.119 453 R HA -0.102 4.244 4.340 0.009 0.000 0.222 453 R C 1.199 177.330 176.300 -0.281 0.000 1.088 453 R CA 1.400 57.242 56.100 -0.430 0.000 0.984 453 R CB 0.260 30.064 30.300 -0.826 0.000 0.884 453 R HN 0.342 nan 8.270 nan 0.000 0.447 454 Y N -1.497 118.870 120.300 0.112 0.000 2.673 454 Y HA 0.179 4.734 4.550 0.009 0.000 0.278 454 Y C 1.879 177.856 175.900 0.129 0.000 1.127 454 Y CA -0.370 57.827 58.100 0.162 0.000 1.261 454 Y CB 0.112 38.647 38.460 0.124 0.000 1.412 454 Y HN -0.126 nan 8.280 nan 0.000 0.496 455 I N 0.068 120.773 120.570 0.225 0.000 2.193 455 I HA -0.170 4.006 4.170 0.009 0.000 0.240 455 I C 2.005 178.199 176.117 0.129 0.000 1.084 455 I CA 1.586 62.973 61.300 0.146 0.000 1.365 455 I CB -1.604 36.436 38.000 0.067 0.000 1.064 455 I HN 0.190 nan 8.210 nan 0.000 0.410 456 T N 2.879 117.469 114.554 0.060 0.000 2.652 456 T HA -0.086 4.269 4.350 0.009 0.000 0.267 456 T C -0.328 174.439 174.700 0.112 0.000 1.039 456 T CA 1.910 64.048 62.100 0.064 0.000 1.153 456 T CB -1.491 67.360 68.868 -0.027 0.000 0.863 456 T HN 0.287 nan 8.240 nan 0.000 0.428 457 P HA -0.034 nan 4.420 nan 0.000 0.215 457 P C 1.444 178.804 177.300 0.099 0.000 1.153 457 P CA 1.480 64.564 63.100 -0.026 0.000 0.853 457 P CB -0.188 31.420 31.700 -0.152 0.000 0.788 458 A N -0.779 122.151 122.820 0.183 0.000 1.930 458 A HA -0.158 4.167 4.320 0.009 0.000 0.217 458 A C 2.158 179.851 177.584 0.182 0.000 1.175 458 A CA 1.069 53.218 52.037 0.187 0.000 0.627 458 A CB -1.775 17.345 19.000 0.201 0.000 0.815 458 A HN 0.074 nan 8.150 nan 0.000 0.443 459 F N 0.722 120.704 119.950 0.054 0.000 2.069 459 F HA -0.168 4.364 4.527 0.009 0.000 0.298 459 F C 1.985 177.828 175.800 0.073 0.000 1.113 459 F CA 1.833 59.859 58.000 0.043 0.000 1.214 459 F CB -0.295 38.734 39.000 0.049 0.000 0.978 459 F HN 0.139 nan 8.300 nan 0.000 0.474 460 L N -0.586 120.751 121.223 0.191 0.000 2.056 460 L HA -0.166 4.180 4.340 0.009 0.000 0.207 460 L C 2.756 179.655 176.870 0.048 0.000 1.078 460 L CA 1.078 55.987 54.840 0.115 0.000 0.749 460 L CB -1.280 40.877 42.059 0.163 0.000 0.901 460 L HN 0.212 nan 8.230 nan 0.000 0.433 461 A N -0.071 122.780 122.820 0.053 0.000 1.877 461 A HA -0.155 4.171 4.320 0.009 0.000 0.216 461 A C 2.342 179.952 177.584 0.043 0.000 1.186 461 A CA 1.866 53.934 52.037 0.052 0.000 0.620 461 A CB -0.862 18.182 19.000 0.073 0.000 0.822 461 A HN 0.182 nan 8.150 nan 0.000 0.443 462 V N -0.253 119.670 119.914 0.014 0.000 2.295 462 V HA -0.247 3.879 4.120 0.009 0.000 0.246 462 V C 2.510 