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 3f3e_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 0.000 176.077 176.300 -0.372 0.000 0.893 5 R CA 0.000 55.967 56.100 -0.222 0.000 0.921 5 R CB 0.000 30.146 30.300 -0.257 0.000 0.687 6 E N 1.553 121.569 120.200 -0.307 0.000 2.404 6 E HA 0.121 4.474 4.350 0.005 0.000 0.261 6 E C -0.836 175.410 176.600 -0.590 0.000 1.074 6 E CA 0.236 56.402 56.400 -0.389 0.000 0.917 6 E CB 0.605 30.036 29.700 -0.449 0.000 0.965 6 E HN 0.412 nan 8.360 nan 0.000 0.433 7 H N -0.117 118.852 119.070 -0.168 0.000 2.895 7 H HA 0.215 4.774 4.556 0.005 0.000 0.373 7 H C -1.080 174.115 175.328 -0.221 0.000 1.174 7 H CA -0.849 55.111 56.048 -0.146 0.000 1.144 7 H CB 0.728 30.489 29.762 -0.003 0.000 1.793 7 H HN 0.444 nan 8.280 nan 0.000 0.551 8 W N 1.062 122.437 121.300 0.124 0.000 2.231 8 W HA 0.226 4.889 4.660 0.006 0.000 0.341 8 W C 1.033 177.582 176.519 0.051 0.000 1.298 8 W CA 0.126 57.491 57.345 0.034 0.000 1.266 8 W CB 0.447 29.933 29.460 0.043 0.000 1.172 8 W HN 0.777 nan 8.180 nan 0.000 0.568 9 A N 2.039 125.008 122.820 0.248 0.000 1.935 9 A HA 0.073 4.396 4.320 0.005 0.000 0.214 9 A C 0.930 178.594 177.584 0.133 0.000 1.178 9 A CA 1.483 53.606 52.037 0.142 0.000 0.640 9 A CB -0.508 18.545 19.000 0.088 0.000 0.825 9 A HN 0.540 nan 8.150 nan 0.000 0.447 10 T N -4.959 109.684 114.554 0.149 0.000 2.906 10 T HA 0.551 4.905 4.350 0.005 0.000 0.295 10 T C 0.377 175.131 174.700 0.090 0.000 1.075 10 T CA -0.561 61.598 62.100 0.098 0.000 1.005 10 T CB 1.974 70.881 68.868 0.064 0.000 1.136 10 T HN 0.052 nan 8.240 nan 0.000 0.498 11 R N 0.320 120.856 120.500 0.061 0.000 2.073 11 R HA 0.029 4.372 4.340 0.005 0.000 0.234 11 R C 2.132 178.439 176.300 0.010 0.000 1.134 11 R CA 1.797 57.922 56.100 0.041 0.000 0.952 11 R CB -1.398 28.921 30.300 0.032 0.000 0.850 11 R HN 0.662 nan 8.270 nan 0.000 0.433 12 L N -0.014 121.213 121.223 0.007 0.000 2.046 12 L HA 0.047 4.390 4.340 0.005 0.000 0.208 12 L C 2.064 178.918 176.870 -0.026 0.000 1.077 12 L CA 2.414 57.248 54.840 -0.011 0.000 0.747 12 L CB -1.196 40.859 42.059 -0.006 0.000 0.896 12 L HN 0.306 nan 8.230 nan 0.000 0.432 13 G N -0.162 108.635 108.800 -0.004 0.000 2.446 13 G HA2 -0.321 3.642 3.960 0.005 0.000 0.217 13 G HA3 -0.321 3.642 3.960 0.005 0.000 0.217 13 G C 1.581 176.403 174.900 -0.130 0.000 1.168 13 G CA 1.096 46.194 45.100 -0.002 0.000 0.771 13 G HN 0.470 nan 8.290 nan 0.000 0.551 14 L N 0.617 121.721 121.223 -0.199 0.000 2.046 14 L HA -0.005 4.338 4.340 0.005 0.000 0.208 14 L C 2.506 179.142 176.870 -0.391 0.000 1.077 14 L CA 1.455 55.935 54.840 -0.600 0.000 0.747 14 L CB -0.339 41.474 42.059 -0.410 0.000 0.896 14 L HN 0.117 nan 8.230 nan 0.000 0.432 15 I N -0.392 120.096 120.570 -0.137 0.000 2.252 15 I HA -0.262 3.911 4.170 0.005 0.000 0.245 15 I C 2.579 178.663 176.117 -0.055 0.000 1.102 15 I CA 1.427 62.706 61.300 -0.035 0.000 1.385 15 I CB -1.162 36.828 38.000 -0.016 0.000 1.064 15 I HN 0.342 nan 8.210 nan 0.000 0.414 16 L N 0.430 121.606 121.223 -0.079 0.000 2.156 16 L HA -0.103 4.240 4.340 0.005 0.000 0.208 16 L C 2.778 179.612 176.870 -0.059 0.000 1.095 16 L CA 0.996 55.801 54.840 -0.059 0.000 0.770 16 L CB -0.613 41.414 42.059 -0.054 0.000 0.914 16 L HN 0.161 nan 8.230 nan 0.000 0.439 17 A N -0.129 122.613 122.820 -0.130 0.000 1.898 17 A HA -0.193 4.130 4.320 0.005 0.000 0.216 17 A C 2.323 179.938 177.584 0.052 0.000 1.181 17 A CA 1.376 53.365 52.037 -0.081 0.000 0.620 17 A CB -0.323 18.461 19.000 -0.360 0.000 0.819 17 A HN 0.243 nan 8.150 nan 0.000 0.442 18 M N -0.519 119.047 119.600 -0.057 0.000 2.175 18 M HA -0.093 4.390 4.480 0.005 0.000 0.264 18 M C 2.498 178.822 176.300 0.039 0.000 1.063 18 M CA 1.503 56.827 55.300 0.039 0.000 1.119 18 M CB -1.199 31.452 32.600 0.084 0.000 1.377 18 M HN 0.502 nan 8.290 nan 0.000 0.415 19 A N 0.190 123.027 122.820 0.029 0.000 1.969 19 A HA 0.010 4.333 4.320 0.005 0.000 0.218 19 A C 2.370 179.964 177.584 0.017 0.000 1.169 19 A CA 1.849 53.899 52.037 0.022 0.000 0.635 19 A CB -1.224 17.781 19.000 0.009 0.000 0.810 19 A HN 0.524 nan 8.150 nan 0.000 0.445 20 G N -0.126 108.686 108.800 0.020 0.000 2.464 20 G HA2 -0.214 3.749 3.960 0.005 0.000 0.217 20 G HA3 -0.214 3.749 3.960 0.005 0.000 0.217 20 G C 1.492 176.389 174.900 -0.004 0.000 1.138 20 G CA 0.983 46.097 45.100 0.024 0.000 0.793 20 G HN 0.544 nan 8.290 nan 0.000 0.539 21 N N 1.830 120.511 118.700 -0.032 0.000 2.069 21 N HA -0.117 4.626 4.740 0.005 0.000 0.191 21 N C 2.401 177.795 175.510 -0.193 0.000 1.031 21 N CA 1.875 54.805 53.050 -0.200 0.000 0.852 21 N CB -0.489 37.765 38.487 -0.388 0.000 1.018 21 N HN 0.234 nan 8.380 nan 0.000 0.423 22 A N 0.945 123.699 122.820 -0.111 0.000 1.854 22 A HA 0.079 4.402 4.320 0.005 0.000 0.214 22 A C 1.036 178.603 177.584 -0.029 0.000 1.192 22 A CA 0.662 52.650 52.037 -0.081 0.000 0.611 22 A CB -0.700 18.285 19.000 -0.025 0.000 0.832 22 A HN 0.095 nan 8.150 nan 0.000 0.442 23 V N 0.796 120.719 119.914 0.015 0.000 2.397 23 V HA 0.502 4.625 4.120 0.005 0.000 0.262 23 V C 0.797 176.972 176.094 0.134 0.000 1.047 23 V CA 0.461 62.803 62.300 0.069 0.000 1.003 23 V CB -0.145 31.740 31.823 0.104 0.000 1.037 23 V HN 0.655 nan 8.190 nan 0.000 0.480 24 G N 3.061 111.970 108.800 0.182 0.000 2.871 24 G HA2 0.418 4.381 3.960 0.005 0.000 0.282 24 G HA3 0.418 4.381 3.960 0.005 0.000 0.282 24 G C 0.345 175.451 174.900 0.343 0.000 1.212 24 G CA -0.795 44.465 45.100 0.266 0.000 0.812 24 G HN 0.446 nan 8.290 nan 0.000 0.547 25 L N 0.917 122.340 121.223 0.334 0.000 2.187 25 L HA -0.011 4.332 4.340 0.005 0.000 0.213 25 L C 2.948 180.005 176.870 0.312 0.000 1.100 25 L CA 1.367 56.352 54.840 0.240 0.000 0.765 25 L CB -0.563 41.496 42.059 0.001 0.000 0.904 25 L HN 0.643 nan 8.230 nan 0.000 0.437 26 G N 0.273 109.353 108.800 0.467 0.000 2.432 26 G HA2 -0.259 3.704 3.960 0.005 0.000 0.219 26 G HA3 -0.259 3.704 3.960 0.005 0.000 0.219 26 G C 1.305 176.351 174.900 0.244 0.000 1.135 26 G CA 0.945 46.322 45.100 0.461 0.000 0.767 26 G HN 0.407 nan 8.290 nan 0.000 0.550 27 N N 0.008 118.766 118.700 0.096 0.000 2.216 27 N HA 0.032 4.775 4.740 0.005 0.000 0.183 27 N C 1.491 176.826 175.510 -0.292 0.000 1.017 27 N CA 0.941 53.858 53.050 -0.223 0.000 0.861 27 N CB -0.232 37.891 38.487 -0.607 0.000 0.986 27 N HN 0.390 nan 8.380 nan 0.000 0.428 28 F N -0.588 119.453 119.950 0.152 0.000 2.678 28 F HA 0.351 4.881 4.527 0.005 0.000 0.291 28 F C 1.615 177.544 175.800 0.214 0.000 1.123 28 F CA 0.175 58.281 58.000 0.178 0.000 1.395 28 F CB 0.179 39.201 39.000 0.037 0.000 1.121 28 F HN -0.071 nan 8.300 nan 0.000 0.592 29 L N -1.229 120.163 121.223 0.282 0.000 2.433 29 L HA 0.186 4.529 4.340 0.005 0.000 0.200 29 L C 2.426 179.358 176.870 0.104 0.000 1.059 29 L CA 0.357 55.321 54.840 0.208 0.000 0.835 29 L CB -0.270 41.906 42.059 0.194 0.000 1.076 29 L HN -0.118 nan 8.230 nan 0.000 0.481 30 R N 0.005 120.552 120.500 0.079 0.000 2.062 30 R HA -0.125 4.218 4.340 0.005 0.000 0.226 30 R C 2.390 178.681 176.300 -0.014 0.000 1.125 30 R CA 1.318 57.401 56.100 -0.029 0.000 0.966 30 R CB -0.237 29.991 30.300 -0.120 0.000 0.861 30 R HN 0.120 nan 8.270 nan 0.000 0.433 31 F N 2.246 122.162 119.950 -0.057 0.000 2.065 31 F HA -0.094 4.436 4.527 0.005 0.000 0.298 31 F C -1.194 174.492 175.800 -0.190 0.000 1.112 31 F CA 1.366 59.302 58.000 -0.107 0.000 1.212 31 F CB -0.937 38.006 39.000 -0.095 0.000 0.975 31 F HN 0.057 nan 8.300 nan 0.000 0.476 32 P HA -0.149 nan 4.420 nan 0.000 0.217 32 P C 2.133 179.222 177.300 -0.352 0.000 1.150 32 P CA 1.727 64.655 63.100 -0.286 0.000 0.832 32 P CB -0.071 31.611 31.700 -0.029 0.000 0.787 33 V N -0.102 119.654 119.914 -0.263 0.000 2.307 33 V HA -0.242 3.881 4.120 0.005 0.000 0.245 33 V C 2.551 178.407 176.094 -0.397 0.000 1.045 33 V CA 1.731 63.874 62.300 -0.263 0.000 1.024 33 V CB -1.116 30.590 31.823 -0.195 0.000 0.651 33 V HN 0.130 nan 8.190 nan 0.000 0.449 34 Q N -0.056 119.436 119.800 -0.514 0.000 2.084 34 Q HA -0.123 4.220 4.340 0.005 0.000 0.202 34 Q C 2.420 177.676 176.000 -1.239 0.000 0.978 34 Q CA 1.931 57.298 55.803 -0.727 0.000 0.844 34 Q CB -0.732 27.624 28.738 -0.636 0.000 0.898 34 Q HN 0.644 nan 8.270 nan 0.000 0.426 35 A N 1.069 123.052 122.820 -1.394 0.000 1.898 35 A HA -0.026 4.298 4.320 0.005 0.000 0.216 35 A C 2.327 179.501 177.584 -0.683 0.000 1.181 35 A CA 1.823 53.046 52.037 -1.358 0.000 0.620 35 A CB -0.609 17.622 19.000 -1.282 0.000 0.819 35 A HN 0.355 nan 8.150 nan 0.000 0.442 36 A N -0.385 122.172 122.820 -0.438 0.000 1.930 36 A HA -0.117 4.206 4.320 0.005 0.000 0.217 36 A C 1.878 179.399 177.584 -0.106 0.000 1.175 36 A CA 1.482 53.461 52.037 -0.097 0.000 0.627 36 A CB -0.465 18.479 19.000 -0.092 0.000 0.815 36 A HN 0.603 nan 8.150 nan 0.000 0.443 37 E N -0.213 119.848 120.200 -0.232 0.000 2.338 37 E HA -0.080 4.273 4.350 0.005 0.000 0.197 37 E C 0.298 176.807 176.600 -0.151 0.000 1.007 37 E CA 0.634 56.926 56.400 -0.179 0.000 0.849 37 E CB -0.001 29.575 29.700 -0.207 0.000 0.774 37 E HN 0.524 nan 8.360 nan 0.000 0.506 38 N N -0.803 117.770 118.700 -0.213 0.000 2.351 38 N HA 0.089 4.832 4.740 0.005 0.000 0.254 38 N C 0.205 175.657 175.510 -0.096 0.000 1.241 38 N CA 0.561 53.532 53.050 -0.131 0.000 0.883 38 N CB 1.825 40.256 38.487 -0.094 0.000 1.202 38 N HN 0.173 nan 8.380 nan 0.000 0.512 39 G N 0.406 109.156 108.800 -0.083 0.000 2.141 39 G HA2 -0.208 3.755 3.960 0.005 0.000 0.231 39 G HA3 -0.208 3.755 3.960 0.005 0.000 0.231 39 G C 0.812 175.459 174.900 -0.421 0.000 0.984 39 G CA 0.300 45.344 45.100 -0.092 0.000 0.660 39 G HN 0.681 nan 8.290 nan 0.000 0.525 40 G N -0.279 108.141 108.800 -0.634 0.000 2.601 40 G HA2 0.010 3.973 3.960 0.005 0.000 0.306 40 G HA3 0.010 3.973 3.960 0.005 0.000 0.306 40 G C 2.063 176.568 174.900 -0.658 0.000 1.172 40 G CA 1.933 46.352 45.100 -1.134 0.000 0.966 40 G HN 1.915 nan 8.290 nan 0.000 0.542 41 G N 0.601 109.015 108.800 -0.643 0.000 2.462 41 G HA2 0.213 4.176 3.960 0.005 0.000 0.220 41 G HA3 0.213 4.176 3.960 0.005 0.000 0.220 41 G C 2.057 176.771 174.900 -0.310 0.000 1.121 41 G CA 2.770 47.630 45.100 -0.399 0.000 0.758 41 G HN 1.867 nan 8.290 nan 0.000 0.559 42 A N 0.057 122.703 122.820 -0.291 0.000 2.070 42 A HA 0.109 4.432 4.320 0.005 0.000 0.220 42 A C 2.018 179.494 177.584 -0.180 0.000 1.159 42 A CA 1.301 53.206 52.037 -0.220 0.000 0.656 42 A CB -0.393 18.512 19.000 -0.158 0.000 0.800 42 A HN 0.445 nan 8.150 nan 0.000 0.453 43 F N -0.628 119.117 119.950 -0.341 0.000 2.416 43 F HA 0.054 4.584 4.527 0.004 0.000 0.296 43 F C 1.941 177.583 175.800 -0.263 0.000 1.099 43 F CA 0.947 58.758 58.000 -0.316 0.000 1.427 43 F CB 0.012 38.796 39.000 -0.361 0.000 1.079 43 F HN 0.060 nan 8.300 nan 0.000 0.536 44 M N -0.112 119.337 119.600 -0.251 0.000 2.349 44 M HA -0.080 4.403 4.480 0.005 0.000 0.266 44 M C 2.041 178.252 176.300 -0.149 0.000 1.076 44 M CA 0.813 55.973 55.300 -0.233 0.000 1.126 44 M CB -0.822 31.622 32.600 -0.260 0.000 1.392 44 M HN 0.146 nan 8.290 nan 0.000 0.440 45 I N 0.564 121.014 120.570 -0.201 0.000 2.193 45 I HA -0.121 4.052 4.170 0.005 0.000 0.240 45 I C -0.389 175.583 176.117 -0.242 0.000 1.084 45 I CA 1.313 62.534 61.300 -0.132 0.000 1.365 45 I CB -2.730 35.217 38.000 -0.089 0.000 1.064 45 I HN 0.083 nan 8.210 nan 0.000 0.410 46 P HA -0.218 nan 4.420 nan 0.000 0.216 46 P C 1.891 178.945 177.300 -0.409 0.000 1.150 46 P CA 1.503 64.031 63.100 -0.954 0.000 0.843 46 P CB -0.236 30.601 31.700 -1.438 0.000 0.787 47 Y N 0.151 120.116 120.300 -0.560 0.000 2.145 47 Y HA -0.184 4.369 4.550 0.006 0.000 0.286 47 Y C 2.111 177.950 175.900 -0.102 0.000 1.145 47 Y CA 1.528 59.393 58.100 -0.391 0.000 1.148 47 Y CB -0.859 37.273 38.460 -0.546 0.000 0.981 47 Y HN -0.183 nan 8.280 nan 0.000 0.507 48 I N -0.297 120.305 120.570 0.054 0.000 2.252 48 I HA -0.315 3.858 4.170 0.005 0.000 0.245 48 I C 2.258 178.422 176.117 0.080 0.000 1.102 48 I CA 1.361 62.719 61.300 0.097 0.000 1.385 48 I CB -0.350 37.742 38.000 0.153 0.000 1.064 48 I HN 0.254 nan 8.210 nan 0.000 0.414 49 I N 0.754 121.358 120.570 0.056 0.000 2.226 49 I HA -0.275 3.898 4.170 0.005 0.000 0.245 49 I C 2.796 178.915 176.117 0.002 0.000 1.100 49 I CA 1.307 62.656 61.300 0.082 0.000 1.374 49 I CB -0.463 37.675 38.000 0.231 0.000 1.057 49 I HN 0.181 nan 8.210 nan 0.000 0.413 50 A N 0.646 123.481 122.820 0.025 0.000 1.933 50 A HA -0.263 4.060 4.320 0.005 0.000 0.218 50 A C 2.212 179.738 177.584 -0.096 0.000 1.175 50 A CA 1.384 53.414 52.037 -0.011 0.000 0.628 50 A CB -0.925 18.140 19.000 0.108 0.000 0.814 50 A HN 0.461 nan 8.150 nan 0.000 0.444 51 F N 0.639 120.426 119.950 -0.272 0.000 2.134 51 F HA -0.132 4.398 4.527 0.005 0.000 0.299 51 F C 1.824 177.518 175.800 -0.178 0.000 1.097 51 F CA 1.696 59.529 58.000 -0.278 0.000 1.264 51 F CB -0.275 38.538 39.000 -0.312 0.000 1.001 51 F HN 0.146 nan 8.300 nan 0.000 0.479 52 L N -0.511 120.592 121.223 -0.199 0.000 2.109 52 L HA -0.142 4.201 4.340 0.005 0.000 0.207 52 L C 2.197 178.997 176.870 -0.117 0.000 1.086 52 L CA 0.944 55.674 54.840 -0.182 0.000 0.760 52 L CB -0.567 41.483 42.059 -0.014 0.000 0.910 52 L HN 0.169 nan 8.230 nan 0.000 0.437 53 L N -1.702 119.407 121.223 -0.190 0.000 2.529 53 L HA 0.035 4.379 4.340 0.005 0.000 0.223 53 L C 1.643 178.376 176.870 -0.228 0.000 1.113 53 L CA 0.010 54.715 54.840 -0.225 0.000 0.861 53 L CB 0.354 42.136 42.059 -0.462 0.000 1.012 53 L HN 0.049 nan 8.230 nan 0.000 0.461 54 V N -1.516 118.248 119.914 -0.250 0.000 3.102 54 V HA 0.202 4.325 4.120 0.005 0.000 0.225 54 V C 2.254 178.152 176.094 -0.326 0.000 1.301 54 V CA 0.929 63.100 62.300 -0.215 0.000 1.308 54 V CB -0.098 31.669 31.823 -0.093 0.000 1.129 54 V HN 0.277 nan 8.190 nan 0.000 0.502 55 G N 1.003 109.580 108.800 -0.372 0.000 2.453 55 G HA2 -0.180 3.783 3.960 0.005 0.000 0.215 55 G HA3 -0.180 3.783 3.960 0.005 0.000 0.215 55 G C 1.464 176.035 174.900 -0.547 0.000 1.201 55 G CA 1.229 46.088 45.100 -0.403 0.000 0.784 55 G HN 0.283 nan 8.290 nan 0.000 0.545 56 I N 2.292 122.359 120.570 -0.840 0.000 2.113 56 I HA -0.082 4.091 4.170 0.005 0.000 0.238 56 I C 0.178 175.783 176.117 -0.854 0.000 1.070 56 I CA 1.207 61.888 61.300 -1.031 0.000 1.332 56 I CB -1.856 35.428 38.000 -1.192 0.000 1.044 56 I HN 0.155 nan 8.210 nan 0.000 0.402 57 P HA -0.136 nan 4.420 nan 0.000 0.217 57 P C 2.324 179.548 177.300 -0.127 0.000 1.150 57 P CA 1.425 64.390 63.100 -0.226 0.000 0.832 57 P CB -0.021 31.633 31.700 -0.077 0.000 0.787 58 L N -1.786 119.323 121.223 -0.190 0.000 2.141 58 L HA -0.127 4.216 4.340 0.005 0.000 0.209 58 L C 2.734 179.566 176.870 -0.063 0.000 1.094 58 L CA 1.096 55.865 54.840 -0.118 0.000 0.763 58 L CB -0.668 41.280 42.059 -0.186 0.000 0.908 58 L HN -0.027 nan 8.230 nan 0.000 0.437 59 M N -0.611 118.893 119.600 -0.159 0.000 2.080 59 M HA -0.255 4.228 4.480 0.005 0.000 0.260 59 M C 1.960 178.323 176.300 0.105 0.000 1.068 59 M CA 2.034 57.300 55.300 -0.057 0.000 1.109 59 M CB -0.541 31.904 32.600 -0.258 0.000 1.342 59 M HN 0.162 nan 8.290 nan 0.000 0.405 60 W N 0.219 121.482 121.300 -0.062 0.000 2.358 60 W HA -0.106 4.557 4.660 0.005 0.000 0.303 60 W C 2.340 178.911 176.519 0.086 0.000 1.208 60 W CA 1.175 58.488 57.345 -0.053 0.000 1.274 60 W CB -1.228 28.147 29.460 -0.141 0.000 1.138 60 W HN 0.277 nan 8.180 nan 0.000 0.515 61 I N 0.348 121.103 120.570 0.307 0.000 2.163 61 I HA -0.313 3.860 4.170 0.005 0.000 0.243 61 I C 2.291 178.440 176.117 0.055 0.000 1.085 61 I CA 1.582 63.026 61.300 0.239 0.000 1.347 61 I CB -0.505 37.631 38.000 0.226 0.000 1.044 61 I HN -0.029 nan 8.210 nan 0.000 0.408 62 E N -0.302 119.964 120.200 0.111 0.000 2.072 62 E HA -0.240 4.113 4.350 0.005 0.000 0.191 62 E C 2.063 178.738 176.600 0.124 0.000 0.985 62 E CA 1.412 57.857 56.400 0.075 0.000 0.801 62 E CB -0.198 29.558 29.700 0.094 0.000 0.750 62 E HN 0.495 nan 8.360 nan 0.000 0.452 63 W N 1.040 122.360 121.300 0.034 0.000 2.358 63 W HA -0.153 4.510 4.660 0.005 0.000 0.303 63 W C 2.592 179.138 176.519 0.046 0.000 1.208 63 W CA 1.482 58.869 57.345 0.069 0.000 1.274 63 W CB -0.505 29.023 29.460 0.113 0.000 1.138 63 W HN 0.080 nan 8.180 nan 0.000 0.515 64 A N -0.500 122.479 122.820 0.265 0.000 1.898 64 A HA -0.193 4.131 4.320 0.005 0.000 0.216 64 A C 1.935 179.489 177.584 -0.050 0.000 1.181 64 A CA 1.883 54.004 52.037 0.140 0.000 0.620 64 A CB -0.802 18.311 19.000 0.188 0.000 0.819 64 A HN 0.257 nan 8.150 nan 0.000 0.442 65 M N -0.555 118.860 119.600 -0.308 0.000 2.117 65 M HA -0.077 4.407 4.480 0.005 0.000 0.262 65 M C 2.312 178.591 176.300 -0.035 0.000 1.065 65 M CA 1.406 56.498 55.300 -0.347 0.000 1.114 65 M CB -0.591 31.759 32.600 -0.415 0.000 1.361 65 M HN 0.497 nan 8.290 nan 0.000 0.408 66 G N 0.189 108.984 108.800 -0.007 0.000 2.421 66 G HA2 -0.229 3.734 3.960 0.005 0.000 0.216 66 G HA3 -0.229 3.734 3.960 0.005 0.000 0.216 66 G C 1.593 176.517 174.900 0.040 0.000 1.171 66 G CA 0.858 45.962 45.100 0.008 0.000 0.775 66 G HN 0.398 nan 8.290 nan 0.000 0.543 67 R N -0.967 119.596 120.500 0.105 0.000 2.081 67 R HA -0.121 4.222 4.340 0.005 0.000 0.235 67 R C 2.256 178.638 176.300 0.137 0.000 1.131 67 R CA 1.398 57.580 56.100 0.137 0.000 0.960 67 R CB -0.545 29.877 30.300 0.203 0.000 0.856 67 R HN 0.423 nan 8.270 nan 0.000 0.436 68 Y N 0.412 120.731 120.300 0.032 0.000 2.128 68 Y HA -0.107 4.446 4.550 0.005 0.000 0.284 68 Y C 2.117 178.032 175.900 0.027 0.000 1.154 68 Y CA 2.058 60.178 58.100 0.034 0.000 1.149 68 Y CB -0.685 37.779 38.460 0.007 0.000 0.976 68 Y HN 0.176 nan 8.280 nan 0.000 0.505 69 G N -0.821 108.029 108.800 0.083 0.000 2.402 69 G HA2 -0.201 3.762 3.960 0.005 0.000 0.216 69 G HA3 -0.201 3.762 3.960 0.005 0.000 0.216 69 G C 1.886 176.768 174.900 -0.030 