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 3gwv_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 VVWAREYIXX XXXXTHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNH 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 0.000 176.106 176.300 -0.324 0.000 0.893 5 R CA 0.000 55.983 56.100 -0.195 0.000 0.921 5 R CB 0.000 30.146 30.300 -0.256 0.000 0.687 6 E N 2.210 122.250 120.200 -0.266 0.000 2.467 6 E HA -0.040 4.313 4.350 0.004 0.000 0.264 6 E C -0.741 175.557 176.600 -0.505 0.000 1.020 6 E CA 0.987 57.190 56.400 -0.328 0.000 0.945 6 E CB 0.403 29.849 29.700 -0.424 0.000 0.942 6 E HN 0.407 nan 8.360 nan 0.000 0.449 7 H N 0.086 119.050 119.070 -0.176 0.000 2.980 7 H HA 0.227 4.785 4.556 0.004 0.000 0.367 7 H C -1.099 174.095 175.328 -0.224 0.000 1.206 7 H CA -0.836 55.126 56.048 -0.143 0.000 1.126 7 H CB 0.770 30.534 29.762 0.003 0.000 1.838 7 H HN 0.423 nan 8.280 nan 0.000 0.552 8 W N 1.449 122.830 121.300 0.134 0.000 2.251 8 W HA 0.312 4.975 4.660 0.004 0.000 0.327 8 W C 1.097 177.647 176.519 0.052 0.000 1.361 8 W CA 0.004 57.374 57.345 0.041 0.000 1.234 8 W CB 0.387 29.876 29.460 0.047 0.000 1.212 8 W HN 0.781 nan 8.180 nan 0.000 0.557 9 A N 2.608 125.564 122.820 0.226 0.000 1.841 9 A HA -0.046 4.276 4.320 0.004 0.000 0.214 9 A C 1.138 178.802 177.584 0.133 0.000 1.195 9 A CA 1.769 53.887 52.037 0.136 0.000 0.611 9 A CB -0.973 18.078 19.000 0.085 0.000 0.835 9 A HN 0.565 nan 8.150 nan 0.000 0.443 10 T N -4.182 110.455 114.554 0.139 0.000 2.885 10 T HA 0.534 4.886 4.350 0.004 0.000 0.285 10 T C 0.449 175.200 174.700 0.085 0.000 1.019 10 T CA -0.204 61.951 62.100 0.092 0.000 1.010 10 T CB 2.015 70.920 68.868 0.060 0.000 1.022 10 T HN 0.318 nan 8.240 nan 0.000 0.466 11 R N 0.713 121.246 120.500 0.055 0.000 2.091 11 R HA -0.061 4.281 4.340 0.004 0.000 0.238 11 R C 2.045 178.346 176.300 0.001 0.000 1.136 11 R CA 1.761 57.880 56.100 0.032 0.000 0.959 11 R CB -1.045 29.269 30.300 0.024 0.000 0.856 11 R HN 0.658 nan 8.270 nan 0.000 0.437 12 L N 0.016 121.241 121.223 0.002 0.000 2.017 12 L HA 0.091 4.433 4.340 0.004 0.000 0.208 12 L C 2.191 179.045 176.870 -0.026 0.000 1.073 12 L CA 2.412 57.244 54.840 -0.013 0.000 0.745 12 L CB -1.085 40.970 42.059 -0.006 0.000 0.894 12 L HN 0.322 nan 8.230 nan 0.000 0.432 13 G N -0.489 108.308 108.800 -0.004 0.000 2.443 13 G HA2 -0.254 3.708 3.960 0.004 0.000 0.219 13 G HA3 -0.254 3.708 3.960 0.004 0.000 0.219 13 G C 1.547 176.382 174.900 -0.109 0.000 1.131 13 G CA 0.894 45.994 45.100 -0.000 0.000 0.775 13 G HN 0.438 nan 8.290 nan 0.000 0.547 14 L N 0.789 121.894 121.223 -0.197 0.000 2.027 14 L HA 0.061 4.403 4.340 0.004 0.000 0.206 14 L C 2.577 179.242 176.870 -0.342 0.000 1.074 14 L CA 1.350 55.845 54.840 -0.575 0.000 0.745 14 L CB -0.341 41.450 42.059 -0.447 0.000 0.898 14 L HN 0.120 nan 8.230 nan 0.000 0.433 15 I N -0.447 120.052 120.570 -0.119 0.000 2.163 15 I HA -0.315 3.857 4.170 0.004 0.000 0.243 15 I C 2.578 178.671 176.117 -0.040 0.000 1.085 15 I CA 1.657 62.941 61.300 -0.027 0.000 1.347 15 I CB -0.935 37.051 38.000 -0.024 0.000 1.044 15 I HN 0.346 nan 8.210 nan 0.000 0.408 16 L N 0.514 121.700 121.223 -0.062 0.000 2.109 16 L HA -0.113 4.229 4.340 0.004 0.000 0.207 16 L C 2.864 179.716 176.870 -0.029 0.000 1.086 16 L CA 1.017 55.832 54.840 -0.041 0.000 0.760 16 L CB -0.616 41.420 42.059 -0.038 0.000 0.910 16 L HN 0.183 nan 8.230 nan 0.000 0.437 17 A N -0.189 122.585 122.820 -0.076 0.000 1.877 17 A HA -0.203 4.119 4.320 0.004 0.000 0.216 17 A C 2.335 179.989 177.584 0.116 0.000 1.186 17 A CA 1.435 53.474 52.037 0.003 0.000 0.620 17 A CB -0.341 18.547 19.000 -0.188 0.000 0.822 17 A HN 0.240 nan 8.150 nan 0.000 0.443 18 M N -0.542 119.052 119.600 -0.010 0.000 2.132 18 M HA -0.108 4.374 4.480 0.004 0.000 0.263 18 M C 2.560 178.878 176.300 0.030 0.000 1.065 18 M CA 1.565 56.889 55.300 0.040 0.000 1.122 18 M CB -1.265 31.385 32.600 0.084 0.000 1.365 18 M HN 0.501 nan 8.290 nan 0.000 0.411 19 A N 0.340 123.178 122.820 0.030 0.000 1.902 19 A HA -0.047 4.275 4.320 0.004 0.000 0.217 19 A C 2.392 179.982 177.584 0.011 0.000 1.181 19 A CA 2.012 54.060 52.037 0.018 0.000 0.623 19 A CB -1.437 17.568 19.000 0.008 0.000 0.818 19 A HN 0.525 nan 8.150 nan 0.000 0.443 20 G N 0.136 108.949 108.800 0.022 0.000 2.422 20 G HA2 -0.323 3.639 3.960 0.004 0.000 0.218 20 G HA3 -0.323 3.639 3.960 0.004 0.000 0.218 20 G C 1.553 176.447 174.900 -0.010 0.000 1.146 20 G CA 1.213 46.330 45.100 0.029 0.000 0.769 20 G HN 0.569 nan 8.290 nan 0.000 0.547 21 N N 1.723 120.395 118.700 -0.047 0.000 2.036 21 N HA -0.137 4.605 4.740 0.004 0.000 0.195 21 N C 2.409 177.787 175.510 -0.220 0.000 1.037 21 N CA 2.070 54.988 53.050 -0.220 0.000 0.855 21 N CB -0.568 37.679 38.487 -0.399 0.000 1.033 21 N HN 0.258 nan 8.380 nan 0.000 0.423 22 A N 0.737 123.472 122.820 -0.141 0.000 1.874 22 A HA 0.109 4.432 4.320 0.004 0.000 0.214 22 A C 0.988 178.532 177.584 -0.066 0.000 1.189 22 A CA 0.533 52.499 52.037 -0.119 0.000 0.615 22 A CB -0.483 18.482 19.000 -0.058 0.000 0.830 22 A HN 0.099 nan 8.150 nan 0.000 0.443 23 V N 0.952 120.856 119.914 -0.017 0.000 2.381 23 V HA 0.515 4.637 4.120 0.004 0.000 0.257 23 V C 0.787 176.939 176.094 0.096 0.000 1.057 23 V CA 0.396 62.716 62.300 0.034 0.000 1.013 23 V CB -0.245 31.620 31.823 0.071 0.000 1.069 23 V HN 0.593 nan 8.190 nan 0.000 0.484 24 G N 2.811 111.691 108.800 0.133 0.000 2.976 24 G HA2 0.436 4.398 3.960 0.004 0.000 0.276 24 G HA3 0.436 4.398 3.960 0.004 0.000 0.276 24 G C 0.396 175.486 174.900 0.317 0.000 1.207 24 G CA -0.803 44.436 45.100 0.232 0.000 0.803 24 G HN 0.430 nan 8.290 nan 0.000 0.572 25 L N 0.842 122.266 121.223 0.335 0.000 2.129 25 L HA -0.063 4.280 4.340 0.004 0.000 0.212 25 L C 2.989 180.059 176.870 0.333 0.000 1.087 25 L CA 1.513 56.508 54.840 0.259 0.000 0.757 25 L CB -0.639 41.443 42.059 0.039 0.000 0.896 25 L HN 0.648 nan 8.230 nan 0.000 0.434 26 G N 0.228 109.319 108.800 0.486 0.000 2.442 26 G HA2 -0.273 3.690 3.960 0.004 0.000 0.219 26 G HA3 -0.273 3.690 3.960 0.004 0.000 0.219 26 G C 1.300 176.353 174.900 0.255 0.000 1.141 26 G CA 1.028 46.423 45.100 0.493 0.000 0.763 26 G HN 0.406 nan 8.290 nan 0.000 0.554 27 N N 0.106 118.856 118.700 0.084 0.000 2.216 27 N HA 0.009 4.752 4.740 0.004 0.000 0.183 27 N C 1.473 176.829 175.510 -0.258 0.000 1.017 27 N CA 1.006 53.914 53.050 -0.237 0.000 0.861 27 N CB -0.254 37.851 38.487 -0.637 0.000 0.986 27 N HN 0.410 nan 8.380 nan 0.000 0.428 28 F N -0.798 119.248 119.950 0.160 0.000 2.678 28 F HA 0.369 4.898 4.527 0.003 0.000 0.291 28 F C 1.621 177.553 175.800 0.220 0.000 1.123 28 F CA 0.091 58.206 58.000 0.192 0.000 1.395 28 F CB 0.230 39.265 39.000 0.059 0.000 1.121 28 F HN -0.075 nan 8.300 nan 0.000 0.592 29 L N -1.262 120.134 121.223 0.289 0.000 2.515 29 L HA 0.198 4.540 4.340 0.004 0.000 0.202 29 L C 2.433 179.357 176.870 0.091 0.000 1.056 29 L CA 0.321 55.281 54.840 0.201 0.000 0.847 29 L CB -0.206 41.968 42.059 0.193 0.000 1.131 29 L HN -0.122 nan 8.230 nan 0.000 0.484 30 R N 0.012 120.558 120.500 0.077 0.000 2.062 30 R HA -0.119 4.223 4.340 0.004 0.000 0.226 30 R C 2.391 178.683 176.300 -0.014 0.000 1.125 30 R CA 1.293 57.375 56.100 -0.031 0.000 0.966 30 R CB -0.243 29.992 30.300 -0.107 0.000 0.861 30 R HN 0.113 nan 8.270 nan 0.000 0.433 31 F N 2.371 122.286 119.950 -0.058 0.000 2.065 31 F HA -0.121 4.408 4.527 0.004 0.000 0.298 31 F C -1.193 174.477 175.800 -0.217 0.000 1.112 31 F CA 1.518 59.449 58.000 -0.115 0.000 1.212 31 F CB -1.003 37.945 39.000 -0.087 0.000 0.975 31 F HN 0.066 nan 8.300 nan 0.000 0.476 32 P HA -0.149 nan 4.420 nan 0.000 0.216 32 P C 2.155 179.227 177.300 -0.379 0.000 1.153 32 P CA 1.745 64.644 63.100 -0.335 0.000 0.848 32 P CB -0.094 31.580 31.700 -0.044 0.000 0.787 33 V N -0.091 119.661 119.914 -0.269 0.000 2.343 33 V HA -0.248 3.874 4.120 0.004 0.000 0.247 33 V C 2.566 178.440 176.094 -0.366 0.000 1.051 33 V CA 1.745 63.892 62.300 -0.255 0.000 1.036 33 V CB -1.074 30.636 31.823 -0.188 0.000 0.654 33 V HN 0.143 nan 8.190 nan 0.000 0.451 34 Q N -0.242 119.269 119.800 -0.483 0.000 2.079 34 Q HA -0.114 4.228 4.340 0.004 0.000 0.200 34 Q C 2.417 177.710 176.000 -1.178 0.000 0.974 34 Q CA 1.909 57.313 55.803 -0.665 0.000 0.840 34 Q CB -0.639 27.762 28.738 -0.562 0.000 0.898 34 Q HN 0.650 nan 8.270 nan 0.000 0.430 35 A N 0.887 122.865 122.820 -1.404 0.000 1.930 35 A HA 0.014 4.336 4.320 0.004 0.000 0.217 35 A C 2.280 179.445 177.584 -0.699 0.000 1.175 35 A CA 1.649 52.846 52.037 -1.401 0.000 0.627 35 A CB -0.498 17.680 19.000 -1.371 0.000 0.815 35 A HN 0.343 nan 8.150 nan 0.000 0.443 36 A N -0.290 122.271 122.820 -0.431 0.000 1.968 36 A HA -0.075 4.248 4.320 0.004 0.000 0.217 36 A C 1.856 179.406 177.584 -0.056 0.000 1.169 36 A CA 1.398 53.396 52.037 -0.064 0.000 0.638 36 A CB -0.383 18.591 19.000 -0.043 0.000 0.812 36 A HN 0.606 nan 8.150 nan 0.000 0.446 37 E N 0.070 120.157 120.200 -0.189 0.000 2.208 37 E HA -0.057 4.296 4.350 0.004 0.000 0.193 37 E C 0.143 176.679 176.600 -0.107 0.000 0.988 37 E CA 0.594 56.914 56.400 -0.133 0.000 0.828 37 E CB -0.002 29.603 29.700 -0.158 0.000 0.763 37 E HN 0.500 nan 8.360 nan 0.000 0.478 38 N N -0.158 118.436 118.700 -0.175 0.000 2.538 38 N HA 0.099 4.841 4.740 0.004 0.000 0.291 38 N C 0.143 175.595 175.510 -0.097 0.000 1.323 38 N CA 0.465 53.460 53.050 -0.092 0.000 0.934 38 N CB 1.518 40.005 38.487 -0.001 0.000 1.255 38 N HN 0.183 nan 8.380 nan 0.000 0.509 39 G N 0.350 109.091 108.800 -0.098 0.000 2.143 39 G HA2 -0.300 3.662 3.960 0.004 0.000 0.248 39 G HA3 -0.300 3.662 3.960 0.004 0.000 0.248 39 G C 0.980 175.603 174.900 -0.462 0.000 0.991 39 G CA 0.544 45.560 45.100 -0.141 0.000 0.689 39 G HN 0.710 nan 8.290 nan 0.000 0.522 40 G N -0.349 108.048 108.800 -0.671 0.000 3.581 40 G HA2 -0.077 3.885 3.960 0.004 0.000 0.336 40 G HA3 -0.077 3.885 3.960 0.004 0.000 0.336 40 G C 2.049 176.569 174.900 -0.633 0.000 1.259 40 G CA 1.875 46.342 45.100 -1.055 0.000 1.001 40 G HN 1.953 nan 8.290 nan 0.000 0.662 41 G N 0.657 109.107 108.800 -0.583 0.000 2.572 41 G HA2 0.369 4.331 3.960 0.004 0.000 0.216 41 G HA3 0.369 4.331 3.960 0.004 0.000 0.216 41 G C 1.940 176.659 174.900 -0.302 0.000 1.133 41 G CA 2.186 47.054 45.100 -0.387 0.000 0.791 41 G HN 1.703 nan 8.290 nan 0.000 0.538 42 A N 0.305 122.954 122.820 -0.285 0.000 2.067 42 A HA 0.138 4.460 4.320 0.004 0.000 0.219 42 A C 1.974 179.443 177.584 -0.193 0.000 1.158 42 A CA 1.098 52.999 52.037 -0.225 0.000 0.661 42 A CB -0.387 18.511 19.000 -0.170 0.000 0.801 42 A HN 0.423 nan 8.150 nan 0.000 0.452 43 F N -0.498 119.250 119.950 -0.337 0.000 2.416 43 F HA 0.011 4.540 4.527 0.003 0.000 0.296 43 F C 1.994 177.639 175.800 -0.258 0.000 1.099 43 F CA 1.066 58.878 58.000 -0.313 0.000 1.427 43 F CB 0.004 38.792 39.000 -0.354 0.000 1.079 43 F HN 0.057 nan 8.300 nan 0.000 0.536 44 M N 0.012 119.477 119.600 -0.224 0.000 2.254 44 M HA -0.105 4.377 4.480 0.004 0.000 0.265 44 M C 2.087 178.311 176.300 -0.126 0.000 1.066 44 M CA 0.919 56.101 55.300 -0.198 0.000 1.123 44 M CB -0.931 31.525 32.600 -0.240 0.000 1.388 44 M HN 0.143 nan 8.290 nan 0.000 0.425 45 I N 0.635 121.101 120.570 -0.173 0.000 2.163 45 I HA -0.146 4.026 4.170 0.004 0.000 0.240 45 I C -0.395 175.587 176.117 -0.226 0.000 1.081 45 I CA 1.384 62.616 61.300 -0.112 0.000 1.353 45 I CB -2.951 35.021 38.000 -0.047 0.000 1.054 45 I HN 0.105 nan 8.210 nan 0.000 0.407 46 P HA -0.198 nan 4.420 nan 0.000 0.218 46 P C 1.932 179.022 177.300 -0.350 0.000 1.149 46 P CA 1.328 63.932 63.100 -0.827 0.000 0.817 46 P CB -0.238 30.601 31.700 -1.435 0.000 0.785 47 Y N 0.185 120.180 120.300 -0.508 0.000 2.181 47 Y HA -0.158 4.395 4.550 0.004 0.000 0.288 47 Y C 2.048 177.892 175.900 -0.094 0.000 1.146 47 Y CA 1.448 59.328 58.100 -0.365 0.000 1.164 47 Y CB -0.754 37.405 38.460 -0.502 0.000 0.982 47 Y HN -0.181 nan 8.280 nan 0.000 0.515 48 I N -0.340 120.260 120.570 0.050 0.000 2.233 48 I HA -0.293 3.879 4.170 0.004 0.000 0.243 48 I C 2.201 178.372 176.117 0.090 0.000 1.093 48 I CA 1.334 62.696 61.300 0.102 0.000 1.380 48 I CB -0.326 37.766 38.000 0.154 0.000 1.067 48 I HN 0.197 nan 8.210 nan 0.000 0.413 49 I N 0.809 121.418 120.570 0.065 0.000 2.226 49 I HA -0.291 3.881 4.170 0.004 0.000 0.245 49 I C 2.782 178.889 176.117 -0.016 0.000 1.100 49 I CA 1.328 62.680 61.300 0.087 0.000 1.374 49 I CB -0.513 37.632 38.000 0.242 0.000 1.057 49 I HN 0.187 nan 8.210 nan 0.000 0.413 50 A N 0.750 123.556 122.820 -0.022 0.000 1.902 50 A HA -0.261 4.062 4.320 0.004 0.000 0.217 50 A C 2.238 179.725 177.584 -0.163 0.000 1.181 50 A CA 1.453 53.424 52.037 -0.111 0.000 0.623 50 A CB -0.977 18.014 19.000 -0.015 0.000 0.818 50 A HN 0.464 nan 8.150 nan 0.000 0.443 51 F N 0.566 120.334 119.950 -0.305 0.000 2.161 51 F HA -0.128 4.401 4.527 0.004 0.000 0.300 51 F C 1.779 177.459 175.800 -0.201 0.000 1.089 51 F CA 1.717 59.537 58.000 -0.299 0.000 1.282 51 F CB -0.206 38.598 39.000 -0.327 0.000 1.010 51 F HN 0.139 nan 8.300 nan 0.000 0.485 52 L N -0.651 120.435 121.223 -0.227 0.000 2.179 52 L HA -0.095 4.247 4.340 0.004 0.000 0.208 52 L C 2.093 178.891 176.870 -0.120 0.000 1.096 52 L CA 0.762 55.483 54.840 -0.198 0.000 0.779 52 L CB -0.410 41.639 42.059 -0.016 0.000 0.922 52 L HN 0.177 nan 8.230 nan 0.000 0.443 53 L N -1.846 119.253 121.223 -0.206 0.000 2.513 53 L HA 0.069 4.411 4.340 0.004 0.000 0.222 53 L C 1.687 178.378 176.870 -0.298 0.000 1.096 53 L CA -0.020 54.674 54.840 -0.243 0.000 0.857 53 L CB 0.486 42.297 42.059 -0.414 0.000 1.026 53 L HN 0.022 nan 8.230 nan 0.000 0.469 54 V N -1.361 118.349 119.914 -0.339 0.000 3.029 54 V HA 0.207 4.329 4.120 0.004 0.000 0.230 54 V C 2.327 178.201 176.094 -0.366 0.000 1.254 54 V CA 0.995 63.112 62.300 -0.305 0.000 1.276 54 V CB -0.307 31.376 31.823 -0.234 0.000 1.080 54 V HN 0.298 nan 8.190 nan 0.000 0.495 55 G N 1.105 109.668 108.800 -0.395 0.000 2.459 55 G HA2 -0.190 3.772 3.960 0.004 0.000 0.217 55 G HA3 -0.190 3.772 3.960 0.004 0.000 0.217 55 G C 1.470 176.038 174.900 -0.552 0.000 1.183 55 G CA 1.279 46.130 45.100 -0.415 0.000 0.776 55 G HN 0.302 nan 8.290 nan 0.000 0.552 56 I N 2.252 122.338 120.570 -0.807 0.000 2.133 56 I HA -0.071 4.101 4.170 0.004 0.000 0.238 56 I C 0.210 175.781 176.117 -0.910 0.000 1.074 56 I CA 1.224 61.899 61.300 -1.041 0.000 1.342 56 I CB -1.988 35.270 38.000 -1.236 0.000 1.053 56 I HN 0.156 nan 8.210 nan 0.000 0.404 57 P HA -0.165 nan 4.420 nan 0.000 0.215 57 P C 2.276 179.504 177.300 -0.120 0.000 1.153 57 P CA 1.582 64.552 63.100 -0.217 0.000 0.853 57 P CB -0.060 31.594 31.700 -0.078 0.000 0.788 58 L N -1.937 119.168 121.223 -0.196 0.000 2.156 58 L HA -0.102 4.240 4.340 0.004 0.000 0.208 58 L C 2.772 179.602 176.870 -0.067 0.000 1.095 58 L CA 1.050 55.814 54.840 -0.127 0.000 0.770 58 L CB -0.657 41.276 42.059 -0.210 0.000 0.914 58 L HN -0.023 nan 8.230 nan 0.000 0.439 59 M N -0.658 118.851 119.600 -0.153 0.000 2.086 59 M HA -0.241 4.241 4.480 0.004 0.000 0.261 59 M C 1.946 178.338 176.300 0.155 0.000 1.067 59 M CA 1.992 57.271 55.300 -0.035 0.000 1.116 59 M CB -0.452 32.011 32.600 -0.227 0.000 1.348 59 M HN 0.148 nan 8.290 nan 0.000 0.407 60 W N 0.326 121.598 121.300 -0.046 0.000 2.363 60 W HA -0.075 4.588 4.660 0.004 0.000 0.296 60 W C 2.287 178.855 176.519 0.083 0.000 1.212 60 W CA 1.104 58.420 57.345 -0.047 0.000 1.260 60 W CB -1.130 28.239 29.460 -0.153 0.000 1.131 60 W HN 0.273 nan 8.180 nan 0.000 0.530 61 I N 0.196 120.947 120.570 0.302 0.000 2.179 61 I HA -0.298 3.874 4.170 0.004 0.000 0.242 61 I C 2.221 178.360 176.117 0.036 0.000 1.088 61 I CA 1.550 62.981 61.300 0.220 0.000 1.357 61 I CB -0.506 37.619 38.000 0.208 0.000 1.051 61 I HN -0.039 nan 8.210 nan 0.000 0.409 62 E N -0.266 119.992 120.200 0.097 0.000 2.106 62 E HA -0.219 4.133 4.350 0.004 0.000 0.192 62 E C 2.047 178.701 176.600 0.089 0.000 0.984 62 E CA 1.194 57.627 56.400 0.055 0.000 0.806 62 E CB -0.125 29.613 29.700 0.064 0.000 0.750 62 E HN 0.477 nan 8.360 nan 0.000 0.458 63 W N 1.120 122.436 121.300 0.026 0.000 2.355 63 W HA -0.155 4.507 4.660 0.004 0.000 0.309 63 W C 2.589 179.130 176.519 0.037 0.000 1.206 63 W CA 1.399 58.780 57.345 0.060 0.000 1.284 63 W CB -0.614 28.907 29.460 0.102 0.000 1.145 63 W HN 0.073 nan 8.180 nan 0.000 0.502 64 A N -0.201 122.768 122.820 0.248 0.000 1.858 64 A HA -0.234 4.088 4.320 0.004 0.000 0.216 64 A C 1.966 179.516 177.584 -0.057 0.000 1.190 64 A CA 2.145 54.257 52.037 0.125 0.000 0.617 64 A CB -0.948 18.160 19.000 0.180 0.000 0.827 64 A HN 0.256 nan 8.150 nan 0.000 0.443 65 M N -0.536 118.852 119.600 -0.353 0.000 2.108 65 M HA -0.125 4.357 4.480 0.004 0.000 0.261 65 M C 2.296 178.572 176.300 -0.040 0.000 1.066 65 M CA 1.474 56.553 55.300 -0.368 0.000 1.107 65 M CB -0.679 31.669 32.600 -0.420 0.000 1.356 65 M HN 0.530 nan 8.290 nan 0.000 0.406 66 G N 0.022 108.815 108.800 -0.012 0.000 2.453 66 G HA2 -0.226 3.736 3.960 0.004 0.000 0.215 66 G HA3 -0.226 3.736 3.960 0.004 0.000 0.215 66 G C 1.565 176.490 174.900 0.041 0.000 1.201 66 G CA 0.842 45.945 45.100 0.005 0.000 0.784 66 G HN 0.380 nan 8.290 nan 0.000 0.545 67 R N -0.933 119.630 120.500 0.105 0.000 2.091 67 R HA -0.169 4.173 4.340 0.004 0.000 0.238 67 R C 2.261 178.644 176.300 0.139 0.000 1.136 67 R CA 1.642 57.826 