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 3gwu_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.096 176.300 -0.340 0.000 0.893 5 R CA 0.000 55.974 56.100 -0.211 0.000 0.921 5 R CB 0.000 30.133 30.300 -0.279 0.000 0.687 6 E N 2.313 122.343 120.200 -0.282 0.000 2.442 6 E HA 0.028 4.380 4.350 0.005 0.000 0.262 6 E C -0.708 175.577 176.600 -0.525 0.000 1.004 6 E CA 0.668 56.863 56.400 -0.342 0.000 0.928 6 E CB 0.450 29.885 29.700 -0.442 0.000 0.937 6 E HN 0.385 nan 8.360 nan 0.000 0.446 7 H N 0.074 119.035 119.070 -0.181 0.000 2.895 7 H HA 0.226 4.785 4.556 0.005 0.000 0.373 7 H C -1.085 174.104 175.328 -0.232 0.000 1.174 7 H CA -0.878 55.075 56.048 -0.158 0.000 1.144 7 H CB 0.793 30.547 29.762 -0.015 0.000 1.793 7 H HN 0.441 nan 8.280 nan 0.000 0.551 8 W N 1.465 122.842 121.300 0.129 0.000 2.264 8 W HA 0.265 4.928 4.660 0.005 0.000 0.331 8 W C 1.101 177.648 176.519 0.046 0.000 1.364 8 W CA 0.050 57.416 57.345 0.035 0.000 1.253 8 W CB 0.416 29.900 29.460 0.039 0.000 1.215 8 W HN 0.785 nan 8.180 nan 0.000 0.561 9 A N 2.572 125.530 122.820 0.229 0.000 1.855 9 A HA -0.029 4.293 4.320 0.005 0.000 0.215 9 A C 1.147 178.809 177.584 0.129 0.000 1.191 9 A CA 1.786 53.903 52.037 0.133 0.000 0.613 9 A CB -0.859 18.191 19.000 0.084 0.000 0.829 9 A HN 0.568 nan 8.150 nan 0.000 0.442 10 T N -4.905 109.731 114.554 0.136 0.000 2.930 10 T HA 0.560 4.913 4.350 0.005 0.000 0.290 10 T C 0.457 175.209 174.700 0.086 0.000 1.052 10 T CA -0.329 61.826 62.100 0.091 0.000 1.017 10 T CB 1.942 70.844 68.868 0.058 0.000 1.137 10 T HN 0.181 nan 8.240 nan 0.000 0.511 11 R N 0.091 120.625 120.500 0.056 0.000 2.066 11 R HA 0.046 4.389 4.340 0.005 0.000 0.232 11 R C 2.131 178.435 176.300 0.007 0.000 1.131 11 R CA 1.600 57.722 56.100 0.038 0.000 0.955 11 R CB -1.289 29.028 30.300 0.029 0.000 0.851 11 R HN 0.631 nan 8.270 nan 0.000 0.432 12 L N 0.087 121.312 121.223 0.004 0.000 2.046 12 L HA 0.074 4.416 4.340 0.005 0.000 0.208 12 L C 2.081 178.934 176.870 -0.029 0.000 1.077 12 L CA 2.408 57.240 54.840 -0.014 0.000 0.747 12 L CB -1.159 40.894 42.059 -0.010 0.000 0.896 12 L HN 0.318 nan 8.230 nan 0.000 0.432 13 G N -0.328 108.468 108.800 -0.007 0.000 2.418 13 G HA2 -0.292 3.671 3.960 0.005 0.000 0.217 13 G HA3 -0.292 3.671 3.960 0.005 0.000 0.217 13 G C 1.570 176.400 174.900 -0.117 0.000 1.158 13 G CA 0.991 46.088 45.100 -0.005 0.000 0.771 13 G HN 0.449 nan 8.290 nan 0.000 0.545 14 L N 0.807 121.918 121.223 -0.186 0.000 2.017 14 L HA -0.010 4.333 4.340 0.005 0.000 0.208 14 L C 2.566 179.216 176.870 -0.367 0.000 1.073 14 L CA 1.460 55.965 54.840 -0.557 0.000 0.745 14 L CB -0.393 41.437 42.059 -0.381 0.000 0.894 14 L HN 0.122 nan 8.230 nan 0.000 0.432 15 I N -0.415 120.079 120.570 -0.127 0.000 2.179 15 I HA -0.295 3.878 4.170 0.005 0.000 0.242 15 I C 2.600 178.687 176.117 -0.051 0.000 1.088 15 I CA 1.546 62.828 61.300 -0.031 0.000 1.357 15 I CB -1.091 36.898 38.000 -0.018 0.000 1.051 15 I HN 0.347 nan 8.210 nan 0.000 0.409 16 L N 0.477 121.655 121.223 -0.075 0.000 2.141 16 L HA -0.123 4.220 4.340 0.005 0.000 0.209 16 L C 2.807 179.643 176.870 -0.056 0.000 1.094 16 L CA 1.043 55.847 54.840 -0.059 0.000 0.763 16 L CB -0.635 41.391 42.059 -0.057 0.000 0.908 16 L HN 0.176 nan 8.230 nan 0.000 0.437 17 A N -0.258 122.493 122.820 -0.116 0.000 1.898 17 A HA -0.178 4.145 4.320 0.005 0.000 0.216 17 A C 2.332 179.957 177.584 0.069 0.000 1.181 17 A CA 1.282 53.282 52.037 -0.062 0.000 0.620 17 A CB -0.315 18.497 19.000 -0.314 0.000 0.819 17 A HN 0.227 nan 8.150 nan 0.000 0.442 18 M N -0.426 119.149 119.600 -0.041 0.000 2.175 18 M HA -0.107 4.376 4.480 0.005 0.000 0.264 18 M C 2.511 178.830 176.300 0.031 0.000 1.063 18 M CA 1.549 56.871 55.300 0.037 0.000 1.119 18 M CB -1.245 31.409 32.600 0.089 0.000 1.377 18 M HN 0.501 nan 8.290 nan 0.000 0.415 19 A N 0.163 122.998 122.820 0.025 0.000 1.933 19 A HA -0.010 4.313 4.320 0.005 0.000 0.218 19 A C 2.380 179.969 177.584 0.009 0.000 1.175 19 A CA 1.887 53.934 52.037 0.016 0.000 0.628 19 A CB -1.321 17.682 19.000 0.005 0.000 0.814 19 A HN 0.523 nan 8.150 nan 0.000 0.444 20 G N -0.028 108.779 108.800 0.013 0.000 2.422 20 G HA2 -0.270 3.692 3.960 0.005 0.000 0.218 20 G HA3 -0.270 3.692 3.960 0.005 0.000 0.218 20 G C 1.538 176.429 174.900 -0.015 0.000 1.140 20 G CA 1.066 46.176 45.100 0.017 0.000 0.775 20 G HN 0.541 nan 8.290 nan 0.000 0.545 21 N N 1.642 120.311 118.700 -0.051 0.000 2.043 21 N HA -0.118 4.624 4.740 0.005 0.000 0.193 21 N C 2.449 177.834 175.510 -0.208 0.000 1.037 21 N CA 1.856 54.771 53.050 -0.226 0.000 0.851 21 N CB -0.479 37.754 38.487 -0.423 0.000 1.027 21 N HN 0.244 nan 8.380 nan 0.000 0.422 22 A N 0.956 123.702 122.820 -0.123 0.000 1.854 22 A HA 0.072 4.395 4.320 0.005 0.000 0.214 22 A C 1.037 178.599 177.584 -0.037 0.000 1.192 22 A CA 0.618 52.602 52.037 -0.089 0.000 0.611 22 A CB -0.674 18.306 19.000 -0.033 0.000 0.832 22 A HN 0.094 nan 8.150 nan 0.000 0.442 23 V N 0.958 120.874 119.914 0.004 0.000 2.390 23 V HA 0.489 4.612 4.120 0.005 0.000 0.260 23 V C 0.812 176.981 176.094 0.125 0.000 1.043 23 V CA 0.411 62.746 62.300 0.059 0.000 1.047 23 V CB -0.317 31.559 31.823 0.089 0.000 1.066 23 V HN 0.626 nan 8.190 nan 0.000 0.481 24 G N 2.953 111.857 108.800 0.172 0.000 2.976 24 G HA2 0.447 4.410 3.960 0.005 0.000 0.276 24 G HA3 0.447 4.410 3.960 0.005 0.000 0.276 24 G C 0.384 175.493 174.900 0.348 0.000 1.207 24 G CA -0.808 44.450 45.100 0.264 0.000 0.803 24 G HN 0.442 nan 8.290 nan 0.000 0.572 25 L N 0.878 122.309 121.223 0.347 0.000 2.187 25 L HA -0.005 4.338 4.340 0.005 0.000 0.213 25 L C 2.966 180.042 176.870 0.345 0.000 1.100 25 L CA 1.350 56.348 54.840 0.262 0.000 0.765 25 L CB -0.566 41.508 42.059 0.025 0.000 0.904 25 L HN 0.632 nan 8.230 nan 0.000 0.437 26 G N 0.280 109.370 108.800 0.482 0.000 2.422 26 G HA2 -0.261 3.702 3.960 0.005 0.000 0.218 26 G HA3 -0.261 3.702 3.960 0.005 0.000 0.218 26 G C 1.307 176.369 174.900 0.269 0.000 1.146 26 G CA 0.980 46.364 45.100 0.473 0.000 0.769 26 G HN 0.406 nan 8.290 nan 0.000 0.547 27 N N 0.011 118.780 118.700 0.116 0.000 2.216 27 N HA 0.023 4.766 4.740 0.005 0.000 0.183 27 N C 1.498 176.867 175.510 -0.235 0.000 1.017 27 N CA 1.021 53.949 53.050 -0.203 0.000 0.861 27 N CB -0.231 37.909 38.487 -0.579 0.000 0.986 27 N HN 0.399 nan 8.380 nan 0.000 0.428 28 F N -0.743 119.314 119.950 0.178 0.000 2.622 28 F HA 0.363 4.893 4.527 0.004 0.000 0.288 28 F C 1.614 177.564 175.800 0.250 0.000 1.120 28 F CA 0.131 58.258 58.000 0.212 0.000 1.423 28 F CB 0.194 39.237 39.000 0.072 0.000 1.127 28 F HN -0.079 nan 8.300 nan 0.000 0.588 29 L N -1.231 120.192 121.223 0.335 0.000 2.435 29 L HA 0.191 4.534 4.340 0.005 0.000 0.195 29 L C 2.428 179.394 176.870 0.160 0.000 1.072 29 L CA 0.337 55.339 54.840 0.269 0.000 0.833 29 L CB -0.278 41.954 42.059 0.288 0.000 1.081 29 L HN -0.134 nan 8.230 nan 0.000 0.485 30 R N 0.025 120.603 120.500 0.131 0.000 2.062 30 R HA -0.147 4.196 4.340 0.005 0.000 0.229 30 R C 2.389 178.695 176.300 0.011 0.000 1.128 30 R CA 1.512 57.620 56.100 0.013 0.000 0.960 30 R CB -0.270 29.981 30.300 -0.081 0.000 0.855 30 R HN 0.131 nan 8.270 nan 0.000 0.432 31 F N 2.190 122.119 119.950 -0.035 0.000 2.091 31 F HA -0.099 4.430 4.527 0.004 0.000 0.299 31 F C -1.185 174.498 175.800 -0.195 0.000 1.103 31 F CA 1.359 59.301 58.000 -0.097 0.000 1.228 31 F CB -0.930 38.026 39.000 -0.074 0.000 0.984 31 F HN 0.065 nan 8.300 nan 0.000 0.477 32 P HA -0.134 nan 4.420 nan 0.000 0.217 32 P C 2.085 179.181 177.300 -0.340 0.000 1.150 32 P CA 1.616 64.536 63.100 -0.300 0.000 0.832 32 P CB -0.053 31.632 31.700 -0.025 0.000 0.787 33 V N -0.141 119.624 119.914 -0.249 0.000 2.307 33 V HA -0.232 3.891 4.120 0.005 0.000 0.245 33 V C 2.580 178.453 176.094 -0.368 0.000 1.045 33 V CA 1.699 63.854 62.300 -0.241 0.000 1.024 33 V CB -1.139 30.582 31.823 -0.169 0.000 0.651 33 V HN 0.101 nan 8.190 nan 0.000 0.449 34 Q N 0.055 119.575 119.800 -0.467 0.000 2.061 34 Q HA -0.179 4.163 4.340 0.005 0.000 0.204 34 Q C 2.425 177.718 176.000 -1.178 0.000 0.984 34 Q CA 2.089 57.500 55.803 -0.654 0.000 0.846 34 Q CB -0.805 27.616 28.738 -0.528 0.000 0.902 34 Q HN 0.645 nan 8.270 nan 0.000 0.421 35 A N 1.021 122.986 122.820 -1.426 0.000 1.877 35 A HA -0.063 4.260 4.320 0.005 0.000 0.216 35 A C 2.331 179.495 177.584 -0.701 0.000 1.186 35 A CA 2.016 53.201 52.037 -1.421 0.000 0.620 35 A CB -0.710 17.470 19.000 -1.368 0.000 0.822 35 A HN 0.371 nan 8.150 nan 0.000 0.443 36 A N -0.447 122.114 122.820 -0.430 0.000 1.930 36 A HA -0.124 4.199 4.320 0.005 0.000 0.217 36 A C 1.879 179.419 177.584 -0.072 0.000 1.175 36 A CA 1.491 53.489 52.037 -0.065 0.000 0.627 36 A CB -0.483 18.494 19.000 -0.037 0.000 0.815 36 A HN 0.624 nan 8.150 nan 0.000 0.443 37 E N -0.087 119.993 120.200 -0.201 0.000 2.204 37 E HA -0.101 4.252 4.350 0.005 0.000 0.195 37 E C 0.331 176.859 176.600 -0.120 0.000 0.990 37 E CA 0.771 57.081 56.400 -0.150 0.000 0.821 37 E CB -0.045 29.548 29.700 -0.178 0.000 0.750 37 E HN 0.541 nan 8.360 nan 0.000 0.477 38 N N -0.708 117.883 118.700 -0.183 0.000 2.338 38 N HA 0.089 4.832 4.740 0.005 0.000 0.251 38 N C 0.254 175.713 175.510 -0.085 0.000 1.199 38 N CA 0.557 53.549 53.050 -0.096 0.000 0.879 38 N CB 1.748 40.228 38.487 -0.011 0.000 1.159 38 N HN 0.184 nan 8.380 nan 0.000 0.514 39 G N 0.333 109.082 108.800 -0.086 0.000 2.141 39 G HA2 -0.251 3.712 3.960 0.005 0.000 0.231 39 G HA3 -0.251 3.712 3.960 0.005 0.000 0.231 39 G C 0.891 175.519 174.900 -0.454 0.000 0.984 39 G CA 0.314 45.346 45.100 -0.114 0.000 0.660 39 G HN 0.655 nan 8.290 nan 0.000 0.525 40 G N -0.175 108.230 108.800 -0.658 0.000 3.099 40 G HA2 -0.069 3.893 3.960 0.005 0.000 0.331 40 G HA3 -0.069 3.893 3.960 0.005 0.000 0.331 40 G C 2.135 176.633 174.900 -0.670 0.000 1.216 40 G CA 2.016 46.457 45.100 -1.099 0.000 0.977 40 G HN 1.946 nan 8.290 nan 0.000 0.600 41 G N 0.635 109.048 108.800 -0.644 0.000 2.448 41 G HA2 0.255 4.218 3.960 0.005 0.000 0.219 41 G HA3 0.255 4.218 3.960 0.005 0.000 0.219 41 G C 2.050 176.753 174.900 -0.329 0.000 1.127 41 G CA 2.651 47.503 45.100 -0.413 0.000 0.766 41 G HN 1.776 nan 8.290 nan 0.000 0.552 42 A N 0.237 122.874 122.820 -0.306 0.000 2.015 42 A HA 0.115 4.438 4.320 0.005 0.000 0.219 42 A C 2.052 179.506 177.584 -0.217 0.000 1.163 42 A CA 1.275 53.161 52.037 -0.252 0.000 0.646 42 A CB -0.421 18.469 19.000 -0.183 0.000 0.806 42 A HN 0.426 nan 8.150 nan 0.000 0.448 43 F N -0.325 119.415 119.950 -0.350 0.000 2.367 43 F HA -0.045 4.484 4.527 0.003 0.000 0.298 43 F C 2.024 177.664 175.800 -0.267 0.000 1.094 43 F CA 1.228 59.037 58.000 -0.318 0.000 1.409 43 F CB -0.020 38.768 39.000 -0.354 0.000 1.064 43 F HN 0.069 nan 8.300 nan 0.000 0.528 44 M N 0.025 119.482 119.600 -0.238 0.000 2.254 44 M HA -0.115 4.368 4.480 0.005 0.000 0.265 44 M C 2.165 178.376 176.300 -0.148 0.000 1.066 44 M CA 0.921 56.092 55.300 -0.216 0.000 1.123 44 M CB -0.971 31.467 32.600 -0.271 0.000 1.388 44 M HN 0.151 nan 8.290 nan 0.000 0.425 45 I N 0.691 121.132 120.570 -0.214 0.000 2.113 45 I HA -0.178 3.994 4.170 0.005 0.000 0.238 45 I C -0.372 175.587 176.117 -0.265 0.000 1.070 45 I CA 1.669 62.870 61.300 -0.166 0.000 1.332 45 I CB -2.876 35.030 38.000 -0.156 0.000 1.044 45 I HN 0.114 nan 8.210 nan 0.000 0.402 46 P HA -0.196 nan 4.420 nan 0.000 0.218 46 P C 1.890 178.963 177.300 -0.377 0.000 1.149 46 P CA 1.327 63.908 63.100 -0.865 0.000 0.817 46 P CB -0.236 30.610 31.700 -1.424 0.000 0.785 47 Y N 0.354 120.336 120.300 -0.529 0.000 2.145 47 Y HA -0.195 4.358 4.550 0.005 0.000 0.286 47 Y C 2.080 177.923 175.900 -0.096 0.000 1.145 47 Y CA 1.559 59.438 58.100 -0.368 0.000 1.148 47 Y CB -0.848 37.331 38.460 -0.469 0.000 0.981 47 Y HN -0.189 nan 8.280 nan 0.000 0.507 48 I N -0.296 120.316 120.570 0.069 0.000 2.252 48 I HA -0.313 3.860 4.170 0.005 0.000 0.245 48 I C 2.250 178.420 176.117 0.088 0.000 1.102 48 I CA 1.407 62.773 61.300 0.110 0.000 1.385 48 I CB -0.353 37.742 38.000 0.158 0.000 1.064 48 I HN 0.239 nan 8.210 nan 0.000 0.414 49 I N 0.702 121.305 120.570 0.056 0.000 2.226 49 I HA -0.287 3.886 4.170 0.005 0.000 0.245 49 I C 2.768 178.878 176.117 -0.011 0.000 1.100 49 I CA 1.353 62.702 61.300 0.082 0.000 1.374 49 I CB -0.453 37.688 38.000 0.235 0.000 1.057 49 I HN 0.183 nan 8.210 nan 0.000 0.413 50 A N 0.555 123.370 122.820 -0.008 0.000 1.933 50 A HA -0.254 4.068 4.320 0.005 0.000 0.218 50 A C 2.221 179.723 177.584 -0.137 0.000 1.175 50 A CA 1.357 53.346 52.037 -0.079 0.000 0.628 50 A CB -0.934 18.092 19.000 0.042 0.000 0.814 50 A HN 0.455 nan 8.150 nan 0.000 0.444 51 F N 0.652 120.430 119.950 -0.287 0.000 2.126 51 F HA -0.145 4.385 4.527 0.005 0.000 0.299 51 F C 1.830 177.517 175.800 -0.189 0.000 1.096 51 F CA 1.765 59.595 58.000 -0.284 0.000 1.255 51 F CB -0.293 38.525 39.000 -0.304 0.000 0.997 51 F HN 0.143 nan 8.300 nan 0.000 0.479 52 L N -0.553 120.545 121.223 -0.209 0.000 2.109 52 L HA -0.138 4.205 4.340 0.005 0.000 0.207 52 L C 2.153 178.953 176.870 -0.116 0.000 1.086 52 L CA 0.901 55.628 54.840 -0.188 0.000 0.760 52 L CB -0.483 41.568 42.059 -0.015 0.000 0.910 52 L HN 0.186 nan 8.230 nan 0.000 0.437 53 L N -1.903 119.198 121.223 -0.203 0.000 2.513 53 L HA 0.060 4.403 4.340 0.005 0.000 0.222 53 L C 1.579 178.287 176.870 -0.271 0.000 1.096 53 L CA -0.056 54.638 54.840 -0.244 0.000 0.857 53 L CB 0.515 42.300 42.059 -0.456 0.000 1.026 53 L HN 0.028 nan 8.230 nan 0.000 0.469 54 V N -1.532 118.203 119.914 -0.299 0.000 3.161 54 V HA 0.201 4.324 4.120 0.005 0.000 0.221 54 V C 2.260 178.144 176.094 -0.349 0.000 1.296 54 V CA 0.927 63.067 62.300 -0.267 0.000 1.306 54 V CB -0.217 31.496 31.823 -0.184 0.000 1.171 54 V HN 0.268 nan 8.190 nan 0.000 0.513 55 G N 1.086 109.657 108.800 -0.383 0.000 2.459 55 G HA2 -0.204 3.759 3.960 0.005 0.000 0.217 55 G HA3 -0.204 3.759 3.960 0.005 0.000 0.217 55 G C 1.455 176.035 174.900 -0.532 0.000 1.183 55 G CA 1.353 46.214 45.100 -0.399 0.000 0.776 55 G HN 0.300 nan 8.290 nan 0.000 0.552 56 I N 2.272 122.364 120.570 -0.796 0.000 2.133 56 I HA -0.068 4.105 4.170 0.005 0.000 0.238 56 I C 0.226 175.826 176.117 -0.862 0.000 1.074 56 I CA 1.111 61.801 61.300 -1.017 0.000 1.342 56 I CB -1.933 35.345 38.000 -1.204 0.000 1.053 56 I HN 0.153 nan 8.210 nan 0.000 0.404 57 P HA -0.158 nan 4.420 nan 0.000 0.215 57 P C 2.291 179.531 177.300 -0.100 0.000 1.153 57 P CA 1.550 64.538 63.100 -0.185 0.000 0.853 57 P CB -0.047 31.632 31.700 -0.035 0.000 0.788 58 L N -1.944 119.175 121.223 -0.174 0.000 2.156 58 L HA -0.106 4.237 4.340 0.005 0.000 0.208 58 L C 2.768 179.607 176.870 -0.051 0.000 1.095 58 L CA 1.014 55.792 54.840 -0.103 0.000 0.770 58 L CB -0.677 41.278 42.059 -0.172 0.000 0.914 58 L HN -0.036 nan 8.230 nan 0.000 0.439 59 M N -0.644 118.866 119.600 -0.151 0.000 2.080 59 M HA -0.249 4.234 4.480 0.005 0.000 0.260 59 M C 1.952 178.324 176.300 0.120 0.000 1.068 59 M CA 2.019 