178.592 176.094 -0.019 0.000 1.049 462 V CA 1.970 64.263 62.300 -0.011 0.000 1.024 462 V CB -0.873 30.916 31.823 -0.055 0.000 0.648 462 V HN 0.605 nan 8.190 nan 0.000 0.447 463 L N -0.365 120.809 121.223 -0.081 0.000 2.013 463 L HA -0.200 4.146 4.340 0.009 0.000 0.212 463 L C 2.243 179.208 176.870 0.158 0.000 1.073 463 L CA 2.015 56.836 54.840 -0.030 0.000 0.753 463 L CB -0.418 41.587 42.059 -0.091 0.000 0.890 463 L HN 0.204 nan 8.230 nan 0.000 0.432 464 L N -1.798 119.512 121.223 0.144 0.000 2.083 464 L HA -0.198 4.148 4.340 0.009 0.000 0.209 464 L C 2.394 179.363 176.870 0.166 0.000 1.083 464 L CA 0.954 55.890 54.840 0.160 0.000 0.752 464 L CB -0.550 41.546 42.059 0.062 0.000 0.899 464 L HN 0.144 nan 8.230 nan 0.000 0.433 465 V N -0.814 119.176 119.914 0.127 0.000 2.307 465 V HA -0.234 3.891 4.120 0.009 0.000 0.245 465 V C 2.398 178.591 176.094 0.165 0.000 1.045 465 V CA 1.484 63.856 62.300 0.121 0.000 1.024 465 V CB -0.185 31.690 31.823 0.086 0.000 0.651 465 V HN 0.185 nan 8.190 nan 0.000 0.449 466 V N -1.026 118.991 119.914 0.172 0.000 2.343 466 V HA -0.260 3.865 4.120 0.009 0.000 0.247 466 V C 2.128 178.449 176.094 0.377 0.000 1.051 466 V CA 2.072 64.497 62.300 0.207 0.000 1.036 466 V CB -0.730 31.183 31.823 0.151 0.000 0.654 466 V HN 0.763 nan 8.190 nan 0.000 0.451 467 W N 1.229 122.629 121.300 0.167 0.000 2.335 467 W HA -0.238 4.428 4.660 0.011 0.000 0.311 467 W C 2.546 179.217 176.519 0.253 0.000 1.213 467 W CA 2.372 59.840 57.345 0.206 0.000 1.274 467 W CB -0.811 28.673 29.460 0.040 0.000 1.148 467 W HN 0.272 nan 8.180 nan 0.000 0.498 468 A N 0.489 123.554 122.820 0.408 0.000 1.930 468 A HA -0.158 4.168 4.320 0.009 0.000 0.217 468 A C 2.145 179.857 177.584 0.215 0.000 1.175 468 A CA 1.668 53.843 52.037 0.229 0.000 0.627 468 A CB -0.691 18.375 19.000 0.111 0.000 0.815 468 A HN 0.355 nan 8.150 nan 0.000 0.443 469 R N -0.627 119.991 120.500 0.196 0.000 2.073 469 R HA -0.037 4.308 4.340 0.009 0.000 0.229 469 R C 0.834 177.183 176.300 0.082 0.000 1.120 469 R CA 1.350 57.523 56.100 0.121 0.000 0.967 469 R CB -0.015 30.342 30.300 0.094 0.000 0.862 469 R HN 0.407 nan 8.270 nan 0.000 0.436 470 E N -1.380 118.864 120.200 0.074 0.000 2.583 470 E HA 0.076 4.432 4.350 0.009 0.000 0.213 470 E C 0.212 176.570 176.600 -0.403 0.000 0.989 470 E CA 0.284 56.574 56.400 -0.184 0.000 0.991 470 E CB 0.663 30.169 29.700 -0.324 0.000 1.040 470 E HN 0.386 nan 8.360 nan 0.000 0.481 471 Y N -0.596 119.798 120.300 0.156 0.000 2.820 471 Y HA 0.178 4.734 4.550 