0.000 1.162 69 G CA 0.650 45.765 45.100 0.025 0.000 0.777 69 G HN 0.602 nan 8.290 nan 0.000 0.539 70 G N 1.115 109.880 108.800 -0.058 0.000 2.422 70 G HA2 0.041 4.004 3.960 0.005 0.000 0.218 70 G HA3 0.041 4.004 3.960 0.005 0.000 0.218 70 G C 2.003 176.859 174.900 -0.073 0.000 1.146 70 G CA 1.419 46.448 45.100 -0.118 0.000 0.769 70 G HN 0.634 nan 8.290 nan 0.000 0.547 71 A N 0.077 122.865 122.820 -0.053 0.000 2.024 71 A HA -0.044 4.279 4.320 0.005 0.000 0.220 71 A C 2.149 179.690 177.584 -0.073 0.000 1.164 71 A CA 1.595 53.603 52.037 -0.047 0.000 0.643 71 A CB -0.184 18.773 19.000 -0.070 0.000 0.806 71 A HN 0.482 nan 8.150 nan 0.000 0.451 72 Q N -1.833 117.913 119.800 -0.090 0.000 2.220 72 Q HA 0.330 4.673 4.340 0.005 0.000 0.205 72 Q C 0.783 176.739 176.000 -0.073 0.000 0.865 72 Q CA 0.241 56.022 55.803 -0.037 0.000 0.960 72 Q CB 0.472 29.212 28.738 0.004 0.000 1.097 72 Q HN 0.827 nan 8.270 nan 0.000 0.493 73 G N 1.405 110.104 108.800 -0.168 0.000 2.132 73 G HA2 -0.201 3.762 3.960 0.005 0.000 0.234 73 G HA3 -0.201 3.762 3.960 0.005 0.000 0.234 73 G C -0.365 174.193 174.900 -0.569 0.000 0.989 73 G CA -0.324 44.569 45.100 -0.344 0.000 0.676 73 G HN 0.429 nan 8.290 nan 0.000 0.522 74 H N -0.993 118.012 119.070 -0.108 0.000 2.744 74 H HA 0.541 5.100 4.556 0.005 0.000 0.339 74 H C 0.859 176.119 175.328 -0.113 0.000 1.004 74 H CA 0.009 56.005 56.048 -0.088 0.000 1.257 74 H CB 1.668 31.409 29.762 -0.036 0.000 1.552 74 H HN 0.271 nan 8.280 nan 0.000 0.522 75 G N 1.971 110.754 108.800 -0.029 0.000 3.192 75 G HA2 0.021 3.984 3.960 0.005 0.000 0.239 75 G HA3 0.021 3.984 3.960 0.005 0.000 0.239 75 G C 0.418 175.315 174.900 -0.005 0.000 1.084 75 G CA 0.144 45.180 45.100 -0.108 0.000 0.784 75 G HN 0.575 nan 8.290 nan 0.000 0.540 76 T N -3.265 111.326 114.554 0.061 0.000 2.924 76 T HA 0.448 4.801 4.350 0.005 0.000 0.291 76 T C 1.483 176.187 174.700 0.007 0.000 1.045 76 T CA 0.423 62.558 62.100 0.059 0.000 1.015 76 T CB 1.557 70.500 68.868 0.124 0.000 1.103 76 T HN 0.025 nan 8.240 nan 0.000 0.496 77 T N -2.019 112.479 114.554 -0.093 0.000 2.915 77 T HA 0.058 4.411 4.350 0.005 0.000 0.269 77 T C -1.093 173.412 174.700 -0.325 0.000 1.071 77 T CA 0.706 62.600 62.100 -0.342 0.000 1.132 77 T CB -1.685 66.818 68.868 -0.609 0.000 0.878 77 T HN 0.428 nan 8.240 nan 0.000 0.479 78 P HA 0.049 nan 4.420 nan 0.000 0.215 78 P C 1.837 179.146 177.300 0.014 0.000 1.153 78 P CA 1.567 64.622 63.100 -0.074 0.000 0.853 78 P CB -0.340 31.323 31.700 -0.061 0.000 0.788 79 A N -0.933 121.898 122.820 0.018 0.000 1.872 79 A HA -0.110 4.213 4.320 0.005 0.000 0.214 79 A C 2.203 179.807 177.584 0.033 0.000 1.187 79 A CA 1.197 53.206 52.037 -0.047 0.000 0.614 79 A CB -1.529 17.345 19.000 -0.211 0.000 0.826 79 A HN 0.073 nan 8.150 nan 0.000 0.442 80 I N -1.294 119.318 120.570 0.070 0.000 2.226 80 I HA -0.215 3.958 4.170 0.005 0.000 0.245 80 I C 2.145 178.459 176.117 0.327 0.000 1.100 80 I CA 1.062 62.459 61.300 0.160 0.000 1.374 80 I CB -0.369 37.709 38.000 0.131 0.000 1.057 80 I HN 0.220 nan 8.210 nan 0.000 0.413 81 F N 0.058 120.085 119.950 0.130 0.000 2.171 81 F HA -0.239 4.291 4.527 0.005 0.000 0.300 81 F C 2.461 178.400 175.800 0.230 0.000 1.090 81 F CA 1.066 59.170 58.000 0.173 0.000 1.293 81 F CB -1.266 37.853 39.000 0.198 0.000 1.013 81 F HN 0.106 nan 8.300 nan 0.000 0.486 82 Y N 0.289 120.738 120.300 0.248 0.000 2.314 82 Y HA -0.084 4.469 4.550 0.005 0.000 0.293 82 Y C 2.116 178.095 175.900 0.131 0.000 1.129 82 Y CA 1.061 59.233 58.100 0.121 0.000 1.201 82 Y CB -0.451 38.021 38.460 0.020 0.000 0.999 82 Y HN -0.042 nan 8.280 nan 0.000 0.541 83 L N -0.750 120.565 121.223 0.155 0.000 2.083 83 L HA -0.227 4.116 4.340 0.005 0.000 0.209 83 L C 2.095 179.076 176.870 0.185 0.000 1.083 83 L CA 1.186 56.102 54.840 0.126 0.000 0.752 83 L CB -0.501 41.680 42.059 0.203 0.000 0.899 83 L HN 0.253 nan 8.230 nan 0.000 0.433 84 L N -2.372 118.961 121.223 0.184 0.000 2.341 84 L HA -0.035 4.308 4.340 0.005 0.000 0.214 84 L C 0.253 177.349 176.870 0.377 0.000 1.115 84 L CA 0.152 55.083 54.840 0.151 0.000 0.820 84 L CB 0.108 42.163 42.059 -0.007 0.000 0.944 84 L HN 0.306 nan 8.230 nan 0.000 0.452 85 W N 0.883 122.224 121.300 0.070 0.000 2.822 85 W HA 0.305 4.968 4.660 0.005 0.000 0.317 85 W C -0.564 175.932 176.519 -0.039 0.000 1.033 85 W CA -1.289 56.090 57.345 0.056 0.000 1.252 85 W CB 0.682 30.191 29.460 0.082 0.000 1.186 85 W HN -0.240 nan 8.180 nan 0.000 0.383 86 R N 4.772 125.198 120.500 -0.123 0.000 3.688 86 R HA 0.140 4.483 4.340 0.005 0.000 0.194 86 R C -0.272 175.835 176.300 -0.322 0.000 1.677 86 R CA 0.090 55.878 56.100 -0.522 0.000 1.351 86 R CB -0.655 29.446 30.300 -0.331 0.000 1.338 86 R HN 0.427 nan 8.270 nan 0.000 0.731 87 N N 0.580 119.072 118.700 -0.346 0.000 2.324 87 N HA 0.087 4.830 4.740 0.005 0.000 0.285 87 N C 0.587 176.031 175.510 -0.111 0.000 1.076 87 N CA -0.452 52.378 53.050 -0.367 0.000 0.864 87 N CB 1.876 39.668 38.487 -1.159 0.000 1.632 87 N HN 0.027 nan 8.380 nan 0.000 0.478 88 R N 2.306 122.806 120.500 0.000 0.000 2.139 88 R HA -0.051 4.292 4.340 0.005 0.000 0.243 88 R C 1.525 177.864 176.300 0.064 0.000 1.145 88 R CA 1.608 57.724 56.100 0.027 0.000 0.976 88 R CB -0.735 29.597 30.300 0.053 0.000 0.866 88 R HN 0.602 nan 8.270 nan 0.000 0.449 89 F N 0.417 120.267 119.950 -0.167 0.000 2.269 89 F HA 0.040 4.570 4.527 0.005 0.000 0.301 89 F C 1.954 177.743 175.800 -0.018 0.000 1.082 89 F CA 0.832 58.788 58.000 -0.074 0.000 1.360 89 F CB -0.628 38.350 39.000 -0.038 0.000 1.041 89 F HN 0.157 nan 8.300 nan 0.000 0.512 90 A N -0.016 122.693 122.820 -0.185 0.000 1.902 90 A HA -0.215 4.108 4.320 0.005 0.000 0.217 90 A C 2.321 180.052 177.584 0.246 0.000 1.181 90 A CA 1.810 53.913 52.037 0.110 0.000 0.623 90 A CB -0.560 18.531 19.000 0.151 0.000 0.818 90 A HN 0.392 nan 8.150 nan 0.000 0.443 91 K N -0.488 119.977 120.400 0.108 0.000 2.057 91 K HA -0.007 4.316 4.320 0.005 0.000 0.206 91 K C 1.801 178.408 176.600 0.011 0.000 1.050 91 K CA 1.446 57.751 56.287 0.030 0.000 0.935 91 K CB -0.343 32.088 32.500 -0.116 0.000 0.715 91 K HN 0.537 nan 8.250 nan 0.000 0.439 92 I N 1.188 121.764 120.570 0.010 0.000 2.179 92 I HA -0.290 3.883 4.170 0.005 0.000 0.242 92 I C 2.165 178.343 176.117 0.101 0.000 1.088 92 I CA 1.254 62.564 61.300 0.017 0.000 1.357 92 I CB -0.298 37.744 38.000 0.069 0.000 1.051 92 I HN 0.105 nan 8.210 nan 0.000 0.409 93 L N 0.519 121.795 121.223 0.088 0.000 2.131 93 L HA -0.134 4.209 4.340 0.005 0.000 0.210 93 L C 2.632 179.897 176.870 0.659 0.000 1.092 93 L CA 1.390 56.490 54.840 0.434 0.000 0.759 93 L CB -1.044 41.213 42.059 0.330 0.000 0.903 93 L HN 0.339 nan 8.230 nan 0.000 0.435 94 G N -0.555 108.482 108.800 0.394 0.000 2.448 94 G HA2 -0.176 3.787 3.960 0.005 0.000 0.219 94 G HA3 -0.176 3.787 3.960 0.005 0.000 0.219 94 G C 1.572 176.430 174.900 -0.071 0.000 1.127 94 G CA 0.678 45.759 45.100 -0.033 0.000 0.766 94 G HN 0.213 nan 8.290 nan 0.000 0.552 95 V N 0.408 120.250 119.914 -0.120 0.000 2.469 95 V HA -0.181 3.942 4.120 0.005 0.000 0.251 95 V C 2.421 178.312 176.094 -0.339 0.000 1.064 95 V CA 1.420 63.464 62.300 -0.427 0.000 1.066 95 V CB -0.648 30.646 31.823 -0.881 0.000 0.667 95 V HN 0.363 nan 8.190 nan 0.000 0.461 96 F N 1.274 121.206 119.950 -0.030 0.000 2.250 96 F HA -0.072 4.458 4.527 0.005 0.000 0.301 96 F C 2.282 177.721 175.800 -0.601 0.000 1.077 96 F CA 1.450 59.385 58.000 -0.108 0.000 1.348 96 F CB -0.809 38.184 39.000 -0.013 0.000 1.040 96 F HN 0.247 nan 8.300 nan 0.000 0.509 97 G N -0.889 107.576 108.800 -0.559 0.000 2.920 97 G HA2 0.056 4.019 3.960 0.005 0.000 0.208 97 G HA3 0.056 4.019 3.960 0.005 0.000 0.208 97 G C 1.431 176.225 174.900 -0.176 0.000 1.159 97 G CA 0.209 45.051 45.100 -0.430 0.000 0.784 97 G HN 0.329 nan 8.290 nan 0.000 0.535 98 L N -2.175 118.937 121.223 -0.185 0.000 2.362 98 L HA 0.259 4.603 4.340 0.005 0.000 0.204 98 L C 2.381 179.214 176.870 -0.061 0.000 1.060 98 L CA -0.017 54.729 54.840 -0.158 0.000 0.827 98 L CB -0.242 41.622 42.059 -0.325 0.000 1.027 98 L HN 0.347 nan 8.230 nan 0.000 0.474 99 W N 1.688 122.845 121.300 -0.239 0.000 2.379 99 W HA -0.108 4.555 4.660 0.005 0.000 0.307 99 W C 2.195 178.711 176.519 -0.005 0.000 1.200 99 W CA 1.423 58.695 57.345 -0.122 0.000 1.297 99 W CB -0.063 29.323 29.460 -0.124 0.000 1.140 99 W HN -0.081 nan 8.180 nan 0.000 0.507 100 I N 1.941 122.584 120.570 0.121 0.000 2.099 100 I HA -0.295 3.878 4.170 0.005 0.000 0.239 100 I C -0.332 175.739 176.117 -0.077 0.000 1.066 100 I CA 1.773 63.036 61.300 -0.061 0.000 1.324 100 I CB -1.943 36.051 38.000 -0.011 0.000 1.037 100 I HN -0.056 nan 8.210 nan 0.000 0.401 101 P HA -0.166 nan 4.420 nan 0.000 0.219 101 P C 1.883 179.148 177.300 -0.058 0.000 1.150 101 P CA 1.279 64.388 63.100 0.016 0.000 0.814 101 P CB -0.036 31.670 31.700 0.010 0.000 0.787 102 L N 0.171 121.347 121.223 -0.079 0.000 2.027 102 L HA -0.093 4.250 4.340 0.005 0.000 0.206 102 L C 2.432 179.246 176.870 -0.094 0.000 1.074 102 L CA 1.729 56.535 54.840 -0.057 0.000 0.745 102 L CB -1.294 40.748 42.059 -0.028 0.000 0.898 102 L HN -0.248 nan 8.230 nan 0.000 0.433 103 V N -1.077 118.686 119.914 -0.252 0.000 2.343 103 V HA -0.257 3.866 4.120 0.005 0.000 0.247 103 V C 2.510 178.586 176.094 -0.030 0.000 1.051 103 V CA 1.613 63.788 62.300 -0.209 0.000 1.036 103 V CB -0.437 31.048 31.823 -0.564 0.000 0.654 103 V HN 0.354 nan 8.190 nan 0.000 0.451 104 V N 0.292 120.158 119.914 -0.079 0.000 2.407 104 V HA -0.236 3.887 4.120 0.005 0.000 0.248 104 V C 2.685 178.539 176.094 -0.401 0.000 1.055 104 V CA 1.885 64.041 62.300 -0.239 0.000 1.049 104 V CB -1.056 30.766 31.823 -0.002 0.000 0.662 104 V HN 0.562 nan 8.190 nan 0.000 0.455 105 A N -0.084 122.630 122.820 -0.177 0.000 1.933 105 A HA -0.185 4.138 4.320 0.005 0.000 0.218 105 A C 2.168 179.763 177.584 0.018 0.000 1.175 105 A CA 1.821 53.806 52.037 -0.088 0.000 0.628 105 A CB -0.557 18.424 19.000 -0.032 0.000 0.814 105 A HN 0.511 nan 8.150 nan 0.000 0.444 106 I N -1.014 119.585 120.570 0.049 0.000 2.208 106 I HA -0.335 3.838 4.170 0.005 0.000 0.245 106 I C 2.501 178.729 176.117 0.186 0.000 1.097 106 I CA 2.069 63.459 61.300 0.150 0.000 1.363 106 I CB -0.383 37.722 38.000 0.174 0.000 1.051 106 I HN 0.738 nan 8.210 nan 0.000 0.413 107 Y N -2.238 118.154 120.300 0.153 0.000 2.476 107 Y HA -0.024 4.529 4.550 0.005 0.000 0.283 107 Y C 2.343 178.331 175.900 0.147 0.000 1.109 107 Y CA 0.142 58.327 58.100 0.141 0.000 1.246 107 Y CB -1.146 37.401 38.460 0.145 0.000 1.068 107 Y HN 0.038 nan 8.280 nan 0.000 0.552 108 Y N 1.218 121.311 120.300 -0.344 0.000 2.200 108 Y HA -0.141 4.412 4.550 0.005 0.000 0.290 108 Y C 2.264 178.131 175.900 -0.055 0.000 1.137 108 Y CA 1.854 59.833 58.100 -0.202 0.000 1.163 108 Y CB -0.158 38.125 38.460 -0.295 0.000 0.988 108 Y HN 0.035 nan 8.280 nan 0.000 0.518 109 V N -0.545 119.517 119.914 0.247 0.000 2.427 109 V HA -0.297 3.826 4.120 0.005 0.000 0.248 109 V C 1.928 178.223 176.094 0.335 0.000 1.051 109 V CA 1.971 64.444 62.300 0.289 0.000 1.048 109 V CB -1.052 30.967 31.823 0.327 0.000 0.666 109 V HN 0.504 nan 8.190 nan 0.000 0.456 110 Y N 0.804 121.161 120.300 0.096 0.000 2.145 110 Y HA -0.190 4.363 4.550 0.005 0.000 0.286 110 Y C 2.228 177.771 175.900 -0.595 0.000 1.145 110 Y CA 1.404 59.410 58.100 -0.157 0.000 1.148 110 Y CB -0.335 37.914 38.460 -0.352 0.000 0.981 110 Y HN 0.201 nan 8.280 nan 0.000 0.507 111 I N 0.087 120.114 120.570 -0.904 0.000 2.286 111 I HA -0.282 3.891 4.170 0.005 0.000 0.248 111 I C 2.508 178.186 176.117 -0.732 0.000 1.115 111 I CA 1.796 62.162 61.300 -1.557 0.000 1.392 111 I CB -0.512 36.880 38.000 -1.012 0.000 1.065 111 I HN 0.281 nan 8.210 nan 0.000 0.418 112 E N 1.222 121.217 120.200 -0.342 0.000 2.085 112 E HA -0.277 4.076 4.350 0.005 0.000 0.194 112 E C 2.277 178.971 176.600 0.156 0.000 0.994 112 E CA 1.908 58.290 56.400 -0.030 0.000 0.801 112 E CB 0.004 29.744 29.700 0.067 0.000 0.743 112 E HN 0.542 nan 8.360 nan 0.000 0.453 113 S N -0.167 115.617 115.700 0.140 0.000 2.399 113 S HA -0.164 4.309 4.470 0.005 0.000 0.231 113 S C 1.689 176.463 174.600 0.291 0.000 1.022 113 S CA 0.981 59.342 58.200 0.268 0.000 0.983 113 S CB -0.749 62.730 63.200 0.465 0.000 0.803 113 S HN 0.439 nan 8.310 nan 0.000 0.480 114 W N 2.923 124.189 121.300 -0.056 0.000 2.363 114 W HA -0.007 4.655 4.660 0.005 0.000 0.296 114 W C 3.032 179.508 176.519 -0.071 0.000 1.212 114 W CA 1.404 58.637 57.345 -0.186 0.000 1.260 114 W CB -1.947 27.151 29.460 -0.604 0.000 1.131 114 W HN 0.636 nan 8.180 nan 0.000 0.530 115 T N -1.144 113.575 114.554 0.275 0.000 2.867 115 T HA -0.167 4.186 4.350 0.005 0.000 0.268 115 T C 1.925 176.735 174.700 0.184 0.000 1.057 115 T CA 1.331 63.576 62.100 0.242 0.000 1.136 115 T CB -0.729 68.272 68.868 0.220 0.000 0.874 115 T HN -0.002 nan 8.240 nan 0.000 0.466 116 L N 2.101 123.370 121.223 0.077 0.000 2.056 116 L HA 0.314 4.657 4.340 0.005 0.000 0.207 116 L C 2.715 179.640 176.870 0.092 0.000 1.078 116 L CA 2.036 56.762 54.840 -0.191 0.000 0.749 116 L CB -1.270 40.442 42.059 -0.578 0.000 0.901 116 L HN 0.364 nan 8.230 nan 0.000 0.433 117 G N -1.183 107.741 108.800 0.207 0.000 2.418 117 G HA2 -0.296 3.667 3.960 0.005 0.000 0.217 117 G HA3 -0.296 3.667 3.960 0.005 0.000 0.217 117 G C 1.422 176.637 174.900 0.525 0.000 1.158 117 G CA 0.917 46.252 45.100 0.392 0.000 0.771 117 G HN 0.386 nan 8.290 nan 0.000 0.545 118 F N 1.765 121.736 119.950 0.035 0.000 2.146 118 F HA 0.109 4.639 4.527 0.005 0.000 0.298 118 F C 3.014 178.959 175.800 0.242 0.000 1.096 118 F CA 0.596 58.586 58.000 -0.017 0.000 1.275 118 F CB -0.639 37.790 39.000 -0.952 0.000 1.008 118 F HN 0.243 nan 8.300 nan 0.000 0.480 119 A N 0.470 123.548 122.820 0.429 0.000 1.883 119 A HA -0.193 4.130 4.320 0.005 0.000 0.217 119 A C 2.297 180.256 177.584 0.626 0.000 1.186 119 A CA 1.952 54.344 52.037 0.592 0.000 0.624 119 A CB -1.177 18.102 19.000 0.465 0.000 0.822 119 A HN 0.365 nan 8.150 nan 0.000 0.444 120 I N -0.444 120.409 120.570 0.471 0.000 2.127 120 I HA -0.323 3.850 4.170 0.005 0.000 0.241 120 I C 2.503 178.816 176.117 0.326 0.000 1.075 120 I CA 1.990 63.526 61.300 0.393 0.000 1.334 120 I CB -0.352 37.916 38.000 0.447 0.000 1.040 120 I HN 0.295 nan 8.210 nan 0.000 0.405 121 K N 0.097 120.710 120.400 0.356 0.000 2.097 121 K HA -0.158 4.165 4.320 0.005 0.000 0.206 121 K C 2.062 178.755 176.600 0.154 0.000 1.049 121 K CA 1.513 57.913 56.287 0.187 0.000 0.933 121 K CB -0.256 32.369 32.500 0.209 0.000 0.717 121 K HN 0.132 nan 8.250 nan 0.000 0.442 122 F N 0.824 120.895 119.950 0.202 0.000 2.206 122 F HA -0.125 4.405 4.527 0.005 0.000 0.298 122 F C 2.113 178.019 175.800 0.177 0.000 1.090 122 F CA 0.581 58.719 58.000 0.229 0.000 1.323 122 F CB -0.400 38.846 39.000 0.410 0.000 1.028 122 F HN -0.056 nan 8.300 nan 0.000 0.492 123 L N -0.215 121.178 121.223 0.285 0.000 2.012 123 L HA -0.166 4.177 4.340 0.005 0.000 0.210 123 L C 1.871 178.733 176.870 -0.012 0.000 1.073 123 L CA 1.702 56.489 54.840 -0.089 0.000 0.748 123 L CB -0.707 41.151 42.059 -0.334 0.000 0.891 123 L HN -0.034 nan 8.230 nan 0.000 0.431 124 V N -0.003 119.923 119.914 0.020 0.000 3.649 124 V HA 0.294 4.417 4.120 0.005 0.000 0.275 124 V C 1.600 177.680 176.094 -0.023 0.000 1.281 124 V CA 0.685 62.980 62.300 -0.008 0.000 1.143 124 V CB -0.805 31.011 31.823 -0.011 0.000 0.892 124 V HN 0.729 nan 8.190 nan 0.000 0.441 125 G N 0.951 109.737 108.800 -0.024 0.000 2.147 125 G HA2 -0.259 3.705 3.960 0.005 0.000 0.244 125 G HA3 -0.259 3.705 3.960 0.005 0.000 0.244 125 G C 0.191 175.013 174.900 -0.131 0.000 1.005 125 G CA 0.117 45.175 45.100 -0.069 0.000 0.713 125 G HN 0.490 nan 8.290 nan 0.000 0.515 126 L N 0.976 122.115 121.223 -0.141 0.000 2.466 126 L HA 0.477 4.820 4.340 0.005 0.000 0.248 126 L C 0.814 177.562 176.870 -0.203 0.000 1.240 126 L CA -0.558 54.200 54.840 -0.137 0.000 1.180 126 L CB 0.108 42.101 42.059 -0.110 0.000 1.413 126 L HN 0.299 nan 8.230 nan 0.000 0.406 127 V N -1.068 118.637 119.914 -0.348 0.000 3.102 127 V HA 0.728 4.851 4.120 0.005 0.000 0.312 127 V C -2.423 173.371 176.094 -0.501 0.000 1.135 127 V CA -2.069 59.823 62.300 -0.680 0.000 1.022 127 V CB 1.571 32.814 31.823 -0.967 0.000 1.056 127 V HN 0.158 nan 8.190 nan 0.000 0.436 128 P HA 0.332 nan 4.420 nan 0.000 0.272 128 P C -0.869 176.199 177.300 -0.387 0.000 1.230 128 P CA -0.028 62.746 63.100 -0.545 0.000 0.788 128 P CB 0.538 31.702 31.700 -0.894 0.000 0.949 129 E N 2.028 122.098 120.200 -0.216 0.000 2.149 129 E HA 0.328 4.681 4.350 0.005 0.000 0.255 129 E C -2.182 174.394 176.600 -0.040 0.000 0.888 129 E CA -1.789 54.556 56.400 -0.092 0.000 0.742 129 E CB 0.589 30.253 29.700 -0.061 0.000 1.164 129 E HN 0.369 nan 8.360 nan 0.000 0.422 130 P HA 0.105 nan 4.420 nan 0.000 0.272 130 P C -2.469 174.871 177.300 0.067 0.000 1.223 130 P CA -1.298 61.860 63.100 0.096 0.000 0.784 130 P CB -0.005 31.825 31.700 0.217 0.000 0.923 131 P HA 0.258 nan 4.420 nan 0.000 0.284 131 P C -2.270 175.062 177.300 0.052 0.000 1.343 131 P CA -1.188 61.938 63.100 0.044 0.000 0.826 131 P CB -0.164 31.558 31.700 0.037 0.000 0.956 136 D N 5.555 125.988 120.400 0.055 0.000 2.479 136 D HA 0.146 4.789 4.640 0.005 0.000 0.257 136 D C -0.642 175.718 176.300 0.100 0.000 1.230 136 D CA -1.319 52.721 54.000 0.067 0.000 0.912 136 D CB 1.303 42.135 40.800 0.053 0.000 1.130 136 D HN 0.172 nan 8.370 nan 0.000 0.515 137 P HA -0.192 nan 4.420 nan 0.000 0.215 137 P C 0.804 178.202 177.300 0.163 0.000 1.157 137 P CA 1.083 64.315 63.100 0.220 0.000 0.874 137 P CB 0.297 32.185 31.700 0.314 0.000 0.790 138 D N 0.023 120.486 120.400 0.105 0.000 2.182 138 D HA -0.113 4.530 4.640 0.005 0.000 0.201 138 D C 2.115 178.462 176.300 