57.289 55.300 -0.049 0.000 1.109 59 M CB -0.494 31.952 32.600 -0.257 0.000 1.342 59 M HN 0.159 nan 8.290 nan 0.000 0.405 60 W N 0.294 121.560 121.300 -0.057 0.000 2.355 60 W HA -0.110 4.552 4.660 0.005 0.000 0.309 60 W C 2.352 178.921 176.519 0.083 0.000 1.206 60 W CA 1.232 58.544 57.345 -0.055 0.000 1.284 60 W CB -1.284 28.091 29.460 -0.142 0.000 1.145 60 W HN 0.263 nan 8.180 nan 0.000 0.502 61 I N 0.263 121.021 120.570 0.313 0.000 2.163 61 I HA -0.316 3.857 4.170 0.005 0.000 0.243 61 I C 2.285 178.427 176.117 0.042 0.000 1.085 61 I CA 1.597 63.039 61.300 0.236 0.000 1.347 61 I CB -0.511 37.629 38.000 0.233 0.000 1.044 61 I HN -0.006 nan 8.210 nan 0.000 0.408 62 E N -0.298 119.967 120.200 0.108 0.000 2.072 62 E HA -0.223 4.130 4.350 0.005 0.000 0.191 62 E C 2.064 178.732 176.600 0.113 0.000 0.985 62 E CA 1.280 57.722 56.400 0.070 0.000 0.801 62 E CB -0.176 29.579 29.700 0.092 0.000 0.750 62 E HN 0.469 nan 8.360 nan 0.000 0.452 63 W N 1.184 122.502 121.300 0.031 0.000 2.318 63 W HA -0.208 4.455 4.660 0.004 0.000 0.313 63 W C 2.611 179.154 176.519 0.040 0.000 1.221 63 W CA 1.567 58.951 57.345 0.065 0.000 1.266 63 W CB -0.660 28.866 29.460 0.109 0.000 1.150 63 W HN 0.091 nan 8.180 nan 0.000 0.496 64 A N -0.444 122.527 122.820 0.252 0.000 1.877 64 A HA -0.224 4.099 4.320 0.005 0.000 0.216 64 A C 1.955 179.505 177.584 -0.057 0.000 1.186 64 A CA 2.100 54.212 52.037 0.125 0.000 0.620 64 A CB -0.881 18.221 19.000 0.171 0.000 0.822 64 A HN 0.279 nan 8.150 nan 0.000 0.443 65 M N -0.595 118.813 119.600 -0.320 0.000 2.117 65 M HA -0.090 4.393 4.480 0.005 0.000 0.262 65 M C 2.309 178.582 176.300 -0.044 0.000 1.065 65 M CA 1.405 56.492 55.300 -0.355 0.000 1.114 65 M CB -0.594 31.749 32.600 -0.427 0.000 1.361 65 M HN 0.514 nan 8.290 nan 0.000 0.408 66 G N 0.040 108.833 108.800 -0.012 0.000 2.433 66 G HA2 -0.227 3.736 3.960 0.005 0.000 0.216 66 G HA3 -0.227 3.736 3.960 0.005 0.000 0.216 66 G C 1.572 176.494 174.900 0.037 0.000 1.186 66 G CA 0.838 45.941 45.100 0.004 0.000 0.779 66 G HN 0.371 nan 8.290 nan 0.000 0.543 67 R N -0.934 119.626 120.500 0.099 0.000 2.083 67 R HA -0.164 4.179 4.340 0.005 0.000 0.237 67 R C 2.272 178.653 176.300 0.133 0.000 1.137 67 R CA 1.659 57.838 56.100 0.133 0.000 0.951 67 R CB -0.585 29.832 30.300 0.194 0.000 0.851 67 R HN 0.438 nan 8.270 nan 0.000 0.434 68 Y N 0.281 120.601 120.300 0.033 0.000 2.097 68 Y HA -0.169 4.384 4.550 0.005 0.000 0.282 68 Y C 2.147 178.064 175.900 0.028 0.000 1.152 68 Y CA 2.121 60.242 58.100 0.036 0.000 1.136 68 Y CB -0.786 37.681 38.460 0.011 0.000 0.975 68 Y HN 0.188 nan 8.280 nan 0.000 0.498 69 G N -0.837 108.046 108.800 0.138 0.000 2.418 69 G HA2 -0.237 3.725 3.960 0.005 0.000 0.217 69 G HA3 -0.237 3.725 3.960 0.005 0.000 0.217 69 G C 1.879 176.772 174.900 -0.012 0.000 1.158 69 G CA 0.729 45.874 45.100 0.075 0.000 0.771 69 G HN 0.620 nan 8.290 nan 0.000 0.545 70 G N 1.007 109.775 108.800 -0.053 0.000 2.432 70 G HA2 0.060 4.023 3.960 0.005 0.000 0.219 70 G HA3 0.060 4.023 3.960 0.005 0.000 0.219 70 G C 1.988 176.839 174.900 -0.081 0.000 1.135 70 G CA 1.404 46.430 45.100 -0.123 0.000 0.767 70 G HN 0.647 nan 8.290 nan 0.000 0.550 71 A N 0.139 122.926 122.820 -0.054 0.000 2.019 71 A HA -0.032 4.291 4.320 0.005 0.000 0.219 71 A C 2.151 179.682 177.584 -0.088 0.000 1.164 71 A CA 1.531 53.537 52.037 -0.052 0.000 0.644 71 A CB -0.169 18.787 19.000 -0.073 0.000 0.805 71 A HN 0.477 nan 8.150 nan 0.000 0.449 72 Q N -1.729 118.002 119.800 -0.115 0.000 2.220 72 Q HA 0.326 4.669 4.340 0.005 0.000 0.205 72 Q C 0.741 176.635 176.000 -0.177 0.000 0.865 72 Q CA 0.222 55.973 55.803 -0.087 0.000 0.960 72 Q CB 0.476 29.198 28.738 -0.028 0.000 1.097 72 Q HN 0.822 nan 8.270 nan 0.000 0.493 73 G N 1.664 110.322 108.800 -0.237 0.000 2.149 73 G HA2 -0.202 3.761 3.960 0.005 0.000 0.235 73 G HA3 -0.202 3.761 3.960 0.005 0.000 0.235 73 G C -0.416 174.124 174.900 -0.601 0.000 1.018 73 G CA -0.257 44.608 45.100 -0.392 0.000 0.728 73 G HN 0.424 nan 8.290 nan 0.000 0.508 74 H N -1.028 117.982 119.070 -0.099 0.000 2.744 74 H HA 0.545 5.103 4.556 0.005 0.000 0.339 74 H C 0.896 176.163 175.328 -0.103 0.000 1.004 74 H CA -0.045 55.957 56.048 -0.077 0.000 1.257 74 H CB 1.577 31.326 29.762 -0.022 0.000 1.552 74 H HN 0.268 nan 8.280 nan 0.000 0.522 75 G N 2.005 110.795 108.800 -0.016 0.000 3.159 75 G HA2 0.018 3.981 3.960 0.005 0.000 0.232 75 G HA3 0.018 3.981 3.960 0.005 0.000 0.232 75 G C 0.426 175.322 174.900 -0.006 0.000 1.116 75 G CA 0.157 45.197 45.100 -0.100 0.000 0.767 75 G HN 0.572 nan 8.290 nan 0.000 0.547 76 T N -3.204 111.384 114.554 0.058 0.000 2.924 76 T HA 0.446 4.799 4.350 0.005 0.000 0.291 76 T C 1.472 176.171 174.700 -0.001 0.000 1.045 76 T CA 0.396 62.525 62.100 0.047 0.000 1.015 76 T CB 1.588 70.517 68.868 0.101 0.000 1.103 76 T HN 0.017 nan 8.240 nan 0.000 0.496 77 T N -1.876 112.615 114.554 -0.104 0.000 2.915 77 T HA 0.052 4.405 4.350 0.005 0.000 0.269 77 T C -1.073 173.435 174.700 -0.320 0.000 1.071 77 T CA 0.714 62.612 62.100 -0.336 0.000 1.132 77 T CB -1.709 66.767 68.868 -0.653 0.000 0.878 77 T HN 0.439 nan 8.240 nan 0.000 0.479 78 P HA 0.006 nan 4.420 nan 0.000 0.215 78 P C 1.847 179.150 177.300 0.004 0.000 1.157 78 P CA 1.658 64.704 63.100 -0.090 0.000 0.868 78 P CB -0.357 31.286 31.700 -0.096 0.000 0.788 79 A N -0.980 121.838 122.820 -0.003 0.000 1.872 79 A HA -0.117 4.205 4.320 0.005 0.000 0.214 79 A C 2.238 179.845 177.584 0.037 0.000 1.187 79 A CA 1.253 53.243 52.037 -0.079 0.000 0.614 79 A CB -1.558 17.258 19.000 -0.306 0.000 0.826 79 A HN 0.075 nan 8.150 nan 0.000 0.442 80 I N -1.351 119.271 120.570 0.087 0.000 2.226 80 I HA -0.228 3.945 4.170 0.005 0.000 0.245 80 I C 2.186 178.505 176.117 0.336 0.000 1.100 80 I CA 1.128 62.540 61.300 0.186 0.000 1.374 80 I CB -0.379 37.715 38.000 0.157 0.000 1.057 80 I HN 0.232 nan 8.210 nan 0.000 0.413 81 F N 0.090 120.109 119.950 0.114 0.000 2.161 81 F HA -0.262 4.267 4.527 0.004 0.000 0.300 81 F C 2.475 178.402 175.800 0.213 0.000 1.089 81 F CA 1.180 59.273 58.000 0.156 0.000 1.282 81 F CB -1.282 37.821 39.000 0.171 0.000 1.010 81 F HN 0.106 nan 8.300 nan 0.000 0.485 82 Y N 0.201 120.642 120.300 0.236 0.000 2.263 82 Y HA -0.108 4.445 4.550 0.005 0.000 0.292 82 Y C 2.143 178.118 175.900 0.125 0.000 1.130 82 Y CA 1.227 59.392 58.100 0.108 0.000 1.179 82 Y CB -0.453 38.016 38.460 0.014 0.000 0.998 82 Y HN -0.037 nan 8.280 nan 0.000 0.532 83 L N -0.689 120.629 121.223 0.158 0.000 2.083 83 L HA -0.226 4.116 4.340 0.005 0.000 0.209 83 L C 2.130 179.103 176.870 0.172 0.000 1.083 83 L CA 1.141 56.066 54.840 0.141 0.000 0.752 83 L CB -0.502 41.702 42.059 0.242 0.000 0.899 83 L HN 0.258 nan 8.230 nan 0.000 0.433 84 L N -2.394 118.913 121.223 0.140 0.000 2.270 84 L HA -0.043 4.300 4.340 0.005 0.000 0.210 84 L C 0.338 177.420 176.870 0.353 0.000 1.104 84 L CA 0.219 55.110 54.840 0.085 0.000 0.804 84 L CB 0.000 42.001 42.059 -0.097 0.000 0.937 84 L HN 0.305 nan 8.230 nan 0.000 0.450 85 W N 1.013 122.342 121.300 0.048 0.000 2.835 85 W HA 0.323 4.986 4.660 0.005 0.000 0.326 85 W C -0.487 175.989 176.519 -0.072 0.000 1.024 85 W CA -1.314 56.051 57.345 0.034 0.000 1.267 85 W CB 0.741 30.236 29.460 0.057 0.000 1.267 85 W HN -0.221 nan 8.180 nan 0.000 0.412 86 R N 4.871 125.262 120.500 -0.183 0.000 3.688 86 R HA 0.137 4.480 4.340 0.005 0.000 0.194 86 R C -0.284 175.769 176.300 -0.411 0.000 1.677 86 R CA 0.079 55.839 56.100 -0.567 0.000 1.351 86 R CB -0.677 29.404 30.300 -0.364 0.000 1.338 86 R HN 0.425 nan 8.270 nan 0.000 0.731 87 N N 0.479 118.889 118.700 -0.483 0.000 2.277 87 N HA 0.123 4.866 4.740 0.005 0.000 0.286 87 N C 0.531 175.971 175.510 -0.117 0.000 1.140 87 N CA -0.505 52.281 53.050 -0.441 0.000 0.799 87 N CB 2.069 39.824 38.487 -1.220 0.000 1.596 87 N HN 0.022 nan 8.380 nan 0.000 0.473 88 R N 1.657 122.153 120.500 -0.007 0.000 2.120 88 R HA -0.001 4.341 4.340 0.005 0.000 0.234 88 R C 1.607 177.957 176.300 0.085 0.000 1.123 88 R CA 1.495 57.621 56.100 0.043 0.000 0.975 88 R CB -0.641 29.697 30.300 0.062 0.000 0.866 88 R HN 0.589 nan 8.270 nan 0.000 0.446 89 F N 0.302 120.173 119.950 -0.132 0.000 2.365 89 F HA 0.082 4.612 4.527 0.005 0.000 0.300 89 F C 1.868 177.699 175.800 0.053 0.000 1.090 89 F CA 0.782 58.770 58.000 -0.019 0.000 1.408 89 F CB -0.468 38.556 39.000 0.040 0.000 1.060 89 F HN 0.125 nan 8.300 nan 0.000 0.534 90 A N -0.050 122.689 122.820 -0.134 0.000 1.930 90 A HA -0.185 4.138 4.320 0.005 0.000 0.217 90 A C 2.297 180.032 177.584 0.252 0.000 1.175 90 A CA 1.618 53.733 52.037 0.129 0.000 0.627 90 A CB -0.517 18.549 19.000 0.111 0.000 0.815 90 A HN 0.388 nan 8.150 nan 0.000 0.443 91 K N -0.439 120.032 120.400 0.119 0.000 2.057 91 K HA -0.006 4.317 4.320 0.005 0.000 0.206 91 K C 1.740 178.343 176.600 0.005 0.000 1.050 91 K CA 1.464 57.773 56.287 0.037 0.000 0.935 91 K CB -0.314 32.134 32.500 -0.087 0.000 0.715 91 K HN 0.540 nan 8.250 nan 0.000 0.439 92 I N 1.025 121.602 120.570 0.012 0.000 2.202 92 I HA -0.264 3.908 4.170 0.005 0.000 0.242 92 I C 2.123 178.293 176.117 0.087 0.000 1.091 92 I CA 1.121 62.428 61.300 0.011 0.000 1.368 92 I CB -0.250 37.802 38.000 0.086 0.000 1.058 92 I HN 0.090 nan 8.210 nan 0.000 0.410 93 L N 0.587 121.862 121.223 0.086 0.000 2.131 93 L HA -0.146 4.197 4.340 0.005 0.000 0.210 93 L C 2.609 179.833 176.870 0.590 0.000 1.092 93 L CA 1.468 56.554 54.840 0.410 0.000 0.759 93 L CB -1.036 41.202 42.059 0.298 0.000 0.903 93 L HN 0.347 nan 8.230 nan 0.000 0.435 94 G N -0.698 108.283 108.800 0.301 0.000 2.471 94 G HA2 -0.154 3.809 3.960 0.005 0.000 0.219 94 G HA3 -0.154 3.809 3.960 0.005 0.000 0.219 94 G C 1.558 176.371 174.900 -0.146 0.000 1.125 94 G CA 0.604 45.610 45.100 -0.157 0.000 0.775 94 G HN 0.216 nan 8.290 nan 0.000 0.548 95 V N 0.350 120.158 119.914 -0.176 0.000 2.469 95 V HA -0.157 3.965 4.120 0.005 0.000 0.251 95 V C 2.388 178.257 176.094 -0.374 0.000 1.064 95 V CA 1.289 63.311 62.300 -0.464 0.000 1.066 95 V CB -0.640 30.651 31.823 -0.886 0.000 0.667 95 V HN 0.339 nan 8.190 nan 0.000 0.461 96 F N 1.386 121.302 119.950 -0.058 0.000 2.269 96 F HA -0.046 4.484 4.527 0.005 0.000 0.301 96 F C 2.284 177.748 175.800 -0.559 0.000 1.082 96 F CA 1.417 59.383 58.000 -0.056 0.000 1.360 96 F CB -0.823 38.225 39.000 0.079 0.000 1.041 96 F HN 0.240 nan 8.300 nan 0.000 0.512 97 G N -1.003 107.471 108.800 -0.545 0.000 2.920 97 G HA2 0.059 4.022 3.960 0.005 0.000 0.208 97 G HA3 0.059 4.022 3.960 0.005 0.000 0.208 97 G C 1.398 176.170 174.900 -0.213 0.000 1.159 97 G CA 0.255 45.063 45.100 -0.488 0.000 0.784 97 G HN 0.348 nan 8.290 nan 0.000 0.535 98 L N -2.425 118.680 121.223 -0.198 0.000 2.547 98 L HA 0.285 4.628 4.340 0.005 0.000 0.218 98 L C 2.312 179.149 176.870 -0.055 0.000 1.048 98 L CA -0.186 54.557 54.840 -0.161 0.000 0.859 98 L CB -0.164 41.699 42.059 -0.325 0.000 1.128 98 L HN 0.329 nan 8.230 nan 0.000 0.483 99 W N 1.799 122.967 121.300 -0.219 0.000 2.379 99 W HA -0.112 4.551 4.660 0.005 0.000 0.307 99 W C 2.163 178.700 176.519 0.030 0.000 1.200 99 W CA 1.537 58.829 57.345 -0.089 0.000 1.297 99 W CB -0.077 29.339 29.460 -0.074 0.000 1.140 99 W HN -0.075 nan 8.180 nan 0.000 0.507 100 I N 1.923 122.562 120.570 0.115 0.000 2.099 100 I HA -0.293 3.879 4.170 0.005 0.000 0.239 100 I C -0.313 175.761 176.117 -0.070 0.000 1.066 100 I CA 1.778 63.041 61.300 -0.063 0.000 1.324 100 I CB -2.019 35.968 38.000 -0.021 0.000 1.037 100 I HN -0.052 nan 8.210 nan 0.000 0.401 101 P HA -0.151 nan 4.420 nan 0.000 0.221 101 P C 1.883 179.149 177.300 -0.057 0.000 1.150 101 P CA 1.252 64.362 63.100 0.017 0.000 0.800 101 P CB 0.050 31.754 31.700 0.006 0.000 0.787 102 L N -0.006 121.173 121.223 -0.073 0.000 2.027 102 L HA -0.091 4.252 4.340 0.005 0.000 0.206 102 L C 2.556 179.382 176.870 -0.072 0.000 1.074 102 L CA 1.595 56.407 54.840 -0.047 0.000 0.745 102 L CB -1.166 40.885 42.059 -0.013 0.000 0.898 102 L HN -0.244 nan 8.230 nan 0.000 0.433 103 V N -1.345 118.444 119.914 -0.208 0.000 2.343 103 V HA -0.264 3.859 4.120 0.005 0.000 0.247 103 V C 2.445 178.535 176.094 -0.007 0.000 1.051 103 V CA 1.592 63.793 62.300 -0.165 0.000 1.036 103 V CB -0.469 31.043 31.823 -0.518 0.000 0.654 103 V HN 0.309 nan 8.190 nan 0.000 0.451 104 V N 0.395 120.266 119.914 -0.073 0.000 2.343 104 V HA -0.258 3.865 4.120 0.005 0.000 0.247 104 V C 2.723 178.531 176.094 -0.477 0.000 1.051 104 V CA 2.010 64.147 62.300 -0.272 0.000 1.036 104 V CB -1.152 30.668 31.823 -0.006 0.000 0.654 104 V HN 0.562 nan 8.190 nan 0.000 0.451 105 A N -0.192 122.501 122.820 -0.211 0.000 1.978 105 A HA -0.191 4.132 4.320 0.005 0.000 0.220 105 A C 2.161 179.743 177.584 -0.004 0.000 1.170 105 A CA 1.858 53.832 52.037 -0.106 0.000 0.636 105 A CB -0.613 18.360 19.000 -0.045 0.000 0.810 105 A HN 0.529 nan 8.150 nan 0.000 0.448 106 I N -1.155 119.431 120.570 0.028 0.000 2.335 106 I HA -0.299 3.874 4.170 0.005 0.000 0.251 106 I C 2.326 178.552 176.117 0.181 0.000 1.129 106 I CA 1.819 63.205 61.300 0.143 0.000 1.402 106 I CB -0.246 37.861 38.000 0.179 0.000 1.069 106 I HN 0.752 nan 8.210 nan 0.000 0.424 107 Y N -2.961 117.432 120.300 0.154 0.000 2.535 107 Y HA 0.083 4.636 4.550 0.004 0.000 0.266 107 Y C 2.244 178.222 175.900 0.130 0.000 1.088 107 Y CA -0.213 57.969 58.100 0.137 0.000 1.285 107 Y CB -1.069 37.478 38.460 0.144 0.000 1.166 107 Y HN -0.016 nan 8.280 nan 0.000 0.525 108 Y N 1.524 121.605 120.300 -0.365 0.000 2.181 108 Y HA -0.164 4.389 4.550 0.004 0.000 0.288 108 Y C 2.255 178.105 175.900 -0.083 0.000 1.146 108 Y CA 2.116 60.089 58.100 -0.211 0.000 1.164 108 Y CB -0.181 38.103 38.460 -0.294 0.000 0.982 108 Y HN 0.031 nan 8.280 nan 0.000 0.515 109 V N -0.586 119.454 119.914 0.210 0.000 2.490 109 V HA -0.298 3.825 4.120 0.005 0.000 0.250 109 V C 1.917 178.197 176.094 0.310 0.000 1.061 109 V CA 1.966 64.416 62.300 0.251 0.000 1.064 109 V CB -1.077 30.916 31.823 0.284 0.000 0.670 109 V HN 0.496 nan 8.190 nan 0.000 0.461 110 Y N 0.825 121.168 120.300 0.072 0.000 2.163 110 Y HA -0.171 4.382 4.550 0.005 0.000 0.288 110 Y C 2.250 177.702 175.900 -0.747 0.000 1.136 110 Y CA 1.340 59.321 58.100 -0.198 0.000 1.147 110 Y CB -0.377 37.867 38.460 -0.360 0.000 0.987 110 Y HN 0.191 nan 8.280 nan 0.000 0.509 111 I N 0.248 120.173 120.570 -1.074 0.000 2.208 111 I HA -0.320 3.853 4.170 0.005 0.000 0.245 111 I C 2.532 178.145 176.117 -0.839 0.000 1.097 111 I CA 1.969 62.256 61.300 -1.688 0.000 1.363 111 I CB -0.563 36.792 38.000 -1.075 0.000 1.051 111 I HN 0.296 nan 8.210 nan 0.000 0.413 112 E N 1.245 121.189 120.200 -0.428 0.000 2.118 112 E HA -0.274 4.079 4.350 0.005 0.000 0.195 112 E C 2.246 178.898 176.600 0.087 0.000 0.992 112 E CA 1.895 58.236 56.400 -0.100 0.000 0.804 112 E CB -0.015 29.687 29.700 0.003 0.000 0.741 112 E HN 0.562 nan 8.360 nan 0.000 0.458 113 S N -0.293 115.442 115.700 0.058 0.000 2.423 113 S HA -0.142 4.331 4.470 0.005 0.000 0.231 