0.009 0.000 0.261 471 Y C 2.118 178.124 175.900 0.176 0.000 1.123 471 Y CA -0.142 58.059 58.100 0.167 0.000 1.217 471 Y CB -0.105 38.484 38.460 0.215 0.000 1.432 471 Y HN -0.068 nan 8.280 nan 0.000 0.461 472 I N -0.666 120.133 120.570 0.383 0.000 2.286 472 I HA -0.038 4.138 4.170 0.009 0.000 0.248 472 I C -1.083 175.115 176.117 0.134 0.000 1.115 472 I CA 0.885 62.329 61.300 0.240 0.000 1.392 472 I CB -1.595 36.529 38.000 0.207 0.000 1.065 472 I HN 0.000 nan 8.210 nan 0.000 0.418 473 P HA -0.142 nan 4.420 nan 0.000 0.217 473 P C 1.352 178.691 177.300 0.065 0.000 1.150 473 P CA 1.715 64.869 63.100 0.090 0.000 0.832 473 P CB -0.104 31.640 31.700 0.074 0.000 0.787 474 K N -0.381 120.048 120.400 0.049 0.000 2.074 474 K HA -0.135 4.191 4.320 0.009 0.000 0.209 474 K C 2.083 178.687 176.600 0.007 0.000 1.048 474 K CA 1.376 57.679 56.287 0.027 0.000 0.926 474 K CB -0.771 31.741 32.500 0.020 0.000 0.713 474 K HN 0.204 nan 8.250 nan 0.000 0.444 475 I N 0.754 121.310 120.570 -0.024 0.000 2.252 475 I HA -0.236 3.940 4.170 0.009 0.000 0.245 475 I C 2.444 178.531 176.117 -0.051 0.000 1.102 475 I CA 0.934 62.168 61.300 -0.110 0.000 1.385 475 I CB -0.299 37.517 38.000 -0.308 0.000 1.064 475 I HN 0.178 nan 8.210 nan 0.000 0.414 476 M N 0.124 119.739 119.600 0.026 0.000 2.175 476 M HA -0.200 4.286 4.480 0.009 0.000 0.264 476 M C 2.174 178.538 176.300 0.108 0.000 1.063 476 M CA 1.695 57.050 55.300 0.092 0.000 1.119 476 M CB -1.031 31.663 32.600 0.156 0.000 1.377 476 M HN 0.295 nan 8.290 nan 0.000 0.415 477 E N 0.147 120.399 120.200 0.088 0.000 2.190 477 E HA -0.077 4.279 4.350 0.009 0.000 0.191 477 E C 0.689 177.338 176.600 0.082 0.000 0.978 477 E CA 0.483 56.940 56.400 0.096 0.000 0.839 477 E CB 0.460 30.207 29.700 0.079 0.000 0.787 477 E HN 0.283 nan 8.360 nan 0.000 0.473 478 E N 1.472 121.703 120.200 0.052 0.000 2.405 478 E HA 0.076 4.431 4.350 0.009 0.000 0.214 478 E C -0.494 176.129 176.600 0.040 0.000 1.101 478 E CA 0.097 56.523 56.400 0.044 0.000 1.254 478 E CB 0.931 30.646 29.700 0.025 0.000 1.240 478 E HN 0.225 nan 8.360 nan 0.000 0.439 479 T N -2.677 111.909 114.554 0.053 0.000 2.932 479 T HA 0.253 4.609 4.350 0.009 0.000 0.289 479 T C 0.137 174.906 174.700 0.114 0.000 1.039 479 T CA -0.779 61.352 62.100 0.051 0.000 1.024 479 T CB 2.184 71.045 68.868 -0.011 0.000 1.090 479 T HN 0.119 nan 8.240 nan 0.000 0.496 480 H N 1.806 120.879 119.070 0.005 0.000 2.871 480 H HA -0.015 4.546 4.556 0.009 0.000 0.355 480 H C 1.116 176.468 175.328 0.040 0.000 1.092 