56.100 0.140 0.000 0.959 67 R CB -0.557 29.864 30.300 0.202 0.000 0.856 67 R HN 0.447 nan 8.270 nan 0.000 0.437 68 Y N 0.294 120.618 120.300 0.041 0.000 2.097 68 Y HA -0.159 4.393 4.550 0.004 0.000 0.282 68 Y C 2.153 178.073 175.900 0.033 0.000 1.152 68 Y CA 2.079 60.205 58.100 0.044 0.000 1.136 68 Y CB -0.803 37.669 38.460 0.020 0.000 0.975 68 Y HN 0.171 nan 8.280 nan 0.000 0.498 69 G N -0.734 108.136 108.800 0.118 0.000 2.433 69 G HA2 -0.260 3.702 3.960 0.004 0.000 0.216 69 G HA3 -0.260 3.702 3.960 0.004 0.000 0.216 69 G C 1.913 176.801 174.900 -0.021 0.000 1.186 69 G CA 0.796 45.928 45.100 0.054 0.000 0.779 69 G HN 0.624 nan 8.290 nan 0.000 0.543 70 G N 1.067 109.833 108.800 -0.057 0.000 2.450 70 G HA2 0.014 3.977 3.960 0.004 0.000 0.220 70 G HA3 0.014 3.977 3.960 0.004 0.000 0.220 70 G C 1.999 176.856 174.900 -0.072 0.000 1.130 70 G CA 1.514 46.542 45.100 -0.120 0.000 0.760 70 G HN 0.696 nan 8.290 nan 0.000 0.557 71 A N -0.062 122.731 122.820 -0.045 0.000 2.019 71 A HA -0.002 4.320 4.320 0.004 0.000 0.219 71 A C 2.150 179.691 177.584 -0.071 0.000 1.164 71 A CA 1.506 53.521 52.037 -0.038 0.000 0.644 71 A CB -0.157 18.812 19.000 -0.051 0.000 0.805 71 A HN 0.472 nan 8.150 nan 0.000 0.449 72 Q N -1.691 118.052 119.800 -0.096 0.000 2.220 72 Q HA 0.315 4.657 4.340 0.004 0.000 0.205 72 Q C 0.783 176.747 176.000 -0.059 0.000 0.865 72 Q CA 0.238 56.014 55.803 -0.044 0.000 0.960 72 Q CB 0.401 29.128 28.738 -0.020 0.000 1.097 72 Q HN 0.818 nan 8.270 nan 0.000 0.493 73 G N 1.460 110.165 108.800 -0.158 0.000 2.137 73 G HA2 -0.208 3.754 3.960 0.004 0.000 0.237 73 G HA3 -0.208 3.754 3.960 0.004 0.000 0.237 73 G C -0.358 174.195 174.900 -0.578 0.000 1.002 73 G CA -0.262 44.636 45.100 -0.338 0.000 0.702 73 G HN 0.448 nan 8.290 nan 0.000 0.515 74 H N -0.913 118.098 119.070 -0.099 0.000 2.658 74 H HA 0.526 5.084 4.556 0.004 0.000 0.337 74 H C 0.982 176.247 175.328 -0.105 0.000 1.009 74 H CA -0.052 55.947 56.048 -0.082 0.000 1.231 74 H CB 1.640 31.384 29.762 -0.029 0.000 1.508 74 H HN 0.229 nan 8.280 nan 0.000 0.517 75 G N 2.146 110.928 108.800 -0.030 0.000 3.020 75 G HA2 -0.004 3.959 3.960 0.004 0.000 0.217 75 G HA3 -0.004 3.959 3.960 0.004 0.000 0.217 75 G C 0.523 175.419 174.900 -0.006 0.000 1.144 75 G CA 0.230 45.266 45.100 -0.107 0.000 0.760 75 G HN 0.583 nan 8.290 nan 0.000 0.548 76 T N -3.514 111.078 114.554 0.063 0.000 2.930 76 T HA 0.449 4.802 4.350 0.004 0.000 0.290 76 T C 1.423 176.133 174.700 0.017 0.000 1.052 76 T CA 0.370 62.507 62.100 0.061 0.000 1.017 76 T CB 1.544 70.485 68.868 0.122 0.000 1.137 76 T HN -0.003 nan 8.240 nan 0.000 0.511 77 T N -2.177 112.328 114.554 -0.083 0.000 2.951 77 T HA 0.081 4.433 4.350 0.004 0.000 0.268 77 T C -1.079 173.440 174.700 -0.302 0.000 1.073 77 T CA 0.632 62.539 62.100 -0.321 0.000 1.134 77 T CB -1.706 66.815 68.868 -0.579 0.000 0.884 77 T HN 0.428 nan 8.240 nan 0.000 0.479 78 P HA 0.015 nan 4.420 nan 0.000 0.215 78 P C 1.741 179.056 177.300 0.025 0.000 1.153 78 P CA 1.612 64.672 63.100 -0.066 0.000 0.853 78 P CB -0.306 31.360 31.700 -0.056 0.000 0.788 79 A N -1.182 121.656 122.820 0.030 0.000 1.903 79 A HA -0.053 4.269 4.320 0.004 0.000 0.213 79 A C 2.212 179.843 177.584 0.078 0.000 1.185 79 A CA 0.932 52.957 52.037 -0.019 0.000 0.628 79 A CB -1.421 17.467 19.000 -0.187 0.000 0.830 79 A HN 0.061 nan 8.150 nan 0.000 0.446 80 I N -1.147 119.493 120.570 0.116 0.000 2.226 80 I HA -0.231 3.941 4.170 0.004 0.000 0.245 80 I C 2.137 178.471 176.117 0.361 0.000 1.100 80 I CA 1.149 62.574 61.300 0.208 0.000 1.374 80 I CB -0.357 37.752 38.000 0.180 0.000 1.057 80 I HN 0.238 nan 8.210 nan 0.000 0.413 81 F N 0.019 120.047 119.950 0.131 0.000 2.161 81 F HA -0.267 4.262 4.527 0.004 0.000 0.300 81 F C 2.449 178.385 175.800 0.226 0.000 1.089 81 F CA 1.182 59.286 58.000 0.175 0.000 1.282 81 F CB -1.310 37.806 39.000 0.194 0.000 1.010 81 F HN 0.114 nan 8.300 nan 0.000 0.485 82 Y N 0.172 120.617 120.300 0.243 0.000 2.314 82 Y HA -0.094 4.458 4.550 0.004 0.000 0.293 82 Y C 2.110 178.085 175.900 0.126 0.000 1.129 82 Y CA 1.143 59.313 58.100 0.115 0.000 1.201 82 Y CB -0.400 38.072 38.460 0.021 0.000 0.999 82 Y HN -0.033 nan 8.280 nan 0.000 0.541 83 L N -0.773 120.547 121.223 0.161 0.000 2.093 83 L HA -0.214 4.128 4.340 0.004 0.000 0.208 83 L C 2.084 179.055 176.870 0.168 0.000 1.085 83 L CA 1.135 56.060 54.840 0.141 0.000 0.755 83 L CB -0.514 41.690 42.059 0.242 0.000 0.904 83 L HN 0.232 nan 8.230 nan 0.000 0.435 84 L N -2.336 118.965 121.223 0.130 0.000 2.341 84 L HA -0.036 4.306 4.340 0.004 0.000 0.214 84 L C 0.242 177.326 176.870 0.357 0.000 1.115 84 L CA 0.160 55.037 54.840 0.062 0.000 0.820 84 L CB 0.044 42.030 42.059 -0.121 0.000 0.944 84 L HN 0.311 nan 8.230 nan 0.000 0.452 85 W N 1.072 122.405 121.300 0.054 0.000 2.822 85 W HA 0.301 4.963 4.660 0.004 0.000 0.317 85 W C -0.518 175.968 176.519 -0.055 0.000 1.033 85 W CA -1.337 56.035 57.345 0.044 0.000 1.252 85 W CB 0.691 30.191 29.460 0.067 0.000 1.186 85 W HN -0.217 nan 8.180 nan 0.000 0.383 86 R N 4.654 125.074 120.500 -0.134 0.000 3.641 86 R HA 0.122 4.465 4.340 0.004 0.000 0.189 86 R C -0.221 175.842 176.300 -0.394 0.000 1.706 86 R CA 0.117 55.896 56.100 -0.535 0.000 1.311 86 R CB -0.625 29.468 30.300 -0.345 0.000 1.330 86 R HN 0.380 nan 8.270 nan 0.000 0.727 87 N N 0.515 118.960 118.700 -0.425 0.000 2.277 87 N HA 0.131 4.873 4.740 0.004 0.000 0.286 87 N C 0.460 175.926 175.510 -0.074 0.000 1.140 87 N CA -0.520 52.279 53.050 -0.418 0.000 0.799 87 N CB 2.035 39.726 38.487 -1.327 0.000 1.596 87 N HN 0.022 nan 8.380 nan 0.000 0.473 88 R N 1.615 122.119 120.500 0.008 0.000 2.115 88 R HA 0.057 4.399 4.340 0.004 0.000 0.230 88 R C 1.602 177.954 176.300 0.088 0.000 1.111 88 R CA 1.327 57.462 56.100 0.058 0.000 0.976 88 R CB -0.620 29.723 30.300 0.070 0.000 0.870 88 R HN 0.584 nan 8.270 nan 0.000 0.445 89 F N 0.318 120.187 119.950 -0.134 0.000 2.293 89 F HA 0.065 4.595 4.527 0.004 0.000 0.300 89 F C 1.885 177.708 175.800 0.038 0.000 1.086 89 F CA 0.869 58.848 58.000 -0.036 0.000 1.375 89 F CB -0.498 38.499 39.000 -0.005 0.000 1.045 89 F HN 0.111 nan 8.300 nan 0.000 0.516 90 A N 0.096 122.840 122.820 -0.127 0.000 1.933 90 A HA -0.209 4.113 4.320 0.004 0.000 0.218 90 A C 2.299 180.029 177.584 0.243 0.000 1.175 90 A CA 1.742 53.856 52.037 0.130 0.000 0.628 90 A CB -0.578 18.504 19.000 0.137 0.000 0.814 90 A HN 0.406 nan 8.150 nan 0.000 0.444 91 K N -0.576 119.895 120.400 0.118 0.000 2.097 91 K HA -0.027 4.296 4.320 0.004 0.000 0.205 91 K C 1.738 178.333 176.600 -0.007 0.000 1.050 91 K CA 1.457 57.765 56.287 0.034 0.000 0.938 91 K CB -0.315 32.135 32.500 -0.085 0.000 0.718 91 K HN 0.555 nan 8.250 nan 0.000 0.442 92 I N 0.975 121.538 120.570 -0.011 0.000 2.233 92 I HA -0.243 3.929 4.170 0.004 0.000 0.243 92 I C 2.134 178.286 176.117 0.058 0.000 1.093 92 I CA 1.027 62.313 61.300 -0.023 0.000 1.380 92 I CB -0.197 37.821 38.000 0.031 0.000 1.067 92 I HN 0.071 nan 8.210 nan 0.000 0.413 93 L N 0.552 121.814 121.223 0.065 0.000 2.131 93 L HA -0.137 4.206 4.340 0.004 0.000 0.210 93 L C 2.543 179.780 176.870 0.613 0.000 1.092 93 L CA 1.425 56.513 54.840 0.413 0.000 0.759 93 L CB -0.984 41.255 42.059 0.300 0.000 0.903 93 L HN 0.353 nan 8.230 nan 0.000 0.435 94 G N -0.861 108.131 108.800 0.320 0.000 2.509 94 G HA2 -0.119 3.844 3.960 0.004 0.000 0.218 94 G HA3 -0.119 3.844 3.960 0.004 0.000 0.218 94 G C 1.532 176.352 174.900 -0.134 0.000 1.124 94 G CA 0.440 45.483 45.100 -0.094 0.000 0.776 94 G HN 0.212 nan 8.290 nan 0.000 0.547 95 V N 0.322 120.128 119.914 -0.180 0.000 2.490 95 V HA -0.114 4.009 4.120 0.004 0.000 0.250 95 V C 2.367 178.213 176.094 -0.414 0.000 1.061 95 V CA 1.146 63.153 62.300 -0.487 0.000 1.064 95 V CB -0.642 30.625 31.823 -0.926 0.000 0.670 95 V HN 0.343 nan 8.190 nan 0.000 0.461 96 F N 1.489 121.373 119.950 -0.110 0.000 2.250 96 F HA -0.074 4.456 4.527 0.004 0.000 0.301 96 F C 2.322 177.795 175.800 -0.546 0.000 1.077 96 F CA 1.495 59.429 58.000 -0.111 0.000 1.348 96 F CB -0.893 38.074 39.000 -0.055 0.000 1.040 96 F HN 0.246 nan 8.300 nan 0.000 0.509 97 G N -0.911 107.548 108.800 -0.569 0.000 2.848 97 G HA2 0.043 4.006 3.960 0.004 0.000 0.208 97 G HA3 0.043 4.006 3.960 0.004 0.000 0.208 97 G C 1.400 176.196 174.900 -0.173 0.000 1.152 97 G CA 0.256 45.103 45.100 -0.422 0.000 0.789 97 G HN 0.351 nan 8.290 nan 0.000 0.531 98 L N -2.408 118.707 121.223 -0.179 0.000 2.577 98 L HA 0.285 4.627 4.340 0.004 0.000 0.225 98 L C 2.299 179.140 176.870 -0.049 0.000 1.053 98 L CA -0.227 54.525 54.840 -0.147 0.000 0.866 98 L CB -0.096 41.776 42.059 -0.310 0.000 1.132 98 L HN 0.330 nan 8.230 nan 0.000 0.486 99 W N 1.736 122.906 121.300 -0.217 0.000 2.378 99 W HA -0.107 4.555 4.660 0.004 0.000 0.313 99 W C 2.170 178.702 176.519 0.022 0.000 1.197 99 W CA 1.521 58.812 57.345 -0.090 0.000 1.304 99 W CB -0.148 29.276 29.460 -0.059 0.000 1.148 99 W HN -0.085 nan 8.180 nan 0.000 0.494 100 I N 1.887 122.507 120.570 0.083 0.000 2.091 100 I HA -0.302 3.870 4.170 0.004 0.000 0.239 100 I C -0.336 175.742 176.117 -0.065 0.000 1.061 100 I CA 1.853 63.100 61.300 -0.089 0.000 1.317 100 I CB -2.032 35.938 38.000 -0.050 0.000 1.031 100 I HN -0.053 nan 8.210 nan 0.000 0.401 101 P HA -0.169 nan 4.420 nan 0.000 0.220 101 P C 1.861 179.139 177.300 -0.037 0.000 1.148 101 P CA 1.354 64.477 63.100 0.039 0.000 0.803 101 P CB 0.040 31.756 31.700 0.028 0.000 0.782 102 L N -0.164 121.026 121.223 -0.056 0.000 2.023 102 L HA -0.087 4.255 4.340 0.004 0.000 0.205 102 L C 2.594 179.430 176.870 -0.056 0.000 1.073 102 L CA 1.542 56.363 54.840 -0.032 0.000 0.745 102 L CB -1.202 40.859 42.059 0.003 0.000 0.900 102 L HN -0.244 nan 8.230 nan 0.000 0.435 103 V N -1.224 118.577 119.914 -0.189 0.000 2.287 103 V HA -0.293 3.829 4.120 0.004 0.000 0.248 103 V C 2.463 178.555 176.094 -0.004 0.000 1.053 103 V CA 1.708 63.917 62.300 -0.151 0.000 1.027 103 V CB -0.640 30.893 31.823 -0.482 0.000 0.646 103 V HN 0.310 nan 8.190 nan 0.000 0.447 104 V N 0.412 120.290 119.914 -0.061 0.000 2.332 104 V HA -0.290 3.832 4.120 0.004 0.000 0.248 104 V C 2.751 178.593 176.094 -0.419 0.000 1.055 104 V CA 2.070 64.220 62.300 -0.249 0.000 1.038 104 V CB -1.286 30.543 31.823 0.009 0.000 0.651 104 V HN 0.566 nan 8.190 nan 0.000 0.450 105 A N 0.055 122.771 122.820 -0.174 0.000 1.892 105 A HA -0.244 4.078 4.320 0.004 0.000 0.218 105 A C 2.178 179.770 177.584 0.013 0.000 1.188 105 A CA 2.255 54.247 52.037 -0.076 0.000 0.631 105 A CB -0.664 18.326 19.000 -0.018 0.000 0.822 105 A HN 0.512 nan 8.150 nan 0.000 0.447 106 I N -1.120 119.480 120.570 0.049 0.000 2.194 106 I HA -0.353 3.820 4.170 0.004 0.000 0.246 106 I C 2.532 178.742 176.117 0.155 0.000 1.093 106 I CA 2.219 63.598 61.300 0.131 0.000 1.355 106 I CB -0.421 37.673 38.000 0.157 0.000 1.046 106 I HN 0.747 nan 8.210 nan 0.000 0.413 107 Y N -2.058 118.324 120.300 0.137 0.000 2.389 107 Y HA -0.019 4.534 4.550 0.004 0.000 0.292 107 Y C 2.364 178.341 175.900 0.127 0.000 1.117 107 Y CA 0.139 58.312 58.100 0.123 0.000 1.195 107 Y CB -1.275 37.260 38.460 0.126 0.000 1.076 107 Y HN 0.038 nan 8.280 nan 0.000 0.548 108 Y N 1.318 121.370 120.300 -0.414 0.000 2.165 108 Y HA -0.195 4.357 4.550 0.004 0.000 0.286 108 Y C 2.329 178.182 175.900 -0.078 0.000 1.155 108 Y CA 2.201 60.163 58.100 -0.230 0.000 1.164 108 Y CB -0.258 38.011 38.460 -0.318 0.000 0.978 108 Y HN 0.056 nan 8.280 nan 0.000 0.513 109 V N -0.701 119.327 119.914 0.191 0.000 2.515 109 V HA -0.285 3.837 4.120 0.004 0.000 0.250 109 V C 1.881 178.149 176.094 0.291 0.000 1.058 109 V CA 1.901 64.339 62.300 0.230 0.000 1.064 109 V CB -0.981 31.002 31.823 0.267 0.000 0.675 109 V HN 0.500 nan 8.190 nan 0.000 0.461 110 Y N 0.852 121.186 120.300 0.056 0.000 2.163 110 Y HA -0.155 4.397 4.550 0.004 0.000 0.288 110 Y C 2.237 177.741 175.900 -0.660 0.000 1.136 110 Y CA 1.319 59.323 58.100 -0.160 0.000 1.147 110 Y CB -0.385 37.876 38.460 -0.333 0.000 0.987 110 Y HN 0.202 nan 8.280 nan 0.000 0.509 111 I N 0.233 120.203 120.570 -1.001 0.000 2.264 111 I HA -0.321 3.851 4.170 0.004 0.000 0.248 111 I C 2.529 178.225 176.117 -0.701 0.000 1.111 111 I CA 1.938 62.320 61.300 -1.530 0.000 1.382 111 I CB -0.542 36.876 38.000 -0.970 0.000 1.060 111 I HN 0.301 nan 8.210 nan 0.000 0.418 112 E N 1.204 121.195 120.200 -0.348 0.000 2.085 112 E HA -0.271 4.082 4.350 0.004 0.000 0.194 112 E C 2.297 178.990 176.600 0.156 0.000 0.994 112 E CA 1.937 58.310 56.400 -0.044 0.000 0.801 112 E CB 0.004 29.713 29.700 0.016 0.000 0.743 112 E HN 0.563 nan 8.360 nan 0.000 0.453 113 S N -0.170 115.611 115.700 0.135 0.000 2.399 113 S HA -0.164 4.309 4.470 0.004 0.000 0.231 113 S C 1.700 176.501 174.600 0.335 0.000 1.022 113 S CA 0.977 59.341 58.200 0.274 0.000 0.983 113 S CB -0.729 62.743 63.200 0.452 0.000 0.803 113 S HN 0.415 nan 8.310 nan 0.000 0.480 114 W N 2.891 124.206 121.300 0.024 0.000 2.358 114 W HA -0.019 4.643 4.660 0.003 0.000 0.303 114 W C 3.115 179.643 176.519 0.015 0.000 1.208 114 W CA 1.428 58.737 57.345 -0.060 0.000 1.274 114 W CB -1.927 27.224 29.460 -0.515 0.000 1.138 114 W HN 0.628 nan 8.180 nan 0.000 0.515 115 T N -0.732 114.035 114.554 0.355 0.000 2.746 115 T HA -0.206 4.146 4.350 0.004 0.000 0.267 115 T C 1.970 176.818 174.700 0.247 0.000 1.039 115 T CA 1.479 63.774 62.100 0.324 0.000 1.142 115 T CB -0.849 68.195 68.868 0.293 0.000 0.866 115 T HN -0.035 nan 8.240 nan 0.000 0.444 116 L N 2.360 123.670 121.223 0.146 0.000 1.989 116 L HA 0.180 4.522 4.340 0.004 0.000 0.211 116 L C 2.797 179.747 176.870 0.132 0.000 1.071 116 L CA 2.276 57.040 54.840 -0.127 0.000 0.749 116 L CB -1.373 40.410 42.059 -0.460 0.000 0.890 116 L HN 0.412 nan 8.230 nan 0.000 0.431 117 G N -1.457 107.493 108.800 0.250 0.000 2.440 117 G HA2 -0.307 3.656 3.960 0.004 0.000 0.218 117 G HA3 -0.307 3.656 3.960 0.004 0.000 0.218 117 G C 1.440 176.640 174.900 0.499 0.000 1.154 117 G CA 0.934 46.297 45.100 0.438 0.000 0.767 117 G HN 0.400 nan 8.290 nan 0.000 0.552 118 F N 1.732 121.686 119.950 0.006 0.000 2.186 118 F HA 0.135 4.665 4.527 0.004 0.000 0.299 118 F C 2.962 178.882 175.800 0.200 0.000 1.090 118 F CA 0.510 58.464 58.000 -0.077 0.000 1.307 118 F CB -0.493 37.891 39.000 -1.027 0.000 1.019 118 F HN 0.246 nan 8.300 nan 0.000 0.489 119 A N 0.488 123.564 122.820 0.426 0.000 1.858 119 A HA -0.162 4.160 4.320 0.004 0.000 0.216 119 A C 2.296 180.255 177.584 0.625 0.000 1.190 119 A CA 1.753 54.159 52.037 0.614 0.000 0.617 119 A CB -1.114 18.197 19.000 0.518 0.000 0.827 119 A HN 0.336 nan 8.150 nan 0.000 0.443 120 I N -0.401 120.445 120.570 0.461 0.000 2.118 120 I HA -0.331 3.841 4.170 0.004 0.000 0.241 120 I C 2.512 178.798 176.117 0.281 0.000 1.070 120 I CA 1.978 63.498 61.300 0.366 0.000 1.327 120 I CB -0.343 37.922 38.000 0.441 0.000 1.034 120 I HN 0.308 nan 8.210 nan 0.000 0.405 121 K N 0.016 120.598 120.400 0.304 0.000 2.097 121 K HA -0.123 4.199 4.320 0.004 0.000 0.205 121 K C 2.042 178.704 176.600 0.103 0.000 1.050 121 K CA 1.393 57.758 56.287 0.130 0.000 0.938 121 K CB -0.189 32.383 32.500 0.119 0.000 0.718 121 K HN 0.134 nan 8.250 nan 0.000 0.442 122 F N 0.758 120.807 119.950 0.165 0.000 2.259 122 F HA -0.103 4.426 4.527 0.004 0.000 0.298 122 F C 2.048 177.941 175.800 0.155 0.000 1.088 122 F CA 0.504 58.628 58.000 0.207 0.000 1.358 122 F CB -0.244 38.999 39.000 0.404 0.000 1.040 122 F HN -0.047 nan 8.300 nan 0.000 0.505 123 L N -0.302 121.052 121.223 0.218 0.000 2.027 123 L HA -0.124 4.218 4.340 0.004 0.000 0.206 123 L C 1.966 178.801 176.870 -0.058 0.000 1.074 123 L CA 1.677 56.426 54.840 -0.153 0.000 0.745 123 L CB -0.733 41.049 42.059 -0.463 0.000 0.898 123 L HN -0.063 nan 8.230 nan 0.000 0.433 124 V N 0.367 120.268 119.914 -0.021 0.000 3.380 124 V HA 0.209 4.331 4.120 0.004 0.000 0.268 124 V C 1.710 177.773 176.094 -0.052 0.000 1.168 124 V CA 0.833 63.112 62.300 -0.036 0.000 1.156 124 V CB -1.076 30.730 31.823 -0.029 0.000 0.785 124 V HN 0.765 nan 8.190 nan 0.000 0.487 125 G N 0.722 109.486 108.800 -0.060 0.000 2.143 125 G HA2 -0.263 3.699 3.960 0.004 0.000 0.248 125 G HA3 -0.263 3.699 3.960 0.004 0.000 0.248 125 G C 0.179 174.973 174.900 -0.177 0.000 0.991 125 G CA 0.137 45.173 45.100 -0.107 0.000 0.689 125 G HN 0.499 nan 8.290 nan 0.000 0.522 126 L N 1.123 122.232 121.223 -0.190 0.000 2.480 126 L HA 0.482 4.824 4.340 0.004 0.000 0.243 126 L C 0.889 177.577 176.870 -0.304 0.000 1.315 126 L CA -0.526 54.198 54.840 -0.194 0.000 1.231 126 L CB 0.150 42.119 42.059 -0.151 0.000 1.444 126 L HN 0.310 nan 8.230 nan 0.000 0.409 127 V N -1.196 118.434 119.914 -0.474 0.000 3.074 127 V HA 0.744 4.867 4.120 0.004 0.000 0.314 127 V C -2.438 173.231 176.094 -0.709 0.000 1.117 127 V CA -2.226 59.535 62.300 -0.897 0.000 1.014 127 V CB 1.613 32.764 31.823 -1.120 0.000 1.057 127 V HN 0.149 nan 8.190 nan 0.000 0.438 128 P HA 0.353 nan 4.420 nan 0.000 0.271 128 P C -0.874 176.123 177.300 -0.505 0.000 1.218 128 P CA 0.020 62.697 63.100 -0.705 0.000 0.780 128 P CB 0.556 31.678 31.700 -0.964 0.000 0.901 129 E N 3.007 123.053 120.200 -0.256 0.000 2.102 129 E HA 0.331 4.684 4.350 0.004 0.000 0.263 129 E C -2.139 174.441 176.600 -0.033 0.000 0.894 129 E CA -1.777 54.558 56.400 -0.108 0.000 0.746 129 E CB 0.408 30.061 29.700 -0.079 0.000 1.129 129 E HN 