0.078 0.000 0.986 138 D CA 1.806 55.848 54.000 0.071 0.000 0.847 138 D CB -0.390 40.435 40.800 0.042 0.000 0.942 138 D HN 0.326 nan 8.370 nan 0.000 0.467 139 S N -0.125 115.625 115.700 0.082 0.000 2.481 139 S HA -0.018 4.455 4.470 0.005 0.000 0.231 139 S C 2.077 176.742 174.600 0.108 0.000 0.996 139 S CA 0.240 58.486 58.200 0.076 0.000 0.942 139 S CB -0.227 63.010 63.200 0.062 0.000 0.768 139 S HN 0.235 nan 8.310 nan 0.000 0.520 140 I N 0.500 121.156 120.570 0.144 0.000 2.628 140 I HA 0.103 4.276 4.170 0.005 0.000 0.255 140 I C 2.211 178.499 176.117 0.285 0.000 1.119 140 I CA 0.518 61.941 61.300 0.204 0.000 1.448 140 I CB -0.165 37.945 38.000 0.183 0.000 1.133 140 I HN 0.215 nan 8.210 nan 0.000 0.438 141 L N 0.400 121.753 121.223 0.215 0.000 2.109 141 L HA -0.094 4.249 4.340 0.005 0.000 0.207 141 L C 2.735 179.725 176.870 0.201 0.000 1.086 141 L CA 1.018 55.983 54.840 0.209 0.000 0.760 141 L CB -0.471 41.650 42.059 0.104 0.000 0.910 141 L HN 0.172 nan 8.230 nan 0.000 0.437 142 R N 0.404 120.975 120.500 0.118 0.000 2.103 142 R HA -0.183 4.160 4.340 0.005 0.000 0.242 142 R C -0.483 175.845 176.300 0.047 0.000 1.142 142 R CA 1.853 57.983 56.100 0.049 0.000 0.960 142 R CB -1.072 29.242 30.300 0.024 0.000 0.858 142 R HN 0.239 nan 8.270 nan 0.000 0.439 143 P HA -0.111 nan 4.420 nan 0.000 0.218 143 P C 0.612 177.847 177.300 -0.109 0.000 1.149 143 P CA 1.332 64.394 63.100 -0.063 0.000 0.817 143 P CB -0.054 31.554 31.700 -0.153 0.000 0.785 144 F N -0.073 119.925 119.950 0.080 0.000 2.293 144 F HA 0.017 4.547 4.527 0.006 0.000 0.297 144 F C 2.412 178.328 175.800 0.194 0.000 1.089 144 F CA 1.073 59.166 58.000 0.155 0.000 1.377 144 F CB -0.537 38.557 39.000 0.157 0.000 1.051 144 F HN -0.191 nan 8.300 nan 0.000 0.511 145 K N 0.892 121.417 120.400 0.208 0.000 2.026 145 K HA -0.209 4.114 4.320 0.005 0.000 0.208 145 K C 1.842 178.361 176.600 -0.135 0.000 1.048 145 K CA 1.882 58.142 56.287 -0.045 0.000 0.929 145 K CB -0.156 32.201 32.500 -0.239 0.000 0.713 145 K HN 0.258 nan 8.250 nan 0.000 0.439 146 E N -0.366 119.796 120.200 -0.063 0.000 2.110 146 E HA -0.210 4.143 4.350 0.005 0.000 0.193 146 E C 1.850 178.514 176.600 0.108 0.000 0.988 146 E CA 1.230 57.623 56.400 -0.012 0.000 0.804 146 E CB -0.202 29.492 29.700 -0.009 0.000 0.745 146 E HN 0.323 nan 8.360 nan 0.000 0.458 147 F N 1.336 121.277 119.950 -0.014 0.000 2.102 147 F HA -0.210 4.320 4.527 0.005 0.000 0.298 147 F C 2.136 178.005 175.800 0.115 0.000 1.105 147 F CA 1.097 59.089 58.000 -0.013 0.000 1.239 147 F CB -0.117 38.828 39.000 -0.092 0.000 0.991 147 F HN 0.003 nan 8.300 nan 0.000 0.474 148 L N -0.628 120.862 121.223 0.444 0.000 2.056 148 L HA -0.204 4.139 4.340 0.005 0.000 0.207 148 L C 2.030 179.044 176.870 0.240 0.000 1.078 148 L CA 1.810 56.899 54.840 0.414 0.000 0.749 148 L CB -1.276 41.068 42.059 0.476 0.000 0.901 148 L HN 0.145 nan 8.230 nan 0.000 0.433 149 Y N -0.303 120.001 120.300 0.007 0.000 2.242 149 Y HA -0.108 4.445 4.550 0.005 0.000 0.291 149 Y C 2.829 178.676 175.900 -0.089 0.000 1.137 149 Y CA 1.087 59.155 58.100 -0.054 0.000 1.181 149 Y CB -1.055 37.398 38.460 -0.013 0.000 0.989 149 Y HN 0.232 nan 8.280 nan 0.000 0.527 150 S N -1.147 114.595 115.700 0.070 0.000 2.428 150 S HA -0.184 4.289 4.470 0.005 0.000 0.230 150 S C 1.810 176.345 174.600 -0.110 0.000 1.014 150 S CA 0.869 59.041 58.200 -0.047 0.000 0.957 150 S CB -0.521 62.623 63.200 -0.093 0.000 0.784 150 S HN 0.566 nan 8.310 nan 0.000 0.499 151 Y N 2.593 122.733 120.300 -0.267 0.000 2.153 151 Y HA 0.013 4.566 4.550 0.006 0.000 0.289 151 Y C 1.942 177.654 175.900 -0.314 0.000 1.127 151 Y CA 1.554 59.478 58.100 -0.293 0.000 1.131 151 Y CB -0.105 38.175 38.460 -0.300 0.000 0.995 151 Y HN 0.301 nan 8.280 nan 0.000 0.505 152 I N -2.995 117.448 120.570 -0.211 0.000 3.603 152 I HA 0.379 4.552 4.170 0.005 0.000 0.297 152 I C 1.277 177.226 176.117 -0.279 0.000 1.269 152 I CA 0.757 61.828 61.300 -0.381 0.000 1.361 152 I CB -0.330 37.241 38.000 -0.716 0.000 1.063 152 I HN 0.280 nan 8.210 nan 0.000 0.448 153 G N 2.603 111.272 108.800 -0.218 0.000 2.291 153 G HA2 -0.185 3.778 3.960 0.005 0.000 0.271 153 G HA3 -0.185 3.778 3.960 0.005 0.000 0.271 153 G C 0.015 174.807 174.900 -0.180 0.000 1.099 153 G CA 0.099 45.097 45.100 -0.170 0.000 0.919 153 G HN 0.277 nan 8.290 nan 0.000 0.496 154 V N 0.839 120.607 119.914 -0.243 0.000 2.814 154 V HA 0.180 4.303 4.120 0.005 0.000 0.307 154 V C -0.870 175.130 176.094 -0.157 0.000 1.089 154 V CA -0.347 61.773 62.300 -0.300 0.000 1.212 154 V CB 0.552 31.974 31.823 -0.669 0.000 0.912 154 V HN 0.385 nan 8.190 nan 0.000 0.497 155 P HA 0.175 nan 4.420 nan 0.000 0.268 155 P C 0.162 177.441 177.300 -0.036 0.000 1.204 155 P CA -0.043 63.014 63.100 -0.071 0.000 0.768 155 P CB 0.409 32.063 31.700 -0.076 0.000 0.842 156 K N 1.191 121.584 120.400 -0.012 0.000 2.361 156 K HA 0.193 4.516 4.320 0.005 0.000 0.194 156 K C 1.236 177.841 176.600 0.008 0.000 1.032 156 K CA 0.194 56.487 56.287 0.010 0.000 1.048 156 K CB 0.454 32.963 32.500 0.016 0.000 0.842 156 K HN 0.574 nan 8.250 nan 0.000 0.526 157 G N 0.344 109.143 108.800 -0.001 0.000 3.234 157 G HA2 0.051 4.014 3.960 0.005 0.000 0.159 157 G HA3 0.051 4.014 3.960 0.005 0.000 0.159 157 G C -0.287 174.610 174.900 -0.004 0.000 1.175 157 G CA -0.283 44.819 45.100 0.003 0.000 0.900 157 G HN -0.115 nan 8.290 nan 0.000 0.621 158 D N 0.168 120.570 120.400 0.004 0.000 2.355 158 D HA 0.099 4.742 4.640 0.005 0.000 0.206 158 D C 0.367 176.662 176.300 -0.009 0.000 1.010 158 D CA 0.335 54.337 54.000 0.003 0.000 0.875 158 D CB 0.656 41.474 40.800 0.030 0.000 0.966 158 D HN 0.409 nan 8.370 nan 0.000 0.512 159 E N 2.199 122.401 120.200 0.002 0.000 2.360 159 E HA 0.079 4.432 4.350 0.005 0.000 0.269 159 E C -1.955 174.613 176.600 -0.052 0.000 1.022 159 E CA -1.282 55.121 56.400 0.004 0.000 0.887 159 E CB 0.942 30.659 29.700 0.028 0.000 0.990 159 E HN 0.001 nan 8.360 nan 0.000 0.426 160 P HA 0.155 nan 4.420 nan 0.000 0.226 160 P C -0.827 176.419 177.300 -0.091 0.000 1.758 160 P CA 0.166 63.171 63.100 -0.159 0.000 0.896 160 P CB -0.019 31.513 31.700 -0.280 0.000 1.784 161 I N 0.991 121.532 120.570 -0.049 0.000 2.474 161 I HA 0.354 4.527 4.170 0.005 0.000 0.294 161 I C 0.509 176.614 176.117 -0.019 0.000 1.005 161 I CA -1.407 59.889 61.300 -0.006 0.000 1.113 161 I CB 1.978 39.994 38.000 0.027 0.000 1.289 161 I HN -0.065 nan 8.210 nan 0.000 0.436 162 L N 5.456 126.672 121.223 -0.013 0.000 2.344 162 L HA 0.534 4.877 4.340 0.005 0.000 0.272 162 L C 0.424 177.256 176.870 -0.063 0.000 1.035 162 L CA -0.694 54.096 54.840 -0.083 0.000 0.807 162 L CB 1.187 43.155 42.059 -0.151 0.000 1.237 162 L HN 0.378 nan 8.230 nan 0.000 0.442 163 K N 3.233 123.567 120.400 -0.111 0.000 2.687 163 K HA 0.380 4.703 4.320 0.005 0.000 0.197 163 K C -2.683 173.814 176.600 -0.171 0.000 1.049 163 K CA -1.796 54.442 56.287 -0.082 0.000 1.030 163 K CB 1.318 33.809 32.500 -0.016 0.000 1.261 163 K HN 0.158 nan 8.250 nan 0.000 0.565 164 P HA 0.020 nan 4.420 nan 0.000 0.269 164 P C -0.052 177.133 177.300 -0.192 0.000 1.215 164 P CA -0.061 62.880 63.100 -0.266 0.000 0.780 164 P CB 0.565 32.095 31.700 -0.282 0.000 0.898 165 S N 1.808 117.367 115.700 -0.234 0.000 2.576 165 S HA 0.004 4.477 4.470 0.005 0.000 0.272 165 S C 1.184 175.732 174.600 -0.085 0.000 1.352 165 S CA -0.482 57.622 58.200 -0.161 0.000 1.021 165 S CB -0.044 63.038 63.200 -0.196 0.000 0.887 165 S HN 0.386 nan 8.310 nan 0.000 0.542 166 L N 1.366 122.584 121.223 -0.008 0.000 2.046 166 L HA 0.042 4.385 4.340 0.005 0.000 0.208 166 L C 1.988 178.935 176.870 0.129 0.000 1.077 166 L CA 1.771 56.652 54.840 0.068 0.000 0.747 166 L CB -1.302 40.796 42.059 0.065 0.000 0.896 166 L HN 0.833 nan 8.230 nan 0.000 0.432 167 F N 0.585 120.494 119.950 -0.068 0.000 2.095 167 F HA -0.211 4.319 4.527 0.005 0.000 0.298 167 F C 2.342 178.085 175.800 -0.096 0.000 1.104 167 F CA 1.643 59.608 58.000 -0.058 0.000 1.232 167 F CB -0.890 38.062 39.000 -0.081 0.000 0.987 167 F HN 0.163 nan 8.300 nan 0.000 0.475 168 A N -0.898 121.659 122.820 -0.438 0.000 1.940 168 A HA -0.268 4.055 4.320 0.005 0.000 0.219 168 A C 2.173 179.692 177.584 -0.107 0.000 1.176 168 A CA 1.781 53.431 52.037 -0.644 0.000 0.631 168 A CB -1.658 16.727 19.000 -1.025 0.000 0.814 168 A HN 0.625 nan 8.150 nan 0.000 0.446 169 Y N 0.231 120.466 120.300 -0.109 0.000 2.163 169 Y HA -0.116 4.437 4.550 0.005 0.000 0.288 169 Y C 2.022 178.006 175.900 0.141 0.000 1.136 169 Y CA 1.747 59.887 58.100 0.066 0.000 1.147 169 Y CB -0.188 38.307 38.460 0.059 0.000 0.987 169 Y HN 0.257 nan 8.280 nan 0.000 0.509 170 I N -1.091 119.581 120.570 0.170 0.000 2.286 170 I HA -0.299 3.874 4.170 0.005 0.000 0.248 170 I C 2.132 178.226 176.117 -0.039 0.000 1.115 170 I CA 1.104 62.449 61.300 0.075 0.000 1.392 170 I CB -0.469 37.588 38.000 0.096 0.000 1.065 170 I HN 0.069 nan 8.210 nan 0.000 0.418 171 V N 0.449 120.272 119.914 -0.151 0.000 2.515 171 V HA -0.273 3.850 4.120 0.005 0.000 0.250 171 V C 2.224 178.356 176.094 0.064 0.000 1.058 171 V CA 1.620 63.839 62.300 -0.135 0.000 1.064 171 V CB -0.677 30.965 31.823 -0.301 0.000 0.675 171 V HN 0.374 nan 8.190 nan 0.000 0.461 172 F N 0.624 120.565 119.950 -0.016 0.000 2.102 172 F HA -0.157 4.373 4.527 0.005 0.000 0.298 172 F C 1.994 177.821 175.800 0.045 0.000 1.105 172 F CA 1.571 59.607 58.000 0.061 0.000 1.239 172 F CB -0.375 38.657 39.000 0.054 0.000 0.991 172 F HN 0.044 nan 8.300 nan 0.000 0.474 173 L N -0.030 121.124 121.223 -0.114 0.000 2.042 173 L HA -0.272 4.071 4.340 0.005 0.000 0.210 173 L C 2.518 179.303 176.870 -0.141 0.000 1.076 173 L CA 1.624 56.340 54.840 -0.207 0.000 0.749 173 L CB -0.717 41.265 42.059 -0.127 0.000 0.893 173 L HN 0.169 nan 8.230 nan 0.000 0.432 174 I N -0.942 119.594 120.570 -0.057 0.000 2.226 174 I HA -0.277 3.896 4.170 0.005 0.000 0.245 174 I C 2.460 178.631 176.117 0.090 0.000 1.100 174 I CA 1.460 62.775 61.300 0.025 0.000 1.374 174 I CB -0.494 37.515 38.000 0.015 0.000 1.057 174 I HN 0.259 nan 8.210 nan 0.000 0.413 175 T N 0.680 115.256 114.554 0.037 0.000 2.746 175 T HA -0.137 4.216 4.350 0.005 0.000 0.267 175 T C 1.963 176.665 174.700 0.003 0.000 1.039 175 T CA 1.172 63.335 62.100 0.106 0.000 1.142 175 T CB -0.079 68.890 68.868 0.168 0.000 0.866 175 T HN 0.144 nan 8.240 nan 0.000 0.444 176 M N 0.544 120.037 119.600 -0.178 0.000 2.117 176 M HA 0.020 4.503 4.480 0.005 0.000 0.262 176 M C 2.099 178.346 176.300 -0.087 0.000 1.065 176 M CA 1.286 56.468 55.300 -0.196 0.000 1.114 176 M CB -1.299 31.093 32.600 -0.347 0.000 1.361 176 M HN 0.288 nan 8.290 nan 0.000 0.408 177 F N 1.150 120.998 119.950 -0.170 0.000 2.134 177 F HA -0.177 4.353 4.527 0.005 0.000 0.299 177 F C 2.101 177.848 175.800 -0.088 0.000 1.097 177 F CA 1.442 59.366 58.000 -0.126 0.000 1.264 177 F CB -0.302 38.633 39.000 -0.109 0.000 1.001 177 F HN 0.015 nan 8.300 nan 0.000 0.479 178 I N 0.299 120.823 120.570 -0.078 0.000 2.252 178 I HA -0.308 3.865 4.170 0.005 0.000 0.245 178 I C 2.255 178.208 176.117 -0.273 0.000 1.102 178 I CA 1.205 62.407 61.300 -0.163 0.000 1.385 178 I CB -0.674 37.387 38.000 0.101 0.000 1.064 178 I HN 0.207 nan 8.210 nan 0.000 0.414 179 N N 0.577 119.164 118.700 -0.189 0.000 2.104 179 N HA -0.152 4.591 4.740 0.005 0.000 0.190 179 N C 1.966 177.333 175.510 -0.239 0.000 1.024 179 N CA 1.354 54.281 53.050 -0.205 0.000 0.853 179 N CB -0.073 38.344 38.487 -0.115 0.000 1.008 179 N HN 0.164 nan 8.380 nan 0.000 0.424 180 V N 1.576 121.335 119.914 -0.259 0.000 2.358 180 V HA -0.204 3.919 4.120 0.005 0.000 0.246 180 V C 2.639 178.530 176.094 -0.338 0.000 1.047 180 V CA 1.930 64.076 62.300 -0.258 0.000 1.035 180 V CB -0.630 31.053 31.823 -0.233 0.000 0.658 180 V HN 0.443 nan 8.190 nan 0.000 0.452 181 S N 0.043 115.436 115.700 -0.511 0.000 2.400 181 S HA -0.187 4.286 4.470 0.005 0.000 0.232 181 S C 1.897 176.301 174.600 -0.326 0.000 1.025 181 S CA 1.890 59.797 58.200 -0.489 0.000 0.993 181 S CB -0.595 62.215 63.200 -0.649 0.000 0.808 181 S HN 0.559 nan 8.310 nan 0.000 0.478 182 I N 0.859 121.225 120.570 -0.339 0.000 2.277 182 I HA -0.010 4.163 4.170 0.005 0.000 0.243 182 I C 2.440 178.426 176.117 -0.218 0.000 1.094 182 I CA 0.859 61.980 61.300 -0.299 0.000 1.393 182 I CB -0.299 37.444 38.000 -0.429 0.000 1.078 182 I HN 0.246 nan 8.210 nan 0.000 0.417 183 L N 0.251 121.352 121.223 -0.203 0.000 2.141 183 L HA -0.176 4.167 4.340 0.005 0.000 0.209 183 L C 2.472 179.251 176.870 -0.153 0.000 1.094 183 L CA 1.264 56.011 54.840 -0.156 0.000 0.763 183 L CB -0.260 41.728 42.059 -0.117 0.000 0.908 183 L HN 0.247 nan 8.230 nan 0.000 0.437 184 I N -0.411 120.063 120.570 -0.159 0.000 2.756 184 I HA -0.221 3.952 4.170 0.005 0.000 0.262 184 I C 2.321 178.355 176.117 -0.139 0.000 1.225 184 I CA 0.946 62.163 61.300 -0.138 0.000 1.472 184 I CB -0.032 37.885 38.000 -0.138 0.000 1.094 184 I HN 0.182 nan 8.210 nan 0.000 0.454 185 R N 0.704 121.115 120.500 -0.148 0.000 2.275 185 R HA 0.206 4.549 4.340 0.005 0.000 0.199 185 R C 1.026 177.228 176.300 -0.164 0.000 0.989 185 R CA 0.524 56.541 56.100 -0.137 0.000 1.016 185 R CB 0.019 30.249 30.300 -0.118 0.000 0.918 185 R HN 0.499 nan 8.270 nan 0.000 0.473 186 G N 0.870 109.551 108.800 -0.198 0.000 2.615 186 G HA2 -0.242 3.721 3.960 0.005 0.000 0.218 186 G HA3 -0.242 3.721 3.960 0.005 0.000 0.218 186 G C 0.404 175.090 174.900 -0.355 0.000 1.339 186 G CA -0.487 44.448 45.100 -0.275 0.000 0.884 186 G HN -0.041 nan 8.290 nan 0.000 0.559 187 I N 1.294 121.539 120.570 -0.541 0.000 2.141 187 I HA -0.077 4.096 4.170 0.005 0.000 0.236 187 I C 3.242 179.063 176.117 -0.494 0.000 1.071 187 I CA 2.910 63.742 61.300 -0.780 0.000 1.345 187 I CB -1.687 35.501 38.000 -1.353 0.000 1.066 187 I HN 0.887 nan 8.210 nan 0.000 0.406 188 S N 0.826 116.302 115.700 -0.374 0.000 2.377 188 S HA -0.084 4.389 4.470 0.005 0.000 0.223 188 S C 1.826 176.379 174.600 -0.079 0.000 1.030 188 S CA 0.650 58.757 58.200 -0.155 0.000 0.970 188 S CB -0.340 62.794 63.200 -0.110 0.000 0.830 188 S HN 0.389 nan 8.310 nan 0.000 0.473 189 K N 0.915 121.249 120.400 -0.109 0.000 2.400 189 K HA 0.234 4.558 4.320 0.005 0.000 0.194 189 K C 1.840 178.405 176.600 -0.059 0.000 1.033 189 K CA 0.571 56.818 56.287 -0.066 0.000 1.021 189 K CB 0.079 32.535 32.500 -0.073 0.000 0.808 189 K HN 0.515 nan 8.250 nan 0.000 0.505 190 G N 1.043 109.786 108.800 -0.094 0.000 2.687 190 G HA2 0.016 3.979 3.960 0.005 0.000 0.222 190 G HA3 0.016 3.979 3.960 0.005 0.000 0.222 190 G C 1.332 176.216 174.900 -0.026 0.000 1.445 190 G CA -0.255 44.794 45.100 -0.086 0.000 0.836 190 G HN -0.033 nan 8.290 nan 0.000 0.598 191 I N 0.904 121.439 120.570 -0.058 0.000 2.179 191 I HA -0.120 4.053 4.170 0.005 0.000 0.242 191 I C 2.679 178.889 176.117 0.154 0.000 1.088 191 I CA 1.628 62.955 61.300 0.045 0.000 1.357 191 I CB -0.168 37.820 38.000 -0.019 0.000 1.051 191 I HN 0.350 nan 8.210 nan 0.000 0.409 192 E N 1.315 121.621 120.200 0.178 0.000 2.047 192 E HA -0.214 4.139 4.350 0.005 0.000 0.191 192 E C 2.425 179.095 176.600 0.117 0.000 0.987 192 E CA 1.020 57.556 56.400 0.226 0.000 0.799 192 E CB 0.068 29.962 29.700 0.323 0.000 0.752 192 E HN 0.341 nan 8.360 nan 0.000 0.449 193 R N -0.454 120.102 120.500 0.093 0.000 2.096 193 R HA -0.150 4.193 4.340 0.005 0.000 0.235 193 R C 2.336 178.694 176.300 0.096 0.000 1.127 193 R CA 1.360 57.506 56.100 0.077 0.000 0.968 193 R CB -0.444 29.894 30.300 0.063 0.000 0.861 193 R HN 0.256 nan 8.270 nan 0.000 0.440 194 F N 1.403 121.331 119.950 -0.037 0.000 2.146 194 F HA -0.084 4.446 4.527 0.005 0.000 0.298 194 F C 2.290 178.044 175.800 -0.078 0.000 1.096 194 F CA 1.081 59.035 58.000 -0.076 0.000 1.275 194 F CB -0.396 38.529 39.000 -0.124 0.000 1.008 194 F HN -0.034 nan 8.300 nan 0.000 0.480 195 A N 0.184 122.971 122.820 -0.055 0.000 1.940 195 A HA -0.218 4.105 4.320 0.005 0.000 0.219 195 A C 2.243 179.737 177.584 -0.150 0.000 1.176 195 A CA 1.754 53.713 52.037 -0.130 0.000 0.631 195 A CB -0.680 18.311 19.000 -0.016 0.000 0.814 195 A HN 0.441 nan 8.150 nan 0.000 0.446 196 K N -0.788 119.559 120.400 -0.089 0.000 2.283 196 K HA 0.020 4.343 4.320 0.005 0.000 0.202 196 K C 1.504 178.059 176.600 -0.075 0.000 1.048 196 K CA 1.206 57.458 56.287 -0.059 0.000 0.948 196 K CB -0.201 32.290 32.500 -0.015 0.000 0.742 196 K HN 0.600 nan 8.250 nan 0.000 0.458 197 I N -0.141 120.339 120.570 -0.150 0.000 2.628 197 I HA -0.066 4.107 4.170 0.005 0.000 0.255 197 I C 2.342 178.365 176.117 -0.158 0.000 1.119 197 I CA 0.435 61.661 61.300 -0.123 0.000 1.448 197 I CB -0.105 37.823 38.000 -0.120 0.000 1.133 197 I HN -0.003 nan 8.210 nan 0.000 0.438 198 A N 1.036 123.571 122.820 -0.476 0.000 1.929 198 A HA -0.107 4.216 4.320 0.005 0.000 0.216 198 A C 2.313 179.854 177.584 -0.072 0.000 1.176 198 A CA 1.181 52.951 52.037 -0.445 0.000 0.628 198 A CB -0.296 17.968 19.000 -1.227 0.000 0.816 198 A HN 0.208 nan 8.150 nan 0.000 0.444 199 M N -0.446 119.097 119.600 -0.095 0.000 2.132 199 M HA -0.034 4.449 4.480 0.005 0.000 0.263 199 M C -0.499 175.861 176.300 0.100 0.000 1.065 199 M CA 1.270 56.579 55.300 0.015 0.000 1.122 199 M CB -2.488 30.103 32.600 -0.015 0.000 1.365 199 M HN 0.146 nan 8.290 nan 0.000 0.411 200 P HA -0.066 nan 4.420 nan 0.000 0.217 200 P C 1.567 178.985 177.300 0.197 0.000 1.150 200 P CA 1.420 64.608 63.100 0.148 0.000 0.832 200 P CB -0.347 31.407 31.700 0.089 0.000 0.787 201 T N 0.376 115.030 114.554 0.166 0.000 2.684 201 T HA -0.166 4.187 4.350 0.005 0.000 0.267 201 T C 1.742 176.535 174.700 0.155 0.000 1.036 201 T CA 1.090 63.292 62.100 0.170 0.000 1.148 201 T CB -1.045 67.982 68.868 0.266 0.000 0.863 201 T HN 0.067 nan 8.240 nan 0.000 0.436 202 L N 0.079 121.421 121.223 0.198 0.000 2.042 