480 H CA 0.110 56.160 56.048 0.003 0.000 1.420 480 H CB 0.566 30.259 29.762 -0.115 0.000 1.400 480 H HN 0.942 nan 8.280 nan 0.000 0.604 481 W N 4.151 125.261 121.300 -0.317 0.000 2.387 481 W HA -0.164 4.502 4.660 0.010 0.000 0.272 481 W C 1.139 177.750 176.519 0.153 0.000 1.224 481 W CA 1.231 58.572 57.345 -0.006 0.000 1.210 481 W CB -1.160 28.242 29.460 -0.098 0.000 1.125 481 W HN 0.548 nan 8.180 nan 0.000 0.572 482 T N 0.236 114.410 114.554 -0.633 0.000 3.051 482 T HA -0.155 4.201 4.350 0.009 0.000 0.269 482 T C 1.934 176.591 174.700 -0.071 0.000 1.127 482 T CA 1.600 63.384 62.100 -0.527 0.000 1.107 482 T CB -1.020 67.508 68.868 -0.566 0.000 0.898 482 T HN 0.196 nan 8.240 nan 0.000 0.517 483 V N -2.535 117.367 119.914 -0.019 0.000 2.594 483 V HA -0.051 4.074 4.120 0.009 0.000 0.253 483 V C 2.156 178.245 176.094 -0.009 0.000 1.069 483 V CA 0.795 63.072 62.300 -0.037 0.000 1.082 483 V CB -1.496 30.249 31.823 -0.130 0.000 0.680 483 V HN 0.627 nan 8.190 nan 0.000 0.469 484 W N 0.229 121.632 121.300 0.171 0.000 2.465 484 W HA 0.167 4.833 4.660 0.010 0.000 0.268 484 W C 2.277 178.938 176.519 0.237 0.000 1.242 484 W CA 0.819 58.285 57.345 0.202 0.000 1.248 484 W CB -0.289 29.294 29.460 0.205 0.000 1.118 484 W HN 0.221 nan 8.180 nan 0.000 0.587 485 I N -0.482 120.327 120.570 0.399 0.000 2.179 485 I HA -0.292 3.884 4.170 0.009 0.000 0.242 485 I C 2.257 178.596 176.117 0.370 0.000 1.088 485 I CA 1.495 63.006 61.300 0.352 0.000 1.357 485 I CB -1.014 37.116 38.000 0.217 0.000 1.051 485 I HN -0.158 nan 8.210 nan 0.000 0.409 486 T N 0.381 115.095 114.554 0.268 0.000 2.777 486 T HA -0.098 4.258 4.350 0.009 0.000 0.266 486 T C 2.029 176.907 174.700 0.297 0.000 1.040 486 T CA 1.077 63.339 62.100 0.271 0.000 1.141 486 T CB -0.194 68.795 68.868 0.201 0.000 0.868 486 T HN 0.267 nan 8.240 nan 0.000 0.444 487 R N 0.198 120.838 120.500 0.234 0.000 2.083 487 R HA -0.054 4.291 4.340 0.009 0.000 0.237 487 R C 2.202 178.658 176.300 0.260 0.000 1.137 487 R CA 1.545 57.727 56.100 0.137 0.000 0.951 487 R CB -0.629 29.649 30.300 -0.037 0.000 0.851 487 R HN 0.348 nan 8.270 nan 0.000 0.434 488 F N 0.606 120.716 119.950 0.266 0.000 2.091 488 F HA -0.311 4.221 4.527 0.009 0.000 0.299 488 F C 2.213 178.151 175.800 0.230 0.000 1.103 488 F CA 1.559 59.706 58.000 0.244 0.000 1.228 488 F CB -0.606 38.551 39.000 0.262 0.000 0.984 488 F HN -0.002 nan 8.300 nan 0.000 0.477 489 Y N 1.452 121.827 120.300 0.125 0.000 2.145 489 Y HA -0.192 4.363 4.550 0.009 0.000 0.286 489 Y C 2.305 