0.382 nan 8.360 nan 0.000 0.416 130 P HA 0.122 nan 4.420 nan 0.000 0.271 130 P C -2.417 174.921 177.300 0.064 0.000 1.218 130 P CA -1.201 61.961 63.100 0.104 0.000 0.780 130 P CB -0.100 31.719 31.700 0.198 0.000 0.901 131 P HA 0.228 nan 4.420 nan 0.000 0.271 131 P C -2.198 175.126 177.300 0.041 0.000 1.216 131 P CA -0.827 62.295 63.100 0.037 0.000 0.776 131 P CB -0.642 31.077 31.700 0.032 0.000 0.881 136 D N 4.304 124.732 120.400 0.046 0.000 2.412 136 D HA 0.224 4.866 4.640 0.004 0.000 0.257 136 D C -0.522 175.831 176.300 0.088 0.000 1.217 136 D CA -1.607 52.427 54.000 0.057 0.000 0.897 136 D CB 1.341 42.169 40.800 0.047 0.000 1.132 136 D HN 0.074 nan 8.370 nan 0.000 0.493 137 P HA -0.173 nan 4.420 nan 0.000 0.215 137 P C 0.657 178.051 177.300 0.158 0.000 1.157 137 P CA 1.108 64.329 63.100 0.202 0.000 0.874 137 P CB 0.277 32.152 31.700 0.291 0.000 0.790 138 D N 0.001 120.463 120.400 0.103 0.000 2.178 138 D HA -0.104 4.539 4.640 0.004 0.000 0.201 138 D C 2.110 178.454 176.300 0.073 0.000 0.980 138 D CA 1.752 55.794 54.000 0.070 0.000 0.842 138 D CB -0.368 40.459 40.800 0.044 0.000 0.948 138 D HN 0.313 nan 8.370 nan 0.000 0.472 139 S N -0.016 115.729 115.700 0.075 0.000 2.481 139 S HA -0.007 4.466 4.470 0.004 0.000 0.231 139 S C 2.059 176.720 174.600 0.101 0.000 0.996 139 S CA 0.216 58.459 58.200 0.072 0.000 0.942 139 S CB -0.223 63.011 63.200 0.058 0.000 0.768 139 S HN 0.222 nan 8.310 nan 0.000 0.520 140 I N 0.405 121.051 120.570 0.127 0.000 2.731 140 I HA 0.119 4.291 4.170 0.004 0.000 0.260 140 I C 2.181 178.435 176.117 0.229 0.000 1.138 140 I CA 0.490 61.892 61.300 0.170 0.000 1.461 140 I CB -0.114 37.968 38.000 0.137 0.000 1.128 140 I HN 0.227 nan 8.210 nan 0.000 0.438 141 L N 0.341 121.669 121.223 0.174 0.000 2.131 141 L HA -0.088 4.254 4.340 0.004 0.000 0.206 141 L C 2.726 179.706 176.870 0.183 0.000 1.087 141 L CA 0.964 55.902 54.840 0.163 0.000 0.767 141 L CB -0.425 41.684 42.059 0.082 0.000 0.917 141 L HN 0.173 nan 8.230 nan 0.000 0.441 142 R N 0.398 120.970 120.500 0.120 0.000 2.083 142 R HA -0.165 4.178 4.340 0.004 0.000 0.237 142 R C -0.435 175.908 176.300 0.072 0.000 1.137 142 R CA 1.702 57.838 56.100 0.061 0.000 0.951 142 R CB -1.074 29.245 30.300 0.032 0.000 0.851 142 R HN 0.234 nan 8.270 nan 0.000 0.434 143 P HA -0.127 nan 4.420 nan 0.000 0.218 143 P C 0.622 177.906 177.300 -0.027 0.000 1.148 143 P CA 1.360 64.460 63.100 0.000 0.000 0.822 143 P CB -0.067 31.594 31.700 -0.065 0.000 0.784 144 F N -0.149 119.852 119.950 0.086 0.000 2.293 144 F HA 0.005 4.535 4.527 0.005 0.000 0.297 144 F C 2.404 178.338 175.800 0.224 0.000 1.089 144 F CA 1.055 59.160 58.000 0.175 0.000 1.377 144 F CB -0.429 38.675 39.000 0.173 0.000 1.051 144 F HN -0.186 nan 8.300 nan 0.000 0.511 145 K N 0.923 121.459 120.400 0.227 0.000 2.026 145 K HA -0.195 4.127 4.320 0.004 0.000 0.208 145 K C 1.780 178.306 176.600 -0.123 0.000 1.048 145 K CA 1.815 58.085 56.287 -0.028 0.000 0.929 145 K CB -0.144 32.223 32.500 -0.221 0.000 0.713 145 K HN 0.268 nan 8.250 nan 0.000 0.439 146 E N -0.298 119.878 120.200 -0.040 0.000 2.110 146 E HA -0.195 4.157 4.350 0.004 0.000 0.193 146 E C 1.820 178.495 176.600 0.125 0.000 0.988 146 E CA 1.110 57.521 56.400 0.018 0.000 0.804 146 E CB -0.189 29.521 29.700 0.017 0.000 0.745 146 E HN 0.300 nan 8.360 nan 0.000 0.458 147 F N 1.377 121.325 119.950 -0.004 0.000 2.102 147 F HA -0.201 4.329 4.527 0.004 0.000 0.298 147 F C 2.096 177.956 175.800 0.100 0.000 1.105 147 F CA 1.084 59.071 58.000 -0.022 0.000 1.239 147 F CB -0.168 38.759 39.000 -0.121 0.000 0.991 147 F HN 0.003 nan 8.300 nan 0.000 0.474 148 L N -0.499 120.942 121.223 0.364 0.000 2.027 148 L HA -0.212 4.131 4.340 0.004 0.000 0.206 148 L C 2.114 179.115 176.870 0.217 0.000 1.074 148 L CA 1.857 56.908 54.840 0.351 0.000 0.745 148 L CB -1.398 40.933 42.059 0.454 0.000 0.898 148 L HN 0.155 nan 8.230 nan 0.000 0.433 149 Y N -0.042 120.256 120.300 -0.003 0.000 2.224 149 Y HA -0.163 4.389 4.550 0.004 0.000 0.289 149 Y C 2.834 178.684 175.900 -0.084 0.000 1.146 149 Y CA 1.201 59.269 58.100 -0.054 0.000 1.182 149 Y CB -1.144 37.309 38.460 -0.011 0.000 0.983 149 Y HN 0.268 nan 8.280 nan 0.000 0.524 150 S N -1.268 114.478 115.700 0.075 0.000 2.406 150 S HA -0.180 4.293 4.470 0.004 0.000 0.228 150 S C 1.819 176.368 174.600 -0.085 0.000 1.020 150 S CA 0.845 59.029 58.200 -0.026 0.000 0.965 150 S CB -0.633 62.536 63.200 -0.052 0.000 0.798 150 S HN 0.545 nan 8.310 nan 0.000 0.488 151 Y N 2.846 122.991 120.300 -0.258 0.000 2.133 151 Y HA -0.082 4.471 4.550 0.004 0.000 0.287 151 Y C 2.002 177.727 175.900 -0.292 0.000 1.134 151 Y CA 1.740 59.671 58.100 -0.282 0.000 1.133 151 Y CB -0.215 38.047 38.460 -0.330 0.000 0.987 151 Y HN 0.329 nan 8.280 nan 0.000 0.502 152 I N -3.009 117.413 120.570 -0.247 0.000 3.226 152 I HA 0.357 4.529 4.170 0.004 0.000 0.277 152 I C 1.367 177.314 176.117 -0.283 0.000 1.243 152 I CA 0.808 61.867 61.300 -0.400 0.000 1.459 152 I CB -0.269 37.302 38.000 -0.714 0.000 1.093 152 I HN 0.265 nan 8.210 nan 0.000 0.453 153 G N 2.372 111.040 108.800 -0.220 0.000 2.303 153 G HA2 -0.184 3.778 3.960 0.004 0.000 0.260 153 G HA3 -0.184 3.778 3.960 0.004 0.000 0.260 153 G C 0.011 174.801 174.900 -0.183 0.000 1.106 153 G CA 0.058 45.059 45.100 -0.165 0.000 0.900 153 G HN 0.281 nan 8.290 nan 0.000 0.495 154 V N 1.005 120.760 119.914 -0.265 0.000 2.720 154 V HA 0.162 4.284 4.120 0.004 0.000 0.307 154 V C -0.860 175.120 176.094 -0.190 0.000 1.071 154 V CA -0.249 61.841 62.300 -0.350 0.000 1.199 154 V CB 0.599 31.935 31.823 -0.812 0.000 0.900 154 V HN 0.373 nan 8.190 nan 0.000 0.494 155 P HA 0.111 nan 4.420 nan 0.000 0.265 155 P C 0.174 177.445 177.300 -0.048 0.000 1.193 155 P CA 0.128 63.175 63.100 -0.088 0.000 0.765 155 P CB 0.338 31.980 31.700 -0.096 0.000 0.823 156 K N 1.282 121.671 120.400 -0.018 0.000 2.353 156 K HA 0.236 4.558 4.320 0.004 0.000 0.195 156 K C 1.168 177.774 176.600 0.010 0.000 1.031 156 K CA 0.106 56.400 56.287 0.012 0.000 1.079 156 K CB 0.618 33.130 32.500 0.020 0.000 0.857 156 K HN 0.581 nan 8.250 nan 0.000 0.535 157 G N 0.451 109.250 108.800 -0.002 0.000 3.340 157 G HA2 0.047 4.009 3.960 0.004 0.000 0.176 157 G HA3 0.047 4.009 3.960 0.004 0.000 0.176 157 G C -0.358 174.539 174.900 -0.006 0.000 1.103 157 G CA -0.264 44.837 45.100 0.003 0.000 0.779 157 G HN -0.085 nan 8.290 nan 0.000 0.673 158 D N 0.380 120.782 120.400 0.003 0.000 2.338 158 D HA 0.073 4.715 4.640 0.004 0.000 0.208 158 D C 0.259 176.552 176.300 -0.012 0.000 0.997 158 D CA 0.336 54.340 54.000 0.006 0.000 0.880 158 D CB 0.834 41.656 40.800 0.037 0.000 0.980 158 D HN 0.382 nan 8.370 nan 0.000 0.509 159 E N 2.310 122.506 120.200 -0.007 0.000 2.392 159 E HA 0.065 4.417 4.350 0.004 0.000 0.264 159 E C -1.935 174.613 176.600 -0.087 0.000 1.024 159 E CA -1.276 55.115 56.400 -0.016 0.000 0.903 159 E CB 0.929 30.635 29.700 0.011 0.000 0.963 159 E HN 0.033 nan 8.360 nan 0.000 0.432 160 P HA 0.171 nan 4.420 nan 0.000 0.228 160 P C -0.713 176.508 177.300 -0.133 0.000 1.764 160 P CA 0.173 63.139 63.100 -0.224 0.000 0.929 160 P CB 0.046 31.504 31.700 -0.403 0.000 1.675 161 I N 1.018 121.542 120.570 -0.076 0.000 2.404 161 I HA 0.325 4.497 4.170 0.004 0.000 0.293 161 I C 0.535 176.636 176.117 -0.027 0.000 0.992 161 I CA -1.241 60.045 61.300 -0.024 0.000 1.149 161 I CB 1.932 39.937 38.000 0.009 0.000 1.315 161 I HN -0.087 nan 8.210 nan 0.000 0.446 162 L N 6.003 127.219 121.223 -0.012 0.000 2.360 162 L HA 0.497 4.839 4.340 0.004 0.000 0.271 162 L C 0.515 177.377 176.870 -0.013 0.000 1.057 162 L CA -0.596 54.206 54.840 -0.064 0.000 0.803 162 L CB 1.008 42.987 42.059 -0.133 0.000 1.207 162 L HN 0.368 nan 8.230 nan 0.000 0.445 163 K N 3.119 123.479 120.400 -0.067 0.000 2.687 163 K HA 0.371 4.694 4.320 0.004 0.000 0.197 163 K C -2.637 173.887 176.600 -0.126 0.000 1.049 163 K CA -1.782 54.489 56.287 -0.027 0.000 1.030 163 K CB 1.321 33.831 32.500 0.016 0.000 1.261 163 K HN 0.166 nan 8.250 nan 0.000 0.565 164 P HA -0.020 nan 4.420 nan 0.000 0.268 164 P C 0.008 177.206 177.300 -0.171 0.000 1.205 164 P CA 0.089 63.033 63.100 -0.259 0.000 0.771 164 P CB 0.565 32.074 31.700 -0.318 0.000 0.858 165 S N 2.496 118.074 115.700 -0.202 0.000 2.572 165 S HA -0.028 4.445 4.470 0.004 0.000 0.267 165 S C 1.204 175.775 174.600 -0.049 0.000 1.361 165 S CA -0.451 57.679 58.200 -0.117 0.000 1.009 165 S CB -0.023 63.102 63.200 -0.125 0.000 0.888 165 S HN 0.381 nan 8.310 nan 0.000 0.553 166 L N 1.128 122.365 121.223 0.023 0.000 2.079 166 L HA 0.038 4.381 4.340 0.004 0.000 0.210 166 L C 2.018 178.976 176.870 0.146 0.000 1.081 166 L CA 1.768 56.660 54.840 0.086 0.000 0.752 166 L CB -1.174 40.934 42.059 0.081 0.000 0.896 166 L HN 0.828 nan 8.230 nan 0.000 0.433 167 F N 0.478 120.414 119.950 -0.024 0.000 2.095 167 F HA -0.207 4.322 4.527 0.004 0.000 0.298 167 F C 2.357 178.136 175.800 -0.036 0.000 1.104 167 F CA 1.646 59.643 58.000 -0.004 0.000 1.232 167 F CB -0.821 38.177 39.000 -0.003 0.000 0.987 167 F HN 0.150 nan 8.300 nan 0.000 0.475 168 A N -0.908 121.721 122.820 -0.318 0.000 1.978 168 A HA -0.279 4.043 4.320 0.004 0.000 0.220 168 A C 2.138 179.652 177.584 -0.117 0.000 1.170 168 A CA 1.877 53.570 52.037 -0.573 0.000 0.636 168 A CB -1.619 16.772 19.000 -1.015 0.000 0.810 168 A HN 0.639 nan 8.150 nan 0.000 0.448 169 Y N 0.095 120.325 120.300 -0.116 0.000 2.184 169 Y HA -0.070 4.483 4.550 0.004 0.000 0.290 169 Y C 2.015 177.984 175.900 0.115 0.000 1.129 169 Y CA 1.713 59.831 58.100 0.030 0.000 1.144 169 Y CB -0.165 38.317 38.460 0.038 0.000 0.995 169 Y HN 0.249 nan 8.280 nan 0.000 0.513 170 I N -1.130 119.518 120.570 0.130 0.000 2.315 170 I HA -0.267 3.905 4.170 0.004 0.000 0.248 170 I C 2.125 178.202 176.117 -0.068 0.000 1.117 170 I CA 0.924 62.251 61.300 0.045 0.000 1.404 170 I CB -0.456 37.585 38.000 0.068 0.000 1.071 170 I HN 0.054 nan 8.210 nan 0.000 0.419 171 V N 0.652 120.458 119.914 -0.180 0.000 2.407 171 V HA -0.295 3.827 4.120 0.004 0.000 0.248 171 V C 2.296 178.408 176.094 0.030 0.000 1.055 171 V CA 1.834 64.039 62.300 -0.158 0.000 1.049 171 V CB -0.735 30.906 31.823 -0.303 0.000 0.662 171 V HN 0.371 nan 8.190 nan 0.000 0.455 172 F N 0.561 120.483 119.950 -0.046 0.000 2.095 172 F HA -0.198 4.331 4.527 0.004 0.000 0.298 172 F C 2.045 177.847 175.800 0.004 0.000 1.104 172 F CA 1.635 59.642 58.000 0.013 0.000 1.232 172 F CB -0.419 38.563 39.000 -0.030 0.000 0.987 172 F HN 0.031 nan 8.300 nan 0.000 0.475 173 L N -0.063 121.072 121.223 -0.146 0.000 2.013 173 L HA -0.285 4.057 4.340 0.004 0.000 0.212 173 L C 2.515 179.304 176.870 -0.136 0.000 1.073 173 L CA 1.813 56.541 54.840 -0.187 0.000 0.753 173 L CB -0.745 41.259 42.059 -0.091 0.000 0.890 173 L HN 0.172 nan 8.230 nan 0.000 0.432 174 I N -0.878 119.657 120.570 -0.059 0.000 2.163 174 I HA -0.306 3.867 4.170 0.004 0.000 0.243 174 I C 2.481 178.642 176.117 0.072 0.000 1.085 174 I CA 1.650 62.971 61.300 0.034 0.000 1.347 174 I CB -0.600 37.413 38.000 0.022 0.000 1.044 174 I HN 0.271 nan 8.210 nan 0.000 0.408 175 T N 0.721 115.278 114.554 0.005 0.000 2.720 175 T HA -0.177 4.175 4.350 0.004 0.000 0.268 175 T C 1.950 176.614 174.700 -0.060 0.000 1.037 175 T CA 1.268 63.401 62.100 0.054 0.000 1.144 175 T CB -0.122 68.809 68.868 0.106 0.000 0.864 175 T HN 0.155 nan 8.240 nan 0.000 0.444 176 M N 0.534 119.993 119.600 -0.235 0.000 2.086 176 M HA 0.025 4.508 4.480 0.004 0.000 0.261 176 M C 2.133 178.370 176.300 -0.104 0.000 1.067 176 M CA 1.343 56.507 55.300 -0.227 0.000 1.116 176 M CB -1.384 31.012 32.600 -0.339 0.000 1.348 176 M HN 0.290 nan 8.290 nan 0.000 0.407 177 F N 1.293 121.137 119.950 -0.177 0.000 2.120 177 F HA -0.211 4.318 4.527 0.004 0.000 0.300 177 F C 2.130 177.873 175.800 -0.097 0.000 1.095 177 F CA 1.524 59.446 58.000 -0.130 0.000 1.249 177 F CB -0.420 38.514 39.000 -0.110 0.000 0.995 177 F HN 0.038 nan 8.300 nan 0.000 0.480 178 I N 0.376 120.838 120.570 -0.180 0.000 2.179 178 I HA -0.338 3.834 4.170 0.004 0.000 0.242 178 I C 2.321 178.241 176.117 -0.327 0.000 1.088 178 I CA 1.430 62.577 61.300 -0.256 0.000 1.357 178 I CB -0.729 37.292 38.000 0.036 0.000 1.051 178 I HN 0.225 nan 8.210 nan 0.000 0.409 179 N N 0.621 119.180 118.700 -0.234 0.000 2.104 179 N HA -0.158 4.584 4.740 0.004 0.000 0.190 179 N C 1.980 177.338 175.510 -0.254 0.000 1.024 179 N CA 1.436 54.343 53.050 -0.239 0.000 0.853 179 N CB -0.149 38.248 38.487 -0.151 0.000 1.008 179 N HN 0.162 nan 8.380 nan 0.000 0.424 180 V N 1.764 121.525 119.914 -0.256 0.000 2.295 180 V HA -0.230 3.892 4.120 0.004 0.000 0.246 180 V C 2.568 178.477 176.094 -0.308 0.000 1.049 180 V CA 2.079 64.234 62.300 -0.240 0.000 1.024 180 V CB -0.728 30.976 31.823 -0.200 0.000 0.648 180 V HN 0.442 nan 8.190 nan 0.000 0.447 181 S N -0.057 115.358 115.700 -0.474 0.000 2.399 181 S HA -0.149 4.323 4.470 0.004 0.000 0.231 181 S C 1.908 176.323 174.600 -0.308 0.000 1.022 181 S CA 1.668 59.603 58.200 -0.443 0.000 0.983 181 S CB -0.628 62.190 63.200 -0.636 0.000 0.803 181 S HN 0.554 nan 8.310 nan 0.000 0.480 182 I N 1.194 121.563 120.570 -0.334 0.000 2.233 182 I HA -0.084 4.089 4.170 0.004 0.000 0.243 182 I C 2.406 178.392 176.117 -0.219 0.000 1.093 182 I CA 1.132 62.254 61.300 -0.296 0.000 1.380 182 I CB -0.344 37.393 38.000 -0.438 0.000 1.067 182 I HN 0.245 nan 8.210 nan 0.000 0.413 183 L N 0.119 121.217 121.223 -0.208 0.000 2.156 183 L HA -0.145 4.197 4.340 0.004 0.000 0.208 183 L C 2.439 179.217 176.870 -0.153 0.000 1.095 183 L CA 1.070 55.813 54.840 -0.162 0.000 0.770 183 L CB -0.213 41.771 42.059 -0.125 0.000 0.914 183 L HN 0.245 nan 8.230 nan 0.000 0.439 184 I N -0.325 120.152 120.570 -0.155 0.000 2.830 184 I HA -0.219 3.953 4.170 0.004 0.000 0.263 184 I C 2.210 178.247 176.117 -0.134 0.000 1.230 184 I CA 0.958 62.178 61.300 -0.134 0.000 1.480 184 I CB 0.025 37.947 38.000 -0.130 0.000 1.095 184 I HN 0.189 nan 8.210 nan 0.000 0.455 185 R N 0.519 120.933 120.500 -0.143 0.000 2.297 185 R HA 0.231 4.573 4.340 0.004 0.000 0.197 185 R C 0.949 177.153 176.300 -0.159 0.000 0.943 185 R CA 0.482 56.503 56.100 -0.131 0.000 1.038 185 R CB 0.164 30.397 30.300 -0.112 0.000 0.957 185 R HN 0.480 nan 8.270 nan 0.000 0.484 186 G N 0.764 109.447 108.800 -0.195 0.000 2.545 186 G HA2 -0.241 3.721 3.960 0.004 0.000 0.216 186 G HA3 -0.241 3.721 3.960 0.004 0.000 0.216 186 G C 0.322 175.008 174.900 -0.356 0.000 1.314 186 G CA -0.448 44.489 45.100 -0.272 0.000 0.906 186 G HN -0.044 nan 8.290 nan 0.000 0.563 187 I N 1.356 121.611 120.570 -0.524 0.000 2.206 187 I HA -0.012 4.160 4.170 0.004 0.000 0.239 187 I C 3.214 179.041 176.117 -0.484 0.000 1.078 187 I CA 2.807 63.652 61.300 -0.758 0.000 1.367 187 I CB -1.747 35.464 38.000 -1.315 0.000 1.078 187 I HN 0.841 nan 8.210 nan 0.000 0.413 188 S N 1.101 116.592 115.700 -0.349 0.000 2.362 188 S HA -0.081 4.391 4.470 0.004 0.000 0.221 188 S C 1.867 176.421 174.600 -0.076 0.000 1.032 188 S CA 0.640 58.755 58.200 -0.142 0.000 0.973 188 S CB -0.436 62.707 63.200 -0.095 0.000 0.849 188 S HN 0.364 nan 8.310 nan 0.000 0.465 189 K N 1.123 121.461 120.400 -0.103 0.000 2.365 189 K HA 0.196 4.518 4.320 0.004 0.000 0.197 189 K C 1.896 178.461 176.600 -0.057 0.000 1.042 189 K CA 0.686 56.935 56.287 -0.064 0.000 0.987 189 K CB -0.086 32.372 32.500 -0.070 0.000 0.779 189 K HN 0.532 nan 8.250 nan 0.000 0.484 190 G N 0.873 109.617 108.800 -0.093 0.000 2.687 190 G HA2 0.017 3.979 3.960 0.004 0.000 0.222 190 G HA3 0.017 3.979 3.960 0.004 0.000 0.222 190 G C 1.337 176.217 174.900 -0.033 0.000 1.445 190 G CA -0.260 44.787 45.100 -0.087 0.000 0.836 190 G HN -0.029 nan 8.290 nan 0.000 0.598 191 I N 0.735 121.261 120.570 -0.072 0.000 2.179 191 I HA -0.101 4.071 4.170 0.004 0.000 0.242 191 I C 2.683 178.882 176.117 0.136 0.000 1.088 191 I CA 1.455 62.767 61.300 0.019 0.000 1.357 191 I CB -0.177 37.775 38.000 -0.081 0.000 1.051 191 I HN 0.304 nan 8.210 nan 0.000 0.409 192 E N 1.095 121.383 120.200 0.146 0.000 2.031 192 E HA -0.227 4.126 4.350 0.004 0.000 0.193 192 E C 2.442 179.109 176.600 0.110 0.000 0.994 192 E CA 1.161 57.682 56.400 0.202 0.000 0.800 192 E CB 0.076 29.931 29.700 0.258 0.000 0.752 192 E HN 0.312 nan 8.360 nan 0.000 0.447 193 R N -0.371 120.179 120.500 0.083 0.000 2.080 193 R HA -0.179 4.163 4.340 0.004 0.000 0.236 193 R C 2.388 178.737 176.300 0.082 0.000 1.137 193 R CA 1.621 57.762 56.100 0.069 0.000 0.943 193 R CB -0.605 29.730 30.300 0.057 0.000 0.846 193 R HN 0.250 nan 8.270 nan 0.000 0.431 194 F N 1.460 121.387 119.950 -0.037 0.000 2.126 194 F HA -0.184 4.345 4.527 0.004 0.000 0.299 194 F C 2.304 178.061 175.800 -0.071 0.000 1.096 194 F CA 1.345 59.300 58.000 -0.073 0.000 1.255 194 F CB -0.409 38.514 39.000 -0.128 0.000 0.997 194 F HN 0.012 nan 8.300 nan 0.000 0.479 195 A N 0.075 122.872 122.820 -0.037 0.000 1.940 195 A HA -0.243 4.079 4.320 0.004 0.000 0.219 195 A C 2.248 179.752 177.584 -0.133 0.000 1.176 195 A CA 1.974 53.949 52.037 -0.103 0.000 0.631 195 A CB -0.706 18.307 19.000 0.021 0.000 0.814 195 A HN 0.479 nan 8.150 nan 0.000 0.446 196 K N -0.749 119.603 120.400 -0.079 0.000 2.148 196 K HA 0.010 4.333 4.320 0.004 0.000 0.204 196 K C 1.644 178.203 176.600 -0.069 0.000 1.050 196 K CA 1.352 57.609 56.287 -0.051 0.000 0.942 196 K CB -0.249 32.245 32.500 -0.010 