113 S C 1.659 176.411 174.600 0.253 0.000 1.014 113 S CA 0.810 59.134 58.200 0.206 0.000 0.965 113 S CB -0.667 62.780 63.200 0.411 0.000 0.785 113 S HN 0.427 nan 8.310 nan 0.000 0.495 114 W N 2.934 124.201 121.300 -0.056 0.000 2.358 114 W HA 0.001 4.664 4.660 0.004 0.000 0.303 114 W C 3.069 179.518 176.519 -0.117 0.000 1.208 114 W CA 1.379 58.617 57.345 -0.178 0.000 1.274 114 W CB -1.929 27.169 29.460 -0.604 0.000 1.138 114 W HN 0.611 nan 8.180 nan 0.000 0.515 115 T N -0.544 114.143 114.554 0.221 0.000 2.788 115 T HA -0.218 4.135 4.350 0.005 0.000 0.268 115 T C 1.949 176.729 174.700 0.133 0.000 1.044 115 T CA 1.538 63.738 62.100 0.167 0.000 1.139 115 T CB -0.810 68.151 68.868 0.155 0.000 0.867 115 T HN -0.010 nan 8.240 nan 0.000 0.454 116 L N 2.116 123.363 121.223 0.040 0.000 2.027 116 L HA 0.276 4.619 4.340 0.005 0.000 0.206 116 L C 2.756 179.673 176.870 0.080 0.000 1.074 116 L CA 2.127 56.842 54.840 -0.208 0.000 0.745 116 L CB -1.308 40.374 42.059 -0.627 0.000 0.898 116 L HN 0.381 nan 8.230 nan 0.000 0.433 117 G N -1.127 107.799 108.800 0.211 0.000 2.446 117 G HA2 -0.304 3.659 3.960 0.005 0.000 0.217 117 G HA3 -0.304 3.659 3.960 0.005 0.000 0.217 117 G C 1.441 176.656 174.900 0.525 0.000 1.168 117 G CA 0.963 46.317 45.100 0.424 0.000 0.771 117 G HN 0.387 nan 8.290 nan 0.000 0.551 118 F N 1.853 121.815 119.950 0.020 0.000 2.134 118 F HA 0.058 4.587 4.527 0.004 0.000 0.299 118 F C 3.040 178.970 175.800 0.218 0.000 1.097 118 F CA 0.644 58.621 58.000 -0.038 0.000 1.264 118 F CB -0.701 37.739 39.000 -0.934 0.000 1.001 118 F HN 0.250 nan 8.300 nan 0.000 0.479 119 A N 0.485 123.544 122.820 0.399 0.000 1.865 119 A HA -0.198 4.124 4.320 0.005 0.000 0.217 119 A C 2.303 180.253 177.584 0.611 0.000 1.191 119 A CA 2.008 54.380 52.037 0.557 0.000 0.623 119 A CB -1.195 18.067 19.000 0.437 0.000 0.826 119 A HN 0.362 nan 8.150 nan 0.000 0.444 120 I N -0.487 120.359 120.570 0.461 0.000 2.127 120 I HA -0.325 3.847 4.170 0.005 0.000 0.241 120 I C 2.534 178.837 176.117 0.311 0.000 1.075 120 I CA 2.007 63.538 61.300 0.384 0.000 1.334 120 I CB -0.347 37.924 38.000 0.452 0.000 1.040 120 I HN 0.294 nan 8.210 nan 0.000 0.405 121 K N 0.071 120.674 120.400 0.339 0.000 2.097 121 K HA -0.153 4.170 4.320 0.005 0.000 0.206 121 K C 2.079 178.766 176.600 0.145 0.000 1.049 121 K CA 1.518 57.912 56.287 0.178 0.000 0.933 121 K CB -0.248 32.375 32.500 0.205 0.000 0.717 121 K HN 0.123 nan 8.250 nan 0.000 0.442 122 F N 0.822 120.877 119.950 0.174 0.000 2.186 122 F HA -0.135 4.395 4.527 0.004 0.000 0.299 122 F C 2.112 178.008 175.800 0.161 0.000 1.090 122 F CA 0.642 58.767 58.000 0.208 0.000 1.307 122 F CB -0.359 38.877 39.000 0.394 0.000 1.019 122 F HN -0.044 nan 8.300 nan 0.000 0.489 123 L N -0.290 121.093 121.223 0.267 0.000 2.046 123 L HA -0.144 4.199 4.340 0.005 0.000 0.208 123 L C 1.894 178.746 176.870 -0.030 0.000 1.077 123 L CA 1.634 56.414 54.840 -0.100 0.000 0.747 123 L CB -0.657 41.185 42.059 -0.361 0.000 0.896 123 L HN -0.043 nan 8.230 nan 0.000 0.432 124 V N 0.084 120.004 119.914 0.010 0.000 3.623 124 V HA 0.265 4.387 4.120 0.005 0.000 0.271 124 V C 1.697 177.770 176.094 -0.035 0.000 1.248 124 V CA 0.742 63.032 62.300 -0.017 0.000 1.156 124 V CB -0.891 30.922 31.823 -0.017 0.000 0.870 124 V HN 0.725 nan 8.190 nan 0.000 0.453 125 G N 0.897 109.673 108.800 -0.039 0.000 2.143 125 G HA2 -0.267 3.696 3.960 0.005 0.000 0.248 125 G HA3 -0.267 3.696 3.960 0.005 0.000 0.248 125 G C 0.251 175.061 174.900 -0.150 0.000 0.991 125 G CA 0.197 45.245 45.100 -0.088 0.000 0.689 125 G HN 0.503 nan 8.290 nan 0.000 0.522 126 L N 1.069 122.200 121.223 -0.153 0.000 2.583 126 L HA 0.436 4.778 4.340 0.005 0.000 0.239 126 L C 0.949 177.684 176.870 -0.225 0.000 1.347 126 L CA -0.481 54.269 54.840 -0.150 0.000 1.246 126 L CB -0.118 41.871 42.059 -0.117 0.000 1.496 126 L HN 0.292 nan 8.230 nan 0.000 0.413 127 V N -1.652 118.027 119.914 -0.391 0.000 3.046 127 V HA 0.721 4.844 4.120 0.005 0.000 0.316 127 V C -2.356 173.396 176.094 -0.571 0.000 1.104 127 V CA -2.233 59.616 62.300 -0.752 0.000 1.006 127 V CB 1.445 32.666 31.823 -1.003 0.000 1.058 127 V HN 0.141 nan 8.190 nan 0.000 0.440 128 P HA 0.327 nan 4.420 nan 0.000 0.271 128 P C -0.805 176.224 177.300 -0.451 0.000 1.216 128 P CA 0.024 62.768 63.100 -0.593 0.000 0.776 128 P CB 0.564 31.751 31.700 -0.855 0.000 0.881 129 E N 3.363 123.420 120.200 -0.239 0.000 2.073 129 E HA 0.319 4.672 4.350 0.005 0.000 0.269 129 E C -2.064 174.503 176.600 -0.056 0.000 0.917 129 E CA -1.726 54.605 56.400 -0.114 0.000 0.757 129 E CB 0.516 30.169 29.700 -0.077 0.000 1.111 129 E HN 0.403 nan 8.360 nan 0.000 0.410 130 P HA 0.165 nan 4.420 nan 0.000 0.274 130 P C -2.446 174.886 177.300 0.052 0.000 1.237 130 P CA -1.339 61.803 63.100 0.071 0.000 0.793 130 P CB -0.157 31.648 31.700 0.175 0.000 0.977 131 P HA 0.166 nan 4.420 nan 0.000 0.266 131 P C -2.250 175.076 177.300 0.043 0.000 1.195 131 P CA -0.572 62.550 63.100 0.036 0.000 0.768 131 P CB -0.665 31.056 31.700 0.034 0.000 0.838 136 D N 5.536 125.967 120.400 0.052 0.000 2.412 136 D HA 0.284 4.926 4.640 0.005 0.000 0.257 136 D C -1.010 175.347 176.300 0.094 0.000 1.217 136 D CA -1.763 52.274 54.000 0.062 0.000 0.897 136 D CB 1.363 42.193 40.800 0.050 0.000 1.132 136 D HN 0.114 nan 8.370 nan 0.000 0.493 137 P HA -0.178 nan 4.420 nan 0.000 0.216 137 P C 0.816 178.212 177.300 0.160 0.000 1.153 137 P CA 0.972 64.196 63.100 0.207 0.000 0.858 137 P CB 0.354 32.225 31.700 0.285 0.000 0.789 138 D N -0.020 120.442 120.400 0.102 0.000 2.117 138 D HA -0.113 4.530 4.640 0.005 0.000 0.197 138 D C 2.148 178.493 176.300 0.075 0.000 0.987 138 D CA 1.901 55.943 54.000 0.069 0.000 0.829 138 D CB -0.358 40.468 40.800 0.043 0.000 0.961 138 D HN 0.268 nan 8.370 nan 0.000 0.460 139 S N -0.192 115.555 115.700 0.077 0.000 2.481 139 S HA -0.042 4.431 4.470 0.005 0.000 0.231 139 S C 2.094 176.757 174.600 0.105 0.000 0.996 139 S CA 0.358 58.602 58.200 0.073 0.000 0.942 139 S CB -0.272 62.963 63.200 0.059 0.000 0.768 139 S HN 0.234 nan 8.310 nan 0.000 0.520 140 I N 0.489 121.142 120.570 0.138 0.000 2.628 140 I HA 0.088 4.261 4.170 0.005 0.000 0.255 140 I C 2.237 178.513 176.117 0.265 0.000 1.119 140 I CA 0.564 61.981 61.300 0.194 0.000 1.448 140 I CB -0.188 37.916 38.000 0.173 0.000 1.133 140 I HN 0.217 nan 8.210 nan 0.000 0.438 141 L N 0.323 121.664 121.223 0.196 0.000 2.109 141 L HA -0.099 4.243 4.340 0.005 0.000 0.207 141 L C 2.732 179.713 176.870 0.186 0.000 1.086 141 L CA 1.042 55.990 54.840 0.180 0.000 0.760 141 L CB -0.488 41.620 42.059 0.081 0.000 0.910 141 L HN 0.166 nan 8.230 nan 0.000 0.437 142 R N 0.379 120.947 120.500 0.113 0.000 2.083 142 R HA -0.177 4.165 4.340 0.005 0.000 0.237 142 R C -0.388 175.945 176.300 0.054 0.000 1.137 142 R CA 1.887 58.016 56.100 0.049 0.000 0.951 142 R CB -1.162 29.152 30.300 0.024 0.000 0.851 142 R HN 0.229 nan 8.270 nan 0.000 0.434 143 P HA -0.142 nan 4.420 nan 0.000 0.218 143 P C 0.686 177.951 177.300 -0.059 0.000 1.148 143 P CA 1.426 64.506 63.100 -0.033 0.000 0.822 143 P CB -0.087 31.546 31.700 -0.112 0.000 0.784 144 F N -0.148 119.848 119.950 0.077 0.000 2.234 144 F HA -0.010 4.520 4.527 0.005 0.000 0.296 144 F C 2.440 178.360 175.800 0.200 0.000 1.089 144 F CA 1.131 59.223 58.000 0.155 0.000 1.343 144 F CB -0.545 38.547 39.000 0.153 0.000 1.040 144 F HN -0.190 nan 8.300 nan 0.000 0.498 145 K N 0.868 121.398 120.400 0.216 0.000 2.026 145 K HA -0.211 4.112 4.320 0.005 0.000 0.208 145 K C 1.833 178.345 176.600 -0.147 0.000 1.048 145 K CA 1.911 58.170 56.287 -0.046 0.000 0.929 145 K CB -0.162 32.196 32.500 -0.237 0.000 0.713 145 K HN 0.258 nan 8.250 nan 0.000 0.439 146 E N -0.376 119.785 120.200 -0.064 0.000 2.110 146 E HA -0.202 4.151 4.350 0.005 0.000 0.193 146 E C 1.831 178.501 176.600 0.116 0.000 0.988 146 E CA 1.164 57.563 56.400 -0.002 0.000 0.804 146 E CB -0.194 29.506 29.700 0.000 0.000 0.745 146 E HN 0.319 nan 8.360 nan 0.000 0.458 147 F N 1.355 121.306 119.950 0.000 0.000 2.102 147 F HA -0.214 4.316 4.527 0.005 0.000 0.298 147 F C 2.127 178.001 175.800 0.123 0.000 1.105 147 F CA 1.156 59.153 58.000 -0.006 0.000 1.239 147 F CB -0.150 38.790 39.000 -0.100 0.000 0.991 147 F HN 0.003 nan 8.300 nan 0.000 0.474 148 L N -0.595 120.882 121.223 0.423 0.000 2.056 148 L HA -0.206 4.136 4.340 0.005 0.000 0.207 148 L C 2.080 179.095 176.870 0.243 0.000 1.078 148 L CA 1.808 56.894 54.840 0.410 0.000 0.749 148 L CB -1.286 41.062 42.059 0.481 0.000 0.901 148 L HN 0.152 nan 8.230 nan 0.000 0.433 149 Y N -0.216 120.093 120.300 0.015 0.000 2.224 149 Y HA -0.133 4.420 4.550 0.005 0.000 0.289 149 Y C 2.830 178.686 175.900 -0.073 0.000 1.146 149 Y CA 1.202 59.278 58.100 -0.042 0.000 1.182 149 Y CB -1.073 37.384 38.460 -0.005 0.000 0.983 149 Y HN 0.241 nan 8.280 nan 0.000 0.524 150 S N -1.289 114.463 115.700 0.087 0.000 2.428 150 S HA -0.160 4.312 4.470 0.005 0.000 0.230 150 S C 1.774 176.325 174.600 -0.082 0.000 1.014 150 S CA 0.664 58.850 58.200 -0.023 0.000 0.957 150 S CB -0.478 62.688 63.200 -0.056 0.000 0.784 150 S HN 0.553 nan 8.310 nan 0.000 0.499 151 Y N 2.645 122.805 120.300 -0.233 0.000 2.153 151 Y HA 0.003 4.556 4.550 0.005 0.000 0.289 151 Y C 1.964 177.700 175.900 -0.272 0.000 1.127 151 Y CA 1.570 59.517 58.100 -0.255 0.000 1.131 151 Y CB -0.132 38.172 38.460 -0.260 0.000 0.995 151 Y HN 0.302 nan 8.280 nan 0.000 0.505 152 I N -2.874 117.579 120.570 -0.195 0.000 3.226 152 I HA 0.352 4.525 4.170 0.005 0.000 0.277 152 I C 1.326 177.292 176.117 -0.253 0.000 1.243 152 I CA 0.820 61.910 61.300 -0.351 0.000 1.459 152 I CB -0.334 37.261 38.000 -0.674 0.000 1.093 152 I HN 0.276 nan 8.210 nan 0.000 0.453 153 G N 2.416 111.096 108.800 -0.199 0.000 2.303 153 G HA2 -0.181 3.782 3.960 0.005 0.000 0.260 153 G HA3 -0.181 3.782 3.960 0.005 0.000 0.260 153 G C 0.004 174.806 174.900 -0.163 0.000 1.106 153 G CA 0.041 45.049 45.100 -0.153 0.000 0.900 153 G HN 0.277 nan 8.290 nan 0.000 0.495 154 V N 0.866 120.646 119.914 -0.224 0.000 2.720 154 V HA 0.156 4.278 4.120 0.005 0.000 0.307 154 V C -0.849 175.153 176.094 -0.153 0.000 1.071 154 V CA -0.258 61.870 62.300 -0.287 0.000 1.199 154 V CB 0.511 31.954 31.823 -0.634 0.000 0.900 154 V HN 0.384 nan 8.190 nan 0.000 0.494 155 P HA 0.107 nan 4.420 nan 0.000 0.264 155 P C 0.191 177.467 177.300 -0.041 0.000 1.193 155 P CA 0.168 63.222 63.100 -0.077 0.000 0.763 155 P CB 0.337 31.984 31.700 -0.089 0.000 0.810 156 K N 1.296 121.687 120.400 -0.015 0.000 2.353 156 K HA 0.223 4.545 4.320 0.005 0.000 0.195 156 K C 1.170 177.774 176.600 0.008 0.000 1.031 156 K CA 0.085 56.377 56.287 0.010 0.000 1.079 156 K CB 0.658 33.169 32.500 0.017 0.000 0.857 156 K HN 0.574 nan 8.250 nan 0.000 0.535 157 G N 0.299 109.098 108.800 -0.002 0.000 3.264 157 G HA2 0.053 4.016 3.960 0.005 0.000 0.168 157 G HA3 0.053 4.016 3.960 0.005 0.000 0.168 157 G C -0.270 174.627 174.900 -0.005 0.000 1.145 157 G CA -0.274 44.828 45.100 0.003 0.000 0.855 157 G HN -0.126 nan 8.290 nan 0.000 0.629 158 D N 0.267 120.670 120.400 0.005 0.000 2.277 158 D HA 0.061 4.704 4.640 0.005 0.000 0.209 158 D C 0.383 176.676 176.300 -0.012 0.000 0.970 158 D CA 0.474 54.479 54.000 0.008 0.000 0.874 158 D CB 0.535 41.359 40.800 0.041 0.000 0.982 158 D HN 0.404 nan 8.370 nan 0.000 0.504 159 E N 2.310 122.507 120.200 -0.004 0.000 2.384 159 E HA 0.068 4.421 4.350 0.005 0.000 0.266 159 E C -2.007 174.545 176.600 -0.080 0.000 1.012 159 E CA -1.282 55.112 56.400 -0.010 0.000 0.901 159 E CB 0.885 30.597 29.700 0.020 0.000 0.967 159 E HN 0.032 nan 8.360 nan 0.000 0.435 160 P HA 0.139 nan 4.420 nan 0.000 0.220 160 P C -0.839 176.389 177.300 -0.120 0.000 1.778 160 P CA 0.184 63.158 63.100 -0.210 0.000 0.912 160 P CB -0.079 31.393 31.700 -0.380 0.000 1.861 161 I N 1.535 122.063 120.570 -0.069 0.000 2.406 161 I HA 0.323 4.496 4.170 0.005 0.000 0.290 161 I C 0.505 176.607 176.117 -0.026 0.000 0.999 161 I CA -1.238 60.050 61.300 -0.020 0.000 1.124 161 I CB 1.902 39.909 38.000 0.012 0.000 1.289 161 I HN -0.039 nan 8.210 nan 0.000 0.441 162 L N 6.144 127.356 121.223 -0.019 0.000 2.343 162 L HA 0.474 4.816 4.340 0.005 0.000 0.275 162 L C 0.590 177.431 176.870 -0.049 0.000 1.056 162 L CA -0.517 54.277 54.840 -0.078 0.000 0.804 162 L CB 0.999 42.972 42.059 -0.144 0.000 1.203 162 L HN 0.386 nan 8.230 nan 0.000 0.440 163 K N 3.646 123.990 120.400 -0.094 0.000 2.687 163 K HA 0.369 4.691 4.320 0.005 0.000 0.197 163 K C -2.619 173.889 176.600 -0.152 0.000 1.049 163 K CA -1.758 54.492 56.287 -0.062 0.000 1.030 163 K CB 1.380 33.880 32.500 -0.000 0.000 1.261 163 K HN 0.171 nan 8.250 nan 0.000 0.565 164 P HA -0.016 nan 4.420 nan 0.000 0.268 164 P C -0.032 177.159 177.300 -0.182 0.000 1.205 164 P CA 0.043 62.986 63.100 -0.261 0.000 0.771 164 P CB 0.590 32.108 31.700 -0.303 0.000 0.858 165 S N 2.598 118.168 115.700 -0.216 0.000 2.569 165 S HA -0.027 4.446 4.470 0.005 0.000 0.274 165 S C 1.217 175.775 174.600 -0.069 0.000 1.353 165 S CA -0.478 57.637 58.200 -0.141 0.000 1.023 165 S CB 0.000 63.099 63.200 -0.169 0.000 0.876 165 S HN 0.391 nan 8.310 nan 0.000 0.540 166 L N 1.567 122.795 121.223 0.008 0.000 2.042 166 L HA 0.009 4.352 4.340 0.005 0.000 0.210 166 L C 2.021 178.975 176.870 0.140 0.000 1.076 166 L CA 1.882 56.770 54.840 0.081 0.000 0.749 166 L CB -1.221 40.886 42.059 0.080 0.000 0.893 166 L HN 0.836 nan 8.230 nan 0.000 0.432 167 F N 0.440 120.368 119.950 -0.037 0.000 2.126 167 F HA -0.182 4.348 4.527 0.004 0.000 0.299 167 F C 2.321 178.095 175.800 -0.042 0.000 1.096 167 F CA 1.507 59.497 58.000 -0.016 0.000 1.255 167 F CB -0.775 38.213 39.000 -0.020 0.000 0.997 167 F HN 0.168 nan 8.300 nan 0.000 0.479 168 A N -0.920 121.702 122.820 -0.329 0.000 1.933 168 A HA -0.260 4.063 4.320 0.005 0.000 0.218 168 A C 2.130 179.672 177.584 -0.071 0.000 1.175 168 A CA 1.764 53.483 52.037 -0.530 0.000 0.628 168 A CB -1.575 16.828 19.000 -0.996 0.000 0.814 168 A HN 0.610 nan 8.150 nan 0.000 0.444 169 Y N 0.140 120.384 120.300 -0.093 0.000 2.184 169 Y HA -0.074 4.479 4.550 0.005 0.000 0.290 169 Y C 2.009 177.987 175.900 0.130 0.000 1.129 169 Y CA 1.604 59.737 58.100 0.055 0.000 1.144 169 Y CB -0.175 38.316 38.460 0.052 0.000 0.995 169 Y HN 0.248 nan 8.280 nan 0.000 0.513 170 I N -1.094 119.558 120.570 0.137 0.000 2.286 170 I HA -0.300 3.873 4.170 0.005 0.000 0.248 170 I C 2.147 178.222 176.117 -0.069 0.000 1.115 170 I CA 1.137 62.462 61.300 0.040 0.000 1.392 170 I CB -0.474 37.560 38.000 0.057 0.000 1.065 170 I HN 0.061 nan 8.210 nan 0.000 0.418 171 V N 0.474 120.282 119.914 -0.175 0.000 2.427 171 V HA -0.287 3.836 4.120 0.005 0.000 0.248 171 V C 2.253 178.372 176.094 0.042 0.000 1.051 171 V CA 1.727 63.935 62.300 -0.154 0.000 1.048 171 V CB -0.705 30.948 31.823 -0.284 0.000 0.666 171 V HN 0.368 nan 8.190 nan 0.000 0.456 172 F N 0.452 120.386 119.950 -0.027 0.000 2.102 172 F HA -0.178 4.351 4.527 0.005 0.000 