178.237 175.900 0.054 0.000 1.145 489 Y CA 2.280 60.390 58.100 0.017 0.000 1.148 489 Y CB -0.676 37.872 38.460 0.147 0.000 0.981 489 Y HN 0.288 nan 8.280 nan 0.000 0.507 490 I N -2.384 118.263 120.570 0.128 0.000 2.676 490 I HA -0.119 4.057 4.170 0.009 0.000 0.259 490 I C 1.945 178.231 176.117 0.283 0.000 1.194 490 I CA 1.209 62.642 61.300 0.222 0.000 1.473 490 I CB -0.607 37.632 38.000 0.399 0.000 1.096 490 I HN 0.157 nan 8.210 nan 0.000 0.443 491 I N 2.408 123.009 120.570 0.051 0.000 2.252 491 I HA -0.134 4.042 4.170 0.009 0.000 0.245 491 I C 2.810 178.865 176.117 -0.102 0.000 1.102 491 I CA 1.546 62.799 61.300 -0.079 0.000 1.385 491 I CB -0.809 37.123 38.000 -0.113 0.000 1.064 491 I HN 0.360 nan 8.210 nan 0.000 0.414 492 G N 1.150 109.800 108.800 -0.250 0.000 2.440 492 G HA2 -0.204 3.761 3.960 0.009 0.000 0.218 492 G HA3 -0.204 3.761 3.960 0.009 0.000 0.218 492 G C 1.717 176.543 174.900 -0.125 0.000 1.154 492 G CA 0.476 45.411 45.100 -0.274 0.000 0.767 492 G HN 0.261 nan 8.290 nan 0.000 0.552 493 L N -0.914 120.232 121.223 -0.128 0.000 2.079 493 L HA -0.043 4.303 4.340 0.009 0.000 0.210 493 L C 2.563 179.586 176.870 0.255 0.000 1.081 493 L CA 1.072 55.962 54.840 0.084 0.000 0.752 493 L CB -0.400 41.718 42.059 0.098 0.000 0.896 493 L HN 0.261 nan 8.230 nan 0.000 0.433 494 F N 0.435 120.410 119.950 0.042 0.000 2.146 494 F HA -0.205 4.327 4.527 0.009 0.000 0.298 494 F C 2.224 177.912 175.800 -0.186 0.000 1.096 494 F CA 1.370 59.228 58.000 -0.237 0.000 1.275 494 F CB -0.004 38.558 39.000 -0.730 0.000 1.008 494 F HN -0.116 nan 8.300 nan 0.000 0.480 495 L N -1.052 120.215 121.223 0.073 0.000 2.056 495 L HA -0.209 4.136 4.340 0.009 0.000 0.207 495 L C 2.373 179.253 176.870 0.017 0.000 1.078 495 L CA 1.274 56.129 54.840 0.025 0.000 0.749 495 L CB -0.911 41.151 42.059 0.005 0.000 0.901 495 L HN 0.228 nan 8.230 nan 0.000 0.433 496 F N 0.877 120.776 119.950 -0.085 0.000 2.095 496 F HA -0.240 4.293 4.527 0.009 0.000 0.298 496 F C 2.120 177.893 175.800 -0.044 0.000 1.104 496 F CA 1.638 59.616 58.000 -0.037 0.000 1.232 496 F CB -0.334 38.635 39.000 -0.051 0.000 0.987 496 F HN -0.124 nan 8.300 nan 0.000 0.475 497 L N -0.517 120.464 121.223 -0.404 0.000 2.093 497 L HA -0.185 4.161 4.340 0.009 0.000 0.208 497 L C 2.333 178.872 176.870 -0.552 0.000 1.085 497 L CA 1.597 56.062 54.840 -0.626 0.000 0.755 497 L CB -1.161 40.585 42.059 -0.521 0.000 0.904 497 L HN 0.142 nan 8.230 nan 0.000 0.435 498 T N -0.217 114.052 114.554 -0.476 0.000 2.788 498 T HA -0.216 4.140 