0.000 0.724 196 K HN 0.581 nan 8.250 nan 0.000 0.446 197 I N 0.254 120.743 120.570 -0.135 0.000 2.333 197 I HA -0.152 4.020 4.170 0.004 0.000 0.246 197 I C 2.369 178.396 176.117 -0.150 0.000 1.106 197 I CA 0.830 62.060 61.300 -0.118 0.000 1.411 197 I CB -0.168 37.763 38.000 -0.115 0.000 1.082 197 I HN 0.064 nan 8.210 nan 0.000 0.420 198 A N 0.699 123.244 122.820 -0.458 0.000 1.898 198 A HA -0.090 4.232 4.320 0.004 0.000 0.214 198 A C 2.316 179.883 177.584 -0.029 0.000 1.183 198 A CA 1.075 52.852 52.037 -0.434 0.000 0.622 198 A CB -0.303 17.969 19.000 -1.213 0.000 0.824 198 A HN 0.200 nan 8.150 nan 0.000 0.444 199 M N -0.397 119.168 119.600 -0.057 0.000 2.099 199 M HA -0.040 4.442 4.480 0.004 0.000 0.262 199 M C -0.455 175.917 176.300 0.121 0.000 1.067 199 M CA 1.349 56.676 55.300 0.044 0.000 1.124 199 M CB -2.484 30.119 32.600 0.005 0.000 1.353 199 M HN 0.141 nan 8.290 nan 0.000 0.410 200 P HA -0.072 nan 4.420 nan 0.000 0.216 200 P C 1.513 178.937 177.300 0.206 0.000 1.153 200 P CA 1.470 64.665 63.100 0.159 0.000 0.848 200 P CB -0.346 31.412 31.700 0.097 0.000 0.787 201 T N 0.343 114.998 114.554 0.168 0.000 2.652 201 T HA -0.169 4.183 4.350 0.004 0.000 0.267 201 T C 1.765 176.547 174.700 0.137 0.000 1.039 201 T CA 1.076 63.265 62.100 0.148 0.000 1.153 201 T CB -1.097 67.889 68.868 0.198 0.000 0.863 201 T HN 0.057 nan 8.240 nan 0.000 0.428 202 L N 0.144 121.488 121.223 0.201 0.000 2.012 202 L HA -0.105 4.237 4.340 0.004 0.000 0.210 202 L C 2.297 179.268 176.870 0.169 0.000 1.073 202 L CA 1.733 56.673 54.840 0.167 0.000 0.748 202 L CB -0.404 41.783 42.059 0.213 0.000 0.891 202 L HN 0.250 nan 8.230 nan 0.000 0.431 203 F N 0.486 120.489 119.950 0.087 0.000 2.102 203 F HA -0.244 4.285 4.527 0.004 0.000 0.298 203 F C 2.057 177.901 175.800 0.073 0.000 1.105 203 F CA 1.898 59.952 58.000 0.090 0.000 1.239 203 F CB -0.298 38.745 39.000 0.071 0.000 0.991 203 F HN 0.019 nan 8.300 nan 0.000 0.474 204 I N 0.100 120.611 120.570 -0.099 0.000 2.179 204 I HA -0.315 3.857 4.170 0.004 0.000 0.242 204 I C 2.391 178.427 176.117 -0.135 0.000 1.088 204 I CA 1.273 62.456 61.300 -0.196 0.000 1.357 204 I CB -0.579 37.405 38.000 -0.026 0.000 1.051 204 I HN 0.186 nan 8.210 nan 0.000 0.409 205 L N 0.474 121.651 121.223 -0.076 0.000 2.042 205 L HA -0.238 4.105 4.340 0.004 0.000 0.210 205 L C 2.822 179.674 176.870 -0.030 0.000 1.076 205 L CA 1.489 56.294 54.840 -0.059 0.000 0.749 205 L CB -0.770 41.237 42.059 -0.088 0.000 0.893 205 L HN 0.263 nan 8.230 nan 0.000 0.432 206 A N -0.456 122.321 122.820 -0.072 0.000 1.898 206 A HA -0.120 4.203 4.320 0.004 0.000 0.216 206 A C 2.338 179.883 177.584 -0.065 0.000 1.181 206 A CA 1.558 53.579 52.037 -0.028 0.000 0.620 206 A CB -0.787 18.278 19.000 0.108 0.000 0.819 206 A HN 0.169 nan 8.150 nan 0.000 0.442 207 V N -1.083 118.709 119.914 -0.203 0.000 2.287 207 V HA -0.265 3.857 4.120 0.004 0.000 0.248 207 V C 2.283 178.293 176.094 -0.141 0.000 1.053 207 V CA 2.244 64.396 62.300 -0.247 0.000 1.027 207 V CB -0.988 30.570 31.823 -0.440 0.000 0.646 207 V HN 0.613 nan 8.190 nan 0.000 0.447 208 F N 0.338 120.166 119.950 -0.203 0.000 2.095 208 F HA -0.218 4.312 4.527 0.005 0.000 0.298 208 F C 2.051 177.765 175.800 -0.143 0.000 1.104 208 F CA 1.784 59.694 58.000 -0.149 0.000 1.232 208 F CB -0.296 38.633 39.000 -0.118 0.000 0.987 208 F HN 0.029 nan 8.300 nan 0.000 0.475 209 L N -0.970 120.204 121.223 -0.082 0.000 2.093 209 L HA -0.211 4.131 4.340 0.004 0.000 0.208 209 L C 2.356 179.101 176.870 -0.208 0.000 1.085 209 L CA 0.843 55.593 54.840 -0.150 0.000 0.755 209 L CB -0.791 41.276 42.059 0.013 0.000 0.904 209 L HN -0.013 nan 8.230 nan 0.000 0.435 210 V N 0.173 119.948 119.914 -0.232 0.000 2.343 210 V HA -0.306 3.816 4.120 0.004 0.000 0.247 210 V C 2.303 178.009 176.094 -0.647 0.000 1.051 210 V CA 1.925 63.969 62.300 -0.428 0.000 1.036 210 V CB -0.333 31.214 31.823 -0.461 0.000 0.654 210 V HN 0.317 nan 8.190 nan 0.000 0.451 211 I N -0.375 119.903 120.570 -0.486 0.000 2.179 211 I HA -0.248 3.925 4.170 0.004 0.000 0.242 211 I C 2.724 178.684 176.117 -0.263 0.000 1.088 211 I CA 1.632 62.716 61.300 -0.360 0.000 1.357 211 I CB -0.391 37.438 38.000 -0.284 0.000 1.051 211 I HN 0.212 nan 8.210 nan 0.000 0.409 212 R N 0.960 121.224 120.500 -0.393 0.000 2.091 212 R HA -0.128 4.215 4.340 0.004 0.000 0.238 212 R C 2.078 178.319 176.300 -0.099 0.000 1.136 212 R CA 1.634 57.543 56.100 -0.318 0.000 0.959 212 R CB -0.854 29.146 30.300 -0.499 0.000 0.856 212 R HN 0.164 nan 8.270 nan 0.000 0.437 213 V N 0.337 120.224 119.914 -0.045 0.000 2.407 213 V HA -0.191 3.931 4.120 0.004 0.000 0.248 213 V C 1.927 178.175 176.094 0.257 0.000 1.055 213 V CA 1.537 63.906 62.300 0.115 0.000 1.049 213 V CB -0.653 31.236 31.823 0.109 0.000 0.662 213 V HN 0.200 nan 8.190 nan 0.000 0.455 214 F N -0.077 119.861 119.950 -0.020 0.000 2.269 214 F HA -0.043 4.488 4.527 0.007 0.000 0.301 214 F C 1.837 177.628 175.800 -0.015 0.000 1.082 214 F CA 0.817 58.810 58.000 -0.011 0.000 1.360 214 F CB -0.718 38.271 39.000 -0.020 0.000 1.041 214 F HN 0.142 nan 8.300 nan 0.000 0.512 215 L N -0.405 120.912 121.223 0.156 0.000 2.612 215 L HA 0.078 4.420 4.340 0.004 0.000 0.230 215 L C 0.292 177.198 176.870 0.060 0.000 1.140 215 L CA -0.018 54.865 54.840 0.071 0.000 0.896 215 L CB -0.446 41.628 42.059 0.026 0.000 1.065 215 L HN -0.121 nan 8.230 nan 0.000 0.447 216 L N 0.617 121.896 121.223 0.094 0.000 2.326 216 L HA 0.372 4.715 4.340 0.004 0.000 0.278 216 L C 0.025 176.912 176.870 0.029 0.000 1.092 216 L CA 0.138 55.044 54.840 0.110 0.000 0.810 216 L CB 1.231 43.424 42.059 0.224 0.000 1.153 216 L HN 0.097 nan 8.230 nan 0.000 0.439 217 E N 1.576 121.745 120.200 -0.052 0.000 2.335 217 E HA 0.432 4.785 4.350 0.004 0.000 0.280 217 E C -1.429 175.002 176.600 -0.282 0.000 0.918 217 E CA -0.386 55.932 56.400 -0.136 0.000 0.765 217 E CB 2.435 32.080 29.700 -0.091 0.000 1.218 217 E HN 0.701 nan 8.360 nan 0.000 0.425 218 T N -0.150 114.198 114.554 -0.343 0.000 2.804 218 T HA 0.489 4.841 4.350 0.004 0.000 0.290 218 T C -2.219 172.330 174.700 -0.252 0.000 1.099 218 T CA -1.466 60.387 62.100 -0.412 0.000 1.011 218 T CB 1.295 69.745 68.868 -0.698 0.000 1.291 218 T HN 0.162 nan 8.240 nan 0.000 0.523 219 P HA 0.038 nan 4.420 nan 0.000 0.221 219 P C 1.090 178.310 177.300 -0.133 0.000 1.145 219 P CA 0.682 63.694 63.100 -0.147 0.000 0.795 219 P CB 0.001 31.626 31.700 -0.125 0.000 0.775 220 N N -0.932 117.666 118.700 -0.169 0.000 2.376 220 N HA 0.080 4.822 4.740 0.004 0.000 0.177 220 N C 1.173 176.621 175.510 -0.104 0.000 1.024 220 N CA 1.242 54.217 53.050 -0.125 0.000 0.893 220 N CB 0.290 38.698 38.487 -0.131 0.000 0.980 220 N HN 0.184 nan 8.380 nan 0.000 0.439 221 G N -0.983 107.740 108.800 -0.128 0.000 2.324 221 G HA2 0.238 4.200 3.960 0.004 0.000 0.293 221 G HA3 0.238 4.200 3.960 0.004 0.000 0.293 221 G C -1.093 173.751 174.900 -0.094 0.000 1.297 221 G CA -0.224 44.821 45.100 -0.091 0.000 0.853 221 G HN 0.155 nan 8.290 nan 0.000 0.535 222 T N -2.661 111.856 114.554 -0.062 0.000 2.927 222 T HA 0.717 5.069 4.350 0.004 0.000 0.286 222 T C 1.639 176.325 174.700 -0.025 0.000 1.040 222 T CA 0.782 62.852 62.100 -0.050 0.000 1.010 222 T CB 1.590 70.423 68.868 -0.059 0.000 1.177 222 T HN 1.899 nan 8.240 nan 0.000 0.546 223 A N 0.289 123.099 122.820 -0.017 0.000 2.015 223 A HA 0.303 4.625 4.320 0.004 0.000 0.219 223 A C 2.510 180.054 177.584 -0.067 0.000 1.163 223 A CA 1.606 53.642 52.037 -0.000 0.000 0.646 223 A CB -1.461 17.569 19.000 0.049 0.000 0.806 223 A HN 1.254 nan 8.150 nan 0.000 0.448 224 A N 0.120 122.865 122.820 -0.125 0.000 2.015 224 A HA -0.136 4.186 4.320 0.004 0.000 0.219 224 A C 1.621 179.186 177.584 -0.032 0.000 1.163 224 A CA 1.606 53.565 52.037 -0.131 0.000 0.646 224 A CB -0.420 18.495 19.000 -0.142 0.000 0.806 224 A HN 0.469 nan 8.150 nan 0.000 0.448 225 D N -0.081 120.312 120.400 -0.012 0.000 2.219 225 D HA -0.083 4.559 4.640 0.004 0.000 0.205 225 D C 1.982 178.327 176.300 0.076 0.000 0.970 225 D CA 1.358 55.371 54.000 0.023 0.000 0.851 225 D CB -0.518 40.280 40.800 -0.003 0.000 0.943 225 D HN 0.463 nan 8.370 nan 0.000 0.488 226 G N 0.735 109.579 108.800 0.073 0.000 2.403 226 G HA2 -0.137 3.825 3.960 0.004 0.000 0.216 226 G HA3 -0.137 3.825 3.960 0.004 0.000 0.216 226 G C 1.794 176.815 174.900 0.201 0.000 1.154 226 G CA 0.074 45.256 45.100 0.136 0.000 0.784 226 G HN 0.230 nan 8.290 nan 0.000 0.538 227 L N 0.588 121.908 121.223 0.162 0.000 2.093 227 L HA -0.022 4.320 4.340 0.004 0.000 0.208 227 L C 2.617 179.653 176.870 0.276 0.000 1.085 227 L CA 0.634 55.629 54.840 0.257 0.000 0.755 227 L CB -0.333 41.814 42.059 0.148 0.000 0.904 227 L HN 0.104 nan 8.230 nan 0.000 0.435 228 N N 0.011 118.813 118.700 0.169 0.000 2.188 228 N HA -0.201 4.541 4.740 0.004 0.000 0.184 228 N C 1.730 177.324 175.510 0.139 0.000 1.018 228 N CA 1.194 54.330 53.050 0.143 0.000 0.858 228 N CB -0.370 38.171 38.487 0.091 0.000 0.989 228 N HN 0.235 nan 8.380 nan 0.000 0.426 229 F N 1.315 121.268 119.950 0.005 0.000 2.171 229 F HA -0.060 4.468 4.527 0.001 0.000 0.300 229 F C 1.996 177.741 175.800 -0.092 0.000 1.090 229 F CA 0.785 58.759 58.000 -0.043 0.000 1.293 229 F CB -0.236 38.731 39.000 -0.055 0.000 1.013 229 F HN -0.053 nan 8.300 nan 0.000 0.486 230 L N -1.526 119.542 121.223 -0.259 0.000 2.209 230 L HA 0.010 4.352 4.340 0.004 0.000 0.207 230 L C 0.713 177.207 176.870 -0.626 0.000 1.094 230 L CA 1.285 55.790 54.840 -0.557 0.000 0.790 230 L CB -0.410 41.394 42.059 -0.425 0.000 0.932 230 L HN 0.200 nan 8.230 nan 0.000 0.447 231 W N -0.927 120.304 121.300 -0.115 0.000 2.926 231 W HA 0.345 5.006 4.660 0.001 0.000 0.419 231 W C 0.057 176.522 176.519 -0.091 0.000 0.993 231 W CA -0.362 56.937 57.345 -0.078 0.000 2.025 231 W CB 0.321 29.766 29.460 -0.026 0.000 1.152 231 W HN -0.222 nan 8.180 nan 0.000 0.659 232 T N 1.980 116.527 114.554 -0.012 0.000 2.791 232 T HA 0.296 4.649 4.350 0.004 0.000 0.288 232 T C -2.465 172.128 174.700 -0.179 0.000 0.999 232 T CA -1.604 60.465 62.100 -0.051 0.000 0.952 232 T CB 1.552 70.404 68.868 -0.027 0.000 0.938 232 T HN -0.416 nan 8.240 nan 0.000 0.444 233 P HA 0.324 nan 4.420 nan 0.000 0.271 233 P C -0.766 176.193 177.300 -0.568 0.000 1.218 233 P CA -0.367 62.449 63.100 -0.473 0.000 0.780 233 P CB 0.545 31.827 31.700 -0.696 0.000 0.901 234 D N 1.405 121.481 120.400 -0.540 0.000 2.440 234 D HA 0.222 4.864 4.640 0.004 0.000 0.252 234 D C -0.159 175.950 176.300 -0.317 0.000 1.180 234 D CA -0.470 53.310 54.000 -0.365 0.000 0.894 234 D CB 0.246 40.936 40.800 -0.183 0.000 1.111 234 D HN 0.058 nan 8.370 nan 0.000 0.544 235 F N 1.420 121.381 119.950 0.017 0.000 2.661 235 F HA 0.121 4.649 4.527 0.001 0.000 0.298 235 F C 2.077 177.905 175.800 0.048 0.000 1.137 235 F CA 0.353 58.374 58.000 0.035 0.000 1.454 235 F CB -0.004 39.020 39.000 0.041 0.000 1.103 235 F HN 0.401 nan 8.300 nan 0.000 0.577 236 E N 0.211 120.510 120.200 0.166 0.000 2.208 236 E HA -0.110 4.242 4.350 0.004 0.000 0.193 236 E C 1.888 178.548 176.600 0.100 0.000 0.988 236 E CA 0.526 57.000 56.400 0.122 0.000 0.828 236 E CB -0.014 29.738 29.700 0.086 0.000 0.763 236 E HN 0.244 nan 8.360 nan 0.000 0.478 237 K N 0.492 120.932 120.400 0.067 0.000 2.366 237 K HA 0.010 4.333 4.320 0.004 0.000 0.198 237 K C 1.930 178.590 176.600 0.099 0.000 1.044 237 K CA 0.323 56.642 56.287 0.053 0.000 0.973 237 K CB 0.104 32.597 32.500 -0.012 0.000 0.767 237 K HN 0.217 nan 8.250 nan 0.000 0.475 238 L N 0.564 121.876 121.223 0.149 0.000 2.353 238 L HA -0.142 4.200 4.340 0.004 0.000 0.220 238 L C 1.813 178.959 176.870 0.459 0.000 1.133 238 L CA 0.892 55.909 54.840 0.295 0.000 0.798 238 L CB -0.187 42.071 42.059 0.331 0.000 0.922 238 L HN -0.050 nan 8.230 nan 0.000 0.445 239 K N -0.388 120.174 120.400 0.270 0.000 2.361 239 K HA -0.014 4.309 4.320 0.004 0.000 0.196 239 K C 0.265 176.980 176.600 0.193 0.000 1.039 239 K CA 0.162 56.569 56.287 0.201 0.000 1.001 239 K CB -0.122 32.453 32.500 0.126 0.000 0.795 239 K HN 0.037 nan 8.250 nan 0.000 0.495 240 D N 0.132 120.662 120.400 0.217 0.000 2.325 240 D HA 0.066 4.708 4.640 0.004 0.000 0.251 240 D C -1.950 174.530 176.300 0.299 0.000 1.196 240 D CA -2.223 51.893 54.000 0.193 0.000 0.866 240 D CB 1.367 42.248 40.800 0.136 0.000 1.101 240 D HN -0.108 nan 8.370 nan 0.000 0.476 241 P HA 0.021 nan 4.420 nan 0.000 0.221 241 P C 1.362 178.787 177.300 0.208 0.000 1.150 241 P CA 0.645 63.888 63.100 0.239 0.000 0.800 241 P CB 0.234 32.013 31.700 0.131 0.000 0.787 242 G N 0.124 109.027 108.800 0.172 0.000 2.440 242 G HA2 -0.244 3.718 3.960 0.004 0.000 0.218 242 G HA3 -0.244 3.718 3.960 0.004 0.000 0.218 242 G C 1.576 176.492 174.900 0.027 0.000 1.154 242 G CA 0.796 45.931 45.100 0.057 0.000 0.767 242 G HN 0.159 nan 8.290 nan 0.000 0.552 243 V N -0.458 119.497 119.914 0.068 0.000 2.343 243 V HA -0.183 3.939 4.120 0.004 0.000 0.247 243 V C 2.442 178.489 176.094 -0.078 0.000 1.051 243 V CA 1.814 64.113 62.300 -0.003 0.000 1.036 243 V CB -0.695 31.067 31.823 -0.102 0.000 0.654 243 V HN 0.576 nan 8.190 nan 0.000 0.451 244 W N -0.215 121.061 121.300 -0.041 0.000 2.388 244 W HA -0.038 4.625 4.660 0.004 0.000 0.294 244 W C 2.300 178.760 176.519 -0.097 0.000 1.212 244 W CA 0.897 58.209 57.345 -0.055 0.000 1.271 244 W CB -0.474 28.947 29.460 -0.066 0.000 1.126 244 W HN 0.156 nan 8.180 nan 0.000 0.535 245 I N -0.047 120.530 120.570 0.013 0.000 2.315 245 I HA -0.267 3.905 4.170 0.004 0.000 0.248 245 I C 2.546 178.548 176.117 -0.192 0.000 1.117 245 I CA 1.354 62.482 61.300 -0.287 0.000 1.404 245 I CB -0.789 36.833 38.000 -0.630 0.000 1.071 245 I HN -0.037 nan 8.210 nan 0.000 0.419 246 A N 0.631 123.425 122.820 -0.043 0.000 1.873 246 A HA -0.109 4.213 4.320 0.004 0.000 0.215 246 A C 2.548 180.305 177.584 0.288 0.000 1.186 246 A CA 1.671 53.784 52.037 0.126 0.000 0.616 246 A CB -0.923 18.196 19.000 0.198 0.000 0.823 246 A HN 0.389 nan 8.150 nan 0.000 0.442 247 A N -0.511 122.393 122.820 0.141 0.000 1.883 247 A HA -0.051 4.272 4.320 0.004 0.000 0.217 247 A C 2.238 179.914 177.584 0.154 0.000 1.186 247 A CA 1.960 53.959 52.037 -0.064 0.000 0.624 247 A CB -1.037 17.682 19.000 -0.469 0.000 0.822 247 A HN 0.416 nan 8.150 nan 0.000 0.444 248 V N -0.113 119.911 119.914 0.182 0.000 2.427 248 V HA -0.162 3.961 4.120 0.004 0.000 0.248 248 V C 2.799 179.142 176.094 0.416 0.000 1.051 248 V CA 1.886 64.368 62.300 0.303 0.000 1.048 248 V CB -1.412 30.629 31.823 0.363 0.000 0.666 248 V HN 0.631 nan 8.190 nan 0.000 0.456 249 G N -0.810 108.172 108.800 0.303 0.000 2.418 249 G HA2 -0.355 3.608 3.960 0.004 0.000 0.217 249 G HA3 -0.355 3.608 3.960 0.004 0.000 0.217 249 G C 1.518 176.697 174.900 0.464 0.000 1.158 249 G CA 1.113 46.430 45.100 0.361 0.000 0.771 249 G HN 0.504 nan 8.290 nan 0.000 0.545 250 Q N 0.186 120.250 119.800 0.440 0.000 2.084 250 Q HA -0.054 4.289 4.340 0.004 0.000 0.202 250 Q C 2.463 178.772 176.000 0.516 0.000 0.978 250 Q CA 1.006 57.119 55.803 0.517 0.000 0.844 250 Q CB -0.341 28.794 28.738 0.661 0.000 0.898 250 Q HN 0.368 nan 8.270 nan 0.000 0.426 251 I N 0.068 120.866 120.570 0.381 0.000 2.151 251 I HA -0.265 3.907 4.170 0.004 0.000 0.243 251 I C 2.002 178.260 176.117 0.236 0.000 1.080 251 I CA 1.441 62.852 61.300 0.186 0.000 1.339 251 I CB -1.195 36.804 38.000 -0.001 0.000 1.039 251 I HN 0.226 nan 8.210 nan 0.000 0.409 252 F N 0.313 120.418 119.950 0.259 0.000 2.046 252 F HA -0.296 4.233 4.527 0.003 0.000 0.297 252 F C 2.568 178.636 175.800 0.446 0.000 1.123 252 F CA 2.046 60.231 58.000 0.308 0.000 1.199 252 F CB -0.843 38.339 39.000 0.304 0.000 0.972 252 F HN -0.051 nan 8.300 nan 0.000 0.474 253 F N -0.013 120.287 119.950 0.582 0.000 2.102 253 F HA -0.233 4.297 4.527 0.004 0.000 0.298 253 F C 2.681 178.630 175.800 0.247 0.000 1.105 253 F CA 2.059 60.370 58.000 0.519 0.000 1.239 253 F CB -0.828 38.437 39.000 0.442 0.000 0.991 253 F HN -0.104 nan 8.300 nan 0.000 0.474 254 T N 0.117 114.948 114.554 0.463 0.000 2.821 254 T HA -0.094 4.258 4.350 0.004 0.000 0.267 254 T C 1.710 176.448 174.700 0.064 0.000 1.046 254 T CA 1.435 63.693 62.100 0.264 0.000 1.139 254 T CB -0.338 68.704 68.868 0.290 0.000 0.871 254 T HN 0.256 nan 8.240 nan 0.000 0.454 255 L N 0.905 122.171 121.223 0.071 0.000 2.611 255 L HA 0.268 4.610 4.340 0.004 0.000 0.229 255 L C 0.923 177.766 176.870 -0.045 0.000 1.137 255 L CA -0.051 54.793 54.840 0.005 0.000 0.901 255 L CB -0.037 42.027 42.059 0.008 0.000 1.098 255 L HN 0.125 nan 8.230 nan 0.000 0.456 256 S N 0.459 116.091 115.700 -0.113 0.000 3.641 256 S HA -0.169 4.304 4.470 0.004 0.000 0.346 256 S C 0.273 175.012 174.600 0.231 0.000 1.074 256 S CA 0.386 58.452 58.200 -0.223 0.000 1.026 256 S CB -1.964 60.991 63.200 -0.408 0.000 0.908 256 S HN 0.298 nan 8.310 nan 0.000 0.479 257 L N 0.437 121.866 121.223 0.343 0.000 2.326 257 L HA 0.571 4.913 4.340 0.004 0.000 0.278 257 L C 1.506 178.709 176.870 0.557 0.000 1.092 257 L CA 0.403 55.412 54.840 0.281 0.000 0.810 257 L CB 0.777 42.758 42.059 -0.130 0.000 1.153 257 L HN 0.487 nan 8.230 nan 0.000 0.439 258 G N 2.038 111.107 108.800 0.448 0.000 2.148 258 G HA2 -0.314 3.649 3.960 0.004 0.000 0.254 258 G HA3 -0.314 3.649 3.960 0.004 0.000 0.254 258 G C 0.288 175.343 174.900 0.259 0.000 0.981 258 G CA 0.181 45.561 45.100 