0.298 172 F C 2.030 177.847 175.800 0.028 0.000 1.105 172 F CA 1.577 59.601 58.000 0.041 0.000 1.239 172 F CB -0.362 38.657 39.000 0.032 0.000 0.991 172 F HN 0.032 nan 8.300 nan 0.000 0.474 173 L N -0.098 121.056 121.223 -0.116 0.000 2.012 173 L HA -0.274 4.069 4.340 0.005 0.000 0.210 173 L C 2.479 179.266 176.870 -0.138 0.000 1.073 173 L CA 1.677 56.404 54.840 -0.188 0.000 0.748 173 L CB -0.645 41.344 42.059 -0.117 0.000 0.891 173 L HN 0.169 nan 8.230 nan 0.000 0.431 174 I N -1.029 119.503 120.570 -0.064 0.000 2.226 174 I HA -0.289 3.884 4.170 0.005 0.000 0.245 174 I C 2.442 178.606 176.117 0.078 0.000 1.100 174 I CA 1.524 62.839 61.300 0.023 0.000 1.374 174 I CB -0.613 37.393 38.000 0.010 0.000 1.057 174 I HN 0.256 nan 8.210 nan 0.000 0.413 175 T N 0.802 115.363 114.554 0.011 0.000 2.746 175 T HA -0.158 4.195 4.350 0.005 0.000 0.267 175 T C 1.971 176.644 174.700 -0.044 0.000 1.039 175 T CA 1.256 63.393 62.100 0.061 0.000 1.142 175 T CB -0.120 68.812 68.868 0.107 0.000 0.866 175 T HN 0.152 nan 8.240 nan 0.000 0.444 176 M N 0.510 119.976 119.600 -0.223 0.000 2.117 176 M HA 0.015 4.498 4.480 0.005 0.000 0.262 176 M C 2.119 178.355 176.300 -0.107 0.000 1.065 176 M CA 1.316 56.479 55.300 -0.228 0.000 1.114 176 M CB -1.318 31.066 32.600 -0.360 0.000 1.361 176 M HN 0.288 nan 8.290 nan 0.000 0.408 177 F N 1.290 121.129 119.950 -0.185 0.000 2.095 177 F HA -0.200 4.329 4.527 0.005 0.000 0.298 177 F C 2.140 177.879 175.800 -0.101 0.000 1.104 177 F CA 1.565 59.483 58.000 -0.137 0.000 1.232 177 F CB -0.413 38.518 39.000 -0.116 0.000 0.987 177 F HN 0.024 nan 8.300 nan 0.000 0.475 178 I N 0.479 120.961 120.570 -0.147 0.000 2.226 178 I HA -0.338 3.834 4.170 0.005 0.000 0.245 178 I C 2.278 178.201 176.117 -0.322 0.000 1.100 178 I CA 1.403 62.564 61.300 -0.232 0.000 1.374 178 I CB -0.722 37.313 38.000 0.059 0.000 1.057 178 I HN 0.247 nan 8.210 nan 0.000 0.413 179 N N 0.581 119.143 118.700 -0.230 0.000 2.104 179 N HA -0.151 4.592 4.740 0.005 0.000 0.190 179 N C 1.984 177.340 175.510 -0.256 0.000 1.024 179 N CA 1.402 54.311 53.050 -0.235 0.000 0.853 179 N CB -0.119 38.282 38.487 -0.144 0.000 1.008 179 N HN 0.172 nan 8.380 nan 0.000 0.424 180 V N 1.733 121.487 119.914 -0.268 0.000 2.295 180 V HA -0.222 3.901 4.120 0.005 0.000 0.246 180 V C 2.620 178.516 176.094 -0.330 0.000 1.049 180 V CA 2.035 64.181 62.300 -0.258 0.000 1.024 180 V CB -0.730 30.959 31.823 -0.222 0.000 0.648 180 V HN 0.444 nan 8.190 nan 0.000 0.447 181 S N -0.026 115.369 115.700 -0.508 0.000 2.400 181 S HA -0.167 4.306 4.470 0.005 0.000 0.232 181 S C 1.890 176.295 174.600 -0.325 0.000 1.025 181 S CA 1.791 59.703 58.200 -0.481 0.000 0.993 181 S CB -0.620 62.175 63.200 -0.675 0.000 0.808 181 S HN 0.560 nan 8.310 nan 0.000 0.478 182 I N 1.069 121.433 120.570 -0.344 0.000 2.235 182 I HA -0.044 4.129 4.170 0.005 0.000 0.241 182 I C 2.454 178.438 176.117 -0.221 0.000 1.085 182 I CA 0.959 62.079 61.300 -0.301 0.000 1.378 182 I CB -0.370 37.369 38.000 -0.435 0.000 1.076 182 I HN 0.235 nan 8.210 nan 0.000 0.415 183 L N 0.330 121.428 121.223 -0.209 0.000 2.083 183 L HA -0.203 4.140 4.340 0.005 0.000 0.209 183 L C 2.520 179.295 176.870 -0.157 0.000 1.083 183 L CA 1.321 56.064 54.840 -0.163 0.000 0.752 183 L CB -0.328 41.655 42.059 -0.126 0.000 0.899 183 L HN 0.260 nan 8.230 nan 0.000 0.433 184 I N -0.381 120.093 120.570 -0.160 0.000 2.493 184 I HA -0.242 3.930 4.170 0.005 0.000 0.254 184 I C 2.410 178.443 176.117 -0.139 0.000 1.160 184 I CA 1.090 62.306 61.300 -0.139 0.000 1.445 184 I CB -0.030 37.889 38.000 -0.136 0.000 1.086 184 I HN 0.188 nan 8.210 nan 0.000 0.433 185 R N 0.839 121.250 120.500 -0.147 0.000 2.299 185 R HA 0.195 4.538 4.340 0.005 0.000 0.197 185 R C 0.984 177.189 176.300 -0.159 0.000 0.971 185 R CA 0.553 56.572 56.100 -0.134 0.000 1.030 185 R CB -0.019 30.212 30.300 -0.115 0.000 0.932 185 R HN 0.530 nan 8.270 nan 0.000 0.477 186 G N 0.728 109.412 108.800 -0.195 0.000 2.548 186 G HA2 -0.229 3.734 3.960 0.005 0.000 0.208 186 G HA3 -0.229 3.734 3.960 0.005 0.000 0.208 186 G C 0.359 175.049 174.900 -0.350 0.000 1.308 186 G CA -0.532 44.406 45.100 -0.270 0.000 0.924 186 G HN -0.052 nan 8.290 nan 0.000 0.540 187 I N 1.332 121.585 120.570 -0.528 0.000 2.162 187 I HA -0.062 4.111 4.170 0.005 0.000 0.238 187 I C 3.217 179.039 176.117 -0.491 0.000 1.076 187 I CA 2.933 63.770 61.300 -0.773 0.000 1.353 187 I CB -1.704 35.499 38.000 -1.327 0.000 1.063 187 I HN 0.862 nan 8.210 nan 0.000 0.408 188 S N 0.876 116.364 115.700 -0.354 0.000 2.362 188 S HA -0.077 4.396 4.470 0.005 0.000 0.221 188 S C 1.855 176.414 174.600 -0.068 0.000 1.032 188 S CA 0.592 58.708 58.200 -0.139 0.000 0.973 188 S CB -0.391 62.748 63.200 -0.103 0.000 0.849 188 S HN 0.362 nan 8.310 nan 0.000 0.465 189 K N 1.107 121.448 120.400 -0.099 0.000 2.400 189 K HA 0.241 4.564 4.320 0.005 0.000 0.194 189 K C 1.764 178.330 176.600 -0.057 0.000 1.033 189 K CA 0.533 56.784 56.287 -0.061 0.000 1.021 189 K CB 0.064 32.523 32.500 -0.067 0.000 0.808 189 K HN 0.521 nan 8.250 nan 0.000 0.505 190 G N 0.892 109.638 108.800 -0.091 0.000 2.598 190 G HA2 0.013 3.976 3.960 0.005 0.000 0.225 190 G HA3 0.013 3.976 3.960 0.005 0.000 0.225 190 G C 1.282 176.166 174.900 -0.026 0.000 1.631 190 G CA -0.263 44.785 45.100 -0.086 0.000 0.821 190 G HN -0.023 nan 8.290 nan 0.000 0.610 191 I N 0.917 121.454 120.570 -0.056 0.000 2.179 191 I HA -0.125 4.048 4.170 0.005 0.000 0.242 191 I C 2.679 178.888 176.117 0.155 0.000 1.088 191 I CA 1.661 62.988 61.300 0.045 0.000 1.357 191 I CB -0.129 37.857 38.000 -0.023 0.000 1.051 191 I HN 0.362 nan 8.210 nan 0.000 0.409 192 E N 1.175 121.479 120.200 0.172 0.000 2.047 192 E HA -0.211 4.141 4.350 0.005 0.000 0.191 192 E C 2.436 179.100 176.600 0.107 0.000 0.987 192 E CA 0.987 57.513 56.400 0.210 0.000 0.799 192 E CB 0.066 29.940 29.700 0.290 0.000 0.752 192 E HN 0.319 nan 8.360 nan 0.000 0.449 193 R N -0.454 120.096 120.500 0.083 0.000 2.081 193 R HA -0.154 4.189 4.340 0.005 0.000 0.235 193 R C 2.354 178.702 176.300 0.081 0.000 1.131 193 R CA 1.477 57.617 56.100 0.067 0.000 0.960 193 R CB -0.447 29.885 30.300 0.054 0.000 0.856 193 R HN 0.261 nan 8.270 nan 0.000 0.436 194 F N 1.319 121.241 119.950 -0.047 0.000 2.146 194 F HA -0.098 4.432 4.527 0.005 0.000 0.298 194 F C 2.263 178.007 175.800 -0.094 0.000 1.096 194 F CA 1.168 59.114 58.000 -0.090 0.000 1.275 194 F CB -0.413 38.502 39.000 -0.141 0.000 1.008 194 F HN -0.028 nan 8.300 nan 0.000 0.480 195 A N 0.275 123.046 122.820 -0.082 0.000 1.940 195 A HA -0.240 4.083 4.320 0.005 0.000 0.219 195 A C 2.252 179.734 177.584 -0.171 0.000 1.176 195 A CA 1.889 53.834 52.037 -0.153 0.000 0.631 195 A CB -0.734 18.255 19.000 -0.017 0.000 0.814 195 A HN 0.466 nan 8.150 nan 0.000 0.446 196 K N -0.900 119.436 120.400 -0.106 0.000 2.283 196 K HA 0.017 4.340 4.320 0.005 0.000 0.202 196 K C 1.508 178.056 176.600 -0.086 0.000 1.048 196 K CA 1.246 57.491 56.287 -0.070 0.000 0.948 196 K CB -0.197 32.289 32.500 -0.023 0.000 0.742 196 K HN 0.616 nan 8.250 nan 0.000 0.458 197 I N -0.297 120.175 120.570 -0.165 0.000 2.810 197 I HA -0.052 4.120 4.170 0.005 0.000 0.262 197 I C 2.327 178.346 176.117 -0.164 0.000 1.131 197 I CA 0.398 61.622 61.300 -0.127 0.000 1.453 197 I CB -0.111 37.828 38.000 -0.100 0.000 1.161 197 I HN -0.019 nan 8.210 nan 0.000 0.444 198 A N 1.122 123.635 122.820 -0.513 0.000 1.898 198 A HA -0.133 4.190 4.320 0.005 0.000 0.216 198 A C 2.322 179.854 177.584 -0.086 0.000 1.181 198 A CA 1.328 53.051 52.037 -0.523 0.000 0.620 198 A CB -0.345 17.844 19.000 -1.352 0.000 0.819 198 A HN 0.216 nan 8.150 nan 0.000 0.442 199 M N -0.571 118.964 119.600 -0.109 0.000 2.099 199 M HA -0.037 4.446 4.480 0.005 0.000 0.262 199 M C -0.418 175.940 176.300 0.098 0.000 1.067 199 M CA 1.299 56.604 55.300 0.009 0.000 1.124 199 M CB -2.483 30.103 32.600 -0.024 0.000 1.353 199 M HN 0.143 nan 8.290 nan 0.000 0.410 200 P HA -0.070 nan 4.420 nan 0.000 0.216 200 P C 1.519 178.938 177.300 0.198 0.000 1.153 200 P CA 1.463 64.651 63.100 0.147 0.000 0.848 200 P CB -0.320 31.433 31.700 0.088 0.000 0.787 201 T N 0.260 114.916 114.554 0.169 0.000 2.684 201 T HA -0.175 4.178 4.350 0.005 0.000 0.267 201 T C 1.763 176.557 174.700 0.156 0.000 1.036 201 T CA 1.081 63.284 62.100 0.172 0.000 1.148 201 T CB -1.084 67.945 68.868 0.269 0.000 0.863 201 T HN 0.053 nan 8.240 nan 0.000 0.436 202 L N 0.002 121.349 121.223 0.207 0.000 2.012 202 L HA -0.098 4.245 4.340 0.005 0.000 0.210 202 L C 2.272 179.246 176.870 0.175 0.000 1.073 202 L CA 1.636 56.573 54.840 0.162 0.000 0.748 202 L CB -0.372 41.800 42.059 0.188 0.000 0.891 202 L HN 0.226 nan 8.230 nan 0.000 0.431 203 F N 0.486 120.486 119.950 0.083 0.000 2.102 203 F HA -0.245 4.285 4.527 0.005 0.000 0.298 203 F C 2.091 177.936 175.800 0.074 0.000 1.105 203 F CA 1.895 59.947 58.000 0.086 0.000 1.239 203 F CB -0.299 38.740 39.000 0.065 0.000 0.991 203 F HN -0.000 nan 8.300 nan 0.000 0.474 204 I N 0.022 120.572 120.570 -0.034 0.000 2.179 204 I HA -0.325 3.848 4.170 0.005 0.000 0.242 204 I C 2.414 178.470 176.117 -0.101 0.000 1.088 204 I CA 1.289 62.510 61.300 -0.133 0.000 1.357 204 I CB -0.587 37.415 38.000 0.003 0.000 1.051 204 I HN 0.183 nan 8.210 nan 0.000 0.409 205 L N 0.393 121.584 121.223 -0.053 0.000 2.046 205 L HA -0.223 4.120 4.340 0.005 0.000 0.208 205 L C 2.836 179.702 176.870 -0.007 0.000 1.077 205 L CA 1.424 56.239 54.840 -0.042 0.000 0.747 205 L CB -0.739 41.272 42.059 -0.080 0.000 0.896 205 L HN 0.261 nan 8.230 nan 0.000 0.432 206 A N -0.457 122.336 122.820 -0.045 0.000 1.898 206 A HA -0.136 4.186 4.320 0.005 0.000 0.216 206 A C 2.333 179.886 177.584 -0.050 0.000 1.181 206 A CA 1.666 53.705 52.037 0.003 0.000 0.620 206 A CB -0.795 18.286 19.000 0.135 0.000 0.819 206 A HN 0.180 nan 8.150 nan 0.000 0.442 207 V N -1.186 118.611 119.914 -0.194 0.000 2.295 207 V HA -0.245 3.878 4.120 0.005 0.000 0.246 207 V C 2.276 178.287 176.094 -0.138 0.000 1.049 207 V CA 2.149 64.301 62.300 -0.248 0.000 1.024 207 V CB -0.957 30.595 31.823 -0.452 0.000 0.648 207 V HN 0.623 nan 8.190 nan 0.000 0.447 208 F N 0.291 120.125 119.950 -0.193 0.000 2.120 208 F HA -0.227 4.304 4.527 0.006 0.000 0.300 208 F C 2.021 177.737 175.800 -0.141 0.000 1.095 208 F CA 1.781 59.696 58.000 -0.142 0.000 1.249 208 F CB -0.243 38.691 39.000 -0.109 0.000 0.995 208 F HN 0.037 nan 8.300 nan 0.000 0.480 209 L N -1.008 120.169 121.223 -0.077 0.000 2.093 209 L HA -0.193 4.150 4.340 0.005 0.000 0.208 209 L C 2.347 179.086 176.870 -0.218 0.000 1.085 209 L CA 0.767 55.519 54.840 -0.147 0.000 0.755 209 L CB -0.680 41.401 42.059 0.037 0.000 0.904 209 L HN -0.022 nan 8.230 nan 0.000 0.435 210 V N 0.229 119.997 119.914 -0.242 0.000 2.332 210 V HA -0.318 3.805 4.120 0.005 0.000 0.248 210 V C 2.290 177.993 176.094 -0.651 0.000 1.055 210 V CA 1.997 64.022 62.300 -0.459 0.000 1.038 210 V CB -0.374 31.151 31.823 -0.497 0.000 0.651 210 V HN 0.318 nan 8.190 nan 0.000 0.450 211 I N -0.320 119.964 120.570 -0.477 0.000 2.179 211 I HA -0.250 3.922 4.170 0.005 0.000 0.242 211 I C 2.721 178.680 176.117 -0.264 0.000 1.088 211 I CA 1.732 62.824 61.300 -0.347 0.000 1.357 211 I CB -0.435 37.398 38.000 -0.278 0.000 1.051 211 I HN 0.208 nan 8.210 nan 0.000 0.409 212 R N 1.026 121.285 120.500 -0.402 0.000 2.091 212 R HA -0.134 4.209 4.340 0.005 0.000 0.238 212 R C 2.086 178.310 176.300 -0.125 0.000 1.136 212 R CA 1.683 57.581 56.100 -0.337 0.000 0.959 212 R CB -0.867 29.116 30.300 -0.530 0.000 0.856 212 R HN 0.170 nan 8.270 nan 0.000 0.437 213 V N 0.283 120.152 119.914 -0.074 0.000 2.407 213 V HA -0.187 3.936 4.120 0.005 0.000 0.248 213 V C 1.899 178.146 176.094 0.255 0.000 1.055 213 V CA 1.547 63.907 62.300 0.100 0.000 1.049 213 V CB -0.645 31.240 31.823 0.103 0.000 0.662 213 V HN 0.212 nan 8.190 nan 0.000 0.455 214 F N -0.241 119.694 119.950 -0.024 0.000 2.333 214 F HA -0.033 4.499 4.527 0.008 0.000 0.300 214 F C 1.896 177.687 175.800 -0.015 0.000 1.083 214 F CA 0.743 58.736 58.000 -0.011 0.000 1.395 214 F CB -0.754 38.234 39.000 -0.019 0.000 1.056 214 F HN 0.140 nan 8.300 nan 0.000 0.529 215 L N -0.609 120.706 121.223 0.153 0.000 2.591 215 L HA 0.034 4.377 4.340 0.005 0.000 0.228 215 L C 0.490 177.396 176.870 0.061 0.000 1.133 215 L CA 0.014 54.896 54.840 0.069 0.000 0.880 215 L CB -0.289 41.782 42.059 0.020 0.000 1.033 215 L HN -0.127 nan 8.230 nan 0.000 0.450 216 L N 0.933 122.216 121.223 0.100 0.000 2.360 216 L HA 0.199 4.542 4.340 0.005 0.000 0.276 216 L C 0.114 177.005 176.870 0.036 0.000 1.121 216 L CA 0.409 55.322 54.840 0.122 0.000 0.845 216 L CB 0.637 42.846 42.059 0.250 0.000 1.143 216 L HN 0.108 nan 8.230 nan 0.000 0.452 217 E N 2.286 122.461 120.200 -0.042 0.000 2.290 217 E HA 0.456 4.808 4.350 0.005 0.000 0.274 217 E C -1.129 175.326 176.600 -0.241 0.000 0.889 217 E CA -0.469 55.861 56.400 -0.116 0.000 0.760 217 E CB 2.140 31.793 29.700 -0.079 0.000 1.206 217 E HN 0.662 nan 8.360 nan 0.000 0.419 218 T N 0.135 114.502 114.554 -0.312 0.000 2.831 218 T HA 0.487 4.840 4.350 0.005 0.000 0.287 218 T C -2.167 172.384 174.700 -0.248 0.000 1.070 218 T CA -1.608 60.254 62.100 -0.397 0.000 1.010 218 T CB 1.311 69.755 68.868 -0.707 0.000 1.264 218 T HN 0.172 nan 8.240 nan 0.000 0.532 219 P HA 0.078 nan 4.420 nan 0.000 0.228 219 P C 0.902 178.122 177.300 -0.133 0.000 1.151 219 P CA 0.612 63.624 63.100 -0.147 0.000 0.770 219 P CB 0.017 31.641 31.700 -0.127 0.000 0.786 220 N N -1.066 117.532 118.700 -0.171 0.000 2.392 220 N HA 0.148 4.891 4.740 0.005 0.000 0.177 220 N C 1.116 176.564 175.510 -0.103 0.000 1.066 220 N CA 1.009 53.983 53.050 -0.126 0.000 0.895 220 N CB 0.722 39.127 38.487 -0.137 0.000 0.988 220 N HN 0.165 nan 8.380 nan 0.000 0.457 221 G N -0.524 108.202 108.800 -0.123 0.000 2.343 221 G HA2 0.179 4.142 3.960 0.005 0.000 0.289 221 G HA3 0.179 4.142 3.960 0.005 0.000 0.289 221 G C -1.140 173.709 174.900 -0.085 0.000 1.295 221 G CA -0.288 44.761 45.100 -0.085 0.000 0.869 221 G HN 0.142 nan 8.290 nan 0.000 0.522 222 T N -2.614 111.908 114.554 -0.054 0.000 2.927 222 T HA 0.737 5.090 4.350 0.005 0.000 0.286 222 T C 1.648 176.337 174.700 -0.018 0.000 1.040 222 T CA 0.716 62.790 62.100 -0.043 0.000 1.010 222 T CB 1.597 70.432 68.868 -0.055 0.000 1.177 222 T HN 2.001 nan 8.240 nan 0.000 0.546 223 A N 0.486 123.299 122.820 -0.011 0.000 1.972 223 A HA 0.221 4.543 4.320 0.005 0.000 0.219 223 A C 2.542 180.076 177.584 -0.083 0.000 1.169 223 A CA 1.870 53.905 52.037 -0.003 0.000 0.635 223 A CB -1.531 17.491 19.000 0.036 0.000 0.810 223 A HN 1.295 nan 8.150 nan 0.000 0.446 224 A N 0.124 122.862 122.820 -0.137 0.000 1.972 224 A HA -0.185 4.138 4.320 0.005 0.000 0.219 224 A C 1.702 179.268 177.584 -0.030 0.000 1.169 224 A CA 1.777 53.735 52.037 -0.131 0.000 0.635 224 A CB -0.500 18.423 19.000 -0.129 0.000 0.810 224 A HN 0.484 nan 8.150 nan 0.000 0.446 225 D N -0.201 120.193 120.400 -0.010 0.000 2.144 225 D HA -0.092 4.550 4.640 0.005 0.000 0.199 225 D C 2.042 178.390 176.300 0.080 0.000 0.984 225 D CA 1.429 55.445 54.000 0.027 0.000 0.834 225 D CB -0.633 40.169 40.800 0.003 0.000 0.955 225 D HN 0.456 nan 8.370 nan 0.000 0.465 226 G N 0.808 109.654 108.800 0.077 0.000 2.402 226 G HA2 -0.165 3.798 3.960 0.005 0.000 0.216 226 G HA3 -0.165 3.798 3.960 0.005 0.000 0.216 226 G C 1.820 176.842 174.900 0.203 0.000 1.162 226 G CA 0.178 45.361 45.100 0.140 0.000 0.777 226 G HN 0.236 nan 8.290 nan 0.000 0.539 227 L N 0.520 121.840 121.223 0.163 0.000 2.056 227 L HA -0.066 4.277 4.340 0.005 0.000 0.207 227 L C 2.720 179.758 176.870 0.281 0.000 1.078 227 L CA 0.812 55.808 54.840 0.260 0.000 0.749 227 L CB -0.445 41.710 42.059 0.160 0.000 0.901 227 L HN 0.119 nan 8.230 nan 0.000 0.433 228 N N 0.105 118.910 118.700 0.174 0.000 2.120 228 N HA -0.231 4.511 4.740 0.005 0.000 0.188 228 N C 1.718 177.317 175.510 0.149 0.000 1.024 228 N CA 1.353 54.493 53.050 0.151 0.000 0.852 228 N CB -0.466 38.080 38.487 0.098 0.000 1.003 228 N HN 0.238 nan 8.380 nan 0.000 0.424 229 F N 1.502 121.460 119.950 0.014 0.000 2.134 229 F HA -0.108 4.420 4.527 0.002 0.000 0.299 229 F C 2.043 177.793 175.800 -0.083 0.000 1.097 229 F CA 0.872 58.852 58.000 -0.034 0.000 1.264 229 F CB -0.428 38.543 39.000 -0.048 0.000 1.001 229 F HN -0.020 nan 8.300 nan 0.000 0.479 230 L N -1.327 119.725 121.223 -0.286 0.000 2.240 230 L HA -0.043 4.300 4.340 0.005 0.000 0.211 230 L C 0.974 177.467 176.870 -0.627 0.000 1.106 230 L CA 1.623 56.111 54.840 -0.586 0.000 0.793 230 L CB -0.682 41.097 42.059 -0.466 0.000 0.927 230 L HN 0.272 nan 8.230 nan 0.000 0.446 231 W N -1.145 120.080 121.300 -0.125 0.000 3.005 231 W HA 0.307 4.968 4.660 0.002 0.000 0.374 231 W C 0.286 176.749 176.519 -0.093 0.000 1.076 231 W CA -0.368 56.926 57.345 -0.084 0.000 1.794 231 W CB 0.230 29.672 29.460 -0.030 0.000 1.113 231 W HN -0.209 nan 8.180 nan 0.000 0.584 232 T N 2.493 117.061 114.554 0.023 0.000 2.743 232 T HA 0.266 4.618 4.350 0.005 0.000 0.292 232 T C -2.399 172.220 174.700 -0.135 0.000 0.972 232 T CA -1.519 60.572 62.100 -0.015 0.000 0.967 232 T CB 1.143 70.014 68.868 0.005 0.000 0.926 232 T HN -0.424 nan 8.240 nan 0.000 0.459 233 P HA 0.256 nan 4.420 nan 0.000 0.271 233 P C -0.675 176.345 177.300 -0.467 0.000 1.216 233 P CA -0.318 62.522 63.100 -0.433 0.000 0.776 233 P CB 0.517 31.821 31.700 -0.661 0.000 0.881 234 D N 1.831 121.935 120.400 -0.493 0.000 2.469 234 D HA 0.213 4.855 4.640 0.005 0.000 0.251 234 D C -0.182 175.924 176.300 -0.322 0.000 1.173 234 D CA -0.471 53.346 54.000 -0.305 0.000 0.882 234 D CB 0.395 41.102 40.800 -0.156 0.000 1.129 234 D HN 0.100 nan 8.370 nan 0.000 0.549 235 F N 1.419 121.378 119.950 0.014 0.000 2.780 235 F HA 0.144 4.672 4.527 0.001 0.000 0.299 235 F C 2.078 177.903 175.800 0.043 0.000 1.146 235 F CA 0.215 58.232 58.000 0.030 0.000 1.428 235 F CB 0.203 39.226 39.000 0.038 0.000 1.115 235 F HN 0.382 nan 8.300 nan 0.000 0.583 236 E N 0.192 120.487 120.200 0.160 0.000 2.285 236 E HA -0.088 4.265 4.350 0.005 0.000 0.194 236 E C 1.741 178.397 176.600 0.094 0.000 0.997 236 E CA 0.476 56.947 56.400 0.119 0.000 0.845 236 E CB 0.015 29.767 29.700 0.087 0.000 0.782 236 E HN 0.239 nan 8.360 nan 0.000 0.491 237 K N 0.517 120.950 120.400 0.054 0.000 2.459 237 K HA 0.050 4.373 4.320 0.005 0.000 0.193 237 K C 1.836 178.479 176.600 0.071 0.000 1.030 237 K CA 0.190 56.498 56.287 0.036 0.000 1.026 237 K CB 0.216 32.698 32.500 -0.030 0.000 0.809 237 K HN 0.209 nan 8.250 nan 0.000 0.504 238 L N 0.434 121.735 121.223 0.129 0.000 2.362 238 L HA -0.135 4.207 4.340 0.005 0.000 0.219 238 L C 1.661 178.800 176.870 0.449 0.000 1.134 238 L CA 0.969 55.982 54.840 0.288 0.000 0.807 238 L CB -0.145 42.109 42.059 0.324 0.000 0.927 238 L HN -0.055 nan 8.230 nan 0.000 0.447 239 K N -0.685 119.872 120.400 0.263 0.000 2.400 239 K HA 0.020 4.343 4.320 0.005 0.000 0.194 239 K C 0.436 177.153 176.600 0.195 0.000 1.033 239 K CA 0.184 56.593 56.287 0.202 0.000 1.021 239 K CB -0.024 32.555 32.500 0.131 0.000 0.808 239 K HN 0.047 nan 8.250 nan 0.000 0.505 240 D N 0.438 120.968 120.400 0.218 0.000 2.316 240 D HA 0.056 4.699 4.640 0.005 0.000 0.245 240 D C -1.955 174.516 176.300 0.286 0.000 1.171 240 D CA -1.971 52.145 54.000 0.193 0.000 0.856 240 D CB 1.548 42.426 40.800 0.129 0.000 1.090 240 D HN -0.092 nan 8.370 nan 0.000 0.476 241 P HA -0.029 nan 4.420 nan 0.000 0.218 241 P C 1.344 178.711 177.300 0.111 0.000 1.149 241 P CA 0.612 63.837 63.100 0.208 0.000 0.817 241 P CB 0.251 32.051 31.700 0.167 0.000 0.785 242 G N 0.010 108.857 108.800 0.079 0.000 2.440 242 G HA2 -0.239 3.723 3.960 0.005 0.000 0.218 242 G HA3 -0.239 3.723 3.960 0.005 0.000 0.218 242 G C 1.594 176.447 174.900 -0.077 0.000 1.154 242 G CA 0.777 45.808 45.100 -0.115 0.000 0.767 242 G HN 0.164 nan 8.290 nan 0.000 0.552 243 V N -0.510 119.411 119.914 0.011 0.000 2.343 243 V HA -0.163 3.960 4.120 0.005 0.000 0.247 243 V C 2.432 178.463 176.094 -0.105 0.000 1.051 243 V CA 1.715 63.997 62.300 -0.031 0.000 1.036 243 V CB -0.648 31.113 31.823 -0.103 0.000 0.654 243 V HN 0.570 nan 8.190 nan 0.000 0.451 244 W N -0.122 121.131 121.300 -0.079 0.000 2.358 244 W HA -0.073 4.590 4.660 0.005 0.000 0.303 244 W C 2.329 178.769 176.519 -0.132 0.000 1.208 244 W CA 1.067 58.362 57.345 -0.083 0.000 1.274 244 W CB -0.457 28.951 29.460 -0.086 0.000 1.138 244 W HN 0.147 nan 8.180 nan 0.000 0.515 245 I N 0.047 120.584 120.570 -0.055 0.000 2.226 245 I HA -0.323 3.850 4.170 0.005 0.000 0.245 245 I C 2.574 178.528 176.117 -0.271 0.000 1.100 245 I CA 1.447 62.513 61.300 -0.390 0.000 1.374 245 I CB -0.963 36.517 38.000 -0.867 0.000 1.057 245 I HN -0.030 nan 8.210 nan 0.000 0.413 246 A N 0.737 123.486 122.820 -0.118 0.000 1.877 246 A HA -0.173 4.150 4.320 0.005 0.000 0.216 246 A C 2.557 180.323 177.584 0.303 0.000 1.186 246 A CA 1.899 53.997 52.037 0.102 0.000 0.620 246 A CB -0.923 18.193 19.000 0.194 0.000 0.822 246 A HN 0.426 nan 8.150 nan 0.000 0.443 247 A N -0.578 122.319 122.820 0.129 0.000 1.883 247 A HA -0.040 4.282 4.320 0.005 0.000 0.217 247 A C 2.239 179.914 177.584 0.153 0.000 1.186 247 A CA 1.966 53.936 52.037 -0.112 0.000 0.624 247 A CB -0.983 17.736 19.000 -0.469 0.000 0.822 247 A HN 0.433 nan 8.150 nan 0.000 0.444 248 V N -0.145 119.903 119.914 0.222 0.000 2.358 248 V HA -0.137 3.986 4.120 0.005 0.000 0.246 248 V C 2.809 179.204 176.094 0.501 0.000 1.047 248 V CA 1.801 64.329 62.300 0.380 0.000 1.035 248 V CB -1.466 30.641 31.823 0.472 0.000 0.658 248 V HN 0.615 nan 8.190 nan 0.000 0.452 249 G N -0.668 108.366 108.800 0.389 0.000 2.440 249 G HA2 -0.355 3.608 3.960 0.005 0.000 0.218 249 G HA3 -0.355 3.608 3.960 0.005 0.000 0.218 249 G C 1.532 176.738 174.900 0.509 0.000 1.154 249 G CA 1.155 46.523 45.100 0.445 0.000 0.767 249 G HN 0.502 nan 8.290 nan 0.000 0.552 250 Q N 0.215 120.300 119.800 0.476 0.000 2.046 250 Q HA -0.033 4.310 4.340 0.005 0.000 0.200 250 Q C 2.472 178.788 176.000 0.527 0.000 0.975 250 Q CA 0.951 57.078 55.803 0.540 0.000 0.836 250 Q CB -0.364 28.792 28.738 0.697 0.000 0.896 250 Q HN 0.365 nan 8.270 nan 0.000 0.428 251 I N 0.111 120.913 120.570 0.387 0.000 2.151 251 I HA -0.267 3.906 4.170 0.005 0.000 0.243 251 I C 1.994 178.253 176.117 0.235 0.000 1.080 251 I CA 1.448 62.858 61.300 0.183 0.000 1.339 251 I CB -1.138 36.860 38.000 -0.002 0.000 1.039 251 I HN 0.222 nan 8.210 nan 0.000 0.409 252 F N 0.242 120.363 119.950 0.284 0.000 2.051 252 F HA -0.283 4.246 4.527 0.004 0.000 0.296 252 F C 2.548 178.626 175.800 0.463 0.000 1.122 252 F CA 1.920 60.111 58.000 0.318 0.000 1.201 252 F CB -0.892 38.284 39.000 0.294 0.000 0.978 252 F HN -0.072 nan 8.300 nan 0.000 0.472 253 F N 0.174 120.489 119.950 0.608 0.000 2.095 253 F HA -0.278 4.252 4.527 0.005 0.000 0.298 253 F C 2.749 178.726 175.800 0.296 0.000 1.104 253 F CA 2.196 60.531 58.000 0.558 0.000 1.232 253 F CB -0.859 38.419 39.000 0.463 0.000 0.987 253 F HN -0.093 nan 8.300 nan 0.000 0.475 254 T N -0.073 114.785 114.554 0.507 0.000 2.867 254 T HA -0.101 4.252 4.350 0.005 0.000 0.268 254 T C 1.744 176.511 174.700 0.111 0.000 1.057 254 T CA 1.383 63.667 62.100 0.307 0.000 1.136 254 T CB -0.331 68.718 68.868 0.302 0.000 0.874 254 T HN 0.244 nan 8.240 nan 0.000 0.466 255 L N 0.665 121.954 121.223 0.110 0.000 2.592 255 L HA 0.271 4.613 4.340 0.005 0.000 0.227 255 L C 0.957 177.830 176.870 0.004 0.000 1.127 255 L CA -0.010 54.855 54.840 0.042 0.000 0.884 255 L CB 0.034 42.114 42.059 0.035 0.000 1.065 255 L HN 0.142 nan 8.230 nan 0.000 0.457 256 S N 0.426 116.104 115.700 -0.037 0.000 3.635 256 S HA -0.154 4.318 4.470 0.005 0.000 0.328 256 S C 0.227 174.999 174.600 0.288 0.000 1.135 256 S CA 0.382 58.500 58.200 -0.136 0.000 0.942 256 S CB -1.841 61.171 63.200 -0.313 0.000 0.930 256 S HN 0.284 nan 8.310 nan 0.000 0.512 257 L N 0.385 121.850 121.223 0.403 0.000 2.334 257 L HA 0.605 4.948 4.340 0.005 0.000 0.277 257 L C 1.497 178.679 176.870 0.520 0.000 1.075 257 L CA 0.351 55.393 54.840 0.336 0.000 0.804 257 L CB 0.909 42.964 42.059 -0.006 0.000 1.174 257 L HN 0.427 nan 8.230 nan 0.000 0.438 258 G N 1.839 110.889 108.800 0.416 0.000 2.159 258 G HA2 -0.312 3.651 3.960 0.005 0.000 0.256 258 G HA3 -0.312 3.651 3.960 0.005 0.000 0.256 258 G C 0.287 175.253 174.900 0.110 0.000 0.977 258 G CA 0.178 45.504 45.100 0.376 0.000 0.652 258 G HN 0.569 nan 8.290 nan 0.000 0.531 259 F N 0.514 120.571 119.950 0.178 0.000 2.695 259 F HA 0.418 4.948 4.527 0.004 0.000 0.303 259 F C 2.108 177.897 175.800 -0.018 0.000 1.091 259 F CA 0.627 58.635 58.000 0.013 0.000 1.300 259 F CB 0.712 39.659 39.000 -0.088 0.000 1.071 259 F HN 0.579 nan 8.300 nan 0.000 0.578 260 G N 0.721 109.668 108.800 0.245 0.000 2.186 260 G HA2 -0.391 3.572 3.960 0.005 0.000 0.266 260 G HA3 -0.391 3.572 3.960 0.005 0.000 0.266 260 G C 1.285 176.238 174.900 0.088 0.000 0.982 260 G CA 0.625 45.830 45.100 0.175 0.000 0.670 260 G HN 0.535 nan 8.290 nan 0.000 0.533 261 A N -0.130 122.725 122.820 0.058 0.000 1.911 261 A HA 0.439 4.762 4.320 0.005 0.000 0.212 261 A C 2.313 179.798 177.584 -0.166 0.000 1.189 261 A CA 1.532 53.515 52.037 -0.090 0.000 0.639 261 A CB -0.174 18.694 19.000 -0.219 0.000 0.839 261 A HN 0.419 nan 8.150 nan 0.000 0.449 262 I N 0.359 120.852 120.570 -0.129 0.000 2.226 262 I HA -0.216 3.957 4.170 0.005 0.000 0.245 262 I C 2.383 178.416 176.117 -0.141 0.000 1.100 262 I CA 1.250 62.440 61.300 -0.184 0.000 1.374 262 I CB -1.099 36.837 38.000 -0.106 0.000 1.057 262 I HN 0.299 nan 8.210 nan 0.000 0.413 263 I N 0.645 121.195 120.570 -0.033 0.000 2.127 263 I HA -0.329 3.844 4.170 0.005 0.000 0.241 263 I C 2.528 178.643 176.117 -0.004 0.000 1.075 263 I CA 1.770 63.063 61.300 -0.011 0.000 1.334 263 I CB -0.613 37.413 38.000 0.043 0.000 1.040 263 I HN 0.201 nan 8.210 nan 0.000 0.405 264 T N -0.282 114.301 114.554 0.048 0.000 2.746 264 T HA -0.202 4.151 4.350 0.005 0.000 0.267 264 T C 1.825 176.652 174.700 0.213 0.000 1.039 264 T CA 1.376 63.527 62.100 0.085 0.000 1.142 264 T CB -0.375 68.588 68.868 0.159 0.000 0.866 264 T HN 0.174 nan 8.240 nan 0.000 0.444 265 Y N 1.554 121.918 120.300 0.108 0.000 2.165 265 Y HA -0.013 4.540 4.550 0.005 0.000 0.286 265 Y C 2.702 178.772 175.900 0.283 0.000 1.155 265 Y CA 0.283 58.581 58.100 0.331 0.000 1.164 265 Y CB -1.069 37.476 38.460 0.142 0.000 0.978 265 Y HN 0.213 nan 8.280 nan 0.000 0.513 266 A N -0.754 122.100 122.820 0.057 0.000 2.067 266 A HA -0.132 4.191 4.320 0.005 0.000 0.219 266 A C 2.341 179.950 177.584 0.042 0.000 1.158 266 A CA 1.531 53.526 52.037 -0.070 0.000 0.661 266 A CB -0.959 17.900 19.000 -0.235 0.000 0.801 266 A HN 0.457 nan 8.150 nan 0.000 0.452 267 S N -1.600 114.039 115.700 -0.101 0.000 2.555 267 S HA -0.065 4.408 4.470 0.005 0.000 0.230 267 S C 1.133 175.463 174.600 -0.450 0.000 0.978 267 S CA 0.783 58.810 58.200 -0.288 0.000 0.934 267 S CB -0.652 62.285 63.200 -0.438 0.000 0.766 267 S HN 0.586 nan 8.310 nan 0.000 0.533 268 Y N 0.895 121.199 120.300 0.006 0.000 2.458 268 Y HA 0.469 5.022 4.550 0.004 0.000 0.256 268 Y C 0.612 176.632 175.900 0.200 0.000 1.159 268 Y CA -0.852 57.136 58.100 -0.187 0.000 1.261 268 Y CB 0.013 38.019 38.460 -0.756 0.000 1.119 268 Y HN 0.077 nan 8.280 nan 0.000 0.524 269 V N 2.499 122.706 119.914 0.488 0.000 2.555 269 V HA 0.115 4.238 4.120 0.005 0.000 0.286 269 V C 0.670 176.973 176.094 0.349 0.000 1.044 269 V CA -0.954 61.641 62.300 0.492 0.000 1.026 269 V CB 0.575 32.631 31.823 0.388 0.000 0.981 269 V HN 0.244 nan 8.190 nan 0.000 0.480 270 R N 3.074 123.717 120.500 0.237 0.000 2.734 270 R HA 0.053 4.396 4.340 0.005 0.000 0.266 270 R C 1.539 177.884 176.300 0.075 0.000 1.044 270 R CA -0.232 55.883 56.100 0.024 0.000 1.128 270 R CB 0.495 30.707 30.300 -0.147 0.000 1.010 270 R HN 0.630 nan 8.270 nan 0.000 0.461 271 K N 1.694 122.119 120.400 0.043 0.000 2.160 271 K HA -0.208 4.115 4.320 0.005 0.000 0.206 271 K C 1.080 177.715 176.600 0.058 0.000 1.047 271 K CA 2.164 58.486 56.287 0.058 0.000 0.930 271 K CB 0.064 32.583 32.500 0.031 0.000 0.720 271 K HN 0.672 nan 8.250 nan 0.000 0.450 272 D N -0.500 119.921 120.400 0.034 0.000 2.305 272 D HA -0.128 4.515 4.640 0.005 0.000 0.206 272 D C 0.522 176.846 176.300 0.040 0.000 0.974 272 D CA 0.093 54.111 54.000 0.029 0.000 0.871 272 D CB -0.097 40.708 40.800 0.009 0.000 0.947 272 D HN 0.222 nan 8.370 nan 0.000 0.516 273 Q N 1.720 121.557 119.800 0.062 0.000 2.332 273 Q HA -0.007 4.336 4.340 0.005 0.000 0.263 273 Q C 0.043 176.096 176.000 0.088 0.000 0.979 273 Q CA -0.380 55.470 55.803 0.078 0.000 0.885 273 Q CB 0.934 29.742 28.738 0.117 0.000 1.218 273 Q HN 0.150 nan 8.270 nan 0.000 0.405 274 D N 3.220 123.651 120.400 0.052 0.000 2.472 274 D HA -0.067 4.575 4.640 0.005 0.000 0.237 274 D C 0.465 176.789 176.300 0.041 0.000 1.141 274 D CA 0.445 54.453 54.000 0.015 0.000 0.875 274 D CB 0.591 41.376 40.800 -0.025 0.000 1.192 274 D HN 0.665 nan 8.370 nan 0.000 0.450 275 I N 0.316 120.877 120.570 -0.017 0.000 4.592 275 I HA 0.031 4.204 4.170 0.005 0.000 0.329 275 I C 1.468 177.418 176.117 -0.277 0.000 1.309 275 I CA -0.503 60.753 61.300 -0.074 0.000 1.243 275 I CB 0.245 38.386 38.000 0.235 0.000 1.241 275 I HN 0.168 nan 8.210 nan 0.000 0.434 276 V N 1.512 121.287 119.914 -0.232 0.000 2.244 276 V HA -0.199 3.924 4.120 0.005 0.000 0.244 276 V C 2.479 178.551 176.094 -0.038 0.000 1.042 276 V CA 2.230 64.349 62.300 -0.301 0.000 1.006 276 V CB -0.508 31.032 31.823 -0.471 0.000 0.641 276 V HN 0.485 nan 8.190 nan 0.000 0.446 277 L N -0.216 120.943 121.223 -0.107 0.000 2.109 277 L HA -0.047 4.295 4.340 0.005 0.000 0.207 277 L C 2.479 179.262 176.870 -0.145 0.000 1.086 277 L CA 1.897 56.696 54.840 -0.068 0.000 0.760 277 L CB -0.642 41.379 42.059 -0.062 0.000 0.910 277 L HN 0.239 nan 8.230 nan 0.000 0.437 278 S N -0.354 115.190 115.700 -0.258 0.000 2.368 278 