202 L HA -0.092 4.251 4.340 0.005 0.000 0.210 202 L C 2.280 179.245 176.870 0.157 0.000 1.076 202 L CA 1.643 56.572 54.840 0.148 0.000 0.749 202 L CB -0.386 41.777 42.059 0.173 0.000 0.893 202 L HN 0.234 nan 8.230 nan 0.000 0.432 203 F N 0.735 120.731 119.950 0.077 0.000 2.102 203 F HA -0.253 4.277 4.527 0.005 0.000 0.298 203 F C 2.100 177.941 175.800 0.068 0.000 1.105 203 F CA 1.932 59.981 58.000 0.080 0.000 1.239 203 F CB -0.312 38.725 39.000 0.063 0.000 0.991 203 F HN 0.012 nan 8.300 nan 0.000 0.474 204 I N -0.075 120.463 120.570 -0.052 0.000 2.226 204 I HA -0.315 3.858 4.170 0.005 0.000 0.245 204 I C 2.412 178.464 176.117 -0.108 0.000 1.100 204 I CA 1.211 62.420 61.300 -0.152 0.000 1.374 204 I CB -0.589 37.406 38.000 -0.008 0.000 1.057 204 I HN 0.189 nan 8.210 nan 0.000 0.413 205 L N 0.519 121.709 121.223 -0.055 0.000 2.046 205 L HA -0.220 4.123 4.340 0.005 0.000 0.208 205 L C 2.850 179.711 176.870 -0.015 0.000 1.077 205 L CA 1.441 56.259 54.840 -0.037 0.000 0.747 205 L CB -0.703 41.316 42.059 -0.066 0.000 0.896 205 L HN 0.254 nan 8.230 nan 0.000 0.432 206 A N -0.479 122.303 122.820 -0.065 0.000 1.873 206 A HA -0.135 4.188 4.320 0.005 0.000 0.215 206 A C 2.326 179.864 177.584 -0.076 0.000 1.186 206 A CA 1.640 53.660 52.037 -0.028 0.000 0.616 206 A CB -0.818 18.238 19.000 0.094 0.000 0.823 206 A HN 0.174 nan 8.150 nan 0.000 0.442 207 V N -1.091 118.690 119.914 -0.221 0.000 2.332 207 V HA -0.254 3.869 4.120 0.005 0.000 0.248 207 V C 2.285 178.288 176.094 -0.153 0.000 1.055 207 V CA 2.177 64.320 62.300 -0.262 0.000 1.038 207 V CB -0.964 30.586 31.823 -0.455 0.000 0.651 207 V HN 0.624 nan 8.190 nan 0.000 0.450 208 F N 0.338 120.165 119.950 -0.205 0.000 2.126 208 F HA -0.206 4.325 4.527 0.006 0.000 0.299 208 F C 2.024 177.732 175.800 -0.152 0.000 1.096 208 F CA 1.740 59.648 58.000 -0.154 0.000 1.255 208 F CB -0.247 38.681 39.000 -0.120 0.000 0.997 208 F HN 0.037 nan 8.300 nan 0.000 0.479 209 L N -1.024 120.116 121.223 -0.137 0.000 2.156 209 L HA -0.174 4.169 4.340 0.005 0.000 0.208 209 L C 2.337 179.050 176.870 -0.261 0.000 1.095 209 L CA 0.633 55.347 54.840 -0.211 0.000 0.770 209 L CB -0.673 41.383 42.059 -0.005 0.000 0.914 209 L HN -0.006 nan 8.230 nan 0.000 0.439 210 V N 0.221 119.974 119.914 -0.268 0.000 2.343 210 V HA -0.290 3.833 4.120 0.005 0.000 0.247 210 V C 2.301 178.011 176.094 -0.640 0.000 1.051 210 V CA 1.780 63.809 62.300 -0.452 0.000 1.036 210 V CB -0.254 31.268 31.823 -0.503 0.000 0.654 210 V HN 0.307 nan 8.190 nan 0.000 0.451 211 I N -0.238 120.034 120.570 -0.496 0.000 2.179 211 I HA -0.256 3.917 4.170 0.005 0.000 0.242 211 I C 2.728 178.668 176.117 -0.295 0.000 1.088 211 I CA 1.711 62.786 61.300 -0.375 0.000 1.357 211 I CB -0.401 37.421 38.000 -0.297 0.000 1.051 211 I HN 0.228 nan 8.210 nan 0.000 0.409 212 R N 1.034 121.261 120.500 -0.455 0.000 2.091 212 R HA -0.140 4.203 4.340 0.005 0.000 0.238 212 R C 2.054 178.260 176.300 -0.157 0.000 1.136 212 R CA 1.730 57.599 56.100 -0.384 0.000 0.959 212 R CB -0.897 29.040 30.300 -0.604 0.000 0.856 212 R HN 0.167 nan 8.270 nan 0.000 0.437 213 V N 0.295 120.149 119.914 -0.101 0.000 2.427 213 V HA -0.168 3.955 4.120 0.005 0.000 0.248 213 V C 1.780 178.024 176.094 0.251 0.000 1.051 213 V CA 1.445 63.798 62.300 0.088 0.000 1.048 213 V CB -0.645 31.246 31.823 0.114 0.000 0.666 213 V HN 0.218 nan 8.190 nan 0.000 0.456 214 F N -0.304 119.622 119.950 -0.041 0.000 2.546 214 F HA 0.015 4.547 4.527 0.009 0.000 0.298 214 F C 1.816 177.602 175.800 -0.023 0.000 1.120 214 F CA 0.679 58.666 58.000 -0.021 0.000 1.456 214 F CB -0.672 38.313 39.000 -0.026 0.000 1.088 214 F HN 0.146 nan 8.300 nan 0.000 0.572 215 L N -0.802 120.507 121.223 0.144 0.000 2.567 215 L HA 0.071 4.414 4.340 0.005 0.000 0.225 215 L C 0.544 177.447 176.870 0.054 0.000 1.119 215 L CA -0.011 54.867 54.840 0.064 0.000 0.871 215 L CB -0.188 41.883 42.059 0.019 0.000 1.036 215 L HN -0.146 nan 8.230 nan 0.000 0.459 216 L N 1.191 122.468 121.223 0.089 0.000 2.410 216 L HA 0.134 4.478 4.340 0.005 0.000 0.273 216 L C 0.138 177.026 176.870 0.030 0.000 1.144 216 L CA 0.492 55.397 54.840 0.109 0.000 0.863 216 L CB 0.498 42.689 42.059 0.219 0.000 1.140 216 L HN 0.128 nan 8.230 nan 0.000 0.463 217 E N 2.574 122.752 120.200 -0.036 0.000 2.304 217 E HA 0.496 4.849 4.350 0.005 0.000 0.277 217 E C -1.081 175.396 176.600 -0.205 0.000 0.898 217 E CA -0.561 55.779 56.400 -0.101 0.000 0.764 217 E CB 1.993 31.650 29.700 -0.071 0.000 1.216 217 E HN 0.619 nan 8.360 nan 0.000 0.419 218 T N 0.399 114.788 114.554 -0.275 0.000 2.804 218 T HA 0.497 4.851 4.350 0.005 0.000 0.290 218 T C -2.181 172.373 174.700 -0.242 0.000 1.099 218 T CA -1.567 60.312 62.100 -0.368 0.000 1.011 218 T CB 1.267 69.723 68.868 -0.686 0.000 1.291 218 T HN 0.206 nan 8.240 nan 0.000 0.523 219 P HA 0.064 nan 4.420 nan 0.000 0.225 219 P C 0.937 178.158 177.300 -0.132 0.000 1.148 219 P CA 0.692 63.704 63.100 -0.147 0.000 0.779 219 P CB 0.001 31.625 31.700 -0.127 0.000 0.780 220 N N -1.034 117.565 118.700 -0.168 0.000 2.373 220 N HA 0.144 4.888 4.740 0.005 0.000 0.181 220 N C 1.143 176.592 175.510 -0.102 0.000 1.082 220 N CA 0.994 53.971 53.050 -0.121 0.000 0.885 220 N CB 0.567 38.980 38.487 -0.123 0.000 0.977 220 N HN 0.171 nan 8.380 nan 0.000 0.462 221 G N -0.691 108.035 108.800 -0.122 0.000 2.343 221 G HA2 0.214 4.177 3.960 0.005 0.000 0.289 221 G HA3 0.214 4.177 3.960 0.005 0.000 0.289 221 G C -1.275 173.571 174.900 -0.090 0.000 1.295 221 G CA -0.261 44.787 45.100 -0.087 0.000 0.869 221 G HN 0.166 nan 8.290 nan 0.000 0.522 222 T N -2.841 111.677 114.554 -0.061 0.000 2.907 222 T HA 0.745 5.099 4.350 0.005 0.000 0.290 222 T C 1.546 176.224 174.700 -0.036 0.000 1.066 222 T CA 0.661 62.730 62.100 -0.053 0.000 1.012 222 T CB 1.599 70.430 68.868 -0.062 0.000 1.184 222 T HN 2.034 nan 8.240 nan 0.000 0.522 223 A N 0.633 123.433 122.820 -0.032 0.000 1.978 223 A HA 0.221 4.544 4.320 0.005 0.000 0.220 223 A C 2.550 180.059 177.584 -0.125 0.000 1.170 223 A CA 1.960 53.975 52.037 -0.037 0.000 0.636 223 A CB -1.535 17.462 19.000 -0.005 0.000 0.810 223 A HN 1.348 nan 8.150 nan 0.000 0.448 224 A N 0.284 123.004 122.820 -0.167 0.000 1.940 224 A HA -0.231 4.092 4.320 0.005 0.000 0.219 224 A C 1.722 179.273 177.584 -0.056 0.000 1.176 224 A CA 1.924 53.866 52.037 -0.158 0.000 0.631 224 A CB -0.582 18.338 19.000 -0.133 0.000 0.814 224 A HN 0.488 nan 8.150 nan 0.000 0.446 225 D N -0.337 120.046 120.400 -0.029 0.000 2.144 225 D HA -0.092 4.551 4.640 0.005 0.000 0.199 225 D C 2.044 178.380 176.300 0.061 0.000 0.984 225 D CA 1.413 55.420 54.000 0.011 0.000 0.834 225 D CB -0.683 40.112 40.800 -0.008 0.000 0.955 225 D HN 0.461 nan 8.370 nan 0.000 0.465 226 G N 0.907 109.739 108.800 0.053 0.000 2.404 226 G HA2 -0.182 3.782 3.960 0.005 0.000 0.215 226 G HA3 -0.182 3.782 3.960 0.005 0.000 0.215 226 G C 1.803 176.812 174.900 0.182 0.000 1.174 226 G CA 0.213 45.382 45.100 0.115 0.000 0.780 226 G HN 0.247 nan 8.290 nan 0.000 0.537 227 L N 0.639 121.944 121.223 0.136 0.000 2.079 227 L HA -0.102 4.241 4.340 0.005 0.000 0.210 227 L C 2.671 179.700 176.870 0.265 0.000 1.081 227 L CA 0.912 55.895 54.840 0.237 0.000 0.752 227 L CB -0.436 41.699 42.059 0.125 0.000 0.896 227 L HN 0.155 nan 8.230 nan 0.000 0.433 228 N N -0.055 118.744 118.700 0.164 0.000 2.188 228 N HA -0.194 4.549 4.740 0.005 0.000 0.184 228 N C 1.716 177.314 175.510 0.148 0.000 1.018 228 N CA 1.159 54.297 53.050 0.147 0.000 0.858 228 N CB -0.364 38.178 38.487 0.091 0.000 0.989 228 N HN 0.259 nan 8.380 nan 0.000 0.426 229 F N 1.552 121.509 119.950 0.012 0.000 2.171 229 F HA -0.072 4.456 4.527 0.002 0.000 0.300 229 F C 1.951 177.705 175.800 -0.077 0.000 1.090 229 F CA 0.764 58.744 58.000 -0.033 0.000 1.293 229 F CB -0.276 38.694 39.000 -0.050 0.000 1.013 229 F HN -0.040 nan 8.300 nan 0.000 0.486 230 L N -1.425 119.639 121.223 -0.267 0.000 2.313 230 L HA 0.008 4.351 4.340 0.005 0.000 0.214 230 L C 0.777 177.279 176.870 -0.613 0.000 1.119 230 L CA 1.524 56.014 54.840 -0.582 0.000 0.809 230 L CB -0.646 41.135 42.059 -0.463 0.000 0.933 230 L HN 0.261 nan 8.230 nan 0.000 0.449 231 W N -1.055 120.164 121.300 -0.135 0.000 2.846 231 W HA 0.322 4.983 4.660 0.002 0.000 0.391 231 W C 0.208 176.667 176.519 -0.100 0.000 1.011 231 W CA -0.415 56.877 57.345 -0.088 0.000 1.832 231 W CB 0.450 29.890 29.460 -0.033 0.000 1.151 231 W HN -0.220 nan 8.180 nan 0.000 0.582 232 T N 2.329 116.894 114.554 0.018 0.000 2.770 232 T HA 0.270 4.623 4.350 0.005 0.000 0.297 232 T C -2.410 172.203 174.700 -0.145 0.000 0.997 232 T CA -1.523 60.561 62.100 -0.027 0.000 0.949 232 T CB 1.217 70.075 68.868 -0.016 0.000 0.941 232 T HN -0.427 nan 8.240 nan 0.000 0.457 233 P HA 0.213 nan 4.420 nan 0.000 0.269 233 P C -0.584 176.430 177.300 -0.477 0.000 1.209 233 P CA -0.263 62.584 63.100 -0.422 0.000 0.776 233 P CB 0.523 31.842 31.700 -0.635 0.000 0.876 234 D N 2.145 122.253 120.400 -0.485 0.000 2.375 234 D HA 0.157 4.800 4.640 0.005 0.000 0.259 234 D C 0.012 176.156 176.300 -0.260 0.000 1.235 234 D CA -0.437 53.382 54.000 -0.302 0.000 0.924 234 D CB 0.183 40.889 40.800 -0.156 0.000 1.143 234 D HN 0.066 nan 8.370 nan 0.000 0.529 235 F N 1.375 121.338 119.950 0.022 0.000 2.641 235 F HA 0.050 4.578 4.527 0.002 0.000 0.298 235 F C 2.039 177.870 175.800 0.052 0.000 1.146 235 F CA 0.525 58.549 58.000 0.040 0.000 1.464 235 F CB 0.014 39.042 39.000 0.046 0.000 1.101 235 F HN 0.367 nan 8.300 nan 0.000 0.585 236 E N -0.100 120.198 120.200 0.163 0.000 2.481 236 E HA -0.059 4.294 4.350 0.005 0.000 0.195 236 E C 1.604 178.264 176.600 0.100 0.000 1.047 236 E CA 0.308 56.783 56.400 0.125 0.000 0.867 236 E CB 0.055 29.809 29.700 0.090 0.000 0.858 236 E HN 0.232 nan 8.360 nan 0.000 0.513 237 K N 0.168 120.613 120.400 0.075 0.000 2.353 237 K HA 0.145 4.468 4.320 0.005 0.000 0.195 237 K C 1.651 178.313 176.600 0.104 0.000 1.031 237 K CA 0.018 56.340 56.287 0.057 0.000 1.079 237 K CB 0.447 32.941 32.500 -0.011 0.000 0.857 237 K HN 0.175 nan 8.250 nan 0.000 0.535 238 L N 0.689 122.013 121.223 0.168 0.000 2.450 238 L HA -0.143 4.200 4.340 0.005 0.000 0.224 238 L C 1.206 178.376 176.870 0.499 0.000 1.149 238 L CA 1.059 56.102 54.840 0.337 0.000 0.816 238 L CB -0.120 42.158 42.059 0.365 0.000 0.932 238 L HN -0.042 nan 8.230 nan 0.000 0.449 239 K N -1.152 119.428 120.400 0.300 0.000 2.367 239 K HA 0.064 4.387 4.320 0.005 0.000 0.194 239 K C 0.196 176.929 176.600 0.221 0.000 1.027 239 K CA 0.061 56.485 56.287 0.229 0.000 1.075 239 K CB 0.016 32.602 32.500 0.145 0.000 0.845 239 K HN -0.044 nan 8.250 nan 0.000 0.529 240 D N 0.714 121.267 120.400 0.254 0.000 2.339 240 D HA 0.099 4.742 4.640 0.005 0.000 0.241 240 D C -1.915 174.576 176.300 0.318 0.000 1.183 240 D CA -2.321 51.806 54.000 0.212 0.000 0.859 240 D CB 1.538 42.419 40.800 0.136 0.000 1.067 240 D HN -0.133 nan 8.370 nan 0.000 0.484 241 P HA -0.068 nan 4.420 nan 0.000 0.215 241 P C 1.347 178.747 177.300 0.167 0.000 1.153 241 P CA 1.036 64.273 63.100 0.228 0.000 0.853 241 P CB 0.212 32.015 31.700 0.171 0.000 0.788 242 G N -0.285 108.589 108.800 0.123 0.000 2.442 242 G HA2 -0.247 3.716 3.960 0.005 0.000 0.219 242 G HA3 -0.247 3.716 3.960 0.005 0.000 0.219 242 G C 1.602 176.478 174.900 -0.039 0.000 1.141 242 G CA 0.813 45.888 45.100 -0.042 0.000 0.763 242 G HN 0.179 nan 8.290 nan 0.000 0.554 243 V N -0.680 119.257 119.914 0.038 0.000 2.427 243 V HA -0.125 3.998 4.120 0.005 0.000 0.248 243 V C 2.405 178.456 176.094 -0.072 0.000 1.051 243 V CA 1.554 63.848 62.300 -0.010 0.000 1.048 243 V CB -0.582 31.192 31.823 -0.082 0.000 0.666 243 V HN 0.567 nan 8.190 nan 0.000 0.456 244 W N -0.176 121.106 121.300 -0.029 0.000 2.381 244 W HA -0.044 4.620 4.660 0.005 0.000 0.301 244 W C 2.320 178.789 176.519 -0.085 0.000 1.205 244 W CA 0.971 58.295 57.345 -0.036 0.000 1.285 244 W CB -0.380 29.052 29.460 -0.047 0.000 1.133 244 W HN 0.138 nan 8.180 nan 0.000 0.521 245 I N -0.010 120.563 120.570 0.006 0.000 2.226 245 I HA -0.313 3.860 4.170 0.005 0.000 0.245 245 I C 2.565 178.567 176.117 -0.192 0.000 1.100 245 I CA 1.376 62.502 61.300 -0.290 0.000 1.374 245 I CB -0.965 36.595 38.000 -0.734 0.000 1.057 245 I HN -0.038 nan 8.210 nan 0.000 0.413 246 A N 0.822 123.591 122.820 -0.084 0.000 1.883 246 A HA -0.199 4.124 4.320 0.005 0.000 0.217 246 A C 2.547 180.319 177.584 0.314 0.000 1.186 246 A CA 2.010 54.107 52.037 0.099 0.000 0.624 246 A CB -0.873 18.223 19.000 0.161 0.000 0.822 246 A HN 0.439 nan 8.150 nan 0.000 0.444 247 A N -0.665 122.281 122.820 0.211 0.000 1.877 247 A HA 0.001 4.324 4.320 0.005 0.000 0.216 247 A C 2.236 179.945 177.584 0.208 0.000 1.186 247 A CA 1.831 53.883 52.037 0.024 0.000 0.620 247 A CB -0.960 17.807 19.000 -0.388 0.000 0.822 247 A HN 0.416 nan 8.150 nan 0.000 0.443 248 V N -0.042 120.023 119.914 0.251 0.000 2.358 248 V HA -0.161 3.962 4.120 0.005 0.000 0.246 248 V C 2.806 179.197 176.094 0.495 0.000 1.047 248 V CA 1.874 64.406 62.300 0.388 0.000 1.035 248 V CB -1.453 30.638 31.823 0.448 0.000 0.658 248 V HN 0.614 nan 8.190 nan 0.000 0.452 249 G N -0.715 108.311 108.800 0.377 0.000 2.418 249 G HA2 -0.352 3.611 3.960 0.005 0.000 0.217 249 G HA3 -0.352 3.611 3.960 0.005 0.000 0.217 249 G C 1.529 176.736 174.900 0.512 0.000 1.158 249 G CA 1.111 46.467 45.100 0.426 0.000 0.771 249 G HN 0.512 nan 8.290 nan 0.000 0.545 250 Q N 0.172 120.257 119.800 0.475 0.000 2.079 250 Q HA -0.023 4.320 4.340 0.005 0.000 0.200 250 Q C 2.427 178.753 176.000 0.544 0.000 0.974 250 Q CA 0.932 57.059 55.803 0.541 0.000 0.840 250 Q CB -0.313 28.821 28.738 0.660 0.000 0.898 250 Q HN 0.375 nan 8.270 nan 0.000 0.430 251 I N 0.028 120.848 120.570 0.416 0.000 2.163 251 I HA -0.241 3.932 4.170 0.005 0.000 0.243 251 I C 1.926 178.206 176.117 0.270 0.000 1.085 251 I CA 1.349 62.784 61.300 0.226 0.000 1.347 251 I CB -1.128 36.897 38.000 0.042 0.000 1.044 251 I HN 0.223 nan 8.210 nan 0.000 0.408 252 F N 0.317 120.445 119.950 0.298 0.000 2.069 252 F HA -0.296 4.234 4.527 0.005 0.000 0.298 252 F C 2.549 178.626 175.800 0.463 0.000 1.113 252 F CA 1.945 60.143 58.000 0.330 0.000 1.214 252 F CB -0.849 38.333 39.000 0.303 0.000 0.978 252 F HN -0.063 nan 8.300 nan 0.000 0.474 253 F N 0.109 120.420 119.950 0.602 0.000 2.102 253 F HA -0.244 4.287 4.527 0.005 0.000 0.298 253 F C 2.722 178.697 175.800 0.293 0.000 1.105 253 F CA 2.105 60.433 58.000 0.547 0.000 1.239 253 F CB -0.830 38.439 39.000 0.449 0.000 0.991 253 F HN -0.116 nan 8.300 nan 0.000 0.474 254 T N -0.042 114.814 114.554 0.504 0.000 2.867 254 T HA -0.075 4.278 4.350 0.005 0.000 0.268 254 T C 1.777 176.549 174.700 0.119 0.000 1.057 254 T CA 1.234 63.519 62.100 0.308 0.000 1.136 254 T CB -0.324 68.731 68.868 0.312 0.000 0.874 254 T HN 0.239 nan 8.240 nan 0.000 0.466 255 L N 0.736 122.034 121.223 0.124 0.000 2.591 255 L HA 0.238 4.581 4.340 0.005 0.000 0.228 255 L C 0.950 177.824 176.870 0.006 0.000 1.133 255 L CA 0.035 54.907 54.840 0.053 0.000 0.880 255 L CB -0.044 42.045 42.059 0.049 0.000 1.033 255 L HN 0.158 nan 8.230 nan 0.000 0.450 256 S N 0.298 115.969 115.700 -0.048 0.000 3.635 256 S HA -0.157 4.316 4.470 0.005 0.000 0.328 256 S C 0.204 174.969 174.600 0.274 0.000 1.135 256 S CA 0.392 58.496 58.200 -0.160 0.000 0.942 256 S CB -1.953 61.055 63.200 -0.321 0.000 0.930 256 S HN 0.286 nan 8.310 nan 0.000 0.512 257 L N 0.373 121.838 121.223 0.403 0.000 2.334 257 L HA 0.621 4.964 4.340 0.005 0.000 0.277 257 L C 1.489 178.693 176.870 0.557 0.000 1.075 257 L CA 0.354 55.399 54.840 0.342 0.000 0.804 257 L CB 0.982 43.041 42.059 -0.000 0.000 1.174 257 L HN 0.434 nan 8.230 nan 0.000 0.438 258 G N 1.786 110.853 108.800 0.445 0.000 2.159 258 G HA2 -0.311 3.653 3.960 0.005 0.000 0.256 258 G HA3 -0.311 3.653 3.960 0.005 0.000 0.256 258 G C 0.290 175.313 174.900 0.206 0.000 0.977 258 G CA 0.168 45.523 45.100 0.424 0.000 0.652 258 G HN 0.565 nan 8.290 nan 0.000 0.531 259 F N 0.508 120.591 119.950 0.221 0.000 2.678 259 F HA 0.424 4.954 4.527 0.005 0.000 0.305 259 F C 2.099 177.915 175.800 0.028 0.000 1.090 259 F CA 0.632 58.665 58.000 0.055 0.000 1.272 259 F CB 0.783 39.742 39.000 -0.068 0.000 1.060 259 F HN 0.601 nan 8.300 nan 0.000 0.576 260 G N 0.683 109.663 108.800 0.299 0.000 2.189 260 G HA2 -0.391 3.572 3.960 0.005 0.000 0.267 260 G HA3 -0.391 3.572 3.960 0.005 0.000 0.267 260 G C 1.288 176.249 174.900 0.102 0.000 0.975 260 G CA 0.596 45.822 45.100 0.210 0.000 0.644 260 G HN 0.528 nan 8.290 nan 0.000 0.537 261 A N -0.098 122.760 122.820 0.062 0.000 1.935 261 A HA 0.455 4.778 4.320 0.005 0.000 0.214 261 A C 2.297 179.773 177.584 -0.179 0.000 1.178 261 A CA 1.585 53.562 52.037 -0.100 0.000 0.640 261 A CB -0.178 18.682 19.000 -0.234 0.000 0.825 261 A HN 0.423 nan 8.150 nan 0.000 0.447 262 I N 0.409 120.904 120.570 -0.126 0.000 2.252 262 I HA -0.199 3.974 4.170 0.005 0.000 0.245 262 I C 2.371 178.402 176.117 -0.144 0.000 1.102 262 I CA 1.183 62.370 61.300 -0.188 0.000 1.385 262 I CB -1.080 36.854 38.000 -0.110 0.000 1.064 262 I HN 0.301 nan 8.210 nan 0.000 0.414 263 I N 0.575 121.124 120.570 -0.035 0.000 2.163 263 I HA -0.321 3.852 4.170 0.005 0.000 0.243 263 I C 2.483 178.600 176.117 -0.000 0.000 1.085 263 I CA 1.679 62.972 61.300 -0.011 0.000 1.347 263 I CB -0.638 37.388 38.000 0.043 0.000 1.044 263 I HN 0.199 nan 8.210 nan 0.000 0.408 264 T N -0.305 114.279 114.554 0.050 0.000 2.777 264 T HA -0.172 4.182 4.350 0.005 0.000 0.266 264 T C 1.829 176.676 174.700 0.245 0.000 1.040 264 T CA 1.234 63.391 62.100 0.095 0.000 1.141 264 T CB -0.303 68.663 68.868 0.163 0.000 0.868 264 T HN 0.169 nan 8.240 nan 0.000 0.444 265 Y N 1.551 121.914 120.300 0.105 0.000 2.181 265 Y HA 0.046 4.599 4.550 0.005 0.000 0.288 265 Y