0.468 0.000 0.670 258 G HN 0.585 nan 8.290 nan 0.000 0.528 259 F N 0.416 120.511 119.950 0.242 0.000 2.678 259 F HA 0.408 4.937 4.527 0.003 0.000 0.305 259 F C 2.099 177.929 175.800 0.051 0.000 1.090 259 F CA 0.636 58.685 58.000 0.081 0.000 1.272 259 F CB 0.717 39.688 39.000 -0.047 0.000 1.060 259 F HN 0.583 nan 8.300 nan 0.000 0.576 260 G N 0.808 109.798 108.800 0.316 0.000 2.187 260 G HA2 -0.362 3.601 3.960 0.004 0.000 0.261 260 G HA3 -0.362 3.601 3.960 0.004 0.000 0.261 260 G C 1.182 176.141 174.900 0.099 0.000 1.000 260 G CA 0.574 45.804 45.100 0.216 0.000 0.718 260 G HN 0.537 nan 8.290 nan 0.000 0.519 261 A N -0.364 122.491 122.820 0.058 0.000 1.924 261 A HA 0.460 4.782 4.320 0.004 0.000 0.211 261 A C 2.299 179.767 177.584 -0.194 0.000 1.198 261 A CA 1.480 53.453 52.037 -0.107 0.000 0.657 261 A CB -0.135 18.723 19.000 -0.236 0.000 0.852 261 A HN 0.404 nan 8.150 nan 0.000 0.454 262 I N 0.440 120.918 120.570 -0.152 0.000 2.252 262 I HA -0.201 3.971 4.170 0.004 0.000 0.245 262 I C 2.354 178.366 176.117 -0.175 0.000 1.102 262 I CA 1.206 62.377 61.300 -0.214 0.000 1.385 262 I CB -1.225 36.684 38.000 -0.150 0.000 1.064 262 I HN 0.277 nan 8.210 nan 0.000 0.414 263 I N 0.623 121.160 120.570 -0.056 0.000 2.127 263 I HA -0.318 3.854 4.170 0.004 0.000 0.241 263 I C 2.529 178.635 176.117 -0.019 0.000 1.075 263 I CA 1.716 62.999 61.300 -0.028 0.000 1.334 263 I CB -0.614 37.407 38.000 0.034 0.000 1.040 263 I HN 0.188 nan 8.210 nan 0.000 0.405 264 T N -0.397 114.178 114.554 0.035 0.000 2.708 264 T HA -0.194 4.158 4.350 0.004 0.000 0.266 264 T C 1.840 176.663 174.700 0.204 0.000 1.037 264 T CA 1.370 63.515 62.100 0.075 0.000 1.146 264 T CB -0.389 68.566 68.868 0.146 0.000 0.865 264 T HN 0.163 nan 8.240 nan 0.000 0.435 265 Y N 1.554 121.923 120.300 0.114 0.000 2.207 265 Y HA -0.003 4.549 4.550 0.004 0.000 0.287 265 Y C 2.673 178.767 175.900 0.324 0.000 1.156 265 Y CA 0.170 58.491 58.100 0.370 0.000 1.182 265 Y CB -1.034 37.544 38.460 0.197 0.000 0.979 265 Y HN 0.219 nan 8.280 nan 0.000 0.521 266 A N -0.790 122.077 122.820 0.078 0.000 2.066 266 A HA -0.109 4.213 4.320 0.004 0.000 0.218 266 A C 2.282 179.901 177.584 0.058 0.000 1.157 266 A CA 1.414 53.419 52.037 -0.053 0.000 0.670 266 A CB -0.901 17.954 19.000 -0.243 0.000 0.804 266 A HN 0.425 nan 8.150 nan 0.000 0.453 267 S N -1.693 113.944 115.700 -0.105 0.000 2.607 267 S HA -0.002 4.470 4.470 0.004 0.000 0.224 267 S C 0.862 175.185 174.600 -0.462 0.000 0.969 267 S CA 0.502 58.529 58.200 -0.288 0.000 0.927 267 S CB -0.643 62.309 63.200 -0.413 0.000 0.772 267 S HN 0.564 nan 8.310 nan 0.000 0.533 268 Y N 0.594 120.926 120.300 0.054 0.000 2.481 268 Y HA 0.469 5.021 4.550 0.004 0.000 0.247 268 Y C 0.458 176.540 175.900 0.303 0.000 1.151 268 Y CA -0.918 57.112 58.100 -0.118 0.000 1.238 268 Y CB 0.158 38.210 38.460 -0.680 0.000 1.179 268 Y HN 0.092 nan 8.280 nan 0.000 0.524 269 V N 2.513 122.749 119.914 0.536 0.000 2.488 269 V HA 0.159 4.281 4.120 0.004 0.000 0.277 269 V C 0.586 176.895 176.094 0.359 0.000 1.046 269 V CA -1.008 61.595 62.300 0.504 0.000 0.986 269 V CB 0.612 32.676 31.823 0.401 0.000 0.989 269 V HN 0.229 nan 8.190 nan 0.000 0.475 270 R N 3.231 123.874 120.500 0.239 0.000 2.570 270 R HA 0.034 4.377 4.340 0.004 0.000 0.277 270 R C 1.534 177.883 176.300 0.083 0.000 1.039 270 R CA -0.191 55.927 56.100 0.030 0.000 1.065 270 R CB 0.484 30.695 30.300 -0.148 0.000 0.964 270 R HN 0.656 nan 8.270 nan 0.000 0.428 271 K N 2.264 122.704 120.400 0.067 0.000 2.228 271 K HA -0.233 4.089 4.320 0.004 0.000 0.205 271 K C 0.917 177.558 176.600 0.068 0.000 1.045 271 K CA 2.201 58.533 56.287 0.075 0.000 0.931 271 K CB 0.111 32.641 32.500 0.050 0.000 0.727 271 K HN 0.667 nan 8.250 nan 0.000 0.458 272 D N -0.436 119.989 120.400 0.043 0.000 2.240 272 D HA -0.138 4.504 4.640 0.004 0.000 0.206 272 D C 0.651 176.975 176.300 0.040 0.000 0.963 272 D CA 0.111 54.131 54.000 0.033 0.000 0.863 272 D CB -0.281 40.526 40.800 0.012 0.000 0.973 272 D HN 0.277 nan 8.370 nan 0.000 0.501 273 Q N 1.534 121.370 119.800 0.059 0.000 2.364 273 Q HA 0.013 4.356 4.340 0.004 0.000 0.267 273 Q C -0.597 175.447 176.000 0.073 0.000 0.999 273 Q CA -0.277 55.568 55.803 0.069 0.000 0.886 273 Q CB 0.798 29.599 28.738 0.105 0.000 1.243 273 Q HN 0.027 nan 8.270 nan 0.000 0.415 274 D N 2.264 122.686 120.400 0.037 0.000 2.488 274 D HA -0.032 4.610 4.640 0.004 0.000 0.238 274 D C 0.593 176.900 176.300 0.012 0.000 1.138 274 D CA 0.482 54.480 54.000 -0.004 0.000 0.873 274 D CB 0.431 41.207 40.800 -0.040 0.000 1.183 274 D HN 0.558 nan 8.370 nan 0.000 0.458 275 I N 0.443 120.989 120.570 -0.040 0.000 4.403 275 I HA 0.126 4.298 4.170 0.004 0.000 0.331 275 I C 0.934 176.853 176.117 -0.331 0.000 1.327 275 I CA -0.498 60.736 61.300 -0.111 0.000 1.175 275 I CB 0.325 38.452 38.000 0.211 0.000 1.165 275 I HN 0.274 nan 8.210 nan 0.000 0.413 276 V N 1.380 121.140 119.914 -0.256 0.000 2.255 276 V HA -0.175 3.947 4.120 0.004 0.000 0.243 276 V C 2.438 178.484 176.094 -0.081 0.000 1.038 276 V CA 2.034 64.160 62.300 -0.290 0.000 1.008 276 V CB -0.486 31.077 31.823 -0.434 0.000 0.645 276 V HN 0.472 nan 8.190 nan 0.000 0.449 277 L N 0.127 121.271 121.223 -0.132 0.000 2.044 277 L HA -0.065 4.277 4.340 0.004 0.000 0.205 277 L C 2.533 179.307 176.870 -0.159 0.000 1.075 277 L CA 2.017 56.804 54.840 -0.087 0.000 0.747 277 L CB -0.776 41.239 42.059 -0.074 0.000 0.903 277 L HN 0.263 nan 8.230 nan 0.000 0.435 278 S N 0.027 115.573 115.700 -0.256 0.000 2.365 278 S HA -0.187 4.285 4.470 0.004 0.000 0.225 278 S C 1.897 176.125 174.600 -0.619 0.000 1.039 278 S CA 1.346 59.332 58.200 -0.357 0.000 1.033 278 S CB -1.163 61.829 63.200 -0.347 0.000 0.887 278 S HN 0.719 nan 8.310 nan 0.000 0.447 279 G N 1.363 109.524 108.800 -1.065 0.000 2.421 279 G HA2 -0.163 3.799 3.960 0.004 0.000 0.216 279 G HA3 -0.163 3.799 3.960 0.004 0.000 0.216 279 G C 1.384 176.003 174.900 -0.469 0.000 1.171 279 G CA 0.926 45.326 45.100 -1.166 0.000 0.775 279 G HN 0.435 nan 8.290 nan 0.000 0.543 280 L N 1.015 122.077 121.223 -0.268 0.000 2.131 280 L HA 0.036 4.378 4.340 0.004 0.000 0.210 280 L C 2.781 179.587 176.870 -0.107 0.000 1.092 280 L CA 2.438 57.163 54.840 -0.192 0.000 0.759 280 L CB -0.735 41.334 42.059 0.017 0.000 0.903 280 L HN 0.182 nan 8.230 nan 0.000 0.435 281 T N -0.437 114.058 114.554 -0.098 0.000 2.851 281 T HA -0.015 4.338 4.350 0.004 0.000 0.262 281 T C 1.932 176.611 174.700 -0.035 0.000 1.043 281 T CA 1.062 63.129 62.100 -0.055 0.000 1.140 281 T CB -0.471 68.363 68.868 -0.057 0.000 0.872 281 T HN 0.473 nan 8.240 nan 0.000 0.446 282 A N 1.611 124.417 122.820 -0.023 0.000 1.902 282 A HA 0.140 4.462 4.320 0.004 0.000 0.217 282 A C 2.612 180.214 177.584 0.030 0.000 1.181 282 A CA 1.825 53.887 52.037 0.042 0.000 0.623 282 A CB -1.058 18.050 19.000 0.181 0.000 0.818 282 A HN 0.503 nan 8.150 nan 0.000 0.443 283 A N -1.249 121.576 122.820 0.008 0.000 1.930 283 A HA -0.027 4.295 4.320 0.004 0.000 0.217 283 A C 2.268 179.892 177.584 0.068 0.000 1.175 283 A CA 2.142 54.203 52.037 0.039 0.000 0.627 283 A CB -0.985 18.002 19.000 -0.023 0.000 0.815 283 A HN 0.427 nan 8.150 nan 0.000 0.443 284 T N 0.291 114.869 114.554 0.040 0.000 2.896 284 T HA 0.020 4.373 4.350 0.004 0.000 0.263 284 T C 1.809 176.490 174.700 -0.032 0.000 1.050 284 T CA 1.089 63.199 62.100 0.016 0.000 1.140 284 T CB -0.319 68.568 68.868 0.032 0.000 0.877 284 T HN 0.340 nan 8.240 nan 0.000 0.457 285 L N 1.389 122.597 121.223 -0.025 0.000 2.042 285 L HA -0.187 4.155 4.340 0.004 0.000 0.210 285 L C 2.611 179.463 176.870 -0.031 0.000 1.076 285 L CA 1.483 56.305 54.840 -0.030 0.000 0.749 285 L CB -0.620 41.422 42.059 -0.028 0.000 0.893 285 L HN 0.306 nan 8.230 nan 0.000 0.432 286 N N -0.223 118.457 118.700 -0.032 0.000 2.069 286 N HA -0.227 4.515 4.740 0.004 0.000 0.191 286 N C 1.809 177.254 175.510 -0.108 0.000 1.031 286 N CA 1.391 54.410 53.050 -0.052 0.000 0.852 286 N CB 0.070 38.539 38.487 -0.031 0.000 1.018 286 N HN 0.158 nan 8.380 nan 0.000 0.423 287 E N 0.647 120.759 120.200 -0.147 0.000 2.110 287 E HA -0.152 4.200 4.350 0.004 0.000 0.193 287 E C 1.835 178.336 176.600 -0.164 0.000 0.988 287 E CA 0.899 57.161 56.400 -0.231 0.000 0.804 287 E CB -0.189 29.230 29.700 -0.468 0.000 0.745 287 E HN 0.522 nan 8.360 nan 0.000 0.458 288 K N 0.643 120.983 120.400 -0.100 0.000 2.009 288 K HA -0.083 4.239 4.320 0.004 0.000 0.210 288 K C 2.149 178.730 176.600 -0.033 0.000 1.049 288 K CA 1.399 57.664 56.287 -0.037 0.000 0.929 288 K CB -0.225 32.275 32.500 0.001 0.000 0.714 288 K HN 0.065 nan 8.250 nan 0.000 0.440 289 A N 1.099 123.893 122.820 -0.043 0.000 2.070 289 A HA -0.211 4.111 4.320 0.004 0.000 0.220 289 A C 1.981 179.389 177.584 -0.293 0.000 1.159 289 A CA 1.661 53.658 52.037 -0.067 0.000 0.656 289 A CB -0.311 18.681 19.000 -0.015 0.000 0.800 289 A HN 0.428 nan 8.150 nan 0.000 0.453 290 E N -0.337 119.666 120.200 -0.328 0.000 2.038 290 E HA -0.067 4.285 4.350 0.004 0.000 0.190 290 E C 1.949 178.157 176.600 -0.653 0.000 0.967 290 E CA 1.267 57.330 56.400 -0.561 0.000 0.816 290 E CB -0.067 29.296 29.700 -0.562 0.000 0.784 290 E HN 0.413 nan 8.360 nan 0.000 0.456 291 V N -0.770 118.875 119.914 -0.448 0.000 2.591 291 V HA -0.024 4.098 4.120 0.004 0.000 0.249 291 V C 2.045 178.264 176.094 0.208 0.000 1.053 291 V CA 1.175 63.377 62.300 -0.164 0.000 1.068 291 V CB -0.410 31.470 31.823 0.096 0.000 0.689 291 V HN 0.254 nan 8.190 nan 0.000 0.462 292 I N -0.500 120.138 120.570 0.113 0.000 2.512 292 I HA 0.043 4.215 4.170 0.004 0.000 0.247 292 I C 2.441 178.644 176.117 0.143 0.000 1.094 292 I CA 1.087 62.482 61.300 0.158 0.000 1.427 292 I CB -0.111 37.947 38.000 0.097 0.000 1.149 292 I HN 0.208 nan 8.210 nan 0.000 0.438 293 L N 0.255 121.535 121.223 0.096 0.000 2.084 293 L HA 0.081 4.423 4.340 0.004 0.000 0.202 293 L C 2.665 179.669 176.870 0.223 0.000 1.074 293 L CA 1.407 56.345 54.840 0.164 0.000 0.757 293 L CB -1.115 41.092 42.059 0.247 0.000 0.918 293 L HN 0.261 nan 8.230 nan 0.000 0.444 294 G N -0.171 108.633 108.800 0.008 0.000 2.402 294 G HA2 -0.171 3.792 3.960 0.004 0.000 0.216 294 G HA3 -0.171 3.792 3.960 0.004 0.000 0.216 294 G C 1.565 176.609 174.900 0.240 0.000 1.162 294 G CA 0.702 45.818 45.100 0.028 0.000 0.777 294 G HN 0.474 nan 8.290 nan 0.000 0.539 295 G N 0.122 109.071 108.800 0.248 0.000 2.471 295 G HA2 -0.011 3.952 3.960 0.004 0.000 0.219 295 G HA3 -0.011 3.952 3.960 0.004 0.000 0.219 295 G C 1.845 176.919 174.900 0.290 0.000 1.125 295 G CA 1.214 46.535 45.100 0.368 0.000 0.775 295 G HN 0.418 nan 8.290 nan 0.000 0.548 296 S N -0.288 115.582 115.700 0.284 0.000 2.524 296 S HA 0.233 4.705 4.470 0.004 0.000 0.216 296 S C 1.935 176.669 174.600 0.223 0.000 0.987 296 S CA -0.130 58.258 58.200 0.314 0.000 0.909 296 S CB 0.124 63.491 63.200 0.279 0.000 0.781 296 S HN 0.378 nan 8.310 nan 0.000 0.521 297 I N 0.261 120.926 120.570 0.158 0.000 2.594 297 I HA -0.016 4.157 4.170 0.004 0.000 0.237 297 I C 2.293 178.365 176.117 -0.075 0.000 1.071 297 I CA 0.591 61.914 61.300 0.039 0.000 1.427 297 I CB -0.438 37.591 38.000 0.049 0.000 1.218 297 I HN 0.116 nan 8.210 nan 0.000 0.444 298 S N 1.139 116.787 115.700 -0.087 0.000 2.338 298 S HA -0.073 4.400 4.470 0.004 0.000 0.218 298 S C 2.023 176.564 174.600 -0.098 0.000 1.032 298 S CA 1.084 59.175 58.200 -0.181 0.000 0.999 298 S CB -0.174 62.973 63.200 -0.090 0.000 0.905 298 S HN 0.193 nan 8.310 nan 0.000 0.439 299 I N 2.198 122.761 120.570 -0.012 0.000 2.113 299 I HA -0.063 4.110 4.170 0.004 0.000 0.238 299 I C -0.876 175.264 176.117 0.039 0.000 1.070 299 I CA 1.142 62.449 61.300 0.012 0.000 1.332 299 I CB -2.732 35.301 38.000 0.055 0.000 1.044 299 I HN 0.164 nan 8.210 nan 0.000 0.402 300 P HA -0.103 nan 4.420 nan 0.000 0.216 300 P C 1.635 178.983 177.300 0.081 0.000 1.150 300 P CA 1.909 65.073 63.100 0.106 0.000 0.837 300 P CB -0.002 31.810 31.700 0.187 0.000 0.786 301 A N -0.041 122.804 122.820 0.043 0.000 1.898 301 A HA -0.057 4.266 4.320 0.004 0.000 0.216 301 A C 2.317 179.919 177.584 0.029 0.000 1.181 301 A CA 1.944 53.987 52.037 0.011 0.000 0.620 301 A CB -1.553 17.358 19.000 -0.148 0.000 0.819 301 A HN 0.189 nan 8.150 nan 0.000 0.442 302 A N -0.553 122.270 122.820 0.006 0.000 1.898 302 A HA 0.016 4.338 4.320 0.004 0.000 0.216 302 A C 2.226 179.918 177.584 0.179 0.000 1.181 302 A CA 1.762 53.870 52.037 0.117 0.000 0.620 302 A CB -0.903 18.104 19.000 0.011 0.000 0.819 302 A HN 0.367 nan 8.150 nan 0.000 0.442 303 V N -0.082 119.870 119.914 0.063 0.000 2.358 303 V HA -0.236 3.886 4.120 0.004 0.000 0.246 303 V C 3.069 179.185 176.094 0.036 0.000 1.047 303 V CA 1.850 64.161 62.300 0.018 0.000 1.035 303 V CB -1.292 30.511 31.823 -0.033 0.000 0.658 303 V HN 0.620 nan 8.190 nan 0.000 0.452 304 A N -0.413 122.442 122.820 0.059 0.000 1.873 304 A HA -0.247 4.076 4.320 0.004 0.000 0.218 304 A C 2.042 179.591 177.584 -0.058 0.000 1.193 304 A CA 2.230 54.280 52.037 0.022 0.000 0.629 304 A CB -0.756 18.300 19.000 0.093 0.000 0.826 304 A HN 0.478 nan 8.150 nan 0.000 0.447 305 F N -2.509 117.314 119.950 -0.212 0.000 2.335 305 F HA 0.132 4.662 4.527 0.005 0.000 0.296 305 F C 1.474 176.906 175.800 -0.613 0.000 1.091 305 F CA 1.011 58.730 58.000 -0.467 0.000 1.399 305 F CB 0.018 38.608 39.000 -0.684 0.000 1.067 305 F HN 0.220 nan 8.300 nan 0.000 0.520 306 F N -0.972 119.019 119.950 0.068 0.000 2.784 306 F HA 0.473 5.002 4.527 0.003 0.000 0.323 306 F C 1.164 176.934 175.800 -0.051 0.000 1.085 306 F CA 0.264 58.263 58.000 -0.000 0.000 1.196 306 F CB -0.098 38.892 39.000 -0.017 0.000 1.053 306 F HN -0.085 nan 8.300 nan 0.000 0.578 307 G N 0.582 109.428 108.800 0.077 0.000 2.781 307 G HA2 -0.173 3.790 3.960 0.004 0.000 0.683 307 G HA3 -0.173 3.790 3.960 0.004 0.000 0.683 307 G C 0.501 175.361 174.900 -0.066 0.000 1.390 307 G CA -0.561 44.534 45.100 -0.009 0.000 0.850 307 G HN -0.054 nan 8.290 nan 0.000 0.557 308 V N 1.061 120.886 119.914 -0.148 0.000 2.261 308 V HA -0.080 4.043 4.120 0.004 0.000 0.246 308 V C 3.399 179.301 176.094 -0.320 0.000 1.047 308 V CA 3.545 65.648 62.300 -0.328 0.000 1.015 308 V CB -1.283 30.323 31.823 -0.361 0.000 0.642 308 V HN 1.813 nan 8.190 nan 0.000 0.446 309 A N 0.015 122.721 122.820 -0.189 0.000 1.969 309 A HA -0.184 4.138 4.320 0.004 0.000 0.218 309 A C 2.043 179.550 177.584 -0.128 0.000 1.169 309 A CA 1.759 53.708 52.037 -0.146 0.000 0.635 309 A CB -0.561 18.388 19.000 -0.085 0.000 0.810 309 A HN 0.605 nan 8.150 nan 0.000 0.445 310 N N 0.372 119.013 118.700 -0.099 0.000 2.216 310 N HA -0.035 4.707 4.740 0.004 0.000 0.183 310 N C 1.915 177.321 175.510 -0.172 0.000 1.017 310 N CA 1.353 54.342 53.050 -0.103 0.000 0.861 310 N CB -0.467 38.013 38.487 -0.011 0.000 0.986 310 N HN 0.446 nan 8.380 nan 0.000 0.428 311 A N 0.914 123.641 122.820 -0.156 0.000 1.902 311 A HA -0.064 4.259 4.320 0.004 0.000 0.217 311 A C 2.501 179.962 177.584 -0.204 0.000 1.181 311 A CA 1.158 53.086 52.037 -0.180 0.000 0.623 311 A CB -0.739 18.160 19.000 -0.168 0.000 0.818 311 A HN 0.082 nan 8.150 nan 0.000 0.443 312 V N -0.068 119.704 119.914 -0.237 0.000 2.295 312 V HA -0.269 3.853 4.120 0.004 0.000 0.246 312 V C 3.068 179.084 176.094 -0.131 0.000 1.049 312 V CA 2.011 64.205 62.300 -0.177 0.000 1.024 312 V CB -1.275 30.448 31.823 -0.167 0.000 0.648 312 V HN 0.614 nan 8.190 nan 0.000 0.447 313 A N -0.272 122.469 122.820 -0.131 0.000 1.933 313 A HA -0.187 4.135 4.320 0.004 0.000 0.218 313 A C 2.180 179.691 177.584 -0.122 0.000 1.175 313 A CA 1.965 53.936 52.037 -0.111 0.000 0.628 313 A CB -0.567 18.370 19.000 -0.105 0.000 0.814 313 A HN 0.522 nan 8.150 nan 0.000 0.444 314 I N -0.315 120.155 120.570 -0.166 0.000 2.226 314 I HA -0.261 3.911 4.170 0.004 0.000 0.245 314 I C 2.885 178.930 176.117 -0.120 0.000 1.100 314 I CA 1.083 62.280 61.300 -0.171 0.000 1.374 314 I CB -0.238 37.606 38.000 -0.260 0.000 1.057 314 I HN 0.340 nan 8.210 nan 0.000 0.413 315 A N 0.234 122.980 122.820 -0.123 0.000 2.067 315 A HA -0.171 4.152 4.320 0.004 0.000 0.219 315 A C 2.229 179.752 177.584 -0.101 0.000 1.158 315 A CA 1.385 53.355 52.037 -0.112 0.000 0.661 315 A CB -0.340 18.584 19.000 -0.127 0.000 0.801 315 A HN 0.341 nan 8.150 nan 0.000 0.452 316 K N -0.663 119.684 120.400 -0.089 0.000 2.314 316 K HA 0.205 4.527 4.320 0.004 0.000 0.198 316 K C 2.135 178.705 176.600 -0.050 0.000 1.045 316 K CA 0.604 56.849 56.287 -0.070 0.000 0.988 316 K CB -0.068 32.396 32.500 -0.060 0.000 0.783 316 K HN 0.409 nan 8.250 nan 0.000 0.484 317 A N 1.632 124.424 122.820 -0.046 0.000 1.933 317 A HA 0.014 4.337 4.320 0.004 0.000 0.218 317 A C 1.144 178.732 177.584 0.007 0.000 1.175 317 A CA 1.747 53.773 52.037 -0.018 0.000 0.628 317 A CB -0.158 18.829 19.000 -0.021 0.000 0.814 317 A HN 0.393 nan 8.150 nan 0.000 0.444 318 G N -4.400 104.398 108.800 -0.002 0.000 2.489 318 G HA2 0.522 4.485 3.960 0.004 0.000 0.305 318 G HA3 0.522 4.485 3.960 0.004 0.000 0.305 318 G C 0.226 175.088 174.900 -0.065 0.000 1.311 318 G CA 0.053 45.157 45.100 0.006 0.000 0.813 318 G HN 0.769 nan 8.290 nan 0.000 0.480 319 A N -1.335 121.389 122.820 -0.159 0.000 2.197 319 A HA 0.561 4.884 4.320 0.004 0.000 0.210 319 A C 1.095 178.431 177.584 -0.413 0.000 1.180 319 A CA 0.688 52.494 52.037 -0.385 0.000 0.846 319 A CB -0.061 