4.350 0.009 0.000 0.268 498 T C 1.612 176.245 174.700 -0.111 0.000 1.044 498 T CA 1.368 63.273 62.100 -0.325 0.000 1.139 498 T CB -0.330 68.392 68.868 -0.243 0.000 0.867 498 T HN 0.203 nan 8.240 nan 0.000 0.454 499 F N 1.632 121.446 119.950 -0.228 0.000 2.171 499 F HA 0.055 4.587 4.527 0.009 0.000 0.300 499 F C 1.878 177.634 175.800 -0.074 0.000 1.090 499 F CA 0.796 58.717 58.000 -0.130 0.000 1.293 499 F CB -0.483 38.440 39.000 -0.128 0.000 1.013 499 F HN 0.065 nan 8.300 nan 0.000 0.486 500 L N -0.950 120.089 121.223 -0.307 0.000 2.093 500 L HA -0.197 4.148 4.340 0.009 0.000 0.208 500 L C 2.364 179.197 176.870 -0.063 0.000 1.085 500 L CA 0.957 55.629 54.840 -0.281 0.000 0.755 500 L CB -0.869 40.993 42.059 -0.328 0.000 0.904 500 L HN -0.003 nan 8.230 nan 0.000 0.435 501 V N -0.262 119.596 119.914 -0.093 0.000 2.358 501 V HA -0.315 3.811 4.120 0.009 0.000 0.246 501 V C 2.240 178.301 176.094 -0.054 0.000 1.047 501 V CA 1.864 64.161 62.300 -0.004 0.000 1.035 501 V CB -0.603 31.143 31.823 -0.127 0.000 0.658 501 V HN 0.366 nan 8.190 nan 0.000 0.452 502 F N 0.445 120.267 119.950 -0.214 0.000 2.095 502 F HA -0.195 4.338 4.527 0.009 0.000 0.298 502 F C 2.048 177.685 175.800 -0.271 0.000 1.104 502 F CA 1.757 59.627 58.000 -0.216 0.000 1.232 502 F CB -0.202 38.688 39.000 -0.183 0.000 0.987 502 F HN 0.030 nan 8.300 nan 0.000 0.475 503 L N -0.001 121.029 121.223 -0.323 0.000 2.131 503 L HA -0.174 4.172 4.340 0.009 0.000 0.210 503 L C 2.811 179.478 176.870 -0.339 0.000 1.092 503 L CA 1.024 55.620 54.840 -0.406 0.000 0.759 503 L CB -1.191 40.619 42.059 -0.415 0.000 0.903 503 L HN 0.304 nan 8.230 nan 0.000 0.435 504 A N 0.191 122.860 122.820 -0.253 0.000 1.930 504 A HA -0.198 4.128 4.320 0.009 0.000 0.217 504 A C 2.133 179.578 177.584 -0.232 0.000 1.175 504 A CA 1.473 53.375 52.037 -0.225 0.000 0.627 504 A CB -0.337 18.558 19.000 -0.175 0.000 0.815 504 A HN 0.478 nan 8.150 nan 0.000 0.443 505 E N -0.541 119.490 120.200 -0.281 0.000 2.077 505 E HA -0.180 4.176 4.350 0.009 0.000 0.193 505 E C 2.190 178.611 176.600 -0.298 0.000 0.989 505 E CA 0.898 57.124 56.400 -0.290 0.000 0.800 505 E CB -0.200 29.297 29.700 -0.338 0.000 0.746 505 E HN 0.295 nan 8.360 nan 0.000 0.452 506 R N 0.858 121.107 120.500 -0.419 0.000 2.092 506 R HA -0.042 4.303 4.340 0.009 0.000 0.231 506 R C 2.200 178.386 176.300 -0.189 0.000 1.119 506 R CA 0.859 56.753 56.100 -0.343 0.000 0.970 506 R CB -0.599 29.426 30.300 -0.458 0.000 0.864 506 R HN 0.176 nan 8.270 nan 0.000 0.440 507 R N 