S HA -0.102 4.371 4.470 0.005 0.000 0.225 278 S C 1.844 176.004 174.600 -0.734 0.000 1.030 278 S CA 1.141 59.110 58.200 -0.386 0.000 0.999 278 S CB -0.753 62.246 63.200 -0.334 0.000 0.844 278 S HN 0.698 nan 8.310 nan 0.000 0.459 279 G N 1.132 109.233 108.800 -1.165 0.000 2.408 279 G HA2 -0.126 3.837 3.960 0.005 0.000 0.217 279 G HA3 -0.126 3.837 3.960 0.005 0.000 0.217 279 G C 1.376 175.955 174.900 -0.535 0.000 1.150 279 G CA 0.688 45.008 45.100 -1.300 0.000 0.776 279 G HN 0.426 nan 8.290 nan 0.000 0.542 280 L N 1.051 122.094 121.223 -0.300 0.000 2.093 280 L HA 0.034 4.377 4.340 0.005 0.000 0.208 280 L C 2.886 179.683 176.870 -0.123 0.000 1.085 280 L CA 2.380 57.088 54.840 -0.220 0.000 0.755 280 L CB -0.826 41.241 42.059 0.013 0.000 0.904 280 L HN 0.173 nan 8.230 nan 0.000 0.435 281 T N -0.214 114.277 114.554 -0.106 0.000 2.737 281 T HA -0.122 4.231 4.350 0.005 0.000 0.265 281 T C 1.934 176.612 174.700 -0.037 0.000 1.038 281 T CA 1.268 63.333 62.100 -0.058 0.000 1.144 281 T CB -0.582 68.252 68.868 -0.056 0.000 0.866 281 T HN 0.495 nan 8.240 nan 0.000 0.434 282 A N 1.584 124.390 122.820 -0.024 0.000 1.908 282 A HA 0.080 4.403 4.320 0.005 0.000 0.218 282 A C 2.639 180.242 177.584 0.030 0.000 1.181 282 A CA 1.963 54.030 52.037 0.049 0.000 0.627 282 A CB -1.127 17.996 19.000 0.206 0.000 0.818 282 A HN 0.520 nan 8.150 nan 0.000 0.445 283 A N -1.175 121.646 122.820 0.002 0.000 1.898 283 A HA -0.046 4.277 4.320 0.005 0.000 0.216 283 A C 2.298 179.919 177.584 0.063 0.000 1.181 283 A CA 2.203 54.266 52.037 0.044 0.000 0.620 283 A CB -1.138 17.857 19.000 -0.009 0.000 0.819 283 A HN 0.440 nan 8.150 nan 0.000 0.442 284 T N 0.400 114.978 114.554 0.040 0.000 2.857 284 T HA -0.013 4.339 4.350 0.005 0.000 0.266 284 T C 1.801 176.478 174.700 -0.037 0.000 1.048 284 T CA 1.225 63.331 62.100 0.010 0.000 1.139 284 T CB -0.333 68.551 68.868 0.027 0.000 0.874 284 T HN 0.332 nan 8.240 nan 0.000 0.455 285 L N 1.228 122.435 121.223 -0.026 0.000 2.083 285 L HA -0.135 4.208 4.340 0.005 0.000 0.209 285 L C 2.603 179.454 176.870 -0.032 0.000 1.083 285 L CA 1.273 56.095 54.840 -0.030 0.000 0.752 285 L CB -0.549 41.494 42.059 -0.027 0.000 0.899 285 L HN 0.290 nan 8.230 nan 0.000 0.433 286 N N -0.306 118.373 118.700 -0.035 0.000 2.084 286 N HA -0.210 4.533 4.740 0.005 0.000 0.190 286 N C 1.824 177.267 175.510 -0.112 0.000 1.030 286 N CA 1.199 54.218 53.050 -0.052 0.000 0.849 286 N CB 0.117 38.587 38.487 -0.028 0.000 1.012 286 N HN 0.141 nan 8.380 nan 0.000 0.423 287 E N 0.684 120.786 120.200 -0.164 0.000 2.077 287 E HA -0.152 4.201 4.350 0.005 0.000 0.193 287 E C 1.823 178.319 176.600 -0.172 0.000 0.989 287 E CA 0.973 57.224 56.400 -0.248 0.000 0.800 287 E CB -0.183 29.218 29.700 -0.497 0.000 0.746 287 E HN 0.509 nan 8.360 nan 0.000 0.452 288 K N 0.637 120.974 120.400 -0.106 0.000 2.026 288 K HA -0.052 4.271 4.320 0.005 0.000 0.208 288 K C 2.164 178.745 176.600 -0.031 0.000 1.048 288 K CA 1.246 57.509 56.287 -0.040 0.000 0.929 288 K CB -0.170 32.329 32.500 -0.003 0.000 0.713 288 K HN 0.053 nan 8.250 nan 0.000 0.439 289 A N 1.249 124.044 122.820 -0.043 0.000 2.019 289 A HA -0.222 4.101 4.320 0.005 0.000 0.219 289 A C 2.035 179.459 177.584 -0.266 0.000 1.164 289 A CA 1.701 53.702 52.037 -0.060 0.000 0.644 289 A CB -0.324 18.668 19.000 -0.014 0.000 0.805 289 A HN 0.406 nan 8.150 nan 0.000 0.449 290 E N -0.174 119.840 120.200 -0.310 0.000 2.014 290 E HA -0.099 4.254 4.350 0.005 0.000 0.190 290 E C 1.990 178.214 176.600 -0.626 0.000 0.980 290 E CA 1.630 57.716 56.400 -0.524 0.000 0.807 290 E CB -0.158 29.235 29.700 -0.513 0.000 0.770 290 E HN 0.435 nan 8.360 nan 0.000 0.451 291 V N -0.801 118.839 119.914 -0.457 0.000 2.488 291 V HA -0.058 4.065 4.120 0.005 0.000 0.246 291 V C 2.133 178.321 176.094 0.156 0.000 1.046 291 V CA 1.304 63.466 62.300 -0.229 0.000 1.053 291 V CB -0.474 31.376 31.823 0.044 0.000 0.679 291 V HN 0.269 nan 8.190 nan 0.000 0.458 292 I N -0.447 120.184 120.570 0.103 0.000 2.385 292 I HA 0.013 4.186 4.170 0.005 0.000 0.244 292 I C 2.467 178.664 176.117 0.133 0.000 1.089 292 I CA 1.222 62.618 61.300 0.159 0.000 1.410 292 I CB -0.119 37.943 38.000 0.103 0.000 1.117 292 I HN 0.227 nan 8.210 nan 0.000 0.429 293 L N 0.147 121.416 121.223 0.077 0.000 2.130 293 L HA 0.099 4.441 4.340 0.005 0.000 0.200 293 L C 2.674 179.653 176.870 0.182 0.000 1.075 293 L CA 1.319 56.240 54.840 0.136 0.000 0.768 293 L CB -1.125 41.061 42.059 0.212 0.000 0.933 293 L HN 0.243 nan 8.230 nan 0.000 0.451 294 G N -0.120 108.658 108.800 -0.037 0.000 2.402 294 G HA2 -0.177 3.786 3.960 0.005 0.000 0.216 294 G HA3 -0.177 3.786 3.960 0.005 0.000 0.216 294 G C 1.566 176.595 174.900 0.214 0.000 1.162 294 G CA 0.726 45.830 45.100 0.006 0.000 0.777 294 G HN 0.477 nan 8.290 nan 0.000 0.539 295 G N 0.139 109.063 108.800 0.208 0.000 2.471 295 G HA2 -0.010 3.953 3.960 0.005 0.000 0.219 295 G HA3 -0.010 3.953 3.960 0.005 0.000 0.219 295 G C 1.791 176.859 174.900 0.280 0.000 1.125 295 G CA 1.222 46.520 45.100 0.331 0.000 0.775 295 G HN 0.423 nan 8.290 nan 0.000 0.548 296 S N -0.280 115.583 115.700 0.273 0.000 2.556 296 S HA 0.280 4.753 4.470 0.005 0.000 0.216 296 S C 1.799 176.528 174.600 0.215 0.000 0.970 296 S CA -0.241 58.149 58.200 0.317 0.000 0.912 296 S CB 0.189 63.564 63.200 0.291 0.000 0.790 296 S HN 0.366 nan 8.310 nan 0.000 0.504 297 I N 0.402 121.062 120.570 0.149 0.000 2.834 297 I HA -0.003 4.169 4.170 0.005 0.000 0.239 297 I C 2.220 178.295 176.117 -0.069 0.000 1.073 297 I CA 0.561 61.882 61.300 0.035 0.000 1.459 297 I CB -0.456 37.568 38.000 0.041 0.000 1.288 297 I HN 0.115 nan 8.210 nan 0.000 0.455 298 S N 1.209 116.857 115.700 -0.087 0.000 2.345 298 S HA -0.059 4.414 4.470 0.005 0.000 0.220 298 S C 2.026 176.576 174.600 -0.083 0.000 1.031 298 S CA 1.036 59.131 58.200 -0.175 0.000 0.996 298 S CB -0.166 62.975 63.200 -0.098 0.000 0.882 298 S HN 0.199 nan 8.310 nan 0.000 0.445 299 I N 2.213 122.783 120.570 0.001 0.000 2.113 299 I HA -0.065 4.107 4.170 0.005 0.000 0.238 299 I C -0.851 175.300 176.117 0.055 0.000 1.070 299 I CA 1.158 62.476 61.300 0.029 0.000 1.332 299 I CB -2.768 35.278 38.000 0.077 0.000 1.044 299 I HN 0.162 nan 8.210 nan 0.000 0.402 300 P HA -0.098 nan 4.420 nan 0.000 0.216 300 P C 1.654 179.012 177.300 0.096 0.000 1.150 300 P CA 1.914 65.087 63.100 0.121 0.000 0.837 300 P CB 0.004 31.830 31.700 0.210 0.000 0.786 301 A N 0.014 122.869 122.820 0.057 0.000 1.873 301 A HA -0.066 4.256 4.320 0.005 0.000 0.215 301 A C 2.329 179.936 177.584 0.039 0.000 1.186 301 A CA 2.010 54.062 52.037 0.025 0.000 0.616 301 A CB -1.588 17.338 19.000 -0.123 0.000 0.823 301 A HN 0.185 nan 8.150 nan 0.000 0.442 302 A N -0.572 122.257 122.820 0.015 0.000 1.902 302 A HA 0.005 4.328 4.320 0.005 0.000 0.217 302 A C 2.226 179.926 177.584 0.194 0.000 1.181 302 A CA 1.798 53.916 52.037 0.135 0.000 0.623 302 A CB -0.928 18.091 19.000 0.030 0.000 0.818 302 A HN 0.383 nan 8.150 nan 0.000 0.443 303 V N -0.111 119.846 119.914 0.072 0.000 2.358 303 V HA -0.231 3.892 4.120 0.005 0.000 0.246 303 V C 3.055 179.176 176.094 0.045 0.000 1.047 303 V CA 1.824 64.139 62.300 0.024 0.000 1.035 303 V CB -1.247 30.556 31.823 -0.032 0.000 0.658 303 V HN 0.617 nan 8.190 nan 0.000 0.452 304 A N -0.521 122.343 122.820 0.073 0.000 1.883 304 A HA -0.221 4.102 4.320 0.005 0.000 0.217 304 A C 2.026 179.589 177.584 -0.034 0.000 1.186 304 A CA 2.072 54.135 52.037 0.044 0.000 0.624 304 A CB -0.675 18.397 19.000 0.119 0.000 0.822 304 A HN 0.479 nan 8.150 nan 0.000 0.444 305 F N -2.566 117.255 119.950 -0.216 0.000 2.416 305 F HA 0.167 4.698 4.527 0.006 0.000 0.296 305 F C 1.444 176.863 175.800 -0.635 0.000 1.099 305 F CA 0.901 58.608 58.000 -0.487 0.000 1.427 305 F CB 0.047 38.609 39.000 -0.730 0.000 1.079 305 F HN 0.221 nan 8.300 nan 0.000 0.536 306 F N -1.035 118.962 119.950 0.077 0.000 2.789 306 F HA 0.488 5.017 4.527 0.003 0.000 0.320 306 F C 1.154 176.927 175.800 -0.044 0.000 1.079 306 F CA 0.283 58.287 58.000 0.007 0.000 1.205 306 F CB -0.072 38.923 39.000 -0.009 0.000 1.046 306 F HN -0.087 nan 8.300 nan 0.000 0.586 307 G N 0.544 109.396 108.800 0.086 0.000 2.712 307 G HA2 -0.157 3.805 3.960 0.005 0.000 0.683 307 G HA3 -0.157 3.805 3.960 0.005 0.000 0.683 307 G C 0.434 175.294 174.900 -0.067 0.000 1.320 307 G CA -0.582 44.516 45.100 -0.003 0.000 0.847 307 G HN -0.069 nan 8.290 nan 0.000 0.553 308 V N 1.092 120.916 119.914 -0.150 0.000 2.270 308 V HA -0.034 4.089 4.120 0.005 0.000 0.245 308 V C 3.435 179.341 176.094 -0.314 0.000 1.043 308 V CA 3.469 65.566 62.300 -0.339 0.000 1.014 308 V CB -1.351 30.258 31.823 -0.357 0.000 0.645 308 V HN 1.838 nan 8.190 nan 0.000 0.447 309 A N 0.302 123.014 122.820 -0.180 0.000 1.908 309 A HA -0.257 4.065 4.320 0.005 0.000 0.218 309 A C 2.050 179.559 177.584 -0.125 0.000 1.181 309 A CA 2.245 54.202 52.037 -0.134 0.000 0.627 309 A CB -0.695 18.260 19.000 -0.075 0.000 0.818 309 A HN 0.593 nan 8.150 nan 0.000 0.445 310 N N 0.042 118.686 118.700 -0.095 0.000 2.270 310 N HA -0.014 4.729 4.740 0.005 0.000 0.181 310 N C 1.842 177.253 175.510 -0.165 0.000 1.016 310 N CA 1.364 54.354 53.050 -0.100 0.000 0.870 310 N CB -0.494 37.984 38.487 -0.015 0.000 0.979 310 N HN 0.463 nan 8.380 nan 0.000 0.431 311 A N 0.528 123.258 122.820 -0.151 0.000 1.898 311 A HA -0.044 4.278 4.320 0.005 0.000 0.216 311 A C 2.457 179.918 177.584 -0.205 0.000 1.181 311 A CA 1.060 52.991 52.037 -0.176 0.000 0.620 311 A CB -0.687 18.211 19.000 -0.170 0.000 0.819 311 A HN 0.082 nan 8.150 nan 0.000 0.442 312 V N -0.050 119.719 119.914 -0.242 0.000 2.295 312 V HA -0.261 3.862 4.120 0.005 0.000 0.246 312 V C 3.071 179.087 176.094 -0.131 0.000 1.049 312 V CA 1.963 64.155 62.300 -0.181 0.000 1.024 312 V CB -1.215 30.505 31.823 -0.173 0.000 0.648 312 V HN 0.612 nan 8.190 nan 0.000 0.447 313 A N -0.187 122.555 122.820 -0.130 0.000 1.908 313 A HA -0.204 4.119 4.320 0.005 0.000 0.218 313 A C 2.184 179.696 177.584 -0.120 0.000 1.181 313 A CA 2.023 53.995 52.037 -0.109 0.000 0.627 313 A CB -0.581 18.356 19.000 -0.105 0.000 0.818 313 A HN 0.508 nan 8.150 nan 0.000 0.445 314 I N -0.277 120.198 120.570 -0.159 0.000 2.163 314 I HA -0.319 3.854 4.170 0.005 0.000 0.243 314 I C 2.970 179.019 176.117 -0.114 0.000 1.085 314 I CA 1.195 62.397 61.300 -0.163 0.000 1.347 314 I CB -0.290 37.566 38.000 -0.240 0.000 1.044 314 I HN 0.368 nan 8.210 nan 0.000 0.408 315 A N 0.439 123.189 122.820 -0.117 0.000 1.933 315 A HA -0.211 4.112 4.320 0.005 0.000 0.218 315 A C 2.265 179.789 177.584 -0.101 0.000 1.175 315 A CA 1.542 53.514 52.037 -0.107 0.000 0.628 315 A CB -0.417 18.509 19.000 -0.124 0.000 0.814 315 A HN 0.337 nan 8.150 nan 0.000 0.444 316 K N -0.308 120.036 120.400 -0.093 0.000 2.288 316 K HA 0.084 4.406 4.320 0.005 0.000 0.201 316 K C 2.035 178.598 176.600 -0.062 0.000 1.048 316 K CA 0.687 56.928 56.287 -0.078 0.000 0.956 316 K CB -0.204 32.257 32.500 -0.066 0.000 0.746 316 K HN 0.445 nan 8.250 nan 0.000 0.461 317 A N 1.428 124.214 122.820 -0.056 0.000 2.070 317 A HA 0.058 4.381 4.320 0.005 0.000 0.220 317 A C 0.971 178.546 177.584 -0.016 0.000 1.159 317 A CA 1.406 53.425 52.037 -0.030 0.000 0.656 317 A CB -0.076 18.909 19.000 -0.026 0.000 0.800 317 A HN 0.387 nan 8.150 nan 0.000 0.453 318 G N -4.381 104.395 108.800 -0.039 0.000 2.328 318 G HA2 0.499 4.462 3.960 0.005 0.000 0.299 318 G HA3 0.499 4.462 3.960 0.005 0.000 0.299 318 G C 0.364 175.185 174.900 -0.131 0.000 1.435 318 G CA -0.194 44.870 45.100 -0.060 0.000 0.865 318 G HN 0.827 nan 8.290 nan 0.000 0.601 319 A N -0.795 121.841 122.820 -0.306 0.000 2.014 319 A HA 0.384 4.707 4.320 0.005 0.000 0.218 319 A C 1.444 178.760 177.584 -0.445 0.000 1.163 319 A CA 1.875 53.591 52.037 -0.535 0.000 0.652 319 A CB -0.362 18.072 19.000 -0.944 0.000 0.808 319 A HN 0.755 nan 8.150 nan 0.000 0.449 320 F N -0.819 119.236 119.950 0.175 0.000 2.706 320 F HA 0.215 4.745 4.527 0.005 0.000 0.308 320 F C 1.750 177.748 175.800 0.329 0.000 1.095 320 F CA -0.785 57.406 58.000 0.318 0.000 1.244 320 F CB -0.569 38.585 39.000 0.256 0.000 1.063 320 F HN 0.184 nan 8.300 nan 0.000 0.582 321 N N 0.720 119.605 118.700 0.308 0.000 2.043 321 N HA -0.193 4.550 4.740 0.005 0.000 0.193 321 N C 1.903 177.516 175.510 0.173 0.000 1.037 321 N CA 1.263 54.448 53.050 0.225 0.000 0.851 321 N CB -0.223 38.325 38.487 0.103 0.000 1.027 321 N HN 0.153 nan 8.380 nan 0.000 0.422 322 L N 1.137 122.421 121.223 0.103 0.000 2.012 322 L HA -0.070 4.272 4.340 0.005 0.000 0.210 322 L C 2.160 179.050 176.870 0.033 0.000 1.073 322 L CA 1.809 56.660 54.840 0.019 0.000 0.748 322 L CB -0.944 41.106 42.059 -0.014 0.000 0.891 322 L HN 0.120 nan 8.230 nan 0.000 0.431 323 G N -2.462 106.450 108.800 0.187 0.000 2.492 323 G HA2 -0.150 3.812 3.960 0.005 0.000 0.214 323 G HA3 -0.150 3.812 3.960 0.005 0.000 0.214 323 G C 1.177 176.188 174.900 0.185 0.000 1.147 323 G CA 0.433 45.661 45.100 0.213 0.000 0.809 323 G HN 0.411 nan 8.290 nan 0.000 0.533 324 F N -0.475 119.697 119.950 0.370 0.000 2.717 324 F HA 0.455 4.985 4.527 0.005 0.000 0.295 324 F C 1.975 178.061 175.800 0.476 0.000 1.117 324 F CA 0.054 58.316 58.000 0.436 0.000 1.361 324 F CB 0.467 39.580 39.000 0.187 0.000 1.112 324 F HN 0.043 nan 8.300 nan 0.000 0.594 325 I N -2.037 118.800 120.570 0.446 0.000 3.534 325 I HA -0.055 4.117 4.170 0.005 0.000 0.251 325 I C 2.008 178.160 176.117 0.059 0.000 1.136 325 I CA 0.547 62.046 61.300 0.331 0.000 1.475 325 I CB -0.472 37.694 38.000 0.276 0.000 1.526 325 I HN -0.214 nan 8.210 nan 0.000 0.454 326 T N 1.954 116.494 114.554 -0.023 0.000 2.674 326 T HA -0.139 4.214 4.350 0.005 0.000 0.265 326 T C 1.855 176.361 174.700 -0.324 0.000 1.039 326 T CA 1.453 63.464 62.100 -0.148 0.000 1.150 326 T CB -0.273 68.507 68.868 -0.146 0.000 0.864 326 T HN 0.060 nan 8.240 nan 0.000 0.427 327 L N 2.504 123.465 121.223 -0.437 0.000 1.994 327 L HA -0.007 4.335 4.340 0.005 0.000 0.208 327 L C -0.745 175.513 176.870 -1.021 0.000 1.071 327 L CA 1.942 56.255 54.840 -0.877 0.000 0.745 327 L CB -1.282 40.086 42.059 -1.153 0.000 0.892 327 L HN 0.149 nan 8.230 nan 0.000 0.431 328 P HA -0.154 nan 4.420 nan 0.000 0.218 328 P C 1.398 178.271 177.300 -0.711 0.000 1.149 328 P CA 1.977 64.872 63.100 -0.341 0.000 0.817 328 P CB -0.172 31.655 31.700 0.211 0.000 0.785 329 A N 0.024 122.189 122.820 -1.092 0.000 1.902 329 A HA -0.149 4.174 4.320 0.005 0.000 0.217 329 A C 2.365 179.628 177.584 -0.535 0.000 1.181 329 A CA 1.363 52.719 52.037 -1.135 0.000 0.623 329 A CB -1.577 17.036 19.000 -0.646 0.000 0.818 329 A HN 0.104 nan 8.150 nan 0.000 0.443 330 I N -1.334 118.901 120.570 -0.558 0.000 2.163 330 I HA -0.256 3.917 4.170 0.005 0.000 0.243 330 I C 2.241 178.096 176.117 -0.437 0.000 1.085 330 I CA 1.298 62.149 61.300 -0.748 0.000 1.347 330 I CB -0.407 37.017 38.000 -0.961 0.000 1.044 330 I HN 0.263 nan 8.210 nan 0.000 0.408 331 F N 1.260 120.976 