18.554 19.000 -0.642 0.000 0.884 319 A HN 0.481 nan 8.150 nan 0.000 0.487 320 F N -0.170 119.904 119.950 0.207 0.000 2.682 320 F HA 0.246 4.775 4.527 0.004 0.000 0.308 320 F C 1.734 177.744 175.800 0.351 0.000 1.093 320 F CA -0.520 57.702 58.000 0.369 0.000 1.244 320 F CB -0.295 38.911 39.000 0.343 0.000 1.052 320 F HN 0.195 nan 8.300 nan 0.000 0.573 321 N N 0.492 119.381 118.700 0.315 0.000 2.106 321 N HA -0.157 4.585 4.740 0.004 0.000 0.188 321 N C 1.893 177.500 175.510 0.162 0.000 1.029 321 N CA 0.981 54.165 53.050 0.223 0.000 0.848 321 N CB -0.080 38.470 38.487 0.106 0.000 1.007 321 N HN 0.178 nan 8.380 nan 0.000 0.423 322 L N 0.961 122.242 121.223 0.098 0.000 2.017 322 L HA -0.020 4.322 4.340 0.004 0.000 0.208 322 L C 2.175 179.067 176.870 0.037 0.000 1.073 322 L CA 1.706 56.555 54.840 0.015 0.000 0.745 322 L CB -0.931 41.114 42.059 -0.023 0.000 0.894 322 L HN 0.082 nan 8.230 nan 0.000 0.432 323 G N -2.550 106.356 108.800 0.176 0.000 2.539 323 G HA2 -0.140 3.822 3.960 0.004 0.000 0.215 323 G HA3 -0.140 3.822 3.960 0.004 0.000 0.215 323 G C 1.106 176.089 174.900 0.137 0.000 1.141 323 G CA 0.362 45.575 45.100 0.189 0.000 0.806 323 G HN 0.403 nan 8.290 nan 0.000 0.533 324 F N -0.654 119.527 119.950 0.387 0.000 2.720 324 F HA 0.471 5.001 4.527 0.004 0.000 0.301 324 F C 1.862 177.967 175.800 0.508 0.000 1.103 324 F CA -0.111 58.155 58.000 0.443 0.000 1.291 324 F CB 0.519 39.609 39.000 0.151 0.000 1.086 324 F HN 0.038 nan 8.300 nan 0.000 0.592 325 I N -1.870 118.984 120.570 0.475 0.000 3.534 325 I HA -0.046 4.126 4.170 0.004 0.000 0.251 325 I C 1.999 178.180 176.117 0.107 0.000 1.136 325 I CA 0.553 62.074 61.300 0.368 0.000 1.475 325 I CB -0.441 37.731 38.000 0.287 0.000 1.526 325 I HN -0.216 nan 8.210 nan 0.000 0.454 326 T N 1.931 116.488 114.554 0.004 0.000 2.701 326 T HA -0.134 4.219 4.350 0.004 0.000 0.263 326 T C 1.854 176.374 174.700 -0.299 0.000 1.040 326 T CA 1.443 63.466 62.100 -0.129 0.000 1.147 326 T CB -0.282 68.502 68.868 -0.140 0.000 0.865 326 T HN 0.062 nan 8.240 nan 0.000 0.426 327 L N 2.488 123.469 121.223 -0.404 0.000 1.994 327 L HA -0.015 4.327 4.340 0.004 0.000 0.208 327 L C -0.731 175.591 176.870 -0.913 0.000 1.071 327 L CA 1.933 56.276 54.840 -0.828 0.000 0.745 327 L CB -1.215 40.169 42.059 -1.125 0.000 0.892 327 L HN 0.158 nan 8.230 nan 0.000 0.431 328 P HA -0.131 nan 4.420 nan 0.000 0.220 328 P C 1.332 178.273 177.300 -0.599 0.000 1.148 328 P CA 1.803 64.772 63.100 -0.218 0.000 0.803 328 P CB -0.139 31.750 31.700 0.316 0.000 0.782 329 A N 0.334 122.586 122.820 -0.946 0.000 1.858 329 A HA -0.147 4.176 4.320 0.004 0.000 0.216 329 A C 2.356 179.591 177.584 -0.581 0.000 1.190 329 A CA 1.349 52.723 52.037 -1.105 0.000 0.617 329 A CB -1.566 17.056 19.000 -0.630 0.000 0.827 329 A HN 0.087 nan 8.150 nan 0.000 0.443 330 I N -1.308 118.914 120.570 -0.581 0.000 2.118 330 I HA -0.287 3.886 4.170 0.004 0.000 0.241 330 I C 2.295 178.110 176.117 -0.504 0.000 1.070 330 I CA 1.486 62.306 61.300 -0.801 0.000 1.327 330 I CB -0.465 36.954 38.000 -0.967 0.000 1.034 330 I HN 0.271 nan 8.210 nan 0.000 0.405 331 F N 1.266 120.973 119.950 -0.405 0.000 2.161 331 F HA -0.240 4.289 4.527 0.003 0.000 0.300 331 F C 3.005 178.752 175.800 -0.088 0.000 1.089 331 F CA 1.494 59.366 58.000 -0.214 0.000 1.282 331 F CB -1.568 37.349 39.000 -0.138 0.000 1.010 331 F HN 0.206 nan 8.300 nan 0.000 0.485 332 S N -0.693 115.070 115.700 0.105 0.000 2.507 332 S HA -0.143 4.329 4.470 0.004 0.000 0.235 332 S C 1.464 176.128 174.600 0.106 0.000 0.988 332 S CA 0.667 58.958 58.200 0.152 0.000 0.944 332 S CB -0.368 62.973 63.200 0.235 0.000 0.762 332 S HN 0.405 nan 8.310 nan 0.000 0.526 333 Q N 1.627 121.459 119.800 0.054 0.000 2.360 333 Q HA 0.147 4.490 4.340 0.004 0.000 0.202 333 Q C 0.488 176.567 176.000 0.133 0.000 0.915 333 Q CA 0.549 56.413 55.803 0.102 0.000 0.943 333 Q CB 0.476 29.304 28.738 0.150 0.000 1.064 333 Q HN 0.849 nan 8.270 nan 0.000 0.511 334 T N -2.871 111.753 114.554 0.118 0.000 2.856 334 T HA 0.712 5.064 4.350 0.004 0.000 0.283 334 T C -0.108 174.641 174.700 0.083 0.000 1.008 334 T CA -0.808 61.356 62.100 0.107 0.000 0.997 334 T CB 2.143 71.073 68.868 0.104 0.000 0.992 334 T HN 0.104 nan 8.240 nan 0.000 0.454 335 A N 1.375 124.234 122.820 0.065 0.000 2.546 335 A HA 0.516 4.838 4.320 0.004 0.000 0.243 335 A C 1.649 179.270 177.584 0.061 0.000 1.063 335 A CA 0.371 52.441 52.037 0.055 0.000 0.757 335 A CB -1.370 17.653 19.000 0.037 0.000 0.991 335 A HN 2.477 nan 8.150 nan 0.000 0.503 336 G N 1.557 110.403 108.800 0.076 0.000 2.143 336 G HA2 -0.115 3.847 3.960 0.004 0.000 0.248 336 G HA3 -0.115 3.847 3.960 0.004 0.000 0.248 336 G C 1.181 176.179 174.900 0.164 0.000 0.991 336 G CA 0.885 46.053 45.100 0.113 0.000 0.689 336 G HN 1.846 nan 8.290 nan 0.000 0.522 337 G N -0.412 108.473 108.800 0.142 0.000 2.408 337 G HA2 0.008 3.970 3.960 0.004 0.000 0.217 337 G HA3 0.008 3.970 3.960 0.004 0.000 0.217 337 G C 1.652 176.722 174.900 0.284 0.000 1.150 337 G CA 2.231 47.426 45.100 0.159 0.000 0.776 337 G HN 0.636 nan 8.290 nan 0.000 0.542 338 T N 0.745 115.489 114.554 0.316 0.000 2.746 338 T HA -0.127 4.225 4.350 0.004 0.000 0.267 338 T C 1.934 176.936 174.700 0.504 0.000 1.039 338 T CA 1.072 63.426 62.100 0.424 0.000 1.142 338 T CB -0.285 68.719 68.868 0.227 0.000 0.866 338 T HN 0.232 nan 8.240 nan 0.000 0.444 339 F N 1.358 121.458 119.950 0.250 0.000 2.134 339 F HA 0.006 4.535 4.527 0.003 0.000 0.299 339 F C 1.955 177.919 175.800 0.273 0.000 1.097 339 F CA 0.611 58.771 58.000 0.266 0.000 1.264 339 F CB -0.459 38.631 39.000 0.149 0.000 1.001 339 F HN -0.002 nan 8.300 nan 0.000 0.479 340 L N 0.536 121.861 121.223 0.171 0.000 2.079 340 L HA -0.053 4.289 4.340 0.004 0.000 0.210 340 L C 2.547 179.347 176.870 -0.117 0.000 1.081 340 L CA 2.066 56.812 54.840 -0.156 0.000 0.752 340 L CB -1.513 40.225 42.059 -0.534 0.000 0.896 340 L HN 0.233 nan 8.230 nan 0.000 0.433 341 G N -1.231 107.695 108.800 0.210 0.000 2.421 341 G HA2 -0.373 3.589 3.960 0.004 0.000 0.216 341 G HA3 -0.373 3.589 3.960 0.004 0.000 0.216 341 G C 1.576 176.649 174.900 0.287 0.000 1.171 341 G CA 0.852 46.154 45.100 0.337 0.000 0.775 341 G HN 0.468 nan 8.290 nan 0.000 0.543 342 F N 1.434 121.512 119.950 0.213 0.000 2.126 342 F HA -0.039 4.491 4.527 0.004 0.000 0.299 342 F C 2.324 178.134 175.800 0.016 0.000 1.096 342 F CA 1.319 59.408 58.000 0.148 0.000 1.255 342 F CB -0.299 38.691 39.000 -0.017 0.000 0.997 342 F HN 0.067 nan 8.300 nan 0.000 0.479 343 L N -0.727 120.202 121.223 -0.491 0.000 2.141 343 L HA -0.217 4.125 4.340 0.004 0.000 0.209 343 L C 2.574 179.302 176.870 -0.237 0.000 1.094 343 L CA 1.307 55.817 54.840 -0.550 0.000 0.763 343 L CB -1.011 40.830 42.059 -0.363 0.000 0.908 343 L HN 0.532 nan 8.230 nan 0.000 0.437 344 W N 0.889 121.990 121.300 -0.331 0.000 2.355 344 W HA -0.257 4.406 4.660 0.005 0.000 0.309 344 W C 2.094 178.343 176.519 -0.450 0.000 1.206 344 W CA 1.292 58.402 57.345 -0.392 0.000 1.284 344 W CB -0.263 28.947 29.460 -0.415 0.000 1.145 344 W HN 0.056 nan 8.180 nan 0.000 0.502 345 F N -0.331 119.454 119.950 -0.276 0.000 2.206 345 F HA -0.089 4.440 4.527 0.004 0.000 0.298 345 F C 2.271 177.943 175.800 -0.213 0.000 1.090 345 F CA 1.258 59.053 58.000 -0.343 0.000 1.323 345 F CB -1.596 37.356 39.000 -0.079 0.000 1.028 345 F HN -0.187 nan 8.300 nan 0.000 0.492 346 F N 0.391 120.197 119.950 -0.241 0.000 2.102 346 F HA -0.216 4.313 4.527 0.003 0.000 0.298 346 F C 2.311 177.965 175.800 -0.243 0.000 1.105 346 F CA 1.210 59.033 58.000 -0.294 0.000 1.239 346 F CB -0.526 38.022 39.000 -0.754 0.000 0.991 346 F HN -0.033 nan 8.300 nan 0.000 0.474 347 L N 0.396 121.495 121.223 -0.206 0.000 2.012 347 L HA -0.230 4.112 4.340 0.004 0.000 0.210 347 L C 2.087 178.734 176.870 -0.372 0.000 1.073 347 L CA 1.918 56.572 54.840 -0.310 0.000 0.748 347 L CB -1.012 40.796 42.059 -0.417 0.000 0.891 347 L HN 0.233 nan 8.230 nan 0.000 0.431 348 L N -1.554 119.365 121.223 -0.506 0.000 2.042 348 L HA -0.233 4.109 4.340 0.004 0.000 0.210 348 L C 2.516 179.325 176.870 -0.102 0.000 1.076 348 L CA 1.637 56.234 54.840 -0.405 0.000 0.749 348 L CB -0.813 40.900 42.059 -0.576 0.000 0.893 348 L HN 0.358 nan 8.230 nan 0.000 0.432 349 F N 0.379 120.231 119.950 -0.164 0.000 2.095 349 F HA -0.275 4.254 4.527 0.004 0.000 0.298 349 F C 2.260 178.097 175.800 0.061 0.000 1.104 349 F CA 1.477 59.443 58.000 -0.057 0.000 1.232 349 F CB -0.443 38.503 39.000 -0.089 0.000 0.987 349 F HN -0.115 nan 8.300 nan 0.000 0.475 350 F N 0.599 120.313 119.950 -0.394 0.000 2.171 350 F HA -0.081 4.448 4.527 0.004 0.000 0.300 350 F C 2.569 178.263 175.800 -0.176 0.000 1.090 350 F CA 0.998 58.802 58.000 -0.327 0.000 1.293 350 F CB -1.476 37.388 39.000 -0.226 0.000 1.013 350 F HN 0.090 nan 8.300 nan 0.000 0.486 351 A N -0.158 122.692 122.820 0.051 0.000 1.898 351 A HA -0.031 4.291 4.320 0.004 0.000 0.216 351 A C 2.610 180.240 177.584 0.077 0.000 1.181 351 A CA 1.718 53.812 52.037 0.095 0.000 0.620 351 A CB -1.536 17.567 19.000 0.172 0.000 0.819 351 A HN 0.389 nan 8.150 nan 0.000 0.442 352 G N -0.207 108.605 108.800 0.020 0.000 2.421 352 G HA2 -0.137 3.826 3.960 0.004 0.000 0.216 352 G HA3 -0.137 3.826 3.960 0.004 0.000 0.216 352 G C 1.479 176.391 174.900 0.020 0.000 1.171 352 G CA 1.192 46.339 45.100 0.077 0.000 0.775 352 G HN 0.450 nan 8.290 nan 0.000 0.543 353 L N 1.865 122.939 121.223 -0.248 0.000 2.042 353 L HA -0.076 4.267 4.340 0.004 0.000 0.210 353 L C 3.114 179.885 176.870 -0.165 0.000 1.076 353 L CA 2.867 57.500 54.840 -0.345 0.000 0.749 353 L CB -1.183 40.440 42.059 -0.726 0.000 0.893 353 L HN 0.394 nan 8.230 nan 0.000 0.432 354 T N -4.745 109.778 114.554 -0.052 0.000 2.962 354 T HA -0.083 4.269 4.350 0.004 0.000 0.270 354 T C 1.897 176.588 174.700 -0.016 0.000 1.088 354 T CA 1.386 63.510 62.100 0.039 0.000 1.127 354 T CB -0.492 68.412 68.868 0.059 0.000 0.883 354 T HN 0.314 nan 8.240 nan 0.000 0.493 355 S N 1.674 117.342 115.700 -0.054 0.000 2.404 355 S HA 0.001 4.473 4.470 0.004 0.000 0.223 355 S C 2.498 176.926 174.600 -0.286 0.000 1.040 355 S CA 0.882 58.967 58.200 -0.190 0.000 0.957 355 S CB -0.291 62.792 63.200 -0.194 0.000 0.826 355 S HN 0.831 nan 8.310 nan 0.000 0.491 356 S N 3.038 118.646 115.700 -0.153 0.000 2.402 356 S HA -0.074 4.398 4.470 0.004 0.000 0.229 356 S C 1.993 176.520 174.600 -0.121 0.000 1.021 356 S CA 1.095 59.209 58.200 -0.142 0.000 0.974 356 S CB -1.007 62.217 63.200 0.040 0.000 0.800 356 S HN 0.697 nan 8.310 nan 0.000 0.484 357 I N 0.116 120.629 120.570 -0.094 0.000 2.454 357 I HA 0.045 4.217 4.170 0.004 0.000 0.254 357 I C 2.514 178.651 176.117 0.033 0.000 1.156 357 I CA 1.231 62.506 61.300 -0.042 0.000 1.433 357 I CB -0.803 37.165 38.000 -0.053 0.000 1.082 357 I HN 0.327 nan 8.210 nan 0.000 0.432 358 A N 2.605 125.393 122.820 -0.053 0.000 1.968 358 A HA 0.013 4.335 4.320 0.004 0.000 0.217 358 A C 2.279 179.733 177.584 -0.217 0.000 1.169 358 A CA 1.607 53.508 52.037 -0.227 0.000 0.638 358 A CB -0.759 17.892 19.000 -0.582 0.000 0.812 358 A HN 0.732 nan 8.150 nan 0.000 0.446 359 I N -4.961 115.473 120.570 -0.226 0.000 3.728 359 I HA 0.191 4.363 4.170 0.004 0.000 0.307 359 I C 1.888 177.960 176.117 -0.075 0.000 1.276 359 I CA 0.493 61.684 61.300 -0.181 0.000 1.285 359 I CB -0.032 37.796 38.000 -0.287 0.000 1.038 359 I HN 0.086 nan 8.210 nan 0.000 0.445 360 M N 0.413 119.989 119.600 -0.041 0.000 2.501 360 M HA 0.019 4.501 4.480 0.004 0.000 0.261 360 M C 2.117 178.447 176.300 0.049 0.000 1.129 360 M CA 0.802 56.109 55.300 0.012 0.000 1.126 360 M CB 0.065 32.670 32.600 0.009 0.000 1.359 360 M HN 0.205 nan 8.290 nan 0.000 0.471 361 Q N 1.187 121.031 119.800 0.072 0.000 2.167 361 Q HA -0.060 4.283 4.340 0.004 0.000 0.202 361 Q C -1.029 175.053 176.000 0.138 0.000 0.970 361 Q CA 1.778 57.657 55.803 0.126 0.000 0.855 361 Q CB -1.174 27.712 28.738 0.246 0.000 0.911 361 Q HN 0.215 nan 8.270 nan 0.000 0.438 362 P HA -0.162 nan 4.420 nan 0.000 0.215 362 P C 1.156 178.525 177.300 0.114 0.000 1.157 362 P CA 1.461 64.621 63.100 0.100 0.000 0.868 362 P CB -0.157 31.576 31.700 0.053 0.000 0.788 363 M N -1.133 118.525 119.600 0.097 0.000 2.159 363 M HA -0.100 4.383 4.480 0.004 0.000 0.263 363 M C 1.872 178.279 176.300 0.178 0.000 1.063 363 M CA 1.745 57.122 55.300 0.128 0.000 1.110 363 M CB -1.210 31.456 32.600 0.110 0.000 1.374 363 M HN -0.209 nan 8.290 nan 0.000 0.411 364 I N -0.101 120.551 120.570 0.137 0.000 2.179 364 I HA -0.283 3.889 4.170 0.004 0.000 0.242 364 I C 2.397 178.579 176.117 0.108 0.000 1.088 364 I CA 1.339 62.708 61.300 0.115 0.000 1.357 364 I CB -0.746 37.296 38.000 0.071 0.000 1.051 364 I HN 0.402 nan 8.210 nan 0.000 0.409 365 A N 0.361 123.259 122.820 0.129 0.000 1.933 365 A HA -0.258 4.065 4.320 0.004 0.000 0.218 365 A C 2.240 179.879 177.584 0.092 0.000 1.175 365 A CA 1.466 53.574 52.037 0.119 0.000 0.628 365 A CB -0.977 18.109 19.000 0.143 0.000 0.814 365 A HN 0.477 nan 8.150 nan 0.000 0.444 366 F N 0.684 120.636 119.950 0.002 0.000 2.102 366 F HA -0.138 4.391 4.527 0.004 0.000 0.298 366 F C 1.858 177.640 175.800 -0.030 0.000 1.105 366 F CA 1.809 59.794 58.000 -0.025 0.000 1.239 366 F CB -0.268 38.701 39.000 -0.051 0.000 0.991 366 F HN 0.143 nan 8.300 nan 0.000 0.474 367 L N -0.019 121.205 121.223 0.001 0.000 2.056 367 L HA -0.178 4.164 4.340 0.004 0.000 0.207 367 L C 2.362 179.148 176.870 -0.140 0.000 1.078 367 L CA 1.641 56.428 54.840 -0.089 0.000 0.749 367 L CB -0.816 41.298 42.059 0.092 0.000 0.901 367 L HN 0.183 nan 8.230 nan 0.000 0.433 368 E N 0.114 120.267 120.200 -0.078 0.000 2.028 368 E HA -0.192 4.160 4.350 0.004 0.000 0.191 368 E C 1.814 178.328 176.600 -0.144 0.000 0.988 368 E CA 1.373 57.723 56.400 -0.083 0.000 0.799 368 E CB -0.041 29.633 29.700 -0.044 0.000 0.755 368 E HN 0.443 nan 8.360 nan 0.000 0.447 369 D N 0.378 120.678 120.400 -0.167 0.000 2.097 369 D HA -0.124 4.519 4.640 0.004 0.000 0.197 369 D C 1.819 177.968 176.300 -0.252 0.000 0.984 369 D CA 1.066 54.943 54.000 -0.205 0.000 0.826 369 D CB -0.037 40.664 40.800 -0.165 0.000 0.973 369 D HN 0.138 nan 8.370 nan 0.000 0.460 370 E N -0.291 119.669 120.200 -0.400 0.000 2.290 370 E HA 0.146 4.498 4.350 0.004 0.000 0.197 370 E C 2.076 178.409 176.600 -0.445 0.000 0.948 370 E CA 0.120 56.237 56.400 -0.472 0.000 0.895 370 E CB 0.367 29.582 29.700 -0.807 0.000 0.865 370 E HN 0.286 nan 8.360 nan 0.000 0.486 371 L N 0.591 121.533 121.223 -0.468 0.000 2.693 371 L HA 0.183 4.525 4.340 0.004 0.000 0.235 371 L C 0.031 176.793 176.870 -0.179 0.000 1.127 371 L CA -0.099 54.562 54.840 -0.300 0.000 0.914 371 L CB 0.218 42.108 42.059 -0.283 0.000 1.193 371 L HN -0.133 nan 8.230 nan 0.000 0.502 372 K N -0.053 120.247 120.400 -0.165 0.000 3.160 372 K HA -0.178 4.145 4.320 0.004 0.000 0.280 372 K C -0.165 176.408 176.600 -0.046 0.000 1.154 372 K CA 0.483 56.709 56.287 -0.101 0.000 0.822 372 K CB -2.180 30.268 32.500 -0.087 0.000 1.239 372 K HN 0.153 nan 8.250 nan 0.000 0.489 373 L N 1.211 122.419 121.223 -0.025 0.000 2.467 373 L HA 0.060 4.402 4.340 0.004 0.000 0.270 373 L C 1.444 178.343 176.870 0.048 0.000 1.205 373 L CA 0.547 55.426 54.840 0.065 0.000 0.828 373 L CB 0.513 42.643 42.059 0.118 0.000 1.101 373 L HN 0.306 nan 8.230 nan 0.000 0.479 374 S N 2.018 117.761 115.700 0.072 0.000 2.584 374 S HA 0.175 4.648 4.470 0.004 0.000 0.270 374 S C 1.241 175.823 174.600 -0.030 0.000 1.346 374 S CA -0.286 57.896 58.200 -0.030 0.000 1.018 374 S CB 0.522 63.639 63.200 -0.138 0.000 0.899 374 S HN 0.648 nan 8.310 nan 0.000 0.542 375 R N 1.319 121.778 120.500 -0.069 0.000 2.096 375 R HA -0.193 4.149 4.340 0.004 0.000 0.240 375 R C 2.313 178.579 176.300 -0.056 0.000 1.139 375 R CA 2.019 58.080 56.100 -0.066 0.000 0.952 375 R CB -0.475 29.765 30.300 -0.101 0.000 0.854 375 R HN 0.854 nan 8.270 nan 0.000 0.436 376 K N -0.513 119.819 120.400 -0.113 0.000 2.001 376 K HA -0.242 4.080 4.320 0.004 0.000 0.214 376 K C 1.938 178.528 176.600 -0.017 0.000 1.050 376 K CA 2.308 58.523 56.287 -0.121 0.000 0.934 376 K CB -0.267 32.097 32.500 -0.227 0.000 0.718 376 K HN 0.506 nan 8.250 nan 0.000 0.443 377 H N -0.921 118.179 119.070 0.049 0.000 2.389 377 H HA -0.058 4.501 4.556 0.004 0.000 0.299 377 H C 2.042 177.515 175.328 0.242 0.000 1.081 377 H CA 0.748 56.881 56.048 0.143 0.000 1.345 377 H CB 0.052 29.941 29.762 0.213 0.000 1.393 377 H HN 0.402 nan 8.280 nan 0.000 0.520 378 A N 0.578 123.564 122.820 0.276 0.000 1.898 378 A HA -0.125 4.197 4.320 0.004 0.000 0.216 378 A C 2.564 180.262 177.584 0.190 0.000 1.181 378 A CA 1.454 53.626 52.037 0.226 0.000 0.620 378 A CB -0.724 18.349 19.000 0.121 0.000 0.819 378 A HN 0.205 nan 8.150 nan 0.000 0.442 379 V N 0.120 120.096 119.914 0.103 0.000 2.307 379 V HA -0.226 3.896 4.120 0.004 0.000 0.245 379 V C 2.560 178.689 176.094 0.060 0.000 1.045 379 V CA 1.830 64.162 62.300 0.054 0.000 1.024 379 V CB -0.730 31.082 31.823 -0.018 0.000 0.651 379 V HN 0.551 nan 8.190 nan 0.000 0.449 380 L N -1.842 119.404 121.223 0.038 0.000 2.056 380 L HA -0.181 4.162 4.340 0.004 0.000 0.207 380 L C 2.417 179.248 176.870 -0.064 0.000 1.078 380 L CA 1.929 56.735 54.840 -0.057 0.000 0.749 380 L CB -0.478 41.498 42.059 -0.138 0.000 0.901 380 L HN 0.396 nan 8.230 nan 0.000 0.433 381 W N -0.039 121.318 121.300 0.094 0.000 2.388 381 W HA -0.157 4.506 4.660 0.004 0.000 0.294 381 W C 2.657 179.252 176.519 0.128 0.000 1.212 381 W CA 1.194 58.603 57.345 0.107 0.000 1.271 381 W CB -0.450 29.078 29.460 0.112 0.000 1.126 381 W HN 0.016 nan 8.180 nan 0.000 0.535 382 T N -0.104 114.649 114.554 0.332 0.000 2.821 382 T HA -0.151 4.201 4.350 0.004 0.000 0.267 382 T C 1.957 176.781 174.700 0.208 0.000 1.046 382 T CA 1.570 63.821 62.100 0.251 0.000 1.139 382 T CB -0.609 68.368 68.868 0.182 0.000 0.871 382 T HN 0.183 nan 8.240 nan 0.000 0.454 383 A N 1.316 124.226 122.820 0.150 0.000 1.930 383 A HA 0.239 4.561 4.320 0.004 0.000 0.217 383 A C 2.602 180.309 177.584 0.206 0.000 1.175 383 A CA 1.629 53.740 52.037 0.123 0.000 0.627 383 A CB -0.935 18.081 19.000 0.027 0.000 0.815 383 A HN 0.491 nan 8.150 nan 0.000 0.443 384 A N 0.030 122.970 122.820 0.200 0.000 1.898 384 A HA -0.044 4.279 4.320 0.004 0.000 0.216 384 A C 2.078 179.904 177.584 0.405 0.000 1.181 384 A CA 1.475 53.677 52.037 0.274 0.000 0.620 384 A CB -0.554 18.533 19.000 0.144 0.000 0.819 384 A HN 0.496 nan 8.150 nan 0.000 0.442 385 I N -0.641 120.150 120.570 0.368 0.000 2.252 385 I HA -0.170 4.003 4.170 0.004 0.000 0.245 385 I C 2.289 178.636 176.117 0.383 0.000 1.102 385 I CA 0.851 62.371 61.300 0.366 0.000 1.385 385 I CB -0.297 37.891 38.000 0.313 0.000 1.064 385 I HN 0.132 nan 8.210 nan 0.000 0.414 386 V N 0.797 120.909 119.914 0.331 0.000 2.307 386 V HA -0.292 3.831 4.120 0.004 0.000 0.245 386 V C 2.295 178.623 176.094 0.389 0.000 1.045 386 V CA 1.936 64.420 62.300 0.307 0.000 1.024 386 V CB -0.693 31.272 31.823 0.237 0.000 0.651 386 V HN 0.374 nan 8.190 nan 0.000 0.449 387 F N 0.732 120.858 119.950 0.294 0.000 2.069 387 F HA -0.261 4.269 4.527 0.004 0.000 0.298 387 F C 2.160 178.251 175.800 0.485 0.000 1.113 387 F CA 2.103 60.327 58.000 0.373 0.000 1.214 387 F CB -0.670 38.480 39.000 0.250 0.000 0.978 387 F HN 0.192 nan 8.300 nan 0.000 0.474 388 F N 0.896 120.974 119.950 0.213 0.000 2.069 388 F HA -0.198 4.331 4.527 0.004 0.000 0.298 388 F C 2.507 178.364 175.800 0.095 0.000 1.113 388 F CA 2.221 60.268 58.000 0.079 0.000 1.214 388 F CB -1.044 38.043 39.000 0.145 0.000 0.978 388 F HN -0.033 nan 8.300 nan 0.000 0.474 389 S N 0.607 116.387 115.700 0.133 0.000 2.400 389 S HA -0.192 4.281 4.470 0.004 0.000 0.232 389 S C 2.246 176.735 174.600 -0.184 0.000 1.025 389 S CA 0.977 59.156 58.200 -0.036 0.000 0.993 389 S CB -0.909 62.488 63.200 0.327 0.000 0.808 389 S HN 0.578 nan 8.310 nan 0.000 0.478 390 A N 1.074 123.828 122.820 -0.109 0.000 2.024 390 A HA -0.166 4.157 4.320 0.004 0.000 0.220 390 A C 1.603 178.873 177.584 -0.523 0.000 1.164 390 A CA 1.549 53.404 52.037 -0.303 0.000 0.643 390 A CB -0.816 17.984 19.000 -0.334 0.000 0.806 390 A HN 0.562 nan 8.150 nan 0.000 0.451 391 H N -1.448 117.339 119.070 -0.471 0.000 2.518 391 H HA -0.049 4.510 4.556 0.004 0.000 0.289 391 H C 1.739 176.949 175.328 -0.196 0.000 1.051 391 H CA 1.277 57.150 56.048 -0.292 0.000 1.280 391 H CB -0.058 29.524 29.762 -0.299 0.000 1.380 391 H HN 0.407 nan 8.280 nan 0.000 0.566 392 L N -0.385 120.700 121.223 -0.230 0.000 2.044 392 L HA -0.085 4.257 4.340 0.004 0.000 0.205 392 L C 2.137 178.921 176.870 -0.144 0.000 1.075 392 L CA 1.096 55.820 54.840 -0.193 0.000 0.747 392 L CB -0.496 41.381 42.059 -0.303 0.000 0.903 392 L HN 0.101 nan 8.230 nan 0.000 0.435 393 V N -0.552 119.245 119.914 -0.196 0.000 2.515 393 V HA -0.290 3.833 4.120 0.004 0.000 0.250 393 V C 2.482 178.410 176.094 -0.276 0.000 1.058 393 V CA 1.853 64.060 62.300 -0.155 0.000 1.064 393 V CB -0.423 31.353 31.823 -0.078 0.000 0.675 393 V HN 0.415 nan 8.190 nan 0.000 0.461 394 M N -1.746 117.495 119.600 -0.599 0.000 2.200 394 M HA -0.016 4.467 4.480 0.004 0.000 0.265 394 M C 1.656 177.570 176.300 -0.643 0.000 1.066 394 M CA 1.948 56.737 55.300 -0.853 0.000 1.127 394 M CB -0.126 31.714 32.600 -1.266 0.000 1.379 394 M HN 0.326 nan 8.290 nan 0.000 0.420 395 F N -0.996 118.831 119.950 -0.204 0.000 2.724 395 F HA 0.282 4.812 4.527 0.004 0.000 0.306 395 F C 0.188 175.920 175.800 -0.113 0.000 1.100 395 F CA -0.346 57.572 58.000 -0.136 0.000 1.255 395 F CB 0.575 39.502 39.000 -0.122 0.000 1.072 395 F HN -0.071 nan 8.300 nan 0.000 0.589 396 L N 0.988 122.223 121.223 0.021 0.000 2.319 396 L HA 0.437 4.780 4.340 0.004 0.000 0.281 396 L C -0.323 176.515 176.870 -0.054 0.000 1.005 396 L CA -0.696 54.132 54.840 -0.020 0.000 0.828 396 L CB 0.596 42.641 42.059 -0.022 0.000 1.227 396 L HN -0.130 nan 8.230 nan 0.000 0.415 397 N N 4.472 123.121 118.700 -0.084 0.000 2.454 397 N HA 0.112 4.854 4.740 0.004 0.000 0.260 397 N C 0.157 175.613 175.510 -0.091 0.000 1.218 397 N CA 0.539 53.529 53.050 -0.100 0.000 0.904 397 N CB 0.391 38.794 38.487 -0.140 0.000 1.065 397 N HN 0.458 nan 8.380 nan 0.000 0.462 398 K N 0.246 120.612 120.400 -0.057 0.000 3.500 398 K HA -0.208 4.114 4.320 0.004 0.000 0.313 398 K C 1.034 177.619 176.600 -0.024 0.000 1.338 398 K CA 0.999 57.261 56.287 -0.042 0.000 0.963 398 K CB -2.043 30.417 32.500 -0.068 0.000 1.267 398 K HN 0.544 nan 8.250 nan 0.000 0.448 399 S N 0.589 116.281 115.700 -0.013 0.000 2.383 399 S HA 0.011 4.483 4.470 0.004 0.000 0.227 399 S C 1.810 176.420 174.600 0.016 0.000 1.026 399 S CA 1.283 59.492 58.200 0.015 0.000 0.981 399 S CB 0.006 63.210 63.200 0.007 0.000 0.818 399 S HN 0.434 nan 8.310 nan 0.000 0.472 400 L N 1.133 122.360 121.223 0.006 0.000 2.042 400 L HA -0.183 4.159 4.340 0.004 0.000 0.210 400 L C 1.736 178.497 176.870 -0.182 0.000 1.076 400 L CA 2.294 57.102 54.840 -0.054 0.000 0.749 400 L CB -0.527 41.563 42.059 0.052 0.000 0.893 400 L HN 0.295 nan 8.230 nan 0.000 0.432 401 D N -0.850 119.505 120.400 -0.075 0.000 2.144 401 D HA -0.215 4.427 4.640 0.004 0.000 0.200 401 D C 2.031 178.298 176.300 -0.054 0.000 0.978 401 D CA 1.025 54.980 54.000 -0.076 0.000 0.833 401 D CB -0.041 40.731 40.800 -0.047 0.000 0.961 401 D HN 0.299 nan 8.370 nan 0.000 0.470 402 E N 0.181 120.380 120.200 -0.002 0.000 2.047 402 E HA -0.081 4.271 4.350 0.004 0.000 0.191 402 E C 2.003 178.747 176.600 0.240 0.000 0.987 402 E CA 0.940 57.409 56.400 0.114 0.000 0.799 402 E CB -0.101 29.697 29.700 0.165 0.000 0.752 402 E HN 0.221 nan 8.360 nan 0.000 0.449 403 M N 0.057 119.746 119.600 0.149 0.000 2.117 403 M HA -0.151 4.331 4.480 0.004 0.000 0.262 403 M C 1.943 178.303 176.300 0.100 0.000 1.065 403 M CA 1.961 57.367 55.300 0.177 0.000 1.114 403 M CB -0.417 32.301 32.600 0.197 0.000 1.361 403 M HN 0.108 nan 8.290 nan 0.000 0.408 404 D N 0.133 120.396 120.400 -0.228 0.000 2.178 404 D HA -0.177 4.466 4.640 0.004 0.000 0.202 404 D C 1.698 178.037 176.300 0.065 0.000 0.974 404 D CA 1.001 54.898 54.000 -0.171 0.000 0.841 404 D CB 0.007 40.570 40.800 -0.395 0.000 0.953 404 D HN 0.267 nan 8.370 nan 0.000 0.478 405 F N -0.581 119.287 119.950 -0.137 0.000 2.074 405 F HA -0.007 4.523 4.527 0.003 0.000 0.293 405 F C 1.588 177.243 175.800 -0.240 0.000 1.116 405 F CA 1.420 59.260 58.000 -0.267 0.000 1.212 405 F CB -0.575 38.125 39.000 -0.501 0.000 0.998 405 F HN 0.029 nan 8.300 nan 0.000 0.471 406 W N 0.050 121.376 121.300 0.043 0.000 2.381 406 W HA -0.020 4.642 4.660 0.005 0.000 0.301 406 W C 2.518 179.053 176.519 0.027 0.000 1.205 406 W CA 1.435 58.783 57.345 0.005 0.000 1.285 406 W CB -0.798 28.821 29.460 0.265 0.000 1.133 406 W HN 0.103 nan 8.180 nan 0.000 0.521 407 A N -0.125 122.823 122.820 0.213 0.000 1.862 407 A HA 0.179 4.501 4.320 0.004 0.000 0.211 407 A C 2.146 179.753 177.584 0.038 0.000 1.220 407 A CA 1.295 53.362 52.037 0.051 0.000 0.616 407 A CB -1.423 17.465 19.000 -0.186 0.000 0.878 407 A HN 0.227 nan 8.150 nan 0.000 0.453 408 G N -1.663 107.252 108.800 0.192 0.000 2.598 408 G HA2 0.168 4.131 3.960 0.004 0.000 0.215 408 G HA3 0.168 4.131 3.960 0.004 0.000 0.215 408 G C 1.167 176.214 174.900 0.245 0.000 1.131 408 G CA 1.687 46.999 45.100 0.354 0.000 0.785 408 G HN 0.464 nan 8.290 nan 0.000 0.539 409 T N 0.018 114.576 114.554 0.007 0.000 3.272 409 T HA 0.200 4.552 4.350 0.004 0.000 0.247 409 T C 2.136 176.643 174.700 -0.321 0.000 0.990 409 T CA -0.103 61.954 62.100 -0.070 0.000 1.213 409 T CB 0.081 68.886 68.868 -0.106 0.000 1.124 409 T HN -0.035 nan 8.240 nan 0.000 0.401 410 I N 2.157 122.307 120.570 -0.700 0.000 2.277 410 I HA 0.053 4.225 4.170 0.004 0.000 0.243 410 I C 2.890 178.822 176.117 -0.308 0.000 1.094 410 I CA 1.508 62.345 61.300 -0.772 0.000 1.393 410 I CB -1.779 35.639 38.000 -0.969 0.000 1.078 410 I HN 0.373 nan 8.210 nan 0.000 0.417 411 G N 1.609 110.331 108.800 -0.130 0.000 2.476 411 G HA2 -0.245 3.717 3.960 0.004 0.000 0.218 411 G HA3 -0.245 3.717 3.960 0.004 0.000 0.218 411 G C 1.826 176.754 174.900 0.047 0.000 1.164 411 G CA 1.905 47.045 45.100 0.067 0.000 0.768 411 G HN 0.385 nan 8.290 nan 0.000 0.560 412 V N -0.945 118.888 119.914 -0.136 0.000 2.427 412 V HA -0.118 4.004 4.120 0.004 0.000 0.248 412 V C 2.706 178.646 176.094 -0.257 0.000 1.051 412 V CA 1.856 64.045 62.300 -0.186 0.000 1.048 412 V CB -0.813 30.775 31.823 -0.391 0.000 0.666 412 V HN 0.169 nan 8.190 nan 0.000 0.456 413 V N 0.179 119.797 119.914 -0.494 0.000 2.307 413 V HA -0.169 3.953 4.120 0.004 0.000 0.245 413 V C 2.389 178.419 176.094 -0.106 0.000 1.045 413 V CA 2.443 64.371 62.300 -0.621 0.000 1.024 413 V CB -1.085 30.557 31.823 -0.303 0.000 0.651 413 V HN 0.598 nan 8.190 nan 0.000 0.449 414 F N 0.571 120.442 119.950 -0.132 0.000 2.091 414 F HA -0.280 4.249 4.527 0.004 0.000 0.299 414 F C 2.082 177.894 175.800 0.020 0.000 1.103 414 F CA 2.051 60.010 58.000 -0.068 0.000 1.228 414 F CB -0.493 38.424 39.000 -0.139 0.000 0.984 414 F HN 0.168 nan 8.300 nan 0.000 0.477 415 F N 0.992 120.848 119.950 -0.156 0.000 2.259 415 F HA 0.118 4.647 4.527 0.004 0.000 0.298 415 F C 2.378 178.160 175.800 -0.031 0.000 1.088 415 F CA 1.252 59.164 58.000 -0.146 0.000 1.358 415 F CB -1.062 37.979 39.000 0.068 0.000 1.040 415 F HN 0.019 nan 8.300 nan 0.000 0.505 416 G N 0.343 109.211 108.800 0.113 0.000 2.421 416 G HA2 -0.280 3.682 3.960 0.004 0.000 0.216 416 G HA3 -0.280 3.682 3.960 0.004 0.000 0.216 416 G C 1.637 176.520 174.900 -0.029 0.000 1.171 416 G CA 0.947 46.156 45.100 0.182 0.000 0.775 416 G HN 0.383 nan 8.290 nan 0.000 0.543 417 L N 0.910 122.090 121.223 -0.071 0.000 2.083 417 L HA -0.014 4.328 4.340 0.004 0.000 0.209 417 L C 2.916 179.578 176.870 -0.347 0.000 1.083 417 L CA 2.489 57.218 54.840 -0.185 0.000 0.752 417 L CB -0.844 41.130 42.059 -0.141 0.000 0.899 417 L HN 0.191 nan 8.230 nan 0.000 0.433 418 T N -0.069 114.210 114.554 -0.459 0.000 2.701 418 T HA -0.198 4.154 4.350 0.004 0.000 0.263 418 T C 1.605 175.994 174.700 -0.519 0.000 1.040 418 T CA 1.593 63.383 62.100 -0.518 0.000 1.147 418 T CB -0.272 68.217 68.868 -0.631 0.000 0.865 418 T HN 0.690 nan 8.240 nan 0.000 0.426 419 E N 1.136 121.021 120.200 -0.525 0.000 2.204 419 E HA -0.084 4.268 4.350 0.004 0.000 0.194 419 E C 2.294 178.741 176.600 -0.256 0.000 0.989 419 E CA 0.801 56.933 56.400 -0.446 0.000 0.824 419 E CB -0.506 29.024 29.700 -0.282 0.000 0.756 419 E HN 0.436 nan 8.360 nan 0.000 0.477 420 L N 0.702 121.783 121.223 -0.237 0.000 2.072 420 L HA -0.053 4.289 4.340 0.004 0.000 0.205 420 L C 2.479 179.170 176.870 -0.298 0.000 1.079 420 L CA 0.975 55.707 54.840 -0.180 0.000 0.752 420 L CB -0.066 41.848 42.059 -0.242 0.000 0.906 420 L HN 0.125 nan 8.230 nan 0.000 0.436 421 I N -0.147 120.131 120.570 -0.488 0.000 2.226 421 I HA -0.342 3.830 4.170 0.004 0.000 0.245 421 I C 2.349 178.306 176.117 -0.267 0.000 1.100 421 I CA 1.470 62.433 61.300 -0.561 0.000 1.374 421 I CB -0.218 37.470 38.000 -0.519 0.000 1.057 421 I HN 0.259 nan 8.210 nan 0.000 0.413 422 I N -0.379 120.010 120.570 -0.301 0.000 2.252 422 I HA -0.297 3.875 4.170 0.004 0.000 0.245 422 I C 2.448 178.551 176.117 -0.023 0.000 1.102 422 I CA 1.489 62.633 61.300 -0.260 0.000 1.385 422 I CB -0.317 37.362 38.000 -0.535 0.000 1.064 422 I HN 0.170 nan 8.210 nan 0.000 0.414 423 F N 0.383 120.243 119.950 -0.151 0.000 2.187 423 F HA -0.082 4.447 4.527 0.004 0.000 0.295 423 F C 1.952 177.808 175.800 0.094 0.000 1.091 423 F CA 1.373 59.360 58.000 -0.022 0.000 1.308 423 F CB -0.210 38.790 39.000 -0.001 0.000 1.030 423 F HN -0.117 nan 8.300 nan 0.000 0.487 424 F N -2.512 117.422 119.950 -0.027 0.000 2.721 424 F HA 0.063 4.593 4.527 0.004 0.000 0.301 424 F C 0.880 176.789 175.800 0.183 0.000 1.096 424 F CA 0.138 58.108 58.000 -0.050 0.000 1.308 424 F CB 0.129 39.093 39.000 -0.061 0.000 1.086 424 F HN -0.064 nan 8.300 nan 0.000 0.587 425 W N -1.265 119.994 121.300 -0.068 0.000 3.097 425 W HA 0.354 5.016 4.660 0.004 0.000 0.245 425 W C 1.668 178.080 176.519 -0.178 0.000 1.120 425 W CA -0.173 57.095 57.345 -0.128 0.000 1.468 425 W CB -0.342 29.045 29.460 -0.123 0.000 0.851 425 W HN -0.173 nan 8.180 nan 0.000 0.692 426 I N -1.550 119.036 120.570 0.027 0.000 2.899 426 I HA -0.074 4.098 4.170 0.004 0.000 0.257 426 I C 2.136 178.234 176.117 -0.032 0.000 1.115 426 I CA 0.522 61.747 61.300 -0.125 0.000 1.451 426 I CB -0.574 37.179 38.000 -0.411 0.000 1.251 426 I HN -0.280 nan 8.210 nan 0.000 0.456 427 F N 2.363 122.230 119.950 -0.138 0.000 2.171 427 F HA 0.130 4.659 4.527 0.004 0.000 0.300 427 F C 1.037 176.717 175.800 -0.201 0.000 1.090 427 F CA 1.281 59.197 58.000 -0.139 0.000 1.293 427 F CB -0.184 38.721 39.000 -0.158 0.000 1.013 427 F HN 0.105 nan 8.300 nan 0.000 0.486 428 G N -1.109 107.522 108.800 -0.281 0.000 3.088 428 G HA2 0.300 4.262 3.960 0.004 0.000 0.620 428 G HA3 0.300 4.262 3.960 0.004 0.000 0.620 428 G C 0.328 174.944 174.900 -0.472 0.000 1.375 428 G CA -0.430 44.447 45.100 -0.372 0.000 1.016 428 G HN 0.589 nan 8.290 nan 0.000 0.590 429 A N 1.234 123.822 122.820 -0.387 0.000 1.978 429 A HA -0.003 4.319 4.320 0.004 0.000 0.220 429 A C 1.934 179.275 177.584 -0.405 0.000 1.170 429 A CA 2.496 54.192 52.037 -0.569 0.000 0.636 429 A CB -0.175 18.697 19.000 -0.214 0.000 0.810 429 A HN 0.681 nan 8.150 nan 0.000 0.448 430 D N -0.670 119.608 120.400 -0.204 0.000 2.240 430 D HA -0.030 4.612 4.640 0.004 0.000 0.206 430 D C 1.838 178.057 176.300 -0.134 0.000 0.963 430 D CA 0.896 54.843 54.000 -0.087 0.000 0.863 430 D CB -0.173 40.567 40.800 -0.099 0.000 0.973 430 D HN 0.479 nan 8.370 nan 0.000 0.501 431 K N 1.226 121.447 120.400 -0.299 0.000 2.025 431 K HA -0.032 4.290 4.320 0.004 0.000 0.207 431 K C 2.242 178.692 176.600 -0.250 0.000 1.049 431 K CA 1.037 57.129 56.287 -0.324 0.000 0.933 431 K CB -0.044 32.029 32.500 -0.711 0.000 0.714 431 K HN -0.031 nan 8.250 nan 0.000 0.438 432 A N 1.819 124.316 122.820 -0.538 0.000 1.865 432 A HA -0.219 4.103 4.320 0.004 0.000 0.217 432 A C 1.964 179.385 177.584 -0.271 0.000 1.191 432 A CA 1.404 52.905 52.037 -0.893 0.000 0.623 432 A CB -1.100 16.847 19.000 -1.755 0.000 0.826 432 A HN 0.641 nan 8.150 nan 0.000 0.444 433 W N 0.928 122.006 121.300 -0.370 0.000 2.338 433 W HA -0.225 4.437 4.660 0.003 0.000 0.304 433 W C 1.916 178.430 176.519 -0.009 0.000 1.212 433 W CA 2.352 59.688 57.345 -0.015 0.000 1.264 433 W CB -0.221 29.315 29.460 0.127 0.000 1.142 433 W HN 0.544 nan 8.180 nan 0.000 0.512 434 E N 0.994 121.239 120.200 0.076 0.000 2.085 434 E HA -0.304 4.048 4.350 0.004 0.000 0.194 434 E C 1.894 178.490 176.600 -0.007 0.000 0.994 434 E CA 2.179 58.580 56.400 0.003 0.000 0.801 434 E CB -0.525 29.197 29.700 0.036 0.000 0.743 434 E HN 0.141 nan 8.360 nan 0.000 0.453 435 E N 0.013 120.253 120.200 0.068 0.000 2.106 435 E HA -0.091 4.261 4.350 0.004 0.000 0.192 435 E C 1.890 178.568 176.600 0.131 0.000 0.984 435 E CA 1.280 57.786 56.400 0.176 0.000 0.806 435 E CB -0.252 29.654 29.700 0.344 0.000 0.750 435 E HN 0.468 nan 8.360 nan 0.000 0.458 436 I N 0.698 121.307 120.570 0.066 0.000 2.163 436 I HA -0.255 3.917 4.170 0.004 0.000 0.240 436 I C 1.986 177.958 176.117 -0.243 0.000 1.081 436 I CA 1.154 62.424 61.300 -0.051 0.000 1.353 436 I CB -0.309 37.628 38.000 -0.105 0.000 1.054 436 I HN 0.130 nan 8.210 nan 0.000 0.407 437 N N 0.701 119.167 118.700 -0.391 0.000 2.409 437 N HA -0.081 4.661 4.740 0.004 0.000 0.179 437 N C 0.896 176.281 175.510 -0.210 0.000 1.032 437 N CA 0.178 52.986 53.050 -0.404 0.000 0.898 437 N CB -0.113 38.044 38.487 -0.550 0.000 0.971 437 N HN 0.258 nan 8.380 nan 0.000 0.441 438 R N 0.852 121.281 120.500 -0.119 0.000 2.485 438 R HA -0.029 4.314 4.340 0.004 0.000 0.304 438 R C 0.891 177.171 176.300 -0.033 0.000 0.934 438 R CA 1.026 57.100 56.100 -0.044 0.000 1.102 438 R CB -0.199 30.111 30.300 0.018 0.000 0.906 438 R HN 0.356 nan 8.270 nan 0.000 0.407 439 G N 2.546 111.326 108.800 -0.033 0.000 2.162 439 G HA2 -0.268 3.695 3.960 0.004 0.000 0.260 439 G HA3 -0.268 3.695 3.960 0.004 0.000 0.260 439 G C 0.400 175.271 174.900 -0.048 0.000 0.976 439 G CA -0.010 45.076 45.100 -0.024 0.000 0.655 439 G HN 0.944 nan 8.290 nan 0.000 0.533 440 G N -0.497 108.249 108.800 -0.090 0.000 2.380 440 G HA2 0.469 4.431 3.960 0.004 0.000 0.242 440 G HA3 0.469 4.431 3.960 0.004 0.000 0.242 440 G C 1.211 176.055 174.900 -0.094 0.000 1.298 440 G CA 0.072 45.097 45.100 -0.124 0.000 0.878 440 G HN 0.389 nan 8.290 nan 0.000 0.542 441 I N 1.814 122.333 120.570 -0.085 0.000 2.163 441 I HA -0.009 4.163 4.170 0.004 0.000 0.240 441 I C 1.362 177.438 176.117 -0.068 0.000 1.081 441 I