C 2.685 178.754 175.900 0.281 0.000 1.146 265 Y CA 0.112 58.410 58.100 0.329 0.000 1.164 265 Y CB -1.107 37.450 38.460 0.162 0.000 0.982 265 Y HN 0.207 nan 8.280 nan 0.000 0.515 266 A N -0.660 122.200 122.820 0.067 0.000 2.121 266 A HA -0.119 4.204 4.320 0.005 0.000 0.218 266 A C 2.346 179.959 177.584 0.047 0.000 1.154 266 A CA 1.435 53.436 52.037 -0.060 0.000 0.679 266 A CB -0.938 17.925 19.000 -0.228 0.000 0.795 266 A HN 0.451 nan 8.150 nan 0.000 0.458 267 S N -1.531 114.112 115.700 -0.094 0.000 2.547 267 S HA -0.092 4.381 4.470 0.005 0.000 0.235 267 S C 1.154 175.489 174.600 -0.441 0.000 0.980 267 S CA 0.892 58.918 58.200 -0.291 0.000 0.941 267 S CB -0.666 62.265 63.200 -0.448 0.000 0.763 267 S HN 0.592 nan 8.310 nan 0.000 0.532 268 Y N 0.905 121.229 120.300 0.041 0.000 2.458 268 Y HA 0.466 5.019 4.550 0.005 0.000 0.256 268 Y C 0.642 176.673 175.900 0.218 0.000 1.159 268 Y CA -0.860 57.162 58.100 -0.129 0.000 1.261 268 Y CB 0.011 38.050 38.460 -0.702 0.000 1.119 268 Y HN 0.074 nan 8.280 nan 0.000 0.524 269 V N 2.403 122.605 119.914 0.481 0.000 2.555 269 V HA 0.086 4.209 4.120 0.005 0.000 0.286 269 V C 0.673 176.961 176.094 0.324 0.000 1.044 269 V CA -0.898 61.687 62.300 0.475 0.000 1.026 269 V CB 0.503 32.554 31.823 0.380 0.000 0.981 269 V HN 0.254 nan 8.190 nan 0.000 0.480 270 R N 3.066 123.691 120.500 0.208 0.000 2.698 270 R HA 0.018 4.361 4.340 0.005 0.000 0.266 270 R C 1.575 177.916 176.300 0.067 0.000 1.026 270 R CA -0.124 55.980 56.100 0.007 0.000 1.102 270 R CB 0.423 30.637 30.300 -0.144 0.000 0.978 270 R HN 0.657 nan 8.270 nan 0.000 0.436 271 K N 1.779 122.203 120.400 0.039 0.000 2.160 271 K HA -0.200 4.124 4.320 0.005 0.000 0.206 271 K C 0.824 177.462 176.600 0.064 0.000 1.047 271 K CA 2.118 58.442 56.287 0.061 0.000 0.930 271 K CB 0.099 32.622 32.500 0.038 0.000 0.720 271 K HN 0.683 nan 8.250 nan 0.000 0.450 272 D N -0.577 119.847 120.400 0.039 0.000 2.367 272 D HA -0.103 4.540 4.640 0.005 0.000 0.207 272 D C 0.441 176.765 176.300 0.041 0.000 1.034 272 D CA -0.047 53.974 54.000 0.034 0.000 0.861 272 D CB 0.034 40.842 40.800 0.013 0.000 0.943 272 D HN 0.264 nan 8.370 nan 0.000 0.515 273 Q N 1.559 121.397 119.800 0.064 0.000 2.299 273 Q HA 0.105 4.448 4.340 0.005 0.000 0.246 273 Q C -0.716 175.336 176.000 0.086 0.000 0.935 273 Q CA -0.578 55.270 55.803 0.076 0.000 0.887 273 Q CB 1.286 30.089 28.738 0.109 0.000 1.223 273 Q HN 0.002 nan 8.270 nan 0.000 0.439 274 D N 2.249 122.681 120.400 0.054 0.000 2.443 274 D HA -0.021 4.622 4.640 0.005 0.000 0.239 274 D C 0.683 177.008 176.300 0.041 0.000 1.136 274 D CA 0.315 54.324 54.000 0.015 0.000 0.879 274 D CB 0.485 41.272 40.800 -0.022 0.000 1.195 274 D HN 0.591 nan 8.370 nan 0.000 0.443 275 I N 0.361 120.929 120.570 -0.004 0.000 4.327 275 I HA 0.110 4.283 4.170 0.005 0.000 0.331 275 I C 0.849 176.811 176.117 -0.258 0.000 1.348 275 I CA -0.498 60.761 61.300 -0.069 0.000 1.152 275 I CB 0.274 38.411 38.000 0.227 0.000 1.151 275 I HN 0.275 nan 8.210 nan 0.000 0.410 276 V N 1.649 121.434 119.914 -0.215 0.000 2.283 276 V HA -0.203 3.920 4.120 0.005 0.000 0.243 276 V C 2.451 178.534 176.094 -0.020 0.000 1.039 276 V CA 2.084 64.230 62.300 -0.257 0.000 1.016 276 V CB -0.402 31.152 31.823 -0.449 0.000 0.650 276 V HN 0.475 nan 8.190 nan 0.000 0.449 277 L N -0.294 120.872 121.223 -0.095 0.000 2.109 277 L HA -0.029 4.314 4.340 0.005 0.000 0.207 277 L C 2.463 179.252 176.870 -0.134 0.000 1.086 277 L CA 1.857 56.663 54.840 -0.058 0.000 0.760 277 L CB -0.561 41.466 42.059 -0.054 0.000 0.910 277 L HN 0.228 nan 8.230 nan 0.000 0.437 278 S N -0.129 115.428 115.700 -0.239 0.000 2.356 278 S HA -0.113 4.360 4.470 0.005 0.000 0.223 278 S C 1.881 176.080 174.600 -0.668 0.000 1.032 278 S CA 1.213 59.205 58.200 -0.347 0.000 1.005 278 S CB -0.970 62.058 63.200 -0.286 0.000 0.867 278 S HN 0.692 nan 8.310 nan 0.000 0.449 279 G N 1.600 109.671 108.800 -1.215 0.000 2.421 279 G HA2 -0.185 3.778 3.960 0.005 0.000 0.216 279 G HA3 -0.185 3.778 3.960 0.005 0.000 0.216 279 G C 1.408 175.980 174.900 -0.546 0.000 1.171 279 G CA 1.005 45.291 45.100 -1.358 0.000 0.775 279 G HN 0.430 nan 8.290 nan 0.000 0.543 280 L N 0.936 121.968 121.223 -0.318 0.000 2.079 280 L HA -0.018 4.325 4.340 0.005 0.000 0.210 280 L C 2.834 179.626 176.870 -0.130 0.000 1.081 280 L CA 2.567 57.266 54.840 -0.235 0.000 0.752 280 L CB -0.828 41.233 42.059 0.004 0.000 0.896 280 L HN 0.181 nan 8.230 nan 0.000 0.433 281 T N -0.300 114.188 114.554 -0.111 0.000 2.777 281 T HA -0.083 4.270 4.350 0.005 0.000 0.266 281 T C 1.922 176.602 174.700 -0.034 0.000 1.040 281 T CA 1.208 63.273 62.100 -0.058 0.000 1.141 281 T CB -0.479 68.357 68.868 -0.054 0.000 0.868 281 T HN 0.525 nan 8.240 nan 0.000 0.444 282 A N 1.530 124.338 122.820 -0.020 0.000 1.902 282 A HA 0.113 4.436 4.320 0.005 0.000 0.217 282 A C 2.628 180.233 177.584 0.034 0.000 1.181 282 A CA 1.898 53.967 52.037 0.052 0.000 0.623 282 A CB -1.106 18.014 19.000 0.199 0.000 0.818 282 A HN 0.503 nan 8.150 nan 0.000 0.443 283 A N -1.053 121.772 122.820 0.008 0.000 1.902 283 A HA -0.079 4.244 4.320 0.005 0.000 0.217 283 A C 2.311 179.933 177.584 0.065 0.000 1.181 283 A CA 2.288 54.357 52.037 0.054 0.000 0.623 283 A CB -1.249 17.757 19.000 0.009 0.000 0.818 283 A HN 0.433 nan 8.150 nan 0.000 0.443 284 T N 0.434 115.014 114.554 0.044 0.000 2.821 284 T HA -0.042 4.312 4.350 0.005 0.000 0.267 284 T C 1.808 176.482 174.700 -0.044 0.000 1.046 284 T CA 1.283 63.383 62.100 -0.000 0.000 1.139 284 T CB -0.351 68.529 68.868 0.019 0.000 0.871 284 T HN 0.341 nan 8.240 nan 0.000 0.454 285 L N 1.190 122.396 121.223 -0.028 0.000 2.046 285 L HA -0.149 4.194 4.340 0.005 0.000 0.208 285 L C 2.625 179.477 176.870 -0.032 0.000 1.077 285 L CA 1.384 56.205 54.840 -0.031 0.000 0.747 285 L CB -0.567 41.477 42.059 -0.024 0.000 0.896 285 L HN 0.301 nan 8.230 nan 0.000 0.432 286 N N -0.251 118.431 118.700 -0.030 0.000 2.120 286 N HA -0.218 4.525 4.740 0.005 0.000 0.188 286 N C 1.802 177.249 175.510 -0.105 0.000 1.024 286 N CA 1.236 54.260 53.050 -0.044 0.000 0.852 286 N CB 0.107 38.583 38.487 -0.018 0.000 1.003 286 N HN 0.153 nan 8.380 nan 0.000 0.424 287 E N 0.631 120.735 120.200 -0.160 0.000 2.110 287 E HA -0.143 4.210 4.350 0.005 0.000 0.193 287 E C 1.797 178.291 176.600 -0.177 0.000 0.988 287 E CA 0.933 57.180 56.400 -0.255 0.000 0.804 287 E CB -0.160 29.225 29.700 -0.526 0.000 0.745 287 E HN 0.535 nan 8.360 nan 0.000 0.458 288 K N 0.728 121.063 120.400 -0.109 0.000 2.026 288 K HA -0.052 4.271 4.320 0.005 0.000 0.208 288 K C 2.207 178.787 176.600 -0.033 0.000 1.048 288 K CA 1.274 57.534 56.287 -0.044 0.000 0.929 288 K CB -0.195 32.302 32.500 -0.005 0.000 0.713 288 K HN 0.049 nan 8.250 nan 0.000 0.439 289 A N 1.459 124.258 122.820 -0.035 0.000 1.933 289 A HA -0.241 4.082 4.320 0.005 0.000 0.218 289 A C 2.093 179.528 177.584 -0.249 0.000 1.175 289 A CA 1.799 53.811 52.037 -0.040 0.000 0.628 289 A CB -0.404 18.603 19.000 0.012 0.000 0.814 289 A HN 0.412 nan 8.150 nan 0.000 0.444 290 E N -0.148 119.867 120.200 -0.309 0.000 2.008 290 E HA -0.132 4.221 4.350 0.005 0.000 0.191 290 E C 1.972 178.199 176.600 -0.622 0.000 0.986 290 E CA 2.039 58.125 56.400 -0.524 0.000 0.807 290 E CB -0.185 29.207 29.700 -0.514 0.000 0.766 290 E HN 0.483 nan 8.360 nan 0.000 0.450 291 V N -1.109 118.533 119.914 -0.453 0.000 2.649 291 V HA -0.006 4.117 4.120 0.005 0.000 0.248 291 V C 2.107 178.272 176.094 0.117 0.000 1.054 291 V CA 1.134 63.267 62.300 -0.278 0.000 1.073 291 V CB -0.408 31.399 31.823 -0.026 0.000 0.699 291 V HN 0.269 nan 8.190 nan 0.000 0.463 292 I N -0.447 120.172 120.570 0.083 0.000 2.429 292 I HA 0.025 4.198 4.170 0.005 0.000 0.247 292 I C 2.422 178.618 176.117 0.132 0.000 1.099 292 I CA 1.134 62.525 61.300 0.152 0.000 1.422 292 I CB -0.082 37.979 38.000 0.101 0.000 1.112 292 I HN 0.237 nan 8.210 nan 0.000 0.430 293 L N 0.192 121.464 121.223 0.082 0.000 2.121 293 L HA 0.132 4.475 4.340 0.005 0.000 0.200 293 L C 2.707 179.690 176.870 0.188 0.000 1.077 293 L CA 1.267 56.197 54.840 0.150 0.000 0.766 293 L CB -1.226 40.978 42.059 0.242 0.000 0.931 293 L HN 0.217 nan 8.230 nan 0.000 0.452 294 G N 0.021 108.795 108.800 -0.043 0.000 2.440 294 G HA2 -0.203 3.761 3.960 0.005 0.000 0.218 294 G HA3 -0.203 3.761 3.960 0.005 0.000 0.218 294 G C 1.550 176.570 174.900 0.200 0.000 1.154 294 G CA 0.811 45.902 45.100 -0.016 0.000 0.767 294 G HN 0.489 nan 8.290 nan 0.000 0.552 295 G N 0.050 108.965 108.800 0.191 0.000 2.443 295 G HA2 -0.003 3.960 3.960 0.005 0.000 0.219 295 G HA3 -0.003 3.960 3.960 0.005 0.000 0.219 295 G C 1.831 176.897 174.900 0.277 0.000 1.131 295 G CA 1.205 46.504 45.100 0.332 0.000 0.775 295 G HN 0.425 nan 8.290 nan 0.000 0.547 296 S N -0.178 115.687 115.700 0.276 0.000 2.575 296 S HA 0.268 4.742 4.470 0.005 0.000 0.215 296 S C 1.815 176.562 174.600 0.245 0.000 0.966 296 S CA -0.213 58.187 58.200 0.334 0.000 0.911 296 S CB 0.157 63.561 63.200 0.339 0.000 0.780 296 S HN 0.366 nan 8.310 nan 0.000 0.514 297 I N 0.604 121.271 120.570 0.163 0.000 2.731 297 I HA -0.019 4.154 4.170 0.005 0.000 0.235 297 I C 2.214 178.299 176.117 -0.052 0.000 1.064 297 I CA 0.587 61.918 61.300 0.052 0.000 1.439 297 I CB -0.531 37.503 38.000 0.056 0.000 1.255 297 I HN 0.119 nan 8.210 nan 0.000 0.446 298 S N 1.210 116.852 115.700 -0.096 0.000 2.355 298 S HA -0.058 4.415 4.470 0.005 0.000 0.222 298 S C 2.029 176.572 174.600 -0.095 0.000 1.031 298 S CA 1.010 59.090 58.200 -0.199 0.000 0.993 298 S CB -0.183 62.932 63.200 -0.142 0.000 0.859 298 S HN 0.217 nan 8.310 nan 0.000 0.453 299 I N 2.180 122.744 120.570 -0.010 0.000 2.179 299 I HA -0.049 4.124 4.170 0.005 0.000 0.242 299 I C -0.878 175.262 176.117 0.039 0.000 1.088 299 I CA 1.008 62.315 61.300 0.012 0.000 1.357 299 I CB -2.554 35.480 38.000 0.057 0.000 1.051 299 I HN 0.158 nan 8.210 nan 0.000 0.409 300 P HA -0.065 nan 4.420 nan 0.000 0.217 300 P C 1.700 179.045 177.300 0.076 0.000 1.150 300 P CA 1.766 64.926 63.100 0.100 0.000 0.832 300 P CB 0.015 31.824 31.700 0.182 0.000 0.787 301 A N 0.295 123.138 122.820 0.039 0.000 1.865 301 A HA -0.159 4.164 4.320 0.005 0.000 0.217 301 A C 2.347 179.940 177.584 0.015 0.000 1.191 301 A CA 2.340 54.376 52.037 -0.001 0.000 0.623 301 A CB -1.671 17.233 19.000 -0.160 0.000 0.826 301 A HN 0.190 nan 8.150 nan 0.000 0.444 302 A N -0.777 122.041 122.820 -0.003 0.000 1.902 302 A HA 0.002 4.325 4.320 0.005 0.000 0.217 302 A C 2.250 179.940 177.584 0.176 0.000 1.181 302 A CA 1.843 53.954 52.037 0.125 0.000 0.623 302 A CB -0.923 18.101 19.000 0.041 0.000 0.818 302 A HN 0.402 nan 8.150 nan 0.000 0.443 303 V N -0.204 119.747 119.914 0.062 0.000 2.358 303 V HA -0.214 3.909 4.120 0.005 0.000 0.246 303 V C 3.059 179.172 176.094 0.032 0.000 1.047 303 V CA 1.786 64.097 62.300 0.018 0.000 1.035 303 V CB -1.184 30.616 31.823 -0.038 0.000 0.658 303 V HN 0.616 nan 8.190 nan 0.000 0.452 304 A N -0.681 122.173 122.820 0.056 0.000 1.908 304 A HA -0.230 4.093 4.320 0.005 0.000 0.218 304 A C 2.025 179.584 177.584 -0.042 0.000 1.181 304 A CA 2.083 54.137 52.037 0.030 0.000 0.627 304 A CB -0.640 18.422 19.000 0.102 0.000 0.818 304 A HN 0.488 nan 8.150 nan 0.000 0.445 305 F N -2.751 117.065 119.950 -0.224 0.000 2.387 305 F HA 0.199 4.730 4.527 0.006 0.000 0.294 305 F C 1.382 176.814 175.800 -0.613 0.000 1.093 305 F CA 0.830 58.539 58.000 -0.483 0.000 1.420 305 F CB 0.106 38.671 39.000 -0.725 0.000 1.086 305 F HN 0.215 nan 8.300 nan 0.000 0.531 306 F N -0.815 119.176 119.950 0.068 0.000 2.784 306 F HA 0.482 5.011 4.527 0.004 0.000 0.323 306 F C 1.119 176.890 175.800 -0.049 0.000 1.085 306 F CA 0.201 58.202 58.000 0.002 0.000 1.196 306 F CB -0.088 38.906 39.000 -0.010 0.000 1.053 306 F HN -0.080 nan 8.300 nan 0.000 0.578 307 G N 0.553 109.400 108.800 0.079 0.000 2.758 307 G HA2 -0.167 3.796 3.960 0.005 0.000 0.686 307 G HA3 -0.167 3.796 3.960 0.005 0.000 0.686 307 G C 0.517 175.380 174.900 -0.060 0.000 1.389 307 G CA -0.559 44.539 45.100 -0.004 0.000 0.845 307 G HN -0.039 nan 8.290 nan 0.000 0.572 308 V N 1.240 121.068 119.914 -0.144 0.000 2.261 308 V HA -0.091 4.032 4.120 0.005 0.000 0.246 308 V C 3.450 179.372 176.094 -0.287 0.000 1.047 308 V CA 3.501 65.610 62.300 -0.319 0.000 1.015 308 V CB -1.409 30.185 31.823 -0.381 0.000 0.642 308 V HN 1.869 nan 8.190 nan 0.000 0.446 309 A N 0.308 123.026 122.820 -0.171 0.000 1.940 309 A HA -0.245 4.078 4.320 0.005 0.000 0.219 309 A C 2.062 179.570 177.584 -0.126 0.000 1.176 309 A CA 2.184 54.140 52.037 -0.134 0.000 0.631 309 A CB -0.643 18.310 19.000 -0.077 0.000 0.814 309 A HN 0.608 nan 8.150 nan 0.000 0.446 310 N N 0.061 118.703 118.700 -0.096 0.000 2.250 310 N HA -0.000 4.743 4.740 0.005 0.000 0.181 310 N C 1.914 177.323 175.510 -0.169 0.000 1.017 310 N CA 1.317 54.301 53.050 -0.109 0.000 0.866 310 N CB -0.541 37.923 38.487 -0.039 0.000 0.985 310 N HN 0.448 nan 8.380 nan 0.000 0.429 311 A N 0.925 123.662 122.820 -0.138 0.000 1.883 311 A HA -0.099 4.224 4.320 0.005 0.000 0.217 311 A C 2.492 179.956 177.584 -0.200 0.000 1.186 311 A CA 1.395 53.337 52.037 -0.158 0.000 0.624 311 A CB -0.886 18.019 19.000 -0.159 0.000 0.822 311 A HN 0.085 nan 8.150 nan 0.000 0.444 312 V N -0.144 119.625 119.914 -0.242 0.000 2.287 312 V HA -0.278 3.845 4.120 0.005 0.000 0.248 312 V C 3.065 179.073 176.094 -0.142 0.000 1.053 312 V CA 2.066 64.249 62.300 -0.195 0.000 1.027 312 V CB -1.223 30.485 31.823 -0.192 0.000 0.646 312 V HN 0.635 nan 8.190 nan 0.000 0.447 313 A N -0.330 122.407 122.820 -0.138 0.000 1.933 313 A HA -0.175 4.148 4.320 0.005 0.000 0.218 313 A C 2.177 179.686 177.584 -0.125 0.000 1.175 313 A CA 1.854 53.822 52.037 -0.116 0.000 0.628 313 A CB -0.547 18.387 19.000 -0.109 0.000 0.814 313 A HN 0.517 nan 8.150 nan 0.000 0.444 314 I N -0.274 120.198 120.570 -0.164 0.000 2.208 314 I HA -0.315 3.858 4.170 0.005 0.000 0.245 314 I C 2.977 179.026 176.117 -0.114 0.000 1.097 314 I CA 1.137 62.340 61.300 -0.162 0.000 1.363 314 I CB -0.327 37.534 38.000 -0.231 0.000 1.051 314 I HN 0.374 nan 8.210 nan 0.000 0.413 315 A N 0.663 123.410 122.820 -0.121 0.000 1.902 315 A HA -0.215 4.108 4.320 0.005 0.000 0.217 315 A C 2.251 179.772 177.584 -0.106 0.000 1.181 315 A CA 1.559 53.528 52.037 -0.113 0.000 0.623 315 A CB -0.438 18.483 19.000 -0.132 0.000 0.818 315 A HN 0.335 nan 8.150 nan 0.000 0.443 316 K N -0.225 120.115 120.400 -0.100 0.000 2.362 316 K HA 0.071 4.395 4.320 0.005 0.000 0.200 316 K C 2.030 178.590 176.600 -0.066 0.000 1.046 316 K CA 0.661 56.897 56.287 -0.086 0.000 0.952 316 K CB -0.205 32.250 32.500 -0.075 0.000 0.753 316 K HN 0.465 nan 8.250 nan 0.000 0.466 317 A N 1.385 124.170 122.820 -0.058 0.000 1.969 317 A HA 0.072 4.395 4.320 0.005 0.000 0.218 317 A C 1.057 178.638 177.584 -0.005 0.000 1.169 317 A CA 1.414 53.433 52.037 -0.030 0.000 0.635 317 A CB -0.011 18.972 19.000 -0.029 0.000 0.810 317 A HN 0.365 nan 8.150 nan 0.000 0.445 318 G N -4.363 104.427 108.800 -0.017 0.000 2.523 318 G HA2 0.515 4.478 3.960 0.005 0.000 0.291 318 G HA3 0.515 4.478 3.960 0.005 0.000 0.291 318 G C 0.395 175.238 174.900 -0.096 0.000 1.450 318 G CA -0.040 45.051 45.100 -0.015 0.000 0.790 318 G HN 0.703 nan 8.290 nan 0.000 0.496 319 A N -0.678 121.990 122.820 -0.252 0.000 2.015 319 A HA 0.313 4.636 4.320 0.005 0.000 0.219 319 A C 1.435 178.786 177.584 -0.388 0.000 1.163 319 A CA 1.616 53.366 52.037 -0.478 0.000 0.646 319 A CB -0.347 18.127 19.000 -0.876 0.000 0.806 319 A HN 0.606 nan 8.150 nan 0.000 0.448 320 F N -0.753 119.302 119.950 0.175 0.000 2.706 320 F HA 0.211 4.741 4.527 0.005 0.000 0.308 320 F C 1.746 177.744 175.800 0.329 0.000 1.095 320 F CA -0.559 57.637 58.000 0.327 0.000 1.244 320 F CB -0.539 38.633 39.000 0.287 0.000 1.063 320 F HN 0.205 nan 8.300 nan 0.000 0.582 321 N N 0.567 119.455 118.700 0.314 0.000 2.084 321 N HA -0.192 4.551 4.740 0.005 0.000 0.190 321 N C 1.872 177.487 175.510 0.175 0.000 1.030 321 N CA 1.099 54.287 53.050 0.231 0.000 0.849 321 N CB -0.129 38.422 38.487 0.107 0.000 1.012 321 N HN 0.138 nan 8.380 nan 0.000 0.423 322 L N 0.921 122.209 121.223 0.109 0.000 2.056 322 L HA 0.013 4.356 4.340 0.005 0.000 0.207 322 L C 2.109 179.003 176.870 0.041 0.000 1.078 322 L CA 1.696 56.550 54.840 0.023 0.000 0.749 322 L CB -0.938 41.111 42.059 -0.017 0.000 0.901 322 L HN 0.084 nan 8.230 nan 0.000 0.433 323 G N -2.117 106.794 108.800 0.186 0.000 2.453 323 G HA2 -0.159 3.804 3.960 0.005 0.000 0.215 323 G HA3 -0.159 3.804 3.960 0.005 0.000 0.215 323 G C 1.148 176.151 174.900 0.171 0.000 1.147 323 G CA 0.487 45.715 45.100 0.215 0.000 0.802 323 G HN 0.423 nan 8.290 nan 0.000 0.535 324 F N -0.634 119.537 119.950 0.368 0.000 2.720 324 F HA 0.469 4.999 4.527 0.005 0.000 0.301 324 F C 1.882 177.959 175.800 0.462 0.000 1.103 324 F CA -0.049 58.197 58.000 0.410 0.000 1.291 324 F CB 0.522 39.606 39.000 0.140 0.000 1.086 324 F HN 0.044 nan 8.300 nan 0.000 0.592 325 I N -2.019 118.817 120.570 0.444 0.000 3.650 325 I HA -0.051 4.122 4.170 0.005 0.000 0.261 325 I C 1.975 178.142 176.117 0.083 0.000 1.154 325 I CA 0.548 62.056 61.300 0.348 0.000 1.418 325 I CB -0.334 37.841 38.000 0.292 0.000 1.539 325 I HN -0.218 nan 8.210 nan 0.000 0.449 326 T N 1.858 116.411 114.554 -0.001 0.000 2.701 326 T HA -0.113 4.240 4.350 0.005 0.000 0.263 326 T C 1.841 176.349 174.700 -0.319 0.000 1.040 326 T CA 1.323 63.349 62.100 -0.124 0.000 1.147 326 T CB -0.247 68.557 68.868 -0.107 0.000 0.865 326 T HN 0.062 nan 8.240 nan 0.000 0.426 327 L N 2.546 123.507 121.223 -0.437 0.000 2.012 327 L HA -0.016 4.327 4.340 0.005 0.000 0.210 327 L C -0.773 175.478 176.870 -1.033 0.000 1.073 327 L CA 1.959 56.265 54.840 -0.891 0.000 0.748 327 L CB -1.222 40.109 42.059 -1.213 