119.950 -0.391 0.000 2.161 331 F HA -0.233 4.297 4.527 0.004 0.000 0.300 331 F C 3.018 178.777 175.800 -0.068 0.000 1.089 331 F CA 1.427 59.306 58.000 -0.201 0.000 1.282 331 F CB -1.633 37.286 39.000 -0.135 0.000 1.010 331 F HN 0.206 nan 8.300 nan 0.000 0.485 332 S N -0.635 115.147 115.700 0.136 0.000 2.469 332 S HA -0.167 4.306 4.470 0.005 0.000 0.238 332 S C 1.514 176.196 174.600 0.137 0.000 0.998 332 S CA 0.765 59.077 58.200 0.187 0.000 0.957 332 S CB -0.403 62.975 63.200 0.296 0.000 0.764 332 S HN 0.379 nan 8.310 nan 0.000 0.514 333 Q N 1.732 121.586 119.800 0.090 0.000 2.403 333 Q HA 0.147 4.490 4.340 0.005 0.000 0.203 333 Q C 0.685 176.772 176.000 0.145 0.000 0.932 333 Q CA 0.663 56.544 55.803 0.129 0.000 0.945 333 Q CB 0.135 28.989 28.738 0.194 0.000 1.045 333 Q HN 0.867 nan 8.270 nan 0.000 0.511 334 T N -2.979 111.651 114.554 0.126 0.000 2.885 334 T HA 0.719 5.072 4.350 0.005 0.000 0.285 334 T C -0.098 174.651 174.700 0.082 0.000 1.019 334 T CA -0.792 61.370 62.100 0.104 0.000 1.010 334 T CB 2.114 71.034 68.868 0.087 0.000 1.022 334 T HN 0.098 nan 8.240 nan 0.000 0.466 335 A N 1.139 123.996 122.820 0.062 0.000 2.546 335 A HA 0.524 4.847 4.320 0.005 0.000 0.243 335 A C 1.658 179.277 177.584 0.060 0.000 1.063 335 A CA 0.303 52.371 52.037 0.053 0.000 0.757 335 A CB -1.381 17.640 19.000 0.035 0.000 0.991 335 A HN 2.439 nan 8.150 nan 0.000 0.503 336 G N 1.616 110.462 108.800 0.077 0.000 2.153 336 G HA2 -0.147 3.816 3.960 0.005 0.000 0.252 336 G HA3 -0.147 3.816 3.960 0.005 0.000 0.252 336 G C 1.212 176.213 174.900 0.169 0.000 0.994 336 G CA 0.927 46.096 45.100 0.115 0.000 0.698 336 G HN 1.870 nan 8.290 nan 0.000 0.521 337 G N -0.546 108.340 108.800 0.144 0.000 2.432 337 G HA2 0.008 3.971 3.960 0.005 0.000 0.219 337 G HA3 0.008 3.971 3.960 0.005 0.000 0.219 337 G C 1.626 176.704 174.900 0.298 0.000 1.135 337 G CA 2.224 47.422 45.100 0.162 0.000 0.767 337 G HN 0.608 nan 8.290 nan 0.000 0.550 338 T N 0.685 115.434 114.554 0.325 0.000 2.708 338 T HA -0.121 4.231 4.350 0.005 0.000 0.266 338 T C 1.930 176.946 174.700 0.527 0.000 1.037 338 T CA 1.054 63.414 62.100 0.434 0.000 1.146 338 T CB -0.312 68.702 68.868 0.243 0.000 0.865 338 T HN 0.234 nan 8.240 nan 0.000 0.435 339 F N 1.342 121.453 119.950 0.267 0.000 2.171 339 F HA -0.023 4.507 4.527 0.004 0.000 0.300 339 F C 1.931 177.924 175.800 0.321 0.000 1.090 339 F CA 0.616 58.787 58.000 0.286 0.000 1.293 339 F CB -0.394 38.700 39.000 0.157 0.000 1.013 339 F HN 0.012 nan 8.300 nan 0.000 0.486 340 L N 0.364 121.731 121.223 0.240 0.000 2.083 340 L HA 0.004 4.347 4.340 0.005 0.000 0.209 340 L C 2.535 179.421 176.870 0.026 0.000 1.083 340 L CA 2.021 56.838 54.840 -0.039 0.000 0.752 340 L CB -1.467 40.349 42.059 -0.406 0.000 0.899 340 L HN 0.198 nan 8.230 nan 0.000 0.433 341 G N -1.120 107.861 108.800 0.300 0.000 2.418 341 G HA2 -0.366 3.597 3.960 0.005 0.000 0.217 341 G HA3 -0.366 3.597 3.960 0.005 0.000 0.217 341 G C 1.567 176.587 174.900 0.200 0.000 1.158 341 G CA 0.863 46.141 45.100 0.297 0.000 0.771 341 G HN 0.481 nan 8.290 nan 0.000 0.545 342 F N 1.436 121.499 119.950 0.188 0.000 2.095 342 F HA -0.019 4.511 4.527 0.005 0.000 0.298 342 F C 2.337 178.135 175.800 -0.003 0.000 1.104 342 F CA 1.314 59.392 58.000 0.130 0.000 1.232 342 F CB -0.355 38.632 39.000 -0.022 0.000 0.987 342 F HN 0.063 nan 8.300 nan 0.000 0.475 343 L N -0.515 120.394 121.223 -0.522 0.000 2.083 343 L HA -0.235 4.108 4.340 0.005 0.000 0.209 343 L C 2.603 179.311 176.870 -0.270 0.000 1.083 343 L CA 1.509 56.001 54.840 -0.579 0.000 0.752 343 L CB -1.062 40.799 42.059 -0.331 0.000 0.899 343 L HN 0.551 nan 8.230 nan 0.000 0.433 344 W N 0.827 121.920 121.300 -0.345 0.000 2.355 344 W HA -0.252 4.412 4.660 0.006 0.000 0.309 344 W C 2.062 178.285 176.519 -0.493 0.000 1.206 344 W CA 1.262 58.359 57.345 -0.413 0.000 1.284 344 W CB -0.242 28.956 29.460 -0.437 0.000 1.145 344 W HN 0.067 nan 8.180 nan 0.000 0.502 345 F N -0.420 119.314 119.950 -0.360 0.000 2.259 345 F HA -0.064 4.467 4.527 0.005 0.000 0.298 345 F C 2.222 177.848 175.800 -0.290 0.000 1.088 345 F CA 1.099 58.843 58.000 -0.426 0.000 1.358 345 F CB -1.551 37.349 39.000 -0.167 0.000 1.040 345 F HN -0.188 nan 8.300 nan 0.000 0.505 346 F N 0.214 119.972 119.950 -0.320 0.000 2.146 346 F HA -0.166 4.363 4.527 0.004 0.000 0.298 346 F C 2.263 177.876 175.800 -0.311 0.000 1.096 346 F CA 0.983 58.775 58.000 -0.347 0.000 1.275 346 F CB -0.400 38.144 39.000 -0.760 0.000 1.008 346 F HN -0.044 nan 8.300 nan 0.000 0.480 347 L N 0.434 121.498 121.223 -0.265 0.000 2.012 347 L HA -0.223 4.120 4.340 0.005 0.000 0.210 347 L C 2.046 178.643 176.870 -0.455 0.000 1.073 347 L CA 1.919 56.539 54.840 -0.367 0.000 0.748 347 L CB -0.961 40.821 42.059 -0.461 0.000 0.891 347 L HN 0.221 nan 8.230 nan 0.000 0.431 348 L N -1.623 119.246 121.223 -0.590 0.000 2.046 348 L HA -0.218 4.125 4.340 0.005 0.000 0.208 348 L C 2.483 179.254 176.870 -0.165 0.000 1.077 348 L CA 1.465 56.015 54.840 -0.484 0.000 0.747 348 L CB -0.758 40.917 42.059 -0.641 0.000 0.896 348 L HN 0.353 nan 8.230 nan 0.000 0.432 349 F N 0.347 120.152 119.950 -0.242 0.000 2.102 349 F HA -0.254 4.276 4.527 0.004 0.000 0.298 349 F C 2.250 178.060 175.800 0.016 0.000 1.105 349 F CA 1.417 59.342 58.000 -0.126 0.000 1.239 349 F CB -0.423 38.473 39.000 -0.174 0.000 0.991 349 F HN -0.114 nan 8.300 nan 0.000 0.474 350 F N 0.742 120.391 119.950 -0.501 0.000 2.171 350 F HA -0.074 4.455 4.527 0.005 0.000 0.300 350 F C 2.609 178.274 175.800 -0.225 0.000 1.090 350 F CA 0.933 58.687 58.000 -0.411 0.000 1.293 350 F CB -1.550 37.276 39.000 -0.289 0.000 1.013 350 F HN 0.095 nan 8.300 nan 0.000 0.486 351 A N -0.043 122.783 122.820 0.010 0.000 1.877 351 A HA -0.088 4.235 4.320 0.005 0.000 0.216 351 A C 2.619 180.244 177.584 0.067 0.000 1.186 351 A CA 1.886 53.963 52.037 0.066 0.000 0.620 351 A CB -1.545 17.526 19.000 0.118 0.000 0.822 351 A HN 0.397 nan 8.150 nan 0.000 0.443 352 G N -0.380 108.427 108.800 0.011 0.000 2.404 352 G HA2 -0.105 3.858 3.960 0.005 0.000 0.215 352 G HA3 -0.105 3.858 3.960 0.005 0.000 0.215 352 G C 1.482 176.409 174.900 0.047 0.000 1.174 352 G CA 1.152 46.305 45.100 0.089 0.000 0.780 352 G HN 0.461 nan 8.290 nan 0.000 0.537 353 L N 1.851 122.947 121.223 -0.210 0.000 2.012 353 L HA -0.071 4.272 4.340 0.005 0.000 0.210 353 L C 3.129 179.920 176.870 -0.132 0.000 1.073 353 L CA 2.880 57.542 54.840 -0.296 0.000 0.748 353 L CB -1.179 40.483 42.059 -0.662 0.000 0.891 353 L HN 0.382 nan 8.230 nan 0.000 0.431 354 T N -4.528 110.007 114.554 -0.032 0.000 2.881 354 T HA -0.103 4.250 4.350 0.005 0.000 0.270 354 T C 1.872 176.566 174.700 -0.009 0.000 1.068 354 T CA 1.466 63.595 62.100 0.048 0.000 1.131 354 T CB -0.567 68.326 68.868 0.041 0.000 0.871 354 T HN 0.339 nan 8.240 nan 0.000 0.479 355 S N 1.700 117.372 115.700 -0.046 0.000 2.404 355 S HA -0.001 4.472 4.470 0.005 0.000 0.223 355 S C 2.516 176.945 174.600 -0.285 0.000 1.040 355 S CA 0.861 58.951 58.200 -0.184 0.000 0.957 355 S CB -0.290 62.799 63.200 -0.185 0.000 0.826 355 S HN 0.837 nan 8.310 nan 0.000 0.491 356 S N 3.107 118.716 115.700 -0.152 0.000 2.383 356 S HA -0.079 4.394 4.470 0.005 0.000 0.227 356 S C 1.999 176.524 174.600 -0.124 0.000 1.026 356 S CA 1.120 59.231 58.200 -0.148 0.000 0.981 356 S CB -1.025 62.199 63.200 0.040 0.000 0.818 356 S HN 0.702 nan 8.310 nan 0.000 0.472 357 I N 0.305 120.820 120.570 -0.092 0.000 2.361 357 I HA 0.029 4.202 4.170 0.005 0.000 0.251 357 I C 2.546 178.678 176.117 0.024 0.000 1.133 357 I CA 1.238 62.512 61.300 -0.044 0.000 1.413 357 I CB -0.801 37.171 38.000 -0.047 0.000 1.073 357 I HN 0.319 nan 8.210 nan 0.000 0.424 358 A N 2.606 125.401 122.820 -0.043 0.000 1.968 358 A HA 0.011 4.334 4.320 0.005 0.000 0.217 358 A C 2.301 179.767 177.584 -0.198 0.000 1.169 358 A CA 1.631 53.564 52.037 -0.172 0.000 0.638 358 A CB -0.769 17.922 19.000 -0.515 0.000 0.812 358 A HN 0.726 nan 8.150 nan 0.000 0.446 359 I N -4.965 115.467 120.570 -0.229 0.000 3.793 359 I HA 0.198 4.371 4.170 0.005 0.000 0.315 359 I C 1.873 177.938 176.117 -0.088 0.000 1.275 359 I CA 0.487 61.669 61.300 -0.197 0.000 1.214 359 I CB -0.038 37.769 38.000 -0.323 0.000 1.018 359 I HN 0.105 nan 8.210 nan 0.000 0.439 360 M N 0.391 119.962 119.600 -0.048 0.000 2.501 360 M HA 0.015 4.498 4.480 0.005 0.000 0.261 360 M C 2.125 178.451 176.300 0.044 0.000 1.129 360 M CA 0.774 56.077 55.300 0.006 0.000 1.126 360 M CB 0.090 32.691 32.600 0.003 0.000 1.359 360 M HN 0.190 nan 8.290 nan 0.000 0.471 361 Q N 1.230 121.071 119.800 0.068 0.000 2.124 361 Q HA -0.083 4.260 4.340 0.005 0.000 0.202 361 Q C -1.020 175.060 176.000 0.133 0.000 0.977 361 Q CA 1.972 57.847 55.803 0.120 0.000 0.850 361 Q CB -1.286 27.593 28.738 0.234 0.000 0.901 361 Q HN 0.215 nan 8.270 nan 0.000 0.429 362 P HA -0.170 nan 4.420 nan 0.000 0.215 362 P C 1.153 178.519 177.300 0.109 0.000 1.157 362 P CA 1.489 64.645 63.100 0.094 0.000 0.874 362 P CB -0.149 31.576 31.700 0.042 0.000 0.790 363 M N -1.193 118.463 119.600 0.094 0.000 2.132 363 M HA -0.084 4.399 4.480 0.005 0.000 0.263 363 M C 1.893 178.299 176.300 0.177 0.000 1.065 363 M CA 1.675 57.053 55.300 0.131 0.000 1.122 363 M CB -1.242 31.427 32.600 0.115 0.000 1.365 363 M HN -0.205 nan 8.290 nan 0.000 0.411 364 I N -0.158 120.492 120.570 0.134 0.000 2.163 364 I HA -0.309 3.864 4.170 0.005 0.000 0.243 364 I C 2.380 178.560 176.117 0.106 0.000 1.085 364 I CA 1.414 62.780 61.300 0.111 0.000 1.347 364 I CB -0.766 37.274 38.000 0.066 0.000 1.044 364 I HN 0.386 nan 8.210 nan 0.000 0.408 365 A N 0.372 123.270 122.820 0.130 0.000 1.902 365 A HA -0.259 4.063 4.320 0.005 0.000 0.217 365 A C 2.245 179.886 177.584 0.096 0.000 1.181 365 A CA 1.501 53.612 52.037 0.124 0.000 0.623 365 A CB -1.000 18.089 19.000 0.149 0.000 0.818 365 A HN 0.472 nan 8.150 nan 0.000 0.443 366 F N 0.691 120.641 119.950 0.001 0.000 2.102 366 F HA -0.154 4.375 4.527 0.005 0.000 0.298 366 F C 1.871 177.651 175.800 -0.034 0.000 1.105 366 F CA 1.826 59.810 58.000 -0.027 0.000 1.239 366 F CB -0.302 38.665 39.000 -0.056 0.000 0.991 366 F HN 0.143 nan 8.300 nan 0.000 0.474 367 L N -0.076 121.119 121.223 -0.048 0.000 2.093 367 L HA -0.181 4.162 4.340 0.005 0.000 0.208 367 L C 2.389 179.162 176.870 -0.162 0.000 1.085 367 L CA 1.617 56.373 54.840 -0.139 0.000 0.755 367 L CB -0.778 41.314 42.059 0.055 0.000 0.904 367 L HN 0.191 nan 8.230 nan 0.000 0.435 368 E N 0.113 120.260 120.200 -0.087 0.000 2.015 368 E HA -0.203 4.149 4.350 0.005 0.000 0.191 368 E C 1.830 178.347 176.600 -0.138 0.000 0.991 368 E CA 1.447 57.797 56.400 -0.085 0.000 0.802 368 E CB -0.040 29.634 29.700 -0.042 0.000 0.759 368 E HN 0.426 nan 8.360 nan 0.000 0.447 369 D N 0.256 120.567 120.400 -0.148 0.000 2.097 369 D HA -0.134 4.509 4.640 0.005 0.000 0.195 369 D C 1.789 177.966 176.300 -0.205 0.000 0.989 369 D CA 1.123 55.024 54.000 -0.164 0.000 0.827 369 D CB -0.026 40.712 40.800 -0.103 0.000 0.966 369 D HN 0.166 nan 8.370 nan 0.000 0.456 370 E N -0.474 119.514 120.200 -0.354 0.000 2.330 370 E HA 0.155 4.508 4.350 0.005 0.000 0.200 370 E C 1.997 178.341 176.600 -0.426 0.000 0.922 370 E CA 0.065 56.215 56.400 -0.417 0.000 0.935 370 E CB 0.409 29.694 29.700 -0.691 0.000 0.917 370 E HN 0.274 nan 8.360 nan 0.000 0.491 371 L N 0.824 121.760 121.223 -0.479 0.000 2.640 371 L HA 0.175 4.518 4.340 0.005 0.000 0.230 371 L C -0.054 176.697 176.870 -0.199 0.000 1.123 371 L CA -0.115 54.530 54.840 -0.324 0.000 0.900 371 L CB 0.200 42.061 42.059 -0.331 0.000 1.146 371 L HN -0.148 nan 8.230 nan 0.000 0.484 372 K N 0.221 120.513 120.400 -0.180 0.000 3.069 372 K HA -0.181 4.142 4.320 0.005 0.000 0.267 372 K C -0.274 176.287 176.600 -0.064 0.000 1.082 372 K CA 0.506 56.726 56.287 -0.112 0.000 0.782 372 K CB -2.051 30.393 32.500 -0.093 0.000 1.230 372 K HN 0.143 nan 8.250 nan 0.000 0.488 373 L N 0.934 122.126 121.223 -0.052 0.000 2.436 373 L HA 0.126 4.469 4.340 0.005 0.000 0.265 373 L C 1.305 178.186 176.870 0.018 0.000 1.168 373 L CA 0.385 55.244 54.840 0.031 0.000 0.815 373 L CB 0.890 42.993 42.059 0.075 0.000 1.109 373 L HN 0.311 nan 8.230 nan 0.000 0.462 374 S N 2.338 118.057 115.700 0.032 0.000 2.584 374 S HA 0.150 4.623 4.470 0.005 0.000 0.270 374 S C 1.265 175.834 174.600 -0.051 0.000 1.346 374 S CA -0.246 57.916 58.200 -0.063 0.000 1.018 374 S CB 0.496 63.582 63.200 -0.190 0.000 0.899 374 S HN 0.662 nan 8.310 nan 0.000 0.542 375 R N 1.523 121.974 120.500 -0.082 0.000 2.096 375 R HA -0.195 4.148 4.340 0.005 0.000 0.240 375 R C 2.301 178.565 176.300 -0.061 0.000 1.139 375 R CA 1.996 58.052 56.100 -0.073 0.000 0.952 375 R CB -0.451 29.784 30.300 -0.108 0.000 0.854 375 R HN 0.852 nan 8.270 nan 0.000 0.436 376 K N -0.437 119.893 120.400 -0.116 0.000 2.020 376 K HA -0.240 4.083 4.320 0.005 0.000 0.212 376 K C 1.908 178.508 176.600 0.000 0.000 1.050 376 K CA 2.296 58.514 56.287 -0.114 0.000 0.929 376 K CB -0.269 32.103 32.500 -0.213 0.000 0.714 376 K HN 0.529 nan 8.250 nan 0.000 0.443 377 H N -0.896 118.207 119.070 0.056 0.000 2.389 377 H HA -0.032 4.526 4.556 0.005 0.000 0.299 377 H C 2.064 177.548 175.328 0.260 0.000 1.081 377 H CA 0.656 56.801 56.048 0.162 0.000 1.345 377 H CB 0.068 29.966 29.762 0.228 0.000 1.393 377 H HN 0.391 nan 8.280 nan 0.000 0.520 378 A N 0.676 123.659 122.820 0.272 0.000 1.902 378 A HA -0.136 4.187 4.320 0.005 0.000 0.217 378 A C 2.562 180.257 177.584 0.185 0.000 1.181 378 A CA 1.496 53.662 52.037 0.215 0.000 0.623 378 A CB -0.766 18.299 19.000 0.108 0.000 0.818 378 A HN 0.205 nan 8.150 nan 0.000 0.443 379 V N 0.058 120.033 119.914 0.102 0.000 2.307 379 V HA -0.230 3.893 4.120 0.005 0.000 0.245 379 V C 2.563 178.692 176.094 0.058 0.000 1.045 379 V CA 1.890 64.220 62.300 0.050 0.000 1.024 379 V CB -0.716 31.094 31.823 -0.022 0.000 0.651 379 V HN 0.559 nan 8.190 nan 0.000 0.449 380 L N -1.925 119.322 121.223 0.041 0.000 2.093 380 L HA -0.176 4.167 4.340 0.005 0.000 0.208 380 L C 2.387 179.228 176.870 -0.049 0.000 1.085 380 L CA 1.854 56.663 54.840 -0.051 0.000 0.755 380 L CB -0.455 41.525 42.059 -0.132 0.000 0.904 380 L HN 0.398 nan 8.230 nan 0.000 0.435 381 W N -0.088 121.261 121.300 0.083 0.000 2.418 381 W HA -0.139 4.524 4.660 0.004 0.000 0.292 381 W C 2.670 179.262 176.519 0.120 0.000 1.213 381 W CA 1.147 58.550 57.345 0.097 0.000 1.283 381 W CB -0.426 29.096 29.460 0.103 0.000 1.119 381 W HN -0.001 nan 8.180 nan 0.000 0.542 382 T N 0.085 114.836 114.554 0.330 0.000 2.708 382 T HA -0.201 4.152 4.350 0.005 0.000 0.266 382 T C 1.964 176.787 174.700 0.205 0.000 1.037 382 T CA 1.745 63.992 62.100 0.246 0.000 1.146 382 T CB -0.719 68.253 68.868 0.174 0.000 0.865 382 T HN 0.182 nan 8.240 nan 0.000 0.435 383 A N 1.353 124.260 122.820 0.145 0.000 1.933 383 A HA 0.188 4.511 4.320 0.005 0.000 0.218 383 A C 2.623 180.324 177.584 0.195 0.000 1.175 383 A CA 1.749 53.856 52.037 0.117 0.000 0.628 383 A