CA 1.064 62.327 61.300 -0.062 0.000 1.353 441 I CB -0.229 37.741 38.000 -0.051 0.000 1.054 441 I HN 0.553 nan 8.210 nan 0.000 0.407 442 I N -2.017 118.499 120.570 -0.090 0.000 2.707 442 I HA 0.396 4.568 4.170 0.004 0.000 0.309 442 I C -0.261 175.760 176.117 -0.159 0.000 1.001 442 I CA -0.808 60.437 61.300 -0.092 0.000 1.129 442 I CB 1.290 39.253 38.000 -0.062 0.000 1.308 442 I HN -0.149 nan 8.210 nan 0.000 0.466 443 K N 2.588 122.901 120.400 -0.144 0.000 2.098 443 K HA 0.512 4.834 4.320 0.004 0.000 0.261 443 K C -0.932 175.506 176.600 -0.270 0.000 0.987 443 K CA -0.834 55.324 56.287 -0.214 0.000 0.916 443 K CB 2.061 34.493 32.500 -0.114 0.000 1.039 443 K HN 0.463 nan 8.250 nan 0.000 0.455 444 V N 4.506 124.134 119.914 -0.477 0.000 2.508 444 V HA 0.070 4.192 4.120 0.004 0.000 0.281 444 V C -2.080 174.038 176.094 0.040 0.000 1.041 444 V CA -1.575 60.411 62.300 -0.522 0.000 1.016 444 V CB 0.482 31.701 31.823 -1.007 0.000 0.984 444 V HN 0.686 nan 8.190 nan 0.000 0.478 445 P HA 0.005 nan 4.420 nan 0.000 0.261 445 P C 0.851 178.428 177.300 0.461 0.000 1.173 445 P CA 0.242 63.538 63.100 0.328 0.000 0.760 445 P CB 0.386 32.312 31.700 0.377 0.000 0.783 446 R N 3.000 123.698 120.500 0.330 0.000 2.127 446 R HA -0.184 4.159 4.340 0.004 0.000 0.238 446 R C 1.822 178.239 176.300 0.195 0.000 1.134 446 R CA 1.197 57.432 56.100 0.225 0.000 0.975 446 R CB -0.503 29.874 30.300 0.129 0.000 0.865 446 R HN 0.397 nan 8.270 nan 0.000 0.447 447 I N 0.084 120.785 120.570 0.217 0.000 2.361 447 I HA -0.267 3.905 4.170 0.004 0.000 0.251 447 I C 1.205 177.422 176.117 0.166 0.000 1.133 447 I CA 1.467 62.877 61.300 0.182 0.000 1.413 447 I CB -0.123 37.889 38.000 0.020 0.000 1.073 447 I HN 0.201 nan 8.210 nan 0.000 0.424 448 Y N -1.594 118.864 120.300 0.264 0.000 2.509 448 Y HA -0.260 4.292 4.550 0.004 0.000 0.293 448 Y C 2.187 178.208 175.900 0.203 0.000 1.133 448 Y CA 1.330 59.596 58.100 0.276 0.000 1.283 448 Y CB -0.372 38.334 38.460 0.410 0.000 1.001 448 Y HN 0.315 nan 8.280 nan 0.000 0.555 449 Y N -0.796 119.488 120.300 -0.027 0.000 2.181 449 Y HA -0.335 4.217 4.550 0.004 0.000 0.288 449 Y C 1.500 177.221 175.900 -0.298 0.000 1.146 449 Y CA 1.653 59.488 58.100 -0.441 0.000 1.164 449 Y CB -0.615 37.086 38.460 -1.265 0.000 0.982 449 Y HN 0.113 nan 8.280 nan 0.000 0.515 450 Y N -1.522 118.839 120.300 0.101 0.000 2.395 450 Y HA -0.095 4.457 4.550 0.004 0.000 0.293 450 Y C 2.412 178.374 175.900 0.104 0.000 1.123 450 Y CA 1.021 59.222 58.100 0.168 0.000 1.227 450 Y CB -0.728 37.871 38.460 0.233 0.000 1.012 450 Y HN -0.039 nan 8.280 nan 0.000 0.552 451 V N -0.032 119.984 119.914 0.169 0.000 2.270 451 V HA -0.347 3.775 4.120 0.004 0.000 0.245 451 V C 2.229 178.314 176.094 -0.016 0.000 1.043 451 V CA 2.086 64.443 62.300 0.094 0.000 1.014 451 V CB -0.603 31.273 31.823 0.088 0.000 0.645 451 V HN 0.399 nan 8.190 nan 0.000 0.447 452 M N -0.872 118.635 119.600 -0.154 0.000 2.159 452 M HA -0.188 4.294 4.480 0.004 0.000 0.263 452 M C 2.416 178.339 176.300 -0.629 0.000 1.063 452 M CA 1.813 56.810 55.300 -0.505 0.000 1.110 452 M CB -0.373 31.648 32.600 -0.965 0.000 1.374 452 M HN 0.166 nan 8.290 nan 0.000 0.411 453 R N -0.972 119.190 120.500 -0.564 0.000 2.100 453 R HA -0.073 4.270 4.340 0.004 0.000 0.220 453 R C 1.242 177.375 176.300 -0.279 0.000 1.091 453 R CA 1.297 57.136 56.100 -0.434 0.000 0.986 453 R CB 0.295 30.109 30.300 -0.810 0.000 0.888 453 R HN 0.338 nan 8.270 nan 0.000 0.444 454 Y N -1.322 119.058 120.300 0.134 0.000 2.678 454 Y HA 0.154 4.706 4.550 0.004 0.000 0.274 454 Y C 1.939 177.926 175.900 0.145 0.000 1.114 454 Y CA -0.330 57.880 58.100 0.183 0.000 1.274 454 Y CB 0.001 38.545 38.460 0.141 0.000 1.438 454 Y HN -0.142 nan 8.280 nan 0.000 0.493 455 I N 0.299 121.022 120.570 0.255 0.000 2.163 455 I HA -0.194 3.979 4.170 0.004 0.000 0.240 455 I C 2.027 178.243 176.117 0.166 0.000 1.081 455 I CA 1.705 63.119 61.300 0.189 0.000 1.353 455 I CB -1.712 36.364 38.000 0.128 0.000 1.054 455 I HN 0.222 nan 8.210 nan 0.000 0.407 456 T N 2.848 117.443 114.554 0.069 0.000 2.635 456 T HA -0.096 4.256 4.350 0.004 0.000 0.267 456 T C -0.302 174.453 174.700 0.093 0.000 1.040 456 T CA 1.952 64.073 62.100 0.034 0.000 1.156 456 T CB -1.629 67.199 68.868 -0.066 0.000 0.863 456 T HN 0.298 nan 8.240 nan 0.000 0.430 457 P HA 0.021 nan 4.420 nan 0.000 0.217 457 P C 1.442 178.797 177.300 0.092 0.000 1.150 457 P CA 1.392 64.472 63.100 -0.034 0.000 0.832 457 P CB -0.202 31.367 31.700 -0.218 0.000 0.787 458 A N -0.732 122.195 122.820 0.178 0.000 1.930 458 A HA -0.147 4.175 4.320 0.004 0.000 0.217 458 A C 2.164 179.842 177.584 0.157 0.000 1.175 458 A CA 1.017 53.159 52.037 0.175 0.000 0.627 458 A CB -1.813 17.301 19.000 0.189 0.000 0.815 458 A HN 0.084 nan 8.150 nan 0.000 0.443 459 F N 0.554 120.534 119.950 0.050 0.000 2.095 459 F HA -0.183 4.346 4.527 0.003 0.000 0.298 459 F C 1.986 177.820 175.800 0.056 0.000 1.104 459 F CA 1.974 59.997 58.000 0.038 0.000 1.232 459 F CB -0.105 38.924 39.000 0.048 0.000 0.987 459 F HN 0.138 nan 8.300 nan 0.000 0.475 460 L N -0.886 120.521 121.223 0.307 0.000 2.179 460 L HA -0.084 4.258 4.340 0.004 0.000 0.208 460 L C 2.679 179.631 176.870 0.136 0.000 1.096 460 L CA 0.846 55.828 54.840 0.237 0.000 0.779 460 L CB -1.082 41.119 42.059 0.236 0.000 0.922 460 L HN 0.178 nan 8.230 nan 0.000 0.443 461 A N -0.096 122.785 122.820 0.102 0.000 1.898 461 A HA -0.116 4.206 4.320 0.004 0.000 0.216 461 A C 2.337 179.965 177.584 0.073 0.000 1.181 461 A CA 1.471 53.562 52.037 0.089 0.000 0.620 461 A CB -0.699 18.353 19.000 0.087 0.000 0.819 461 A HN 0.161 nan 8.150 nan 0.000 0.442 462 V N -0.224 119.704 119.914 0.024 0.000 2.295 462 V HA -0.244 3.878 4.120 0.004 0.000 0.246 462 V C 2.502 178.578 176.094 -0.030 0.000 1.049 462 V CA 1.960 64.244 62.300 -0.027 0.000 1.024 462 V CB -0.825 30.931 31.823 -0.112 0.000 0.648 462 V HN 0.608 nan 8.190 nan 0.000 0.447 463 L N -0.414 120.773 121.223 -0.060 0.000 1.989 463 L HA -0.199 4.143 4.340 0.004 0.000 0.211 463 L C 2.235 179.178 176.870 0.120 0.000 1.071 463 L CA 2.011 56.827 54.840 -0.040 0.000 0.749 463 L CB -0.374 41.664 42.059 -0.035 0.000 0.890 463 L HN 0.205 nan 8.230 nan 0.000 0.431 464 L N -1.763 119.585 121.223 0.209 0.000 2.201 464 L HA -0.180 4.163 4.340 0.004 0.000 0.212 464 L C 2.361 179.392 176.870 0.268 0.000 1.105 464 L CA 0.585 55.620 54.840 0.325 0.000 0.775 464 L CB -0.416 41.794 42.059 0.252 0.000 0.913 464 L HN 0.148 nan 8.230 nan 0.000 0.440 465 V N -0.687 119.333 119.914 0.177 0.000 2.307 465 V HA -0.239 3.883 4.120 0.004 0.000 0.245 465 V C 2.359 178.555 176.094 0.169 0.000 1.045 465 V CA 1.590 63.977 62.300 0.146 0.000 1.024 465 V CB -0.107 31.772 31.823 0.093 0.000 0.651 465 V HN 0.211 nan 8.190 nan 0.000 0.449 466 V N -1.605 118.407 119.914 0.164 0.000 2.515 466 V HA -0.224 3.899 4.120 0.004 0.000 0.250 466 V C 2.115 178.425 176.094 0.361 0.000 1.058 466 V CA 1.609 64.021 62.300 0.186 0.000 1.064 466 V CB -0.715 31.185 31.823 0.127 0.000 0.675 466 V HN 0.667 nan 8.190 nan 0.000 0.461 467 W N 1.121 122.542 121.300 0.202 0.000 2.354 467 W HA -0.087 4.576 4.660 0.005 0.000 0.315 467 W C 2.356 179.014 176.519 0.232 0.000 1.206 467 W CA 1.758 59.254 57.345 0.251 0.000 1.290 467 W CB -0.598 28.928 29.460 0.111 0.000 1.152 467 W HN 0.252 nan 8.180 nan 0.000 0.489 468 A N -0.111 122.936 122.820 0.377 0.000 2.302 468 A HA 0.147 4.469 4.320 0.004 0.000 0.219 468 A C 1.718 179.408 177.584 0.177 0.000 1.243 468 A CA 0.368 52.534 52.037 0.215 0.000 0.856 468 A CB -0.335 18.750 19.000 0.143 0.000 0.893 468 A HN 0.334 nan 8.150 nan 0.000 0.491 469 R N -1.568 119.044 120.500 0.186 0.000 2.568 469 R HA 0.155 4.497 4.340 0.004 0.000 0.254 469 R C 0.207 176.541 176.300 0.057 0.000 0.925 469 R CA 0.141 56.306 56.100 0.109 0.000 1.025 469 R CB 0.556 30.910 30.300 0.090 0.000 1.428 469 R HN 0.272 nan 8.270 nan 0.000 0.573 470 E N -0.853 119.377 120.200 0.051 0.000 2.715 470 E HA 0.158 4.511 4.350 0.004 0.000 0.224 470 E C -0.205 176.131 176.600 -0.440 0.000 0.962 470 E CA 0.271 56.555 56.400 -0.194 0.000 1.145 470 E CB 0.937 30.460 29.700 -0.294 0.000 1.083 470 E HN 0.241 nan 8.360 nan 0.000 0.506 471 Y N -0.752 119.650 120.300 0.169 0.000 2.498 471 Y HA 0.202 4.754 4.550 0.003 0.000 0.278 471 Y C 1.245 177.224 175.900 0.132 0.000 1.148 471 Y CA -0.558 57.655 58.100 0.189 0.000 1.126 471 Y CB 0.404 39.075 38.460 0.352 0.000 1.320 471 Y HN -0.065 nan 8.280 nan 0.000 0.538 480 H N 0.836 119.908 119.070 0.003 0.000 2.852 480 H HA 0.056 4.614 4.556 0.004 0.000 0.362 480 H C 1.233 176.597 175.328 0.060 0.000 1.122 480 H CA 0.713 56.761 56.048 -0.001 0.000 1.419 480 H CB 0.584 30.265 29.762 -0.135 0.000 1.401 480 H HN 0.840 nan 8.280 nan 0.000 0.609 481 W N 3.617 124.763 121.300 -0.258 0.000 2.392 481 W HA -0.160 4.502 4.660 0.004 0.000 0.279 481 W C 1.227 177.885 176.519 0.232 0.000 1.225 481 W CA 1.261 58.642 57.345 0.059 0.000 1.233 481 W CB -1.237 28.184 29.460 -0.065 0.000 1.122 481 W HN 0.540 nan 8.180 nan 0.000 0.561 482 T N 0.432 114.747 114.554 -0.398 0.000 3.025 482 T HA -0.169 4.183 4.350 0.004 0.000 0.270 482 T C 1.916 176.618 174.700 0.003 0.000 1.126 482 T CA 1.631 63.539 62.100 -0.321 0.000 1.105 482 T CB -1.057 67.521 68.868 -0.483 0.000 0.884 482 T HN 0.213 nan 8.240 nan 0.000 0.522 483 V N -2.566 117.362 119.914 0.025 0.000 2.594 483 V HA -0.016 4.106 4.120 0.004 0.000 0.253 483 V C 2.127 178.217 176.094 -0.006 0.000 1.069 483 V CA 0.635 62.921 62.300 -0.023 0.000 1.082 483 V CB -1.411 30.343 31.823 -0.115 0.000 0.680 483 V HN 0.617 nan 8.190 nan 0.000 0.469 484 W N 0.390 121.799 121.300 0.182 0.000 2.425 484 W HA 0.146 4.809 4.660 0.004 0.000 0.277 484 W C 2.305 178.968 176.519 0.240 0.000 1.231 484 W CA 0.997 58.466 57.345 0.206 0.000 1.248 484 W CB -0.315 29.266 29.460 0.201 0.000 1.117 484 W HN 0.220 nan 8.180 nan 0.000 0.568 485 I N -0.429 120.391 120.570 0.416 0.000 2.226 485 I HA -0.303 3.869 4.170 0.004 0.000 0.245 485 I C 2.200 178.544 176.117 0.378 0.000 1.100 485 I CA 1.530 63.043 61.300 0.356 0.000 1.374 485 I CB -1.070 37.066 38.000 0.227 0.000 1.057 485 I HN -0.126 nan 8.210 nan 0.000 0.413 486 T N 0.309 115.029 114.554 0.277 0.000 2.812 486 T HA -0.069 4.283 4.350 0.004 0.000 0.264 486 T C 2.033 176.915 174.700 0.304 0.000 1.042 486 T CA 0.996 63.257 62.100 0.269 0.000 1.140 486 T CB -0.171 68.809 68.868 0.188 0.000 0.870 486 T HN 0.262 nan 8.240 nan 0.000 0.445 487 R N 0.324 120.965 120.500 0.237 0.000 2.080 487 R HA -0.059 4.283 4.340 0.004 0.000 0.236 487 R C 2.174 178.619 176.300 0.241 0.000 1.137 487 R CA 1.613 57.795 56.100 0.136 0.000 0.943 487 R CB -0.679 29.605 30.300 -0.028 0.000 0.846 487 R HN 0.327 nan 8.270 nan 0.000 0.431 488 F N 0.604 120.696 119.950 0.238 0.000 2.043 488 F HA -0.339 4.190 4.527 0.004 0.000 0.297 488 F C 2.243 178.170 175.800 0.213 0.000 1.121 488 F CA 1.732 59.865 58.000 0.221 0.000 1.199 488 F CB -0.691 38.458 39.000 0.248 0.000 0.968 488 F HN 0.010 nan 8.300 nan 0.000 0.478 489 Y N 1.329 121.735 120.300 0.177 0.000 2.128 489 Y HA -0.238 4.314 4.550 0.004 0.000 0.284 489 Y C 2.311 178.259 175.900 0.080 0.000 1.154 489 Y CA 2.453 60.596 58.100 0.073 0.000 1.149 489 Y CB -0.619 37.948 38.460 0.178 0.000 0.976 489 Y HN 0.312 nan 8.280 nan 0.000 0.505 490 I N -2.425 118.279 120.570 0.225 0.000 2.500 490 I HA -0.128 4.044 4.170 0.004 0.000 0.252 490 I C 2.037 178.363 176.117 0.349 0.000 1.142 490 I CA 1.274 62.774 61.300 0.333 0.000 1.451 490 I CB -0.661 37.623 38.000 0.472 0.000 1.093 490 I HN 0.156 nan 8.210 nan 0.000 0.430 491 I N 2.531 123.150 120.570 0.081 0.000 2.208 491 I HA -0.192 3.981 4.170 0.004 0.000 0.245 491 I C 2.808 178.855 176.117 -0.115 0.000 1.097 491 I CA 1.778 63.019 61.300 -0.099 0.000 1.363 491 I CB -0.868 37.042 38.000 -0.151 0.000 1.051 491 I HN 0.388 nan 8.210 nan 0.000 0.413 492 G N 0.699 109.350 108.800 -0.249 0.000 2.422 492 G HA2 -0.196 3.766 3.960 0.004 0.000 0.218 492 G HA3 -0.196 3.766 3.960 0.004 0.000 0.218 492 G C 1.732 176.552 174.900 -0.133 0.000 1.146 492 G CA 0.426 45.353 45.100 -0.288 0.000 0.769 492 G HN 0.270 nan 8.290 nan 0.000 0.547 493 L N -0.996 120.173 121.223 -0.090 0.000 2.093 493 L HA 0.055 4.398 4.340 0.004 0.000 0.208 493 L C 2.524 179.550 176.870 0.260 0.000 1.085 493 L CA 0.807 55.719 54.840 0.120 0.000 0.755 493 L CB -0.294 41.867 42.059 0.170 0.000 0.904 493 L HN 0.281 nan 8.230 nan 0.000 0.435 494 F N 0.342 120.311 119.950 0.031 0.000 2.134 494 F HA -0.240 4.290 4.527 0.004 0.000 0.299 494 F C 2.188 177.847 175.800 -0.235 0.000 1.097 494 F CA 1.460 59.285 58.000 -0.292 0.000 1.264 494 F CB 0.025 38.523 39.000 -0.837 0.000 1.001 494 F HN -0.097 nan 8.300 nan 0.000 0.479 495 L N -1.069 120.195 121.223 0.069 0.000 2.093 495 L HA -0.196 4.146 4.340 0.004 0.000 0.208 495 L C 2.350 179.223 176.870 0.005 0.000 1.085 495 L CA 1.159 56.010 54.840 0.018 0.000 0.755 495 L CB -0.883 41.169 42.059 -0.011 0.000 0.904 495 L HN 0.233 nan 8.230 nan 0.000 0.435 496 F N 0.826 120.717 119.950 -0.099 0.000 2.134 496 F HA -0.205 4.324 4.527 0.004 0.000 0.299 496 F C 2.052 177.818 175.800 -0.057 0.000 1.097 496 F CA 1.538 59.506 58.000 -0.053 0.000 1.264 496 F CB -0.247 38.712 39.000 -0.068 0.000 1.001 496 F HN -0.119 nan 8.300 nan 0.000 0.479 497 L N -0.502 120.457 121.223 -0.441 0.000 2.156 497 L HA -0.151 4.192 4.340 0.004 0.000 0.208 497 L C 2.312 178.833 176.870 -0.581 0.000 1.095 497 L CA 1.452 55.897 54.840 -0.658 0.000 0.770 497 L CB -1.044 40.683 42.059 -0.553 0.000 0.914 497 L HN 0.115 nan 8.230 nan 0.000 0.439 498 T N -0.273 113.998 114.554 -0.472 0.000 2.746 498 T HA -0.207 4.146 4.350 0.004 0.000 0.267 498 T C 1.636 176.269 174.700 -0.111 0.000 1.039 498 T CA 1.303 63.216 62.100 -0.311 0.000 1.142 498 T CB -0.343 68.391 68.868 -0.222 0.000 0.866 498 T HN 0.172 nan 8.240 nan 0.000 0.444 499 F N 1.907 121.717 119.950 -0.234 0.000 2.126 499 F HA -0.046 4.483 4.527 0.004 0.000 0.299 499 F C 1.921 177.673 175.800 -0.080 0.000 1.096 499 F CA 0.996 58.913 58.000 -0.139 0.000 1.255 499 F CB -0.589 38.333 39.000 -0.130 0.000 0.997 499 F HN 0.074 nan 8.300 nan 0.000 0.479 500 L N -1.070 119.968 121.223 -0.308 0.000 2.093 500 L HA -0.206 4.136 4.340 0.004 0.000 0.208 500 L C 2.359 179.213 176.870 -0.026 0.000 1.085 500 L CA 0.921 55.605 54.840 -0.261 0.000 0.755 500 L CB -0.963 40.916 42.059 -0.300 0.000 0.904 500 L HN -0.009 nan 8.230 nan 0.000 0.435 501 V N -0.176 119.683 119.914 -0.091 0.000 2.343 501 V HA -0.319 3.803 4.120 0.004 0.000 0.247 501 V C 2.275 178.344 176.094 -0.042 0.000 1.051 501 V CA 1.960 64.264 62.300 0.007 0.000 1.036 501 V CB -0.634 31.106 31.823 -0.138 0.000 0.654 501 V HN 0.356 nan 8.190 nan 0.000 0.451 502 F N 0.424 120.250 119.950 -0.207 0.000 2.095 502 F HA -0.212 4.317 4.527 0.004 0.000 0.298 502 F C 2.058 177.697 175.800 -0.268 0.000 1.104 502 F CA 1.791 59.663 58.000 -0.213 0.000 1.232 502 F CB -0.220 38.670 39.000 -0.183 0.000 0.987 502 F HN 0.029 nan 8.300 nan 0.000 0.475 503 L N -0.174 120.864 121.223 -0.308 0.000 2.141 503 L HA -0.164 4.178 4.340 0.004 0.000 0.209 503 L C 2.743 179.423 176.870 -0.316 0.000 1.094 503 L CA 0.969 55.575 54.840 -0.390 0.000 0.763 503 L CB -1.018 40.792 42.059 -0.416 0.000 0.908 503 L HN 0.301 nan 8.230 nan 0.000 0.437 504 A N 0.732 123.412 122.820 -0.232 0.000 1.929 504 A HA -0.195 4.127 4.320 0.004 0.000 0.216 504 A C 2.165 179.615 177.584 -0.223 0.000 1.176 504 A CA 1.478 53.387 52.037 -0.214 0.000 0.628 504 A CB -0.373 18.523 19.000 -0.174 0.000 0.816 504 A HN 0.615 nan 8.150 nan 0.000 0.444 505 E N -1.141 118.899 120.200 -0.267 0.000 2.208 505 E HA -0.126 4.227 4.350 0.004 0.000 0.193 505 E C 1.837 178.261 176.600 -0.295 0.000 0.988 505 E CA 0.434 56.667 56.400 -0.278 0.000 0.828 505 E CB -0.174 29.340 29.700 -0.310 0.000 0.763 505 E HN 0.262 nan 8.360 nan 0.000 0.478 506 R N 1.075 121.340 120.500 -0.392 0.000 2.090 506 R HA 0.040 4.382 4.340 0.004 0.000 0.228 506 R C 2.311 178.498 176.300 -0.188 0.000 1.110 506 R CA 1.034 56.931 56.100 -0.338 0.000 0.973 506 R CB -0.714 29.306 30.300 -0.466 0.000 0.869 506 R HN 0.262 nan 8.270 nan 0.000 0.440 507 R N 0.856 121.247 120.500 -0.182 0.000 2.081 507 R HA -0.062 4.280 4.340 0.004 0.000 0.235 507 R C 2.208 178.468 176.300 -0.067 0.000 1.131 507 R CA 1.300 57.334 56.100 -0.109 0.000 0.960 507 R CB -0.139 30.081 30.300 -0.132 0.000 0.856 507 R HN 0.056 nan 8.270 nan 0.000 0.436 508 R N 0.412 120.854 120.500 -0.096 0.000 2.120 508 R HA -0.094 4.248 4.340 0.004 0.000 0.234 508 R C 1.581 177.849 176.300 -0.053 0.000 1.123 508 R CA 1.838 57.898 56.100 -0.068 0.000 0.975 508 R CB -0.206 30.047 30.300 -0.078 0.000 0.866 508 R HN 0.453 nan 8.270 nan 0.000 0.446 509 N N -0.867 117.795 118.700 -0.064 0.000 2.106 509 N HA -0.144 4.598 4.740 0.004 0.000 0.188 509 N C 0.981 176.483 175.510 -0.014 0.000 1.029 509 N CA 0.486 53.510 53.050 -0.044 0.000 0.848 509 N CB -0.085 38.366 38.487 -0.060 0.000 1.007 509 N HN 0.215 nan 8.380 nan 0.000 0.423 510 H N 0.000 119.023 119.070 -0.079 0.000 2.539 510 H HA 0.000 4.558 4.556 0.004 0.000 0.296 510 H CA 0.000 56.011 56.048 -0.062 0.000 1.023 510 H CB 0.000 29.724 29.762 -0.064 0.000 1.292 510 H HN 0.000 nan 8.280 nan 0.000 0.496