0.000 0.891 327 L HN 0.145 nan 8.230 nan 0.000 0.431 328 P HA -0.130 nan 4.420 nan 0.000 0.218 328 P C 1.414 178.284 177.300 -0.717 0.000 1.149 328 P CA 1.874 64.741 63.100 -0.388 0.000 0.817 328 P CB -0.163 31.620 31.700 0.139 0.000 0.785 329 A N 0.136 122.328 122.820 -1.047 0.000 1.877 329 A HA -0.159 4.164 4.320 0.005 0.000 0.216 329 A C 2.356 179.600 177.584 -0.567 0.000 1.186 329 A CA 1.414 52.774 52.037 -1.128 0.000 0.620 329 A CB -1.583 17.058 19.000 -0.598 0.000 0.822 329 A HN 0.103 nan 8.150 nan 0.000 0.443 330 I N -1.449 118.769 120.570 -0.588 0.000 2.179 330 I HA -0.233 3.941 4.170 0.005 0.000 0.242 330 I C 2.190 178.013 176.117 -0.490 0.000 1.088 330 I CA 1.198 62.025 61.300 -0.788 0.000 1.357 330 I CB -0.382 37.025 38.000 -0.988 0.000 1.051 330 I HN 0.259 nan 8.210 nan 0.000 0.409 331 F N 1.172 120.866 119.950 -0.427 0.000 2.202 331 F HA -0.223 4.307 4.527 0.005 0.000 0.301 331 F C 2.989 178.726 175.800 -0.104 0.000 1.082 331 F CA 1.353 59.211 58.000 -0.237 0.000 1.313 331 F CB -1.588 37.315 39.000 -0.163 0.000 1.024 331 F HN 0.196 nan 8.300 nan 0.000 0.495 332 S N -0.623 115.129 115.700 0.086 0.000 2.500 332 S HA -0.162 4.311 4.470 0.005 0.000 0.239 332 S C 1.464 176.137 174.600 0.121 0.000 0.989 332 S CA 0.763 59.056 58.200 0.154 0.000 0.951 332 S CB -0.367 62.975 63.200 0.236 0.000 0.759 332 S HN 0.368 nan 8.310 nan 0.000 0.523 333 Q N 1.751 121.594 119.800 0.071 0.000 2.320 333 Q HA 0.184 4.527 4.340 0.005 0.000 0.201 333 Q C 0.527 176.612 176.000 0.141 0.000 0.910 333 Q CA 0.490 56.367 55.803 0.122 0.000 0.946 333 Q CB 0.346 29.200 28.738 0.193 0.000 1.062 333 Q HN 0.860 nan 8.270 nan 0.000 0.503 334 T N -3.434 111.190 114.554 0.117 0.000 2.893 334 T HA 0.727 5.080 4.350 0.005 0.000 0.291 334 T C -0.201 174.547 174.700 0.079 0.000 1.028 334 T CA -0.800 61.359 62.100 0.099 0.000 0.995 334 T CB 2.129 71.046 68.868 0.081 0.000 1.051 334 T HN 0.085 nan 8.240 nan 0.000 0.470 335 A N 0.969 123.825 122.820 0.061 0.000 2.546 335 A HA 0.523 4.846 4.320 0.005 0.000 0.243 335 A C 1.648 179.268 177.584 0.061 0.000 1.063 335 A CA 0.423 52.492 52.037 0.054 0.000 0.757 335 A CB -1.399 17.623 19.000 0.037 0.000 0.991 335 A HN 2.491 nan 8.150 nan 0.000 0.503 336 G N 1.501 110.349 108.800 0.080 0.000 2.143 336 G HA2 -0.124 3.839 3.960 0.005 0.000 0.249 336 G HA3 -0.124 3.839 3.960 0.005 0.000 0.249 336 G C 1.157 176.158 174.900 0.168 0.000 0.981 336 G CA 0.837 46.007 45.100 0.117 0.000 0.665 336 G HN 1.848 nan 8.290 nan 0.000 0.528 337 G N -0.639 108.249 108.800 0.147 0.000 2.448 337 G HA2 0.106 4.069 3.960 0.005 0.000 0.218 337 G HA3 0.106 4.069 3.960 0.005 0.000 0.218 337 G C 1.553 176.629 174.900 0.292 0.000 1.135 337 G CA 2.173 47.369 45.100 0.160 0.000 0.784 337 G HN 0.574 nan 8.290 nan 0.000 0.543 338 T N 0.538 115.286 114.554 0.323 0.000 2.812 338 T HA -0.061 4.292 4.350 0.005 0.000 0.264 338 T C 1.882 176.900 174.700 0.530 0.000 1.042 338 T CA 0.739 63.105 62.100 0.444 0.000 1.140 338 T CB -0.231 68.798 68.868 0.269 0.000 0.870 338 T HN 0.234 nan 8.240 nan 0.000 0.445 339 F N 1.292 121.405 119.950 0.272 0.000 2.186 339 F HA 0.072 4.602 4.527 0.005 0.000 0.299 339 F C 1.881 177.861 175.800 0.299 0.000 1.090 339 F CA 0.463 58.637 58.000 0.291 0.000 1.307 339 F CB -0.347 38.751 39.000 0.164 0.000 1.019 339 F HN 0.003 nan 8.300 nan 0.000 0.489 340 L N 0.358 121.712 121.223 0.218 0.000 2.083 340 L HA -0.019 4.324 4.340 0.005 0.000 0.209 340 L C 2.502 179.384 176.870 0.021 0.000 1.083 340 L CA 2.043 56.846 54.840 -0.063 0.000 0.752 340 L CB -1.414 40.355 42.059 -0.484 0.000 0.899 340 L HN 0.203 nan 8.230 nan 0.000 0.433 341 G N -1.246 107.724 108.800 0.284 0.000 2.418 341 G HA2 -0.355 3.609 3.960 0.005 0.000 0.217 341 G HA3 -0.355 3.609 3.960 0.005 0.000 0.217 341 G C 1.554 176.566 174.900 0.187 0.000 1.158 341 G CA 0.778 46.037 45.100 0.265 0.000 0.771 341 G HN 0.469 nan 8.290 nan 0.000 0.545 342 F N 1.470 121.530 119.950 0.185 0.000 2.091 342 F HA -0.066 4.464 4.527 0.005 0.000 0.299 342 F C 2.330 178.124 175.800 -0.009 0.000 1.103 342 F CA 1.381 59.456 58.000 0.125 0.000 1.228 342 F CB -0.362 38.608 39.000 -0.050 0.000 0.984 342 F HN 0.066 nan 8.300 nan 0.000 0.477 343 L N -0.629 120.298 121.223 -0.493 0.000 2.083 343 L HA -0.236 4.107 4.340 0.005 0.000 0.209 343 L C 2.601 179.312 176.870 -0.265 0.000 1.083 343 L CA 1.493 55.990 54.840 -0.571 0.000 0.752 343 L CB -1.046 40.830 42.059 -0.304 0.000 0.899 343 L HN 0.549 nan 8.230 nan 0.000 0.433 344 W N 0.971 122.060 121.300 -0.352 0.000 2.354 344 W HA -0.277 4.387 4.660 0.006 0.000 0.315 344 W C 2.129 178.338 176.519 -0.518 0.000 1.206 344 W CA 1.382 58.467 57.345 -0.435 0.000 1.290 344 W CB -0.326 28.843 29.460 -0.484 0.000 1.152 344 W HN 0.060 nan 8.180 nan 0.000 0.489 345 F N -0.309 119.454 119.950 -0.311 0.000 2.234 345 F HA -0.107 4.424 4.527 0.006 0.000 0.299 345 F C 2.250 177.889 175.800 -0.268 0.000 1.087 345 F CA 1.278 59.044 58.000 -0.389 0.000 1.340 345 F CB -1.574 37.349 39.000 -0.129 0.000 1.031 345 F HN -0.166 nan 8.300 nan 0.000 0.500 346 F N 0.242 120.003 119.950 -0.315 0.000 2.146 346 F HA -0.169 4.361 4.527 0.005 0.000 0.298 346 F C 2.268 177.890 175.800 -0.296 0.000 1.096 346 F CA 1.006 58.800 58.000 -0.342 0.000 1.275 346 F CB -0.453 38.082 39.000 -0.775 0.000 1.008 346 F HN -0.042 nan 8.300 nan 0.000 0.480 347 L N 0.487 121.566 121.223 -0.240 0.000 1.989 347 L HA -0.228 4.115 4.340 0.005 0.000 0.211 347 L C 2.073 178.687 176.870 -0.427 0.000 1.071 347 L CA 1.933 56.569 54.840 -0.341 0.000 0.749 347 L CB -1.072 40.722 42.059 -0.442 0.000 0.890 347 L HN 0.232 nan 8.230 nan 0.000 0.431 348 L N -1.619 119.266 121.223 -0.563 0.000 2.046 348 L HA -0.229 4.115 4.340 0.005 0.000 0.208 348 L C 2.512 179.285 176.870 -0.161 0.000 1.077 348 L CA 1.566 56.123 54.840 -0.472 0.000 0.747 348 L CB -0.765 40.914 42.059 -0.633 0.000 0.896 348 L HN 0.349 nan 8.230 nan 0.000 0.432 349 F N 0.439 120.252 119.950 -0.229 0.000 2.069 349 F HA -0.285 4.245 4.527 0.005 0.000 0.298 349 F C 2.278 178.109 175.800 0.051 0.000 1.113 349 F CA 1.529 59.468 58.000 -0.101 0.000 1.214 349 F CB -0.441 38.475 39.000 -0.140 0.000 0.978 349 F HN -0.105 nan 8.300 nan 0.000 0.474 350 F N 0.635 120.298 119.950 -0.480 0.000 2.171 350 F HA -0.088 4.442 4.527 0.005 0.000 0.300 350 F C 2.597 178.261 175.800 -0.226 0.000 1.090 350 F CA 0.891 58.656 58.000 -0.392 0.000 1.293 350 F CB -1.606 37.234 39.000 -0.267 0.000 1.013 350 F HN 0.093 nan 8.300 nan 0.000 0.486 351 A N -0.049 122.776 122.820 0.008 0.000 1.877 351 A HA -0.071 4.252 4.320 0.005 0.000 0.216 351 A C 2.622 180.242 177.584 0.060 0.000 1.186 351 A CA 1.841 53.915 52.037 0.062 0.000 0.620 351 A CB -1.522 17.546 19.000 0.113 0.000 0.822 351 A HN 0.390 nan 8.150 nan 0.000 0.443 352 G N -0.427 108.374 108.800 0.003 0.000 2.402 352 G HA2 -0.087 3.876 3.960 0.005 0.000 0.216 352 G HA3 -0.087 3.876 3.960 0.005 0.000 0.216 352 G C 1.476 176.402 174.900 0.043 0.000 1.162 352 G CA 1.130 46.288 45.100 0.096 0.000 0.777 352 G HN 0.461 nan 8.290 nan 0.000 0.539 353 L N 1.849 122.938 121.223 -0.222 0.000 2.046 353 L HA -0.041 4.302 4.340 0.005 0.000 0.208 353 L C 3.078 179.875 176.870 -0.122 0.000 1.077 353 L CA 2.774 57.442 54.840 -0.287 0.000 0.747 353 L CB -1.081 40.607 42.059 -0.619 0.000 0.896 353 L HN 0.356 nan 8.230 nan 0.000 0.432 354 T N -4.693 109.834 114.554 -0.045 0.000 2.962 354 T HA -0.075 4.279 4.350 0.005 0.000 0.270 354 T C 1.858 176.553 174.700 -0.008 0.000 1.088 354 T CA 1.380 63.501 62.100 0.036 0.000 1.127 354 T CB -0.466 68.420 68.868 0.031 0.000 0.883 354 T HN 0.316 nan 8.240 nan 0.000 0.493 355 S N 1.574 117.248 115.700 -0.043 0.000 2.441 355 S HA 0.016 4.489 4.470 0.005 0.000 0.224 355 S C 2.473 176.902 174.600 -0.285 0.000 1.043 355 S CA 0.778 58.869 58.200 -0.180 0.000 0.948 355 S CB -0.235 62.858 63.200 -0.179 0.000 0.810 355 S HN 0.828 nan 8.310 nan 0.000 0.504 356 S N 3.190 118.797 115.700 -0.155 0.000 2.382 356 S HA -0.087 4.386 4.470 0.005 0.000 0.228 356 S C 2.003 176.530 174.600 -0.122 0.000 1.027 356 S CA 1.155 59.262 58.200 -0.154 0.000 0.991 356 S CB -1.034 62.193 63.200 0.045 0.000 0.823 356 S HN 0.700 nan 8.310 nan 0.000 0.469 357 I N 0.338 120.858 120.570 -0.083 0.000 2.361 357 I HA 0.005 4.179 4.170 0.005 0.000 0.251 357 I C 2.562 178.690 176.117 0.018 0.000 1.133 357 I CA 1.331 62.609 61.300 -0.036 0.000 1.413 357 I CB -0.913 37.069 38.000 -0.030 0.000 1.073 357 I HN 0.332 nan 8.210 nan 0.000 0.424 358 A N 2.641 125.433 122.820 -0.048 0.000 1.969 358 A HA -0.011 4.313 4.320 0.005 0.000 0.218 358 A C 2.297 179.756 177.584 -0.209 0.000 1.169 358 A CA 1.660 53.583 52.037 -0.189 0.000 0.635 358 A CB -0.780 17.901 19.000 -0.531 0.000 0.810 358 A HN 0.737 nan 8.150 nan 0.000 0.445 359 I N -4.840 115.590 120.570 -0.234 0.000 3.728 359 I HA 0.166 4.339 4.170 0.005 0.000 0.307 359 I C 1.851 177.915 176.117 -0.089 0.000 1.276 359 I CA 0.498 61.678 61.300 -0.200 0.000 1.285 359 I CB -0.092 37.717 38.000 -0.318 0.000 1.038 359 I HN 0.105 nan 8.210 nan 0.000 0.445 360 M N 0.465 120.037 119.600 -0.048 0.000 2.501 360 M HA 0.013 4.496 4.480 0.005 0.000 0.261 360 M C 2.114 178.442 176.300 0.047 0.000 1.129 360 M CA 0.797 56.102 55.300 0.008 0.000 1.126 360 M CB -0.004 32.603 32.600 0.011 0.000 1.359 360 M HN 0.188 nan 8.290 nan 0.000 0.471 361 Q N 1.320 121.161 119.800 0.070 0.000 2.226 361 Q HA -0.082 4.261 4.340 0.005 0.000 0.204 361 Q C -1.041 175.041 176.000 0.137 0.000 0.975 361 Q CA 1.823 57.701 55.803 0.126 0.000 0.866 361 Q CB -1.134 27.753 28.738 0.247 0.000 0.915 361 Q HN 0.229 nan 8.270 nan 0.000 0.440 362 P HA -0.128 nan 4.420 nan 0.000 0.216 362 P C 1.108 178.481 177.300 0.121 0.000 1.153 362 P CA 1.296 64.457 63.100 0.102 0.000 0.848 362 P CB -0.140 31.591 31.700 0.053 0.000 0.787 363 M N -1.078 118.584 119.600 0.103 0.000 2.159 363 M HA -0.089 4.394 4.480 0.005 0.000 0.263 363 M C 1.845 178.259 176.300 0.190 0.000 1.063 363 M CA 1.748 57.133 55.300 0.141 0.000 1.110 363 M CB -1.163 31.510 32.600 0.122 0.000 1.374 363 M HN -0.217 nan 8.290 nan 0.000 0.411 364 I N -0.127 120.527 120.570 0.141 0.000 2.179 364 I HA -0.277 3.896 4.170 0.005 0.000 0.242 364 I C 2.415 178.596 176.117 0.106 0.000 1.088 364 I CA 1.335 62.704 61.300 0.116 0.000 1.357 364 I CB -0.786 37.257 38.000 0.072 0.000 1.051 364 I HN 0.394 nan 8.210 nan 0.000 0.409 365 A N 0.463 123.361 122.820 0.129 0.000 1.933 365 A HA -0.262 4.061 4.320 0.005 0.000 0.218 365 A C 2.249 179.879 177.584 0.078 0.000 1.175 365 A CA 1.546 53.653 52.037 0.116 0.000 0.628 365 A CB -0.999 18.091 19.000 0.151 0.000 0.814 365 A HN 0.487 nan 8.150 nan 0.000 0.444 366 F N 0.627 120.578 119.950 0.001 0.000 2.102 366 F HA -0.132 4.398 4.527 0.005 0.000 0.298 366 F C 1.855 177.634 175.800 -0.034 0.000 1.105 366 F CA 1.779 59.764 58.000 -0.026 0.000 1.239 366 F CB -0.290 38.679 39.000 -0.051 0.000 0.991 366 F HN 0.138 nan 8.300 nan 0.000 0.474 367 L N 0.011 121.204 121.223 -0.050 0.000 2.093 367 L HA -0.179 4.164 4.340 0.005 0.000 0.208 367 L C 2.379 179.135 176.870 -0.190 0.000 1.085 367 L CA 1.643 56.395 54.840 -0.146 0.000 0.755 367 L CB -0.750 41.350 42.059 0.069 0.000 0.904 367 L HN 0.208 nan 8.230 nan 0.000 0.435 368 E N -0.014 120.119 120.200 -0.111 0.000 2.028 368 E HA -0.190 4.163 4.350 0.005 0.000 0.190 368 E C 1.780 178.280 176.600 -0.167 0.000 0.984 368 E CA 1.275 57.611 56.400 -0.106 0.000 0.800 368 E CB -0.011 29.654 29.700 -0.059 0.000 0.758 368 E HN 0.426 nan 8.360 nan 0.000 0.448 369 D N 0.314 120.600 120.400 -0.191 0.000 2.117 369 D HA -0.118 4.525 4.640 0.005 0.000 0.198 369 D C 1.751 177.891 176.300 -0.268 0.000 0.982 369 D CA 1.048 54.915 54.000 -0.222 0.000 0.828 369 D CB 0.035 40.727 40.800 -0.180 0.000 0.967 369 D HN 0.142 nan 8.370 nan 0.000 0.464 370 E N -0.463 119.489 120.200 -0.413 0.000 2.330 370 E HA 0.161 4.514 4.350 0.005 0.000 0.200 370 E C 1.996 178.332 176.600 -0.441 0.000 0.922 370 E CA 0.058 56.184 56.400 -0.458 0.000 0.935 370 E CB 0.441 29.708 29.700 -0.722 0.000 0.917 370 E HN 0.265 nan 8.360 nan 0.000 0.491 371 L N 0.702 121.636 121.223 -0.482 0.000 2.693 371 L HA 0.166 4.510 4.340 0.005 0.000 0.235 371 L C -0.079 176.672 176.870 -0.198 0.000 1.127 371 L CA -0.076 54.575 54.840 -0.315 0.000 0.914 371 L CB 0.269 42.146 42.059 -0.304 0.000 1.193 371 L HN -0.144 nan 8.230 nan 0.000 0.502 372 K N 0.002 120.289 120.400 -0.189 0.000 3.160 372 K HA -0.178 4.145 4.320 0.005 0.000 0.280 372 K C -0.247 176.311 176.600 -0.071 0.000 1.154 372 K CA 0.488 56.702 56.287 -0.122 0.000 0.822 372 K CB -2.276 30.162 32.500 -0.104 0.000 1.239 372 K HN 0.140 nan 8.250 nan 0.000 0.489 373 L N 1.087 122.277 121.223 -0.056 0.000 2.467 373 L HA 0.074 4.418 4.340 0.005 0.000 0.270 373 L C 1.437 178.313 176.870 0.011 0.000 1.205 373 L CA 0.532 55.390 54.840 0.031 0.000 0.828 373 L CB 0.550 42.660 42.059 0.084 0.000 1.101 373 L HN 0.325 nan 8.230 nan 0.000 0.479 374 S N 2.322 118.035 115.700 0.021 0.000 2.576 374 S HA 0.109 4.583 4.470 0.005 0.000 0.272 374 S C 1.241 175.807 174.600 -0.057 0.000 1.352 374 S CA -0.150 58.005 58.200 -0.075 0.000 1.021 374 S CB 0.444 63.514 63.200 -0.217 0.000 0.887 374 S HN 0.668 nan 8.310 nan 0.000 0.542 375 R N 1.360 121.808 120.500 -0.086 0.000 2.091 375 R HA -0.138 4.205 4.340 0.005 0.000 0.238 375 R C 2.319 178.584 176.300 -0.058 0.000 1.136 375 R CA 1.772 57.829 56.100 -0.072 0.000 0.959 375 R CB -0.392 29.845 30.300 -0.105 0.000 0.856 375 R HN 0.853 nan 8.270 nan 0.000 0.437 376 K N -0.350 119.982 120.400 -0.113 0.000 2.032 376 K HA -0.223 4.100 4.320 0.005 0.000 0.209 376 K C 1.793 178.405 176.600 0.020 0.000 1.048 376 K CA 2.141 58.368 56.287 -0.100 0.000 0.927 376 K CB -0.244 32.145 32.500 -0.186 0.000 0.712 376 K HN 0.505 nan 8.250 nan 0.000 0.441 377 H N -0.740 118.360 119.070 0.049 0.000 2.389 377 H HA -0.044 4.515 4.556 0.005 0.000 0.299 377 H C 2.097 177.563 175.328 0.231 0.000 1.081 377 H CA 0.693 56.830 56.048 0.147 0.000 1.345 377 H CB 0.062 29.950 29.762 0.209 0.000 1.393 377 H HN 0.397 nan 8.280 nan 0.000 0.520 378 A N 0.693 123.672 122.820 0.264 0.000 1.902 378 A HA -0.148 4.175 4.320 0.005 0.000 0.217 378 A C 2.579 180.275 177.584 0.187 0.000 1.181 378 A CA 1.593 53.760 52.037 0.216 0.000 0.623 378 A CB -0.802 18.263 19.000 0.110 0.000 0.818 378 A HN 0.206 nan 8.150 nan 0.000 0.443 379 V N 0.001 119.977 119.914 0.103 0.000 2.307 379 V HA -0.235 3.888 4.120 0.005 0.000 0.245 379 V C 2.561 178.690 176.094 0.058 0.000 1.045 379 V CA 1.925 64.256 62.300 0.052 0.000 1.024 379 V CB -0.732 31.079 31.823 -0.019 0.000 0.651 379 V HN 0.557 nan 8.190 nan 0.000 0.449 380 L N -1.987 119.261 121.223 0.041 0.000 2.056 380 L HA -0.152 4.191 4.340 0.005 0.000 0.207 380 L C 2.396 179.237 176.870 -0.048 0.000 1.078 380 L CA 1.782 56.590 54.840 -0.052 0.000 0.749 380 L CB -0.467 41.509 42.059 -0.138 0.000 0.901 380 L HN 0.377 nan 8.230 nan 0.000 0.433 381 W N 0.083 121.434 121.300 0.083 0.000 2.388 381 W HA -0.155 4.508 4.660 0.005 0.000 0.294 381 W C 2.686 179.277 176.519 0.120 0.000 1.212 381 W CA 1.291 58.694 57.345 0.096 0.000 1.271 381 W CB -0.519 29.003 29.460 0.104 0.000 1.126 381 W HN 0.011 nan 8.180 nan 0.000 0.535 382 T N 0.186 114.939 114.554 0.332 0.000 2.684 382 T HA -0.250 4.103 4.350 0.005 0.000 0.267 382 T C 1.964 176.785 174.700 0.203 0.000 1.036 382 T CA 1.903 64.150 62.100 0.245 0.000 1.148 382 T CB -0.814 68.160 68.868 0.176 0.000 0.863 382 T HN 0.197 nan 8.240 nan 0.000 0.436 383 A N 1.393 124.296 122.820 0.139 0.000 1.933 383 A HA 0.124 4.447 4.320 0.005 0.000 0.218 383 A C 2.643 180.342 177.584 0.191 0.000 1.175 383 A CA 1.906 54.010 52.037 0.112 0.000 0.628 383 A CB -1.105 17.904 19.000 0.015 0.000 0.814 383 A HN 0.517 nan 8.150 nan 0.000 0.444 384 A N -0.008 122.918 122.820 0.176 0.000 1.877 384 A HA -0.095 4.228 4.320 0.005 0.000 0.216 384 A C 2.114 179.921 177.584 0.371 0.000 1.186 384 A CA 1.597 53.777 52.037 0.239 0.000 0.620 384 A CB -0.607 18.456 19.000 0.105 0.000 0.822 384 A HN 0.508 nan 8.150 nan 0.000 0.443 385 I N -0.603 120.176 120.570 0.348 0.000 2.315 385 I HA -0.179 3.994 4.170 0.005 0.000 0.248 385 I C 2.297 178.642 176.117 0.381 0.000 1.117 385 I CA 0.883 62.396 61.300 0.354 0.000 1.404 385 I CB -0.287 37.893 38.000 0.300 0.000 1.071 385 I HN 0.141 nan 8.210 nan 0.000 0.419 386 V N 0.696 120.806 119.914 0.328 0.000 2.307 386 V HA -0.292 3.831 4.120 0.005 0.000 0.245 386 V C 2.292 178.624 176.094 0.397 0.000 1.045 386 V CA 1.906 64.393 62.300 0.312 0.000 1.024 386 V CB -0.677 31.293 31.823 0.244 0.000 0.651 386 V HN 0.373 nan 8.190 nan 0.000 0.449 387 F N 0.585 120.710 119.950 0.291 0.000 2.102 387 F HA -0.236 4.294 4.527 0.005 0.000 0.298 387 F C 2.122 178.221 175.800 0.500 0.000 1.105 387 F CA 1.942 60.159 58.000 0.361 0.000 1.239 387 F CB -0.577 38.554 39.000 0.218 0.000 0.991 387 F HN 0.203 nan 8.300 nan 0.000 0.474 388 F N 0.782 120.884 119.950 0.253 0.000 2.075 388 F HA -0.164 4.366 4.527 0.005 0.000 0.297 388 F C 2.482 178.361 175.800 0.132 0.000 1.113 388 F CA 2.122 60.192 58.000 0.116 0.000 1.218 388 F CB -1.040 38.043 39.000 0.138 0.000 0.984 388 F HN -0.066 nan 8.300 nan 0.000 0.472 389 S N 0.582 116.354 115.700 0.121 0.000 2.399 389 S HA -0.140 4.333 4.470 0.005 0.000 0.231 389 S C 2.213 176.742 174.600 -0.118 0.000 1.022 389 S CA 0.926 59.120 58.200 -0.011 0.000 0.983 389 S CB -0.852 62.570 63.200 0.370 0.000 0.803 389 S HN 0.552 nan 8.310 nan 0.000 0.480 390 A N 0.961 123.750 122.820 -0.050 0.000 2.121 390 A HA -0.111 4.212 4.320 0.005 0.000 0.218 390 A C 1.565 178.877 177.584 -0.453 0.000 1.154 390 A CA 1.248 53.151 52.037 -0.224 0.000 0.679 