0.824 121.209 120.500 -0.193 0.000 2.092 507 R HA -0.051 4.294 4.340 0.009 0.000 0.231 507 R C 2.276 178.545 176.300 -0.051 0.000 1.119 507 R CA 1.234 57.262 56.100 -0.120 0.000 0.970 507 R CB -0.092 30.119 30.300 -0.148 0.000 0.864 507 R HN 0.087 nan 8.270 nan 0.000 0.440 508 R N 0.475 120.923 120.500 -0.087 0.000 2.075 508 R HA -0.090 4.255 4.340 0.009 0.000 0.232 508 R C 1.665 177.943 176.300 -0.037 0.000 1.126 508 R CA 1.956 58.023 56.100 -0.055 0.000 0.963 508 R CB -0.308 29.951 30.300 -0.069 0.000 0.858 508 R HN 0.404 nan 8.270 nan 0.000 0.435 509 N N -0.409 118.258 118.700 -0.055 0.000 2.084 509 N HA -0.237 4.508 4.740 0.009 0.000 0.190 509 N C 1.949 177.452 175.510 -0.011 0.000 1.030 509 N CA 1.180 54.206 53.050 -0.040 0.000 0.849 509 N CB -0.346 38.103 38.487 -0.063 0.000 1.012 509 N HN 0.351 nan 8.380 nan 0.000 0.423 510 H N 1.290 120.311 119.070 -0.081 0.000 2.421 510 H HA -0.079 4.483 4.556 0.009 0.000 0.298 510 H C 1.745 177.041 175.328 -0.052 0.000 1.087 510 H CA 1.398 57.408 56.048 -0.063 0.000 1.330 510 H CB 0.294 30.014 29.762 -0.069 0.000 1.388 510 H HN 0.216 nan 8.280 nan 0.000 0.526 511 E N 0.419 120.632 120.200 0.020 0.000 2.047 511 E HA -0.081 4.274 4.350 0.009 0.000 0.191 511 E C 2.510 179.058 176.600 -0.086 0.000 0.987 511 E CA 1.450 57.837 56.400 -0.023 0.000 0.799 511 E CB -0.014 29.695 29.700 0.014 0.000 0.752 511 E HN 0.309 nan 8.360 nan 0.000 0.449 512 S N 0.048 115.710 115.700 -0.064 0.000 2.399 512 S HA -0.112 4.363 4.470 0.009 0.000 0.231 512 S C 1.971 176.523 174.600 -0.080 0.000 1.022 512 S CA 0.849 59.015 58.200 -0.056 0.000 0.983 512 S CB -0.291 62.889 63.200 -0.032 0.000 0.803 512 S HN 0.468 nan 8.310 nan 0.000 0.480 513 A N 1.113 123.862 122.820 -0.118 0.000 2.067 513 A HA 0.141 4.466 4.320 0.009 0.000 0.219 513 A C 2.139 179.632 177.584 -0.152 0.000 1.158 513 A CA 1.479 53.438 52.037 -0.129 0.000 0.661 513 A CB -0.844 18.068 19.000 -0.146 0.000 0.801 513 A HN 0.522 nan 8.150 nan 0.000 0.452 514 G N -0.896 107.788 108.800 -0.194 0.000 2.545 514 G HA2 0.204 4.170 3.960 0.009 0.000 0.212 514 G HA3 0.204 4.170 3.960 0.009 0.000 0.212 514 G C 1.075 175.920 174.900 -0.092 0.000 1.144 514 G CA 1.071 46.074 45.100 -0.162 0.000 0.813 514 G HN 0.657 nan 8.290 nan 0.000 0.531 515 T N 0.000 114.508 114.554 -0.077 0.000 3.816 515 T HA 0.000 4.356 4.350 0.009 0.000 0.228 515 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 515 T CB 0.000 68.845 68.868 -0.039 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658