390 A CB -0.742 18.128 19.000 -0.217 0.000 0.795 390 A HN 0.530 nan 8.150 nan 0.000 0.458 391 H N -1.220 117.604 119.070 -0.411 0.000 2.457 391 H HA -0.097 4.462 4.556 0.005 0.000 0.297 391 H C 1.792 177.025 175.328 -0.158 0.000 1.092 391 H CA 1.478 57.374 56.048 -0.253 0.000 1.309 391 H CB -0.108 29.462 29.762 -0.321 0.000 1.382 391 H HN 0.405 nan 8.280 nan 0.000 0.535 392 L N -0.126 120.987 121.223 -0.183 0.000 2.056 392 L HA -0.120 4.223 4.340 0.005 0.000 0.207 392 L C 2.101 178.919 176.870 -0.086 0.000 1.078 392 L CA 1.188 55.947 54.840 -0.136 0.000 0.749 392 L CB -0.477 41.465 42.059 -0.196 0.000 0.901 392 L HN 0.122 nan 8.230 nan 0.000 0.433 393 V N -0.802 119.029 119.914 -0.138 0.000 2.548 393 V HA -0.260 3.864 4.120 0.005 0.000 0.249 393 V C 2.462 178.418 176.094 -0.230 0.000 1.055 393 V CA 1.693 63.930 62.300 -0.105 0.000 1.065 393 V CB -0.457 31.344 31.823 -0.037 0.000 0.681 393 V HN 0.410 nan 8.190 nan 0.000 0.462 394 M N -1.581 117.700 119.600 -0.531 0.000 2.254 394 M HA -0.025 4.458 4.480 0.005 0.000 0.265 394 M C 1.648 177.557 176.300 -0.651 0.000 1.066 394 M CA 1.976 56.797 55.300 -0.799 0.000 1.123 394 M CB -0.118 31.784 32.600 -1.164 0.000 1.388 394 M HN 0.341 nan 8.290 nan 0.000 0.425 395 F N -1.213 118.627 119.950 -0.183 0.000 2.752 395 F HA 0.262 4.792 4.527 0.005 0.000 0.310 395 F C 0.288 176.032 175.800 -0.093 0.000 1.097 395 F CA -0.412 57.517 58.000 -0.118 0.000 1.238 395 F CB 0.583 39.518 39.000 -0.108 0.000 1.061 395 F HN -0.093 nan 8.300 nan 0.000 0.591 396 L N 1.367 122.621 121.223 0.051 0.000 2.276 396 L HA 0.418 4.761 4.340 0.005 0.000 0.286 396 L C -0.143 176.711 176.870 -0.027 0.000 1.024 396 L CA -0.624 54.221 54.840 0.007 0.000 0.826 396 L CB 0.208 42.269 42.059 0.002 0.000 1.211 396 L HN -0.108 nan 8.230 nan 0.000 0.422 397 N N 4.585 123.252 118.700 -0.055 0.000 2.412 397 N HA 0.024 4.767 4.740 0.005 0.000 0.258 397 N C 0.250 175.723 175.510 -0.061 0.000 1.236 397 N CA 0.611 53.619 53.050 -0.070 0.000 0.882 397 N CB 0.374 38.796 38.487 -0.108 0.000 1.066 397 N HN 0.477 nan 8.380 nan 0.000 0.465 398 K N 0.065 120.447 120.400 -0.029 0.000 3.547 398 K HA -0.212 4.111 4.320 0.005 0.000 0.309 398 K C 1.126 177.727 176.600 0.001 0.000 1.324 398 K CA 1.087 57.364 56.287 -0.017 0.000 0.988 398 K CB -2.144 30.329 32.500 -0.045 0.000 1.261 398 K HN 0.531 nan 8.250 nan 0.000 0.444 399 S N 0.686 116.393 115.700 0.012 0.000 2.368 399 S HA 0.012 4.486 4.470 0.005 0.000 0.224 399 S C 1.812 176.436 174.600 0.040 0.000 1.029 399 S CA 1.263 59.486 58.200 0.039 0.000 0.988 399 S CB -0.029 63.194 63.200 0.037 0.000 0.838 399 S HN 0.433 nan 8.310 nan 0.000 0.462 400 L N 1.258 122.499 121.223 0.031 0.000 2.043 400 L HA -0.201 4.143 4.340 0.005 0.000 0.212 400 L C 1.747 178.519 176.870 -0.164 0.000 1.075 400 L CA 2.422 57.241 54.840 -0.034 0.000 0.752 400 L CB -0.619 41.491 42.059 0.084 0.000 0.891 400 L HN 0.284 nan 8.230 nan 0.000 0.432 401 D N -0.648 119.717 120.400 -0.059 0.000 2.144 401 D HA -0.229 4.414 4.640 0.005 0.000 0.199 401 D C 2.051 178.335 176.300 -0.028 0.000 0.984 401 D CA 1.231 55.192 54.000 -0.066 0.000 0.834 401 D CB -0.069 40.709 40.800 -0.037 0.000 0.955 401 D HN 0.360 nan 8.370 nan 0.000 0.465 402 E N 0.081 120.302 120.200 0.034 0.000 2.072 402 E HA -0.072 4.281 4.350 0.005 0.000 0.191 402 E C 1.991 178.758 176.600 0.278 0.000 0.985 402 E CA 0.891 57.393 56.400 0.169 0.000 0.801 402 E CB -0.098 29.720 29.700 0.197 0.000 0.750 402 E HN 0.236 nan 8.360 nan 0.000 0.452 403 M N 0.025 119.717 119.600 0.153 0.000 2.117 403 M HA -0.128 4.355 4.480 0.005 0.000 0.262 403 M C 1.893 178.255 176.300 0.104 0.000 1.065 403 M CA 1.893 57.302 55.300 0.181 0.000 1.114 403 M CB -0.325 32.391 32.600 0.193 0.000 1.361 403 M HN 0.088 nan 8.290 nan 0.000 0.408 404 D N 0.174 120.437 120.400 -0.228 0.000 2.178 404 D HA -0.176 4.467 4.640 0.005 0.000 0.202 404 D C 1.679 178.031 176.300 0.087 0.000 0.974 404 D CA 0.983 54.898 54.000 -0.141 0.000 0.841 404 D CB 0.022 40.601 40.800 -0.368 0.000 0.953 404 D HN 0.264 nan 8.370 nan 0.000 0.478 405 F N -0.511 119.378 119.950 -0.101 0.000 2.060 405 F HA -0.021 4.508 4.527 0.005 0.000 0.295 405 F C 1.558 177.222 175.800 -0.227 0.000 1.120 405 F CA 1.450 59.314 58.000 -0.225 0.000 1.205 405 F CB -0.668 38.065 39.000 -0.445 0.000 0.986 405 F HN 0.026 nan 8.300 nan 0.000 0.470 406 W N 0.106 121.376 121.300 -0.050 0.000 2.409 406 W HA 0.020 4.683 4.660 0.006 0.000 0.299 406 W C 2.549 179.063 176.519 -0.008 0.000 1.203 406 W CA 1.570 58.849 57.345 -0.109 0.000 1.298 406 W CB -0.879 28.710 29.460 0.215 0.000 1.127 406 W HN 0.109 nan 8.180 nan 0.000 0.528 407 A N -0.274 122.692 122.820 0.245 0.000 1.887 407 A HA 0.194 4.517 4.320 0.005 0.000 0.212 407 A C 2.142 179.768 177.584 0.070 0.000 1.198 407 A CA 1.362 53.467 52.037 0.113 0.000 0.628 407 A CB -1.262 17.639 19.000 -0.166 0.000 0.847 407 A HN 0.235 nan 8.150 nan 0.000 0.449 408 G N -1.921 107.000 108.800 0.201 0.000 2.880 408 G HA2 0.264 4.227 3.960 0.005 0.000 0.209 408 G HA3 0.264 4.227 3.960 0.005 0.000 0.209 408 G C 1.080 176.131 174.900 0.253 0.000 1.157 408 G CA 1.439 46.756 45.100 0.362 0.000 0.779 408 G HN 0.431 nan 8.290 nan 0.000 0.539 409 T N 0.285 114.850 114.554 0.019 0.000 3.393 409 T HA 0.179 4.532 4.350 0.005 0.000 0.231 409 T C 2.138 176.654 174.700 -0.307 0.000 0.983 409 T CA -0.109 61.978 62.100 -0.021 0.000 1.272 409 T CB 0.015 68.891 68.868 0.014 0.000 1.214 409 T HN -0.075 nan 8.240 nan 0.000 0.368 410 I N 2.300 122.441 120.570 -0.715 0.000 2.179 410 I HA -0.051 4.122 4.170 0.005 0.000 0.242 410 I C 2.857 178.736 176.117 -0.396 0.000 1.088 410 I CA 1.761 62.563 61.300 -0.830 0.000 1.357 410 I CB -1.839 35.542 38.000 -1.032 0.000 1.051 410 I HN 0.416 nan 8.210 nan 0.000 0.409 411 G N 1.330 110.011 108.800 -0.199 0.000 2.476 411 G HA2 -0.226 3.738 3.960 0.005 0.000 0.218 411 G HA3 -0.226 3.738 3.960 0.005 0.000 0.218 411 G C 1.810 176.714 174.900 0.006 0.000 1.164 411 G CA 1.858 46.973 45.100 0.025 0.000 0.768 411 G HN 0.397 nan 8.290 nan 0.000 0.560 412 V N -1.029 118.773 119.914 -0.188 0.000 2.427 412 V HA -0.102 4.021 4.120 0.005 0.000 0.248 412 V C 2.698 178.569 176.094 -0.372 0.000 1.051 412 V CA 1.722 63.864 62.300 -0.263 0.000 1.048 412 V CB -0.769 30.747 31.823 -0.511 0.000 0.666 412 V HN 0.163 nan 8.190 nan 0.000 0.456 413 V N 0.260 119.821 119.914 -0.590 0.000 2.307 413 V HA -0.172 3.951 4.120 0.005 0.000 0.245 413 V C 2.375 178.336 176.094 -0.222 0.000 1.045 413 V CA 2.425 64.284 62.300 -0.735 0.000 1.024 413 V CB -1.040 30.506 31.823 -0.462 0.000 0.651 413 V HN 0.600 nan 8.190 nan 0.000 0.449 414 F N 0.583 120.384 119.950 -0.248 0.000 2.087 414 F HA -0.297 4.233 4.527 0.005 0.000 0.299 414 F C 2.082 177.852 175.800 -0.050 0.000 1.100 414 F CA 2.124 60.029 58.000 -0.159 0.000 1.226 414 F CB -0.510 38.354 39.000 -0.226 0.000 0.983 414 F HN 0.170 nan 8.300 nan 0.000 0.479 415 F N 1.101 120.901 119.950 -0.250 0.000 2.206 415 F HA 0.099 4.629 4.527 0.005 0.000 0.298 415 F C 2.459 178.194 175.800 -0.108 0.000 1.090 415 F CA 1.379 59.236 58.000 -0.239 0.000 1.323 415 F CB -1.159 37.859 39.000 0.031 0.000 1.028 415 F HN 0.025 nan 8.300 nan 0.000 0.492 416 G N 0.465 109.309 108.800 0.074 0.000 2.446 416 G HA2 -0.303 3.660 3.960 0.005 0.000 0.217 416 G HA3 -0.303 3.660 3.960 0.005 0.000 0.217 416 G C 1.652 176.520 174.900 -0.054 0.000 1.168 416 G CA 1.080 46.279 45.100 0.165 0.000 0.771 416 G HN 0.399 nan 8.290 nan 0.000 0.551 417 L N 0.921 122.077 121.223 -0.113 0.000 2.046 417 L HA -0.003 4.340 4.340 0.005 0.000 0.208 417 L C 2.954 179.595 176.870 -0.382 0.000 1.077 417 L CA 2.606 57.317 54.840 -0.215 0.000 0.747 417 L CB -1.016 40.943 42.059 -0.167 0.000 0.896 417 L HN 0.204 nan 8.230 nan 0.000 0.432 418 T N 0.194 114.435 114.554 -0.522 0.000 2.684 418 T HA -0.240 4.113 4.350 0.005 0.000 0.267 418 T C 1.604 175.958 174.700 -0.577 0.000 1.036 418 T CA 1.808 63.559 62.100 -0.583 0.000 1.148 418 T CB -0.347 68.093 68.868 -0.714 0.000 0.863 418 T HN 0.711 nan 8.240 nan 0.000 0.436 419 E N 1.140 121.000 120.200 -0.566 0.000 2.150 419 E HA -0.067 4.287 4.350 0.005 0.000 0.193 419 E C 2.346 178.773 176.600 -0.287 0.000 0.985 419 E CA 0.777 56.890 56.400 -0.478 0.000 0.814 419 E CB -0.567 28.936 29.700 -0.329 0.000 0.752 419 E HN 0.437 nan 8.360 nan 0.000 0.466 420 L N 0.818 121.883 121.223 -0.262 0.000 2.056 420 L HA -0.107 4.237 4.340 0.005 0.000 0.207 420 L C 2.488 179.154 176.870 -0.340 0.000 1.078 420 L CA 1.143 55.857 54.840 -0.209 0.000 0.749 420 L CB -0.097 41.801 42.059 -0.268 0.000 0.901 420 L HN 0.157 nan 8.230 nan 0.000 0.433 421 I N -0.285 119.962 120.570 -0.538 0.000 2.179 421 I HA -0.347 3.827 4.170 0.005 0.000 0.242 421 I C 2.400 178.316 176.117 -0.336 0.000 1.088 421 I CA 1.540 62.442 61.300 -0.663 0.000 1.357 421 I CB -0.288 37.356 38.000 -0.595 0.000 1.051 421 I HN 0.237 nan 8.210 nan 0.000 0.409 422 I N -0.006 120.353 120.570 -0.351 0.000 2.151 422 I HA -0.350 3.824 4.170 0.005 0.000 0.243 422 I C 2.530 178.630 176.117 -0.029 0.000 1.080 422 I CA 1.751 62.882 61.300 -0.281 0.000 1.339 422 I CB -0.421 37.266 38.000 -0.521 0.000 1.039 422 I HN 0.191 nan 8.210 nan 0.000 0.409 423 F N 0.498 120.353 119.950 -0.158 0.000 2.149 423 F HA -0.112 4.418 4.527 0.005 0.000 0.294 423 F C 2.063 177.920 175.800 0.095 0.000 1.095 423 F CA 1.375 59.356 58.000 -0.032 0.000 1.276 423 F CB -0.392 38.601 39.000 -0.012 0.000 1.023 423 F HN -0.122 nan 8.300 nan 0.000 0.480 424 F N -2.086 117.825 119.950 -0.065 0.000 2.698 424 F HA 0.001 4.532 4.527 0.006 0.000 0.295 424 F C 1.236 177.112 175.800 0.127 0.000 1.124 424 F CA 0.469 58.406 58.000 -0.105 0.000 1.426 424 F CB -0.062 38.860 39.000 -0.130 0.000 1.120 424 F HN -0.042 nan 8.300 nan 0.000 0.583 425 W N -0.673 120.591 121.300 -0.061 0.000 2.922 425 W HA 0.278 4.941 4.660 0.005 0.000 0.260 425 W C 2.069 178.487 176.519 -0.169 0.000 1.088 425 W CA 0.006 57.276 57.345 -0.125 0.000 1.694 425 W CB -1.006 28.381 29.460 -0.121 0.000 1.064 425 W HN -0.204 nan 8.180 nan 0.000 0.611 426 I N -0.600 120.002 120.570 0.054 0.000 2.235 426 I HA -0.232 3.941 4.170 0.005 0.000 0.241 426 I C 2.369 178.477 176.117 -0.015 0.000 1.085 426 I CA 1.345 62.581 61.300 -0.108 0.000 1.378 426 I CB -0.875 36.872 38.000 -0.420 0.000 1.076 426 I HN -0.202 nan 8.210 nan 0.000 0.415 427 F N 1.939 121.817 119.950 -0.119 0.000 2.102 427 F HA 0.080 4.610 4.527 0.005 0.000 0.298 427 F C 1.048 176.745 175.800 -0.171 0.000 1.105 427 F CA 1.324 59.261 58.000 -0.107 0.000 1.239 427 F CB -0.289 38.646 39.000 -0.109 0.000 0.991 427 F HN 0.103 nan 8.300 nan 0.000 0.474 428 G N -1.226 107.413 108.800 -0.268 0.000 2.621 428 G HA2 0.364 4.327 3.960 0.005 0.000 0.355 428 G HA3 0.364 4.327 3.960 0.005 0.000 0.355 428 G C 0.265 174.877 174.900 -0.480 0.000 1.509 428 G CA -0.389 44.486 45.100 -0.376 0.000 1.000 428 G HN 0.586 nan 8.290 nan 0.000 0.646 429 A N 1.633 124.212 122.820 -0.402 0.000 1.892 429 A HA -0.059 4.264 4.320 0.005 0.000 0.218 429 A C 2.025 179.340 177.584 -0.448 0.000 1.188 429 A CA 2.583 54.242 52.037 -0.631 0.000 0.631 429 A CB -0.309 18.527 19.000 -0.273 0.000 0.822 429 A HN 0.690 nan 8.150 nan 0.000 0.447 430 D N -0.423 119.861 120.400 -0.193 0.000 2.144 430 D HA -0.102 4.541 4.640 0.005 0.000 0.200 430 D C 1.913 178.133 176.300 -0.134 0.000 0.978 430 D CA 1.343 55.298 54.000 -0.075 0.000 0.833 430 D CB -0.271 40.481 40.800 -0.079 0.000 0.961 430 D HN 0.524 nan 8.370 nan 0.000 0.470 431 K N 1.030 121.250 120.400 -0.301 0.000 2.057 431 K HA -0.068 4.255 4.320 0.005 0.000 0.207 431 K C 2.227 178.677 176.600 -0.250 0.000 1.049 431 K CA 1.117 57.201 56.287 -0.339 0.000 0.931 431 K CB -0.059 31.987 32.500 -0.756 0.000 0.714 431 K HN 0.002 nan 8.250 nan 0.000 0.440 432 A N 1.615 124.127 122.820 -0.514 0.000 1.858 432 A HA -0.205 4.119 4.320 0.005 0.000 0.216 432 A C 1.963 179.370 177.584 -0.295 0.000 1.190 432 A CA 1.219 52.745 52.037 -0.851 0.000 0.617 432 A CB -1.083 16.844 19.000 -1.787 0.000 0.827 432 A HN 0.610 nan 8.150 nan 0.000 0.443 433 W N 0.854 121.908 121.300 -0.410 0.000 2.318 433 W HA -0.264 4.399 4.660 0.005 0.000 0.313 433 W C 2.011 178.515 176.519 -0.026 0.000 1.221 433 W CA 2.480 59.798 57.345 -0.044 0.000 1.266 433 W CB -0.179 29.339 29.460 0.097 0.000 1.150 433 W HN 0.515 nan 8.180 nan 0.000 0.496 434 E N 0.995 121.214 120.200 0.033 0.000 2.085 434 E HA -0.307 4.046 4.350 0.005 0.000 0.194 434 E C 1.839 178.411 176.600 -0.047 0.000 0.994 434 E CA 2.283 58.658 56.400 -0.042 0.000 0.801 434 E CB -0.603 29.100 29.700 0.005 0.000 0.743 434 E HN 0.239 nan 8.360 nan 0.000 0.453 435 E N -0.067 120.155 120.200 0.036 0.000 2.106 435 E HA -0.086 4.267 4.350 0.005 0.000 0.192 435 E C 2.009 178.673 176.600 0.106 0.000 0.984 435 E CA 1.314 57.797 56.400 0.137 0.000 0.806 435 E CB -0.322 29.546 29.700 0.281 0.000 0.750 435 E HN 0.456 nan 8.360 nan 0.000 0.458 436 I N 0.717 121.323 120.570 0.059 0.000 2.179 436 I HA -0.257 3.916 4.170 0.005 0.000 0.242 436 I C 1.964 177.948 176.117 -0.221 0.000 1.088 436 I CA 1.076 62.360 61.300 -0.027 0.000 1.357 436 I CB -0.283 37.672 38.000 -0.077 0.000 1.051 436 I HN 0.161 nan 8.210 nan 0.000 0.409 437 N N 0.658 119.139 118.700 -0.364 0.000 2.354 437 N HA -0.068 4.675 4.740 0.005 0.000 0.179 437 N C 0.877 176.260 175.510 -0.211 0.000 1.021 437 N CA 0.149 52.958 53.050 -0.402 0.000 0.887 437 N CB -0.082 38.059 38.487 -0.576 0.000 0.974 437 N HN 0.250 nan 8.380 nan 0.000 0.437 438 R N 0.820 121.246 120.500 -0.122 0.000 2.485 438 R HA -0.034 4.309 4.340 0.005 0.000 0.304 438 R C 0.895 177.172 176.300 -0.038 0.000 0.934 438 R CA 1.077 57.147 56.100 -0.050 0.000 1.102 438 R CB -0.218 30.090 30.300 0.013 0.000 0.906 438 R HN 0.353 nan 8.270 nan 0.000 0.407 439 G N 2.551 111.329 108.800 -0.038 0.000 2.184 439 G HA2 -0.274 3.689 3.960 0.005 0.000 0.264 439 G HA3 -0.274 3.689 3.960 0.005 0.000 0.264 439 G C 0.417 175.288 174.900 -0.048 0.000 0.975 439 G CA 0.022 45.106 45.100 -0.026 0.000 0.642 439 G HN 0.963 nan 8.290 nan 0.000 0.536 440 G N -0.466 108.278 108.800 -0.092 0.000 2.380 440 G HA2 0.442 4.405 3.960 0.005 0.000 0.242 440 G HA3 0.442 4.405 3.960 0.005 0.000 0.242 440 G C 1.202 176.049 174.900 -0.090 0.000 1.298 440 G CA 0.056 45.083 45.100 -0.122 0.000 0.878 440 G HN 0.430 nan 8.290 nan 0.000 0.542 441 I N 1.574 122.098 120.570 -0.076 0.000 2.315 441 I HA 0.003 4.176 4.170 0.005 0.000 0.248 441 I C 1.285 177.366 176.117 -0.061 0.000 1.117 441 I CA 1.011 62.278 61.300 -0.054 0.000 1.404 441 I CB -0.256 37.719 38.000 -0.041 0.000 1.071 441 I HN 0.532 nan 8.210 nan 0.000 0.419 442 I N -2.856 117.662 120.570 -0.086 0.000 3.067 442 I HA 0.465 4.638 4.170 0.005 0.000 0.312 442 I C -0.617 175.404 176.117 -0.160 0.000 1.073 442 I CA -1.019 60.227 61.300 -0.091 0.000 1.016 442 I CB 1.662 39.625 38.000 -0.061 0.000 1.227 442 I HN -0.243 nan 8.210 nan 0.000 0.456 443 K N 1.611 121.918 120.400 -0.154 0.000 2.118 443 K HA 0.566 4.889 4.320 0.005 0.000 0.254 443 K C -0.994 175.433 176.600 -0.288 0.000 0.961 443 K CA -0.913 55.233 56.287 -0.234 0.000 0.876 443 K CB 2.411 34.828 32.500 -0.138 0.000 1.077 443 K HN 0.404 nan 8.250 nan 0.000 0.440 444 V N 4.017 123.625 119.914 -0.509 0.000 2.585 444 V HA 0.040 4.163 4.120 0.005 0.000 0.296 444 V C -2.050 174.063 176.094 0.032 0.000 1.035 444 V CA -1.348 60.639 62.300 -0.521 0.000 1.084 444 V CB 0.230 31.541 31.823 -0.853 0.000 0.953 444 V HN 0.662 nan 8.190 nan 0.000 0.483 445 P HA 0.026 nan 4.420 nan 0.000 0.264 445 P C 0.829 178.392 177.300 0.438 0.000 1.183 445 P CA 0.149 63.434 63.100 0.308 0.000 0.763 445 P CB 0.390 32.299 31.700 0.348 0.000 0.807 446 R N 3.026 123.723 120.500 0.329 0.000 2.117 446 R HA -0.193 4.150 4.340 0.005 0.000 0.243 446 R C 1.801 178.234 176.300 0.220 0.000 1.143 446 R CA 1.368 57.628 56.100 0.267 0.000 0.968 446 R CB -0.571 29.831 30.300 0.170 0.000 0.863 446 R HN 0.385 nan 8.270 nan 0.000 0.444 447 I N 0.356 121.058 120.570 0.220 0.000 2.423 447 I HA -0.266 3.907 4.170 0.005 0.000 0.254 447 I C 1.231 177.453 176.117 0.176 0.000 1.151 447 I CA 1.467 62.881 61.300 0.190 0.000 1.421 447 I CB -0.250 37.758 38.000 0.014 0.000 1.079 447 I HN 0.213 nan 8.210 nan 0.000 0.431 448 Y N -1.511 118.927 120.300 0.231 0.000 2.509 448 Y HA -0.261 4.292 4.550 0.005 0.000 0.293 448 Y C 2.231 178.189 175.900 0.097 0.000 1.133 448 Y CA 1.326 59.562 58.100 0.226 0.000 1.283 448 Y CB -0.384 38.301 38.460 0.375 0.000 1.001 448 Y HN 0.340 nan 8.280 nan 0.000 0.555 449 Y N -0.725 119.433 120.300 -0.236 0.000 2.181 449 Y HA -0.345 4.208 4.550 0.005 0.000 0.288 449 Y C 1.507 177.140 175.900 -0.444 0.000 1.146 449 Y CA 1.683 59.359 58.100 -0.706 0.000 1.164 449 Y CB -0.647 36.890 38.460 -1.539 0.000 0.982 449 Y HN 0.117 nan 8.280 nan 0.000 0.515 450 Y N -1.348 118.988 120.300 0.060 0.000 2.337 450 Y HA -0.112 4.441 4.550 0.005 0.000 0.293 450 Y C 2.439 178.374 175.900 0.059 0.000 1.123 450 Y CA 1.087 59.270 58.100 0.138 0.000 1.201 450 Y CB -0.788 37.807 38.460 0.226 0.000 1.011 450 Y HN -0.039 nan 8.280 nan 0.000 0.545 451 V N 0.197 120.192 119.914 0.136 0.000 2.261 451 V HA -0.366 3.757 4.120 0.005 0.000 0.246 451 V C 2.220 178.290 176.094 -0.040 0.000 1.047 451 V CA 2.216 64.558 62.300 0.070 0.000 1.015 451 V CB -0.683 31.183 31.823 0.073 0.000 0.642 451 V HN 0.413 nan 8.190 nan 0.000 0.446 452 M N -0.610 118.882 119.600 -0.179 0.000 2.117 452 M HA -0.202 4.281 4.480 0.005 0.000 0.262 452 M C 2.441 178.337 176.300 -0.672 0.000 1.065 452 M CA 1.956 56.939 55.300 -0.529 0.000 1.114 452 M CB -0.501 31.511 32.600 -0.980 0.000 1.361 452 M HN 0.176 nan 8.290 nan 0.000 0.408 453 R N -0.691 119.406 120.500 -0.671 0.000 2.119 453 R HA -0.109 4.235 4.340 0.005 0.000 0.222 453 R C 1.108 177.192 176.300 -0.360 0.000 1.088 453 R CA 1.431 57.213 56.100 -0.530 0.000 0.984 453 R CB 0.255 30.002 30.300 -0.921 0.000 0.884 453 R HN 0.368 nan 8.270 nan 0.000 0.447 454 Y N -1.803 118.554 120.300 0.094 0.000 2.736 454 Y HA 0.180 4.732 4.550 0.005 0.000 0.272 454 Y C 1.830 177.806 175.900 0.126 0.000 1.118 454 Y CA -0.430 57.764 58.100 0.157 0.000 1.248 454 Y CB 0.140 38.670 38.460 0.117 0.000 1.437 454 Y HN -0.130 nan 8.280 nan 0.000 0.481 455 I N 0.157 120.862 120.570 0.224 0.000 2.235 455 I HA -0.161 4.012 4.170 0.005 0.000 0.241 455 I C 1.988 178.185 176.117 0.133 0.000 1.085 455 I CA 1.572 62.964 61.300 0.154 0.000 1.378 455 I CB -1.559 36.489 38.000 0.081 0.000 1.076 455 I HN 0.198 nan 8.210 nan 0.000 0.415 456 T N 2.917 117.504 114.554 0.055 0.000 2.652 456 T HA -0.083 4.270 4.350 0.005 0.000 0.267 456 T C -0.358 174.405 174.700 0.106 0.000 1.039 456 T CA 1.847 63.977 62.100 0.050 0.000 1.153 456 T CB -1.502 67.339 68.868 -0.044 0.000 0.863 456 T HN 0.292 nan 8.240 nan 0.000 0.428 457 P HA 0.024 nan 4.420 nan 0.000 0.217 457 P C 1.424 178.794 177.300 0.116 0.000 1.150 457 P CA 1.303 64.396 63.100 -0.011 0.000 0.832 457 P CB -0.148 31.455 31.700 -0.161 0.000 0.787 458 A N -0.348 122.588 122.820 0.193 0.000 1.873 458 A HA -0.164 4.159 4.320 0.005 0.000 0.215 458 A C 2.172 179.868 177.584 0.185 0.000 1.186 458 A CA 1.176 53.330 52.037 0.195 0.000 0.616 458 A CB -1.834 17.288 19.000 0.204 0.000 0.823 458 A HN 0.095 nan 8.150 nan 0.000 0.442 459 F N 0.730 120.716 119.950 0.060 0.000 2.095 459 F HA -0.191 4.339 4.527 0.005 0.000 0.298 459 F C 1.999 177.848 175.800 0.082 0.000 1.104 459 F CA 1.929 59.960 58.000 0.051 0.000 1.232 459 F CB -0.234 38.800 39.000 0.055 0.000 0.987 459 F HN 0.140 nan 8.300 nan 0.000 0.475 460 L N -0.493 120.885 121.223 0.258 0.000 2.056 460 L HA -0.185 4.158 4.340 0.005 0.000 0.207 460 L C 2.775 179.700 176.870 0.091 0.000 1.078 460 L CA 1.113 56.061 54.840 0.180 0.000 0.749 460 L CB -1.283 40.902 42.059 0.210 0.000 0.901 460 L HN 0.235 nan 8.230 nan 0.000 0.433 461 A N -0.177 122.692 122.820 0.082 0.000 1.877 461 A HA -0.145 4.178 4.320 0.005 0.000 0.216 461 A C 2.350 179.971 177.584 0.062 0.000 1.186 461 A CA 1.734 53.816 52.037 0.075 0.000 0.620 461 A CB -0.823 18.230 19.000 0.089 0.000 0.822 461 A HN 0.179 nan 8.150 nan 0.000 0.443 462 V N -0.250 119.679 119.914 0.024 0.000 2.295 462 V HA -0.255 3.868 4.120 0.005 0.000 0.246 462 V C 2.510 178.597 176.094 -0.011 0.000 1.049 462 V CA 2.030 64.324 62.300 -0.011 0.000 1.024 462 V CB -0.842 30.934 31.823 -0.077 0.000 0.648 462 V HN 0.607 nan 8.190 nan 0.000 0.447 463 L N -0.368 120.816 121.223 -0.064 0.000 2.013 463 L HA -0.204 4.139 4.340 0.005 0.000 0.212 463 L C 2.236 179.222 176.870 0.193 0.000 1.073 463 L CA 2.007 56.840 54.840 -0.012 0.000 0.753 463 L CB -0.465 41.563 42.059 -0.051 0.000 0.890 463 L HN 0.211 nan 8.230 nan 0.000 0.432 464 L N -1.809 119.542 121.223 0.213 0.000 2.083 464 L HA -0.213 4.131 4.340 0.005 0.000 0.209 464 L C 2.368 179.379 176.870 0.235 0.000 1.083 464 L CA 0.974 55.968 54.840 0.257 0.000 0.752 464 L CB -0.566 41.577 42.059 0.141 0.000 0.899 464 L HN 0.152 nan 8.230 nan 0.000 0.433 465 V N -0.937 119.077 119.914 0.167 0.000 2.270 465 V HA -0.238 3.885 4.120 0.005 0.000 0.245 465 V C 2.357 178.562 176.094 0.185 0.000 1.043 465 V CA 1.549 63.937 62.300 0.146 0.000 1.014 465 V CB -0.257 31.626 31.823 0.099 0.000 0.645 465 V HN 0.186 nan 8.190 nan 0.000 0.447 466 V N -1.178 118.844 119.914 0.180 0.000 2.594 466 V HA -0.237 3.886 4.120 0.005 0.000 0.253 466 V C 2.086 178.403 176.094 0.372 0.000 1.069 466 V CA 1.738 64.157 62.300 0.199 0.000 1.082 466 V CB -0.630 31.273 31.823 0.133 0.000 0.680 466 V HN 0.719 nan 8.190 nan 0.000 0.469 467 W N 1.089 122.508 121.300 0.198 0.000 2.380 467 W HA -0.146 4.518 4.660 0.007 0.000 0.317 467 W C 2.568 179.243 176.519 0.261 0.000 1.196 467 W CA 2.015 59.516 57.345 0.260 0.000 1.307 467 W CB -0.826 28.692 29.460 0.097 0.000 1.157 467 W HN 0.260 nan 8.180 nan 0.000 0.483 468 A N 0.354 123.428 122.820 0.424 0.000 2.067 468 A HA -0.141 4.182 4.320 0.005 0.000 0.219 468 A C 2.083 179.790 177.584 0.205 0.000 1.158 468 A CA 1.466 53.647 52.037 0.240 0.000 0.661 468 A CB -0.522 18.562 19.000 0.140 0.000 0.801 468 A HN 0.376 nan 8.150 nan 0.000 0.452 469 R N -1.003 119.616 120.500 0.198 0.000 2.128 469 R HA 0.062 4.405 4.340 0.005 0.000 0.211 469 R C 0.465 176.793 176.300 0.047 0.000 1.067 469 R CA 0.941 57.107 56.100 0.110 0.000 1.010 469 R CB 0.168 30.518 30.300 0.085 0.000 0.922 469 R HN 0.314 nan 8.270 nan 0.000 0.457 470 E N -1.030 119.176 120.200 0.011 0.000 2.734 470 E HA 0.120 4.473 4.350 0.005 0.000 0.211 470 E C -0.226 175.988 176.600 -0.643 0.000 0.991 470 E CA 0.114 56.324 56.400 -0.316 0.000 1.065 470 E CB 0.811 30.233 29.700 -0.465 0.000 1.047 470 E HN 0.319 nan 8.360 nan 0.000 0.470 471 Y N -1.159 119.231 120.300 0.150 0.000 3.032 471 Y HA 0.137 4.690 4.550 0.005 0.000 0.232 471 Y C 1.918 177.905 175.900 0.145 0.000 1.099 471 Y CA -0.182 58.018 58.100 0.166 0.000 1.328 471 Y CB -0.172 38.445 38.460 0.261 0.000 1.432 471 Y HN -0.029 nan 8.280 nan 0.000 0.433 472 I N 0.224 121.001 120.570 0.346 0.000 2.546 472 I HA 0.023 4.196 4.170 0.005 0.000 0.255 472 I C -0.919 175.263 176.117 0.109 0.000 1.163 472 I CA 0.483 61.892 61.300 0.183 0.000 1.457 472 I CB -1.342 36.772 38.000 0.189 0.000 1.092 472 I HN 0.004 nan 8.210 nan 0.000 0.434 473 P HA -0.186 nan 4.420 nan 0.000 0.216 473 P C 1.135 178.470 177.300 0.059 0.000 1.150 473 P CA 1.699 64.849 63.100 0.083 0.000 0.837 473 P CB -0.196 31.543 31.700 0.066 0.000 0.786 474 K N -0.695 119.732 120.400 0.044 0.000 2.504 474 K HA 0.053 4.376 4.320 0.005 0.000 0.195 474 K C 1.930 178.530 176.600 0.000 0.000 1.036 474 K CA 0.703 57.005 56.287 0.025 0.000 0.984 474 K CB -0.229 32.284 32.500 0.021 0.000 0.788 474 K HN 0.282 nan 8.250 nan 0.000 0.488 475 I N -0.279 120.276 120.570 -0.026 0.000 3.790 475 I HA -0.018 4.156 4.170 0.005 0.000 0.305 475 I C 1.671 177.759 176.117 -0.048 0.000 1.253 475 I CA 0.116 61.349 61.300 -0.112 0.000 1.355 475 I CB 0.126 37.929 38.000 -0.329 0.000 1.137 475 I HN 0.083 nan 8.210 nan 0.000 0.435 476 M N 0.298 119.921 119.600 0.038 0.000 2.562 476 M HA -0.036 4.447 4.480 0.005 0.000 0.257 476 M C 1.777 178.154 176.300 0.128 0.000 1.099 476 M CA 1.338 56.703 55.300 0.109 0.000 1.099 476 M CB -0.624 32.079 32.600 0.171 0.000 1.427 476 M HN 0.291 nan 8.290 nan 0.000 0.489 477 E N -0.017 120.238 120.200 0.092 0.000 2.421 477 E HA 0.004 4.357 4.350 0.005 0.000 0.209 477 E C 0.638 177.288 176.600 0.083 0.000 0.871 477 E CA 0.118 56.579 56.400 0.101 0.000 1.064 477 E CB 0.771 30.521 29.700 0.083 0.000 1.075 477 E HN 0.181 nan 8.360 nan 0.000 0.513 478 E N 1.521 121.753 120.200 0.054 0.000 2.496 478 E HA 0.094 4.447 4.350 0.005 0.000 0.202 478 E C -0.376 176.249 176.600 0.041 0.000 1.021 478 E CA 0.139 56.567 56.400 0.046 0.000 1.015 478 E CB 1.184 30.900 29.700 0.027 0.000 1.102 478 E HN 0.218 nan 8.360 nan 0.000 0.452 479 T N -2.588 111.997 114.554 0.052 0.000 2.940 479 T HA 0.258 4.611 4.350 0.005 0.000 0.288 479 T C 0.151 174.919 174.700 0.113 0.000 1.033 479 T CA -0.766 61.365 62.100 0.051 0.000 1.033 479 T CB 2.161 71.024 68.868 -0.009 0.000 1.079 479 T HN 0.094 nan 8.240 nan 0.000 0.496 480 H N 1.708 120.782 119.070 0.008 0.000 2.871 480 H HA -0.019 4.540 4.556 0.005 0.000 0.355 480 H C 1.196 176.550 175.328 0.043 0.000 1.092 480 H CA 0.098 56.151 56.048 0.008 0.000 1.420 480 H CB 0.547 30.245 29.762 -0.107 0.000 1.400 480 H HN 0.937 nan 8.280 nan 0.000 0.604 481 W N 4.192 125.279 121.300 -0.356 0.000 2.364 481 W HA -0.193 4.470 4.660 0.005 0.000 0.281 481 W C 1.215 177.809 176.519 0.125 0.000 1.219 481 W CA 1.365 58.686 57.345 -0.039 0.000 1.220 481 W CB -1.296 28.093 29.460 -0.118 0.000 1.127 481 W HN 0.568 nan 8.180 nan 0.000 0.556 482 T N 0.393 114.536 114.554 -0.684 0.000 3.025 482 T HA -0.172 4.182 4.350 0.005 0.000 0.270 482 T C 1.926 176.580 174.700 -0.076 0.000 1.126 482 T CA 1.764 63.531 62.100 -0.555 0.000 1.105 482 T CB -1.075 67.439 68.868 -0.591 0.000 0.884 482 T HN 0.222 nan 8.240 nan 0.000 0.522 483 V N -2.469 117.432 119.914 -0.022 0.000 2.594 483 V HA -0.062 4.062 4.120 0.005 0.000 0.253 483 V C 2.173 178.253 176.094 -0.023 0.000 1.069 483 V CA 0.829 63.105 62.300 -0.040 0.000 1.082 483 V CB -1.521 30.228 31.823 -0.123 0.000 0.680 483 V HN 0.632 nan 8.190 nan 0.000 0.469 484 W N 0.277 121.677 121.300 0.167 0.000 2.465 484 W HA 0.142 4.806 4.660 0.006 0.000 0.268 484 W C 2.262 178.919 176.519 0.231 0.000 1.242 484 W CA 0.909 58.371 57.345 0.196 0.000 1.248 484 W CB -0.389 29.188 29.460 0.196 0.000 1.118 484 W HN 0.225 nan 8.180 nan 0.000 0.587 485 I N -0.479 120.323 120.570 0.386 0.000 2.179 485 I HA -0.298 3.875 4.170 0.005 0.000 0.242 485 I C 2.298 178.635 176.117 0.368 0.000 1.088 485 I CA 1.531 63.038 61.300 0.344 0.000 1.357 485 I CB -1.015 37.111 38.000 0.209 0.000 1.051 485 I HN -0.153 nan 8.210 nan 0.000 0.409 486 T N 0.400 115.112 114.554 0.263 0.000 2.737 486 T HA -0.113 4.240 4.350 0.005 0.000 0.265 486 T C 2.022 176.899 174.700 0.295 0.000 1.038 486 T CA 1.135 63.396 62.100 0.268 0.000 1.144 486 T CB -0.213 68.773 68.868 0.196 0.000 0.866 486 T HN 0.260 nan 8.240 nan 0.000 0.434 487 R N 0.224 120.856 120.500 0.219 0.000 2.096 487 R HA -0.095 4.248 4.340 0.005 0.000 0.240 487 R C 2.200 178.656 176.300 0.260 0.000 1.139 487 R CA 1.686 57.860 56.100 0.123 0.000 0.952 487 R CB -0.663 29.598 30.300 -0.065 0.000 0.854 487 R HN 0.344 nan 8.270 nan 0.000 0.436 488 F N 0.581 120.686 119.950 0.258 0.000 2.095 488 F HA -0.301 4.229 4.527 0.005 0.000 0.298 488 F C 2.228 178.166 175.800 0.230 0.000 1.104 488 F CA 1.520 59.664 58.000 0.241 0.000 1.232 488 F CB -0.644 38.514 39.000 0.263 0.000 0.987 488 F HN -0.004 nan 8.300 nan 0.000 0.475 489 Y N 1.482 121.858 120.300 0.126 0.000 2.145 489 Y HA -0.189 4.364 4.550 0.005 0.000 0.286 489 Y C 2.339 178.277 175.900 0.062 0.000 1.145 489 Y CA 2.270 60.378 58.100 0.014 0.000 1.148 489 Y CB -0.728 37.821 38.460 0.148 0.000 0.981 489 Y HN 0.289 nan 8.280 nan 0.000 0.507 490 I N -2.240 118.412 120.570 0.136 0.000 2.546 490 I HA -0.143 4.030 4.170 0.005 0.000 0.255 490 I C 1.996 178.285 176.117 0.288 0.000 1.163 490 I CA 1.326 62.763 61.300 0.228 0.000 1.457 490 I CB -0.664 37.579 38.000 0.404 0.000 1.092 490 I HN 0.174 nan 8.210 nan 0.000 0.434 491 I N 2.451 123.057 120.570 0.060 0.000 2.226 491 I HA -0.164 4.009 4.170 0.005 0.000 0.245 491 I C 2.830 178.887 176.117 -0.099 0.000 1.100 491 I CA 1.656 62.911 61.300 -0.075 0.000 1.374 491 I CB -0.852 37.088 38.000 -0.101 0.000 1.057 491 I HN 0.371 nan 8.210 nan 0.000 0.413 492 G N 1.043 109.698 108.800 -0.242 0.000 2.440 492 G HA2 -0.207 3.756 3.960 0.005 0.000 0.218 492 G HA3 -0.207 3.756 3.960 0.005 0.000 0.218 492 G C 1.712 176.538 174.900 -0.122 0.000 1.154 492 G CA 0.501 45.440 45.100 -0.269 0.000 0.767 492 G HN 0.269 nan 8.290 nan 0.000 0.552 493 L N -0.938 120.209 121.223 -0.128 0.000 2.083 493 L HA -0.028 4.315 4.340 0.005 0.000 0.209 493 L C 2.560 179.586 176.870 0.260 0.000 1.083 493 L CA 1.003 55.898 54.840 0.091 0.000 0.752 493 L CB -0.401 41.723 42.059 0.108 0.000 0.899 493 L HN 0.252 nan 8.230 nan 0.000 0.433 494 F N 0.523 120.492 119.950 0.031 0.000 2.134 494 F HA -0.222 4.308 4.527 0.005 0.000 0.299 494 F C 2.257 177.934 175.800 -0.205 0.000 1.097 494 F CA 1.440 59.272 58.000 -0.281 0.000 1.264 494 F CB -0.027 38.501 39.000 -0.786 0.000 1.001 494 F HN -0.118 nan 8.300 nan 0.000 0.479 495 L N -1.020 120.252 121.223 0.082 0.000 2.083 495 L HA -0.223 4.120 4.340 0.005 0.000 0.209 495 L C 2.389 179.274 176.870 0.025 0.000 1.083 495 L CA 1.307 56.167 54.840 0.033 0.000 0.752 495 L CB -0.938 41.126 42.059 0.008 0.000 0.899 495 L HN 0.236 nan 8.230 nan 0.000 0.433 496 F N 1.001 120.902 119.950 -0.082 0.000 2.069 496 F HA -0.237 4.293 4.527 0.005 0.000 0.298 496 F C 2.156 177.926 175.800 -0.050 0.000 1.113 496 F CA 1.627 59.605 58.000 -0.036 0.000 1.214 496 F CB -0.364 38.607 39.000 -0.049 0.000 0.978 496 F HN -0.132 nan 8.300 nan 0.000 0.474 497 L N -0.460 120.506 121.223 -0.428 0.000 2.093 497 L HA -0.202 4.141 4.340 0.005 0.000 0.208 497 L C 2.341 178.864 176.870 -0.578 0.000 1.085 497 L CA 1.655 56.099 54.840 -0.659 0.000 0.755 497 L CB -1.175 40.550 42.059 -0.556 0.000 0.904 497 L HN 0.166 nan 8.230 nan 0.000 0.435 498 T N -0.277 113.988 114.554 -0.482 0.000 2.746 498 T HA -0.209 4.144 4.350 0.005 0.000 0.267 498 T C 1.629 176.259 174.700 -0.118 0.000 1.039 498 T CA 1.317 63.220 62.100 -0.328 0.000 1.142 498 T CB -0.344 68.383 68.868 -0.235 0.000 0.866 498 T HN 0.188 nan 8.240 nan 0.000 0.444 499 F N 1.877 121.695 119.950 -0.220 0.000 2.126 499 F HA -0.035 4.495 4.527 0.005 0.000 0.299 499 F C 1.904 177.662 175.800 -0.069 0.000 1.096 499 F CA 0.965 58.893 58.000 -0.120 0.000 1.255 499 F CB -0.569 38.364 39.000 -0.113 0.000 0.997 499 F HN 0.077 nan 8.300 nan 0.000 0.479 500 L N -1.034 119.991 121.223 -0.331 0.000 2.093 500 L HA -0.201 4.142 4.340 0.005 0.000 0.208 500 L C 2.361 179.185 176.870 -0.076 0.000 1.085 500 L CA 0.931 55.592 54.840 -0.298 0.000 0.755 500 L CB -0.944 40.917 42.059 -0.329 0.000 0.904 500 L HN -0.003 nan 8.230 nan 0.000 0.435 501 V N -0.208 119.629 119.914 -0.127 0.000 2.358 501 V HA -0.309 3.814 4.120 0.005 0.000 0.246 501 V C 2.259 178.317 176.094 -0.061 0.000 1.047 501 V CA 1.852 64.139 62.300 -0.022 0.000 1.035 501 V CB -0.609 31.124 31.823 -0.149 0.000 0.658 501 V HN 0.366 nan 8.190 nan 0.000 0.452 502 F N 0.433 120.253 119.950 -0.218 0.000 2.126 502 F HA -0.200 4.330 4.527 0.005 0.000 0.299 502 F C 2.050 177.688 175.800 -0.269 0.000 1.096 502 F CA 1.762 59.633 58.000 -0.216 0.000 1.255 502 F CB -0.214 38.679 39.000 -0.179 0.000 0.997 502 F HN 0.029 nan 8.300 nan 0.000 0.479 503 L N 0.051 121.054 121.223 -0.367 0.000 2.046 503 L HA -0.189 4.154 4.340 0.005 0.000 0.208 503 L C 2.879 179.543 176.870 -0.343 0.000 1.077 503 L CA 1.125 55.704 54.840 -0.435 0.000 0.747 503 L CB -1.294 40.508 42.059 -0.428 0.000 0.896 503 L HN 0.297 nan 8.230 nan 0.000 0.432 504 A N 0.937 123.613 122.820 -0.241 0.000 1.908 504 A HA -0.248 4.075 4.320 0.005 0.000 0.218 504 A C 2.151 179.602 177.584 -0.221 0.000 1.181 504 A CA 1.993 53.904 52.037 -0.210 0.000 0.627 504 A CB -0.535 18.378 19.000 -0.146 0.000 0.818 504 A HN 0.654 nan 8.150 nan 0.000 0.445 505 E N -0.979 119.061 120.200 -0.268 0.000 2.106 505 E HA -0.174 4.179 4.350 0.005 0.000 0.192 505 E C 1.945 178.368 176.600 -0.294 0.000 0.984 505 E CA 0.748 56.984 56.400 -0.273 0.000 0.806 505 E CB -0.286 29.238 29.700 -0.295 0.000 0.750 505 E HN 0.328 nan 8.360 nan 0.000 0.458 506 R N 0.988 121.234 120.500 -0.423 0.000 2.115 506 R HA -0.003 4.340 4.340 0.005 0.000 0.230 506 R C 2.294 178.480 176.300 -0.190 0.000 1.111 506 R CA 1.041 56.933 56.100 -0.347 0.000 0.976 506 R CB -0.696 29.320 30.300 -0.473 0.000 0.870 506 R HN 0.268 nan 8.270 nan 0.000 0.445 507 R N 0.919 121.302 120.500 -0.194 0.000 2.075 507 R HA -0.046 4.297 4.340 0.005 0.000 0.232 507 R C 2.285 178.550 176.300 -0.059 0.000 1.126 507 R CA 1.180 57.206 56.100 -0.124 0.000 0.963 507 R CB -0.117 30.092 30.300 -0.151 0.000 0.858 507 R HN 0.073 nan 8.270 nan 0.000 0.435 508 R N 0.546 120.994 120.500 -0.087 0.000 2.081 508 R HA -0.105 4.238 4.340 0.005 0.000 0.235 508 R C 1.648 177.927 176.300 -0.035 0.000 1.131 508 R CA 1.982 58.050 56.100 -0.054 0.000 0.960 508 R CB -0.323 29.939 30.300 -0.064 0.000 0.856 508 R HN 0.428 nan 8.270 nan 0.000 0.436 509 N N -0.535 118.133 118.700 -0.053 0.000 2.084 509 N HA -0.225 4.518 4.740 0.005 0.000 0.190 509 N C 1.931 177.434 175.510 -0.012 0.000 1.030 509 N CA 1.039 54.066 53.050 -0.039 0.000 0.849 509 N CB -0.330 38.119 38.487 -0.063 0.000 1.012 509 N HN 0.339 nan 8.380 nan 0.000 0.423 510 H N 1.388 120.411 119.070 -0.080 0.000 2.457 510 H HA -0.051 4.508 4.556 0.005 0.000 0.294 510 H C 1.749 177.047 175.328 -0.051 0.000 1.064 510 H CA 1.253 57.263 56.048 -0.062 0.000 1.330 510 H CB 0.261 29.982 29.762 -0.068 0.000 1.395 510 H HN 0.352 nan 8.280 nan 0.000 0.541 511 E N -0.113 120.115 120.200 0.047 0.000 2.112 511 E HA -0.071 4.282 4.350 0.005 0.000 0.190 511 E C 2.228 178.797 176.600 -0.053 0.000 0.979 511 E CA 0.691 57.097 56.400 0.010 0.000 0.814 511 E CB 0.296 30.011 29.700 0.024 0.000 0.762 511 E HN 0.322 nan 8.360 nan 0.000 0.460 512 S N 0.458 116.130 115.700 -0.046 0.000 2.399 512 S HA -0.110 4.363 4.470 0.005 0.000 0.231 512 S C 1.935 176.495 174.600 -0.066 0.000 1.022 512 S CA 0.893 59.067 58.200 -0.043 0.000 0.983 512 S CB -0.051 63.133 63.200 -0.027 0.000 0.803 512 S HN 0.411 nan 8.310 nan 0.000 0.480 513 A N 0.929 123.685 122.820 -0.105 0.000 2.119 513 A HA 0.215 4.538 4.320 0.005 0.000 0.217 513 A C 2.041 179.539 177.584 -0.144 0.000 1.153 513 A CA 1.271 53.233 52.037 -0.125 0.000 0.692 513 A CB -0.653 18.252 19.000 -0.158 0.000 0.799 513 A HN 0.508 nan 8.150 nan 0.000 0.458 514 G N -0.957 107.745 108.800 -0.164 0.000 2.986 514 G HA2 0.294 4.257 3.960 0.005 0.000 0.213 514 G HA3 0.294 4.257 3.960 0.005 0.000 0.213 514 G C 0.819 175.675 174.900 -0.072 0.000 1.156 514 G CA 0.988 46.008 45.100 -0.132 0.000 0.763 514 G HN 0.642 nan 8.290 nan 0.000 0.547 515 T N 0.000 114.518 114.554 -0.059 0.000 3.816 515 T HA 0.000 4.353 4.350 0.005 0.000 0.228 515 T CA 0.000 62.077 62.100 -0.038 0.000 1.349 515 T CB 0.000 68.850 68.868 -0.029 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658