CB -1.016 17.996 19.000 0.021 0.000 0.814 383 A HN 0.502 nan 8.150 nan 0.000 0.444 384 A N -0.070 122.859 122.820 0.181 0.000 1.933 384 A HA -0.063 4.259 4.320 0.005 0.000 0.218 384 A C 2.106 179.914 177.584 0.374 0.000 1.175 384 A CA 1.505 53.688 52.037 0.244 0.000 0.628 384 A CB -0.552 18.509 19.000 0.102 0.000 0.814 384 A HN 0.500 nan 8.150 nan 0.000 0.444 385 I N -0.628 120.151 120.570 0.349 0.000 2.202 385 I HA -0.187 3.985 4.170 0.005 0.000 0.242 385 I C 2.346 178.686 176.117 0.373 0.000 1.091 385 I CA 1.027 62.535 61.300 0.347 0.000 1.368 385 I CB -0.314 37.866 38.000 0.301 0.000 1.058 385 I HN 0.145 nan 8.210 nan 0.000 0.410 386 V N 0.740 120.848 119.914 0.323 0.000 2.295 386 V HA -0.309 3.814 4.120 0.005 0.000 0.246 386 V C 2.286 178.616 176.094 0.393 0.000 1.049 386 V CA 2.012 64.495 62.300 0.305 0.000 1.024 386 V CB -0.737 31.226 31.823 0.233 0.000 0.648 386 V HN 0.368 nan 8.190 nan 0.000 0.447 387 F N 0.587 120.711 119.950 0.290 0.000 2.069 387 F HA -0.243 4.287 4.527 0.005 0.000 0.298 387 F C 2.158 178.261 175.800 0.505 0.000 1.113 387 F CA 1.989 60.211 58.000 0.371 0.000 1.214 387 F CB -0.628 38.514 39.000 0.236 0.000 0.978 387 F HN 0.185 nan 8.300 nan 0.000 0.474 388 F N 0.916 121.016 119.950 0.249 0.000 2.069 388 F HA -0.217 4.313 4.527 0.005 0.000 0.298 388 F C 2.495 178.361 175.800 0.111 0.000 1.113 388 F CA 2.236 60.288 58.000 0.087 0.000 1.214 388 F CB -1.023 38.053 39.000 0.126 0.000 0.978 388 F HN -0.039 nan 8.300 nan 0.000 0.474 389 S N 0.506 116.292 115.700 0.144 0.000 2.399 389 S HA -0.129 4.344 4.470 0.005 0.000 0.231 389 S C 2.216 176.749 174.600 -0.112 0.000 1.022 389 S CA 0.875 59.080 58.200 0.008 0.000 0.983 389 S CB -0.836 62.587 63.200 0.371 0.000 0.803 389 S HN 0.555 nan 8.310 nan 0.000 0.480 390 A N 1.066 123.859 122.820 -0.045 0.000 2.070 390 A HA -0.124 4.199 4.320 0.005 0.000 0.220 390 A C 1.577 178.897 177.584 -0.440 0.000 1.159 390 A CA 1.299 53.205 52.037 -0.219 0.000 0.656 390 A CB -0.756 18.111 19.000 -0.221 0.000 0.800 390 A HN 0.531 nan 8.150 nan 0.000 0.453 391 H N -1.286 117.534 119.070 -0.417 0.000 2.489 391 H HA -0.076 4.482 4.556 0.005 0.000 0.295 391 H C 1.768 176.998 175.328 -0.164 0.000 1.082 391 H CA 1.430 57.324 56.048 -0.257 0.000 1.295 391 H CB -0.098 29.476 29.762 -0.313 0.000 1.380 391 H HN 0.415 nan 8.280 nan 0.000 0.548 392 L N -0.262 120.846 121.223 -0.192 0.000 2.044 392 L HA -0.102 4.241 4.340 0.005 0.000 0.205 392 L C 2.107 178.912 176.870 -0.108 0.000 1.075 392 L CA 1.080 55.824 54.840 -0.159 0.000 0.747 392 L CB -0.424 41.485 42.059 -0.250 0.000 0.903 392 L HN 0.100 nan 8.230 nan 0.000 0.435 393 V N -0.637 119.185 119.914 -0.153 0.000 2.427 393 V HA -0.299 3.824 4.120 0.005 0.000 0.248 393 V C 2.491 178.432 176.094 -0.253 0.000 1.051 393 V CA 1.985 64.209 62.300 -0.125 0.000 1.048 393 V CB -0.509 31.278 31.823 -0.060 0.000 0.666 393 V HN 0.418 nan 8.190 nan 0.000 0.456 394 M N -1.717 117.548 119.600 -0.558 0.000 2.254 394 M HA -0.016 4.466 4.480 0.005 0.000 0.265 394 M C 1.690 177.587 176.300 -0.672 0.000 1.066 394 M CA 1.941 56.733 55.300 -0.848 0.000 1.123 394 M CB -0.105 31.759 32.600 -1.226 0.000 1.388 394 M HN 0.339 nan 8.290 nan 0.000 0.425 395 F N -1.163 118.663 119.950 -0.208 0.000 2.727 395 F HA 0.267 4.797 4.527 0.005 0.000 0.302 395 F C 0.260 175.994 175.800 -0.110 0.000 1.107 395 F CA -0.386 57.530 58.000 -0.139 0.000 1.277 395 F CB 0.587 39.510 39.000 -0.128 0.000 1.079 395 F HN -0.087 nan 8.300 nan 0.000 0.594 396 L N 1.171 122.413 121.223 0.032 0.000 2.298 396 L HA 0.431 4.773 4.340 0.005 0.000 0.284 396 L C -0.224 176.618 176.870 -0.047 0.000 1.013 396 L CA -0.643 54.190 54.840 -0.013 0.000 0.824 396 L CB 0.430 42.479 42.059 -0.016 0.000 1.221 396 L HN -0.121 nan 8.230 nan 0.000 0.418 397 N N 4.592 123.246 118.700 -0.077 0.000 2.411 397 N HA 0.070 4.813 4.740 0.005 0.000 0.261 397 N C 0.147 175.604 175.510 -0.088 0.000 1.248 397 N CA 0.569 53.564 53.050 -0.093 0.000 0.885 397 N CB 0.355 38.761 38.487 -0.134 0.000 1.062 397 N HN 0.462 nan 8.380 nan 0.000 0.471 398 K N 0.181 120.550 120.400 -0.051 0.000 3.500 398 K HA -0.201 4.121 4.320 0.005 0.000 0.313 398 K C 1.091 177.681 176.600 -0.017 0.000 1.338 398 K CA 1.032 57.296 56.287 -0.038 0.000 0.963 398 K CB -2.135 30.324 32.500 -0.068 0.000 1.267 398 K HN 0.523 nan 8.250 nan 0.000 0.448 399 S N 0.588 116.285 115.700 -0.005 0.000 2.368 399 S HA 0.021 4.494 4.470 0.005 0.000 0.224 399 S C 1.804 176.418 174.600 0.024 0.000 1.029 399 S CA 1.276 59.490 58.200 0.024 0.000 0.988 399 S CB -0.011 63.200 63.200 0.019 0.000 0.838 399 S HN 0.435 nan 8.310 nan 0.000 0.462 400 L N 1.178 122.411 121.223 0.016 0.000 2.012 400 L HA -0.196 4.147 4.340 0.005 0.000 0.210 400 L C 1.818 178.590 176.870 -0.163 0.000 1.073 400 L CA 2.383 57.193 54.840 -0.051 0.000 0.748 400 L CB -0.626 41.485 42.059 0.086 0.000 0.891 400 L HN 0.288 nan 8.230 nan 0.000 0.431 401 D N -0.594 119.773 120.400 -0.056 0.000 2.123 401 D HA -0.249 4.394 4.640 0.005 0.000 0.196 401 D C 2.049 178.338 176.300 -0.019 0.000 0.992 401 D CA 1.374 55.342 54.000 -0.053 0.000 0.833 401 D CB -0.060 40.716 40.800 -0.039 0.000 0.954 401 D HN 0.352 nan 8.370 nan 0.000 0.455 402 E N 0.003 120.220 120.200 0.029 0.000 2.047 402 E HA -0.087 4.266 4.350 0.005 0.000 0.191 402 E C 2.014 178.790 176.600 0.294 0.000 0.987 402 E CA 0.901 57.394 56.400 0.156 0.000 0.799 402 E CB -0.103 29.707 29.700 0.183 0.000 0.752 402 E HN 0.231 nan 8.360 nan 0.000 0.449 403 M N 0.084 119.787 119.600 0.172 0.000 2.086 403 M HA -0.161 4.322 4.480 0.005 0.000 0.261 403 M C 1.956 178.339 176.300 0.137 0.000 1.067 403 M CA 2.012 57.428 55.300 0.193 0.000 1.116 403 M CB -0.388 32.311 32.600 0.165 0.000 1.348 403 M HN 0.100 nan 8.290 nan 0.000 0.407 404 D N 0.039 120.340 120.400 -0.165 0.000 2.178 404 D HA -0.178 4.465 4.640 0.005 0.000 0.201 404 D C 1.677 178.054 176.300 0.129 0.000 0.980 404 D CA 1.015 54.990 54.000 -0.043 0.000 0.842 404 D CB -0.013 40.653 40.800 -0.223 0.000 0.948 404 D HN 0.268 nan 8.370 nan 0.000 0.472 405 F N -0.586 119.325 119.950 -0.065 0.000 2.075 405 F HA -0.068 4.461 4.527 0.004 0.000 0.297 405 F C 1.589 177.274 175.800 -0.191 0.000 1.113 405 F CA 1.559 59.445 58.000 -0.190 0.000 1.218 405 F CB -0.570 38.191 39.000 -0.397 0.000 0.984 405 F HN 0.045 nan 8.300 nan 0.000 0.472 406 W N -0.009 121.331 121.300 0.068 0.000 2.407 406 W HA 0.029 4.693 4.660 0.005 0.000 0.305 406 W C 2.578 179.144 176.519 0.078 0.000 1.196 406 W CA 1.451 58.812 57.345 0.026 0.000 1.311 406 W CB -0.915 28.728 29.460 0.305 0.000 1.135 406 W HN 0.083 nan 8.180 nan 0.000 0.514 407 A N -0.140 122.866 122.820 0.310 0.000 1.871 407 A HA 0.168 4.491 4.320 0.005 0.000 0.211 407 A C 2.124 179.773 177.584 0.109 0.000 1.207 407 A CA 1.382 53.508 52.037 0.148 0.000 0.620 407 A CB -1.352 17.577 19.000 -0.118 0.000 0.860 407 A HN 0.243 nan 8.150 nan 0.000 0.450 408 G N -1.896 107.055 108.800 0.251 0.000 2.920 408 G HA2 0.264 4.227 3.960 0.005 0.000 0.208 408 G HA3 0.264 4.227 3.960 0.005 0.000 0.208 408 G C 1.022 176.107 174.900 0.309 0.000 1.159 408 G CA 1.483 46.831 45.100 0.412 0.000 0.784 408 G HN 0.445 nan 8.290 nan 0.000 0.535 409 T N 0.079 114.673 114.554 0.068 0.000 3.400 409 T HA 0.180 4.533 4.350 0.005 0.000 0.228 409 T C 2.115 176.627 174.700 -0.313 0.000 0.992 409 T CA -0.130 61.965 62.100 -0.007 0.000 1.222 409 T CB 0.023 68.890 68.868 -0.002 0.000 1.236 409 T HN -0.062 nan 8.240 nan 0.000 0.357 410 I N 2.272 122.465 120.570 -0.629 0.000 2.202 410 I HA -0.021 4.152 4.170 0.005 0.000 0.242 410 I C 2.872 178.767 176.117 -0.370 0.000 1.091 410 I CA 1.737 62.564 61.300 -0.789 0.000 1.368 410 I CB -1.849 35.594 38.000 -0.928 0.000 1.058 410 I HN 0.418 nan 8.210 nan 0.000 0.410 411 G N 1.571 110.286 108.800 -0.142 0.000 2.476 411 G HA2 -0.237 3.726 3.960 0.005 0.000 0.218 411 G HA3 -0.237 3.726 3.960 0.005 0.000 0.218 411 G C 1.824 176.727 174.900 0.006 0.000 1.164 411 G CA 1.863 47.005 45.100 0.070 0.000 0.768 411 G HN 0.397 nan 8.290 nan 0.000 0.560 412 V N -1.113 118.686 119.914 -0.192 0.000 2.427 412 V HA -0.089 4.033 4.120 0.005 0.000 0.248 412 V C 2.677 178.538 176.094 -0.389 0.000 1.051 412 V CA 1.766 63.900 62.300 -0.277 0.000 1.048 412 V CB -0.700 30.833 31.823 -0.482 0.000 0.666 412 V HN 0.159 nan 8.190 nan 0.000 0.456 413 V N 0.306 119.850 119.914 -0.615 0.000 2.323 413 V HA -0.149 3.973 4.120 0.005 0.000 0.244 413 V C 2.381 178.319 176.094 -0.260 0.000 1.041 413 V CA 2.395 64.226 62.300 -0.783 0.000 1.025 413 V CB -0.997 30.514 31.823 -0.519 0.000 0.656 413 V HN 0.627 nan 8.190 nan 0.000 0.451 414 F N 0.714 120.497 119.950 -0.279 0.000 2.091 414 F HA -0.269 4.260 4.527 0.004 0.000 0.299 414 F C 2.064 177.825 175.800 -0.065 0.000 1.103 414 F CA 1.993 59.887 58.000 -0.177 0.000 1.228 414 F CB -0.610 38.248 39.000 -0.237 0.000 0.984 414 F HN 0.171 nan 8.300 nan 0.000 0.477 415 F N 1.172 120.835 119.950 -0.478 0.000 2.234 415 F HA 0.105 4.634 4.527 0.004 0.000 0.299 415 F C 2.393 178.083 175.800 -0.182 0.000 1.087 415 F CA 1.328 59.063 58.000 -0.441 0.000 1.340 415 F CB -1.025 37.897 39.000 -0.130 0.000 1.031 415 F HN 0.047 nan 8.300 nan 0.000 0.500 416 G N 0.224 109.027 108.800 0.006 0.000 2.421 416 G HA2 -0.267 3.696 3.960 0.005 0.000 0.216 416 G HA3 -0.267 3.696 3.960 0.005 0.000 0.216 416 G C 1.613 176.478 174.900 -0.058 0.000 1.171 416 G CA 0.931 46.112 45.100 0.134 0.000 0.775 416 G HN 0.386 nan 8.290 nan 0.000 0.543 417 L N 0.939 122.093 121.223 -0.115 0.000 2.046 417 L HA 0.016 4.359 4.340 0.005 0.000 0.208 417 L C 2.907 179.566 176.870 -0.353 0.000 1.077 417 L CA 2.507 57.231 54.840 -0.194 0.000 0.747 417 L CB -0.947 41.033 42.059 -0.131 0.000 0.896 417 L HN 0.180 nan 8.230 nan 0.000 0.432 418 T N 0.128 114.388 114.554 -0.490 0.000 2.708 418 T HA -0.220 4.133 4.350 0.005 0.000 0.266 418 T C 1.611 175.966 174.700 -0.576 0.000 1.037 418 T CA 1.694 63.457 62.100 -0.561 0.000 1.146 418 T CB -0.310 68.103 68.868 -0.758 0.000 0.865 418 T HN 0.702 nan 8.240 nan 0.000 0.435 419 E N 1.165 121.015 120.200 -0.583 0.000 2.150 419 E HA -0.088 4.265 4.350 0.005 0.000 0.193 419 E C 2.331 178.762 176.600 -0.282 0.000 0.985 419 E CA 0.827 56.937 56.400 -0.484 0.000 0.814 419 E CB -0.537 28.969 29.700 -0.323 0.000 0.752 419 E HN 0.451 nan 8.360 nan 0.000 0.466 420 L N 0.778 121.851 121.223 -0.249 0.000 2.027 420 L HA -0.089 4.254 4.340 0.005 0.000 0.206 420 L C 2.527 179.224 176.870 -0.288 0.000 1.074 420 L CA 1.127 55.861 54.840 -0.177 0.000 0.745 420 L CB -0.110 41.807 42.059 -0.236 0.000 0.898 420 L HN 0.137 nan 8.230 nan 0.000 0.433 421 I N -0.101 120.168 120.570 -0.501 0.000 2.163 421 I HA -0.354 3.819 4.170 0.005 0.000 0.243 421 I C 2.392 178.340 176.117 -0.280 0.000 1.085 421 I CA 1.607 62.548 61.300 -0.597 0.000 1.347 421 I CB -0.275 37.385 38.000 -0.567 0.000 1.044 421 I HN 0.264 nan 8.210 nan 0.000 0.408 422 I N -0.343 120.036 120.570 -0.318 0.000 2.226 422 I HA -0.309 3.864 4.170 0.005 0.000 0.245 422 I C 2.421 178.523 176.117 -0.024 0.000 1.100 422 I CA 1.512 62.651 61.300 -0.269 0.000 1.374 422 I CB -0.273 37.414 38.000 -0.521 0.000 1.057 422 I HN 0.182 nan 8.210 nan 0.000 0.413 423 F N 0.255 120.112 119.950 -0.154 0.000 2.179 423 F HA -0.058 4.471 4.527 0.004 0.000 0.292 423 F C 1.947 177.822 175.800 0.123 0.000 1.089 423 F CA 1.263 59.249 58.000 -0.024 0.000 1.295 423 F CB -0.280 38.702 39.000 -0.031 0.000 1.041 423 F HN -0.122 nan 8.300 nan 0.000 0.487 424 F N -1.945 117.969 119.950 -0.059 0.000 2.749 424 F HA 0.048 4.578 4.527 0.005 0.000 0.300 424 F C 0.957 176.842 175.800 0.142 0.000 1.103 424 F CA 0.192 58.136 58.000 -0.094 0.000 1.342 424 F CB 0.101 39.049 39.000 -0.086 0.000 1.098 424 F HN -0.038 nan 8.300 nan 0.000 0.586 425 W N -0.713 120.544 121.300 -0.072 0.000 3.517 425 W HA 0.285 4.947 4.660 0.004 0.000 0.234 425 W C 1.987 178.401 176.519 -0.176 0.000 0.972 425 W CA 0.045 57.309 57.345 -0.133 0.000 2.002 425 W CB -0.986 28.399 29.460 -0.125 0.000 1.018 425 W HN -0.238 nan 8.180 nan 0.000 0.712 426 I N -0.347 120.253 120.570 0.050 0.000 2.193 426 I HA -0.248 3.925 4.170 0.005 0.000 0.240 426 I C 2.366 178.471 176.117 -0.020 0.000 1.084 426 I CA 1.438 62.676 61.300 -0.103 0.000 1.365 426 I CB -0.858 36.908 38.000 -0.390 0.000 1.064 426 I HN -0.197 nan 8.210 nan 0.000 0.410 427 F N 1.929 121.806 119.950 -0.122 0.000 2.202 427 F HA 0.064 4.594 4.527 0.004 0.000 0.301 427 F C 1.068 176.758 175.800 -0.183 0.000 1.082 427 F CA 1.169 59.098 58.000 -0.118 0.000 1.313 427 F CB -0.281 38.645 39.000 -0.123 0.000 1.024 427 F HN 0.128 nan 8.300 nan 0.000 0.495 428 G N -1.038 107.591 108.800 -0.284 0.000 3.101 428 G HA2 0.291 4.254 3.960 0.005 0.000 0.672 428 G HA3 0.291 4.254 3.960 0.005 0.000 0.672 428 G C 0.310 174.916 174.900 -0.491 0.000 1.331 428 G CA -0.458 44.410 45.100 -0.387 0.000 0.925 428 G HN 0.614 nan 8.290 nan 0.000 0.596 429 A N 1.494 124.049 122.820 -0.442 0.000 1.883 429 A HA 0.002 4.324 4.320 0.005 0.000 0.217 429 A C 2.010 179.271 177.584 -0.537 0.000 1.186 429 A CA 2.494 54.086 52.037 -0.741 0.000 0.624 429 A CB -0.270 18.512 19.000 -0.364 0.000 0.822 429 A HN 0.707 nan 8.150 nan 0.000 0.444 430 D N -0.414 119.854 120.400 -0.221 0.000 2.183 430 D HA -0.080 4.563 4.640 0.005 0.000 0.203 430 D C 1.857 178.081 176.300 -0.127 0.000 0.969 430 D CA 1.109 55.059 54.000 -0.084 0.000 0.842 430 D CB -0.223 40.519 40.800 -0.097 0.000 0.957 430 D HN 0.497 nan 8.370 nan 0.000 0.484 431 K N 0.890 121.113 120.400 -0.294 0.000 2.057 431 K HA -0.012 4.311 4.320 0.005 0.000 0.206 431 K C 2.196 178.667 176.600 -0.215 0.000 1.050 431 K CA 0.937 57.031 56.287 -0.321 0.000 0.935 431 K CB 0.013 32.079 32.500 -0.723 0.000 0.715 431 K HN -0.012 nan 8.250 nan 0.000 0.439 432 A N 1.536 124.077 122.820 -0.465 0.000 1.877 432 A HA -0.191 4.132 4.320 0.005 0.000 0.216 432 A C 1.927 179.382 177.584 -0.216 0.000 1.186 432 A CA 1.055 52.640 52.037 -0.753 0.000 0.620 432 A CB -0.962 17.103 19.000 -1.558 0.000 0.822 432 A HN 0.606 nan 8.150 nan 0.000 0.443 433 W N 0.917 122.011 121.300 -0.343 0.000 2.358 433 W HA -0.216 4.447 4.660 0.004 0.000 0.303 433 W C 1.878 178.399 176.519 0.002 0.000 1.208 433 W CA 2.257 59.599 57.345 -0.005 0.000 1.274 433 W CB -0.133 29.401 29.460 0.123 0.000 1.138 433 W HN 0.525 nan 8.180 nan 0.000 0.515 434 E N 0.949 121.176 120.200 0.044 0.000 2.077 434 E HA -0.296 4.056 4.350 0.005 0.000 0.193 434 E C 1.913 178.497 176.600 -0.026 0.000 0.989 434 E CA 2.130 58.515 56.400 -0.024 0.000 0.800 434 E CB -0.476 29.237 29.700 0.023 0.000 0.746 434 E HN 0.129 nan 8.360 nan 0.000 0.452 435 E N 0.180 120.419 120.200 0.066 0.000 2.077 435 E HA -0.129 4.224 4.350 0.005 0.000 0.193 435 E C 1.935 178.606 176.600 0.118 0.000 0.989 435 E CA 1.483 57.983 56.400 0.167 0.000 0.800 435 E CB -0.324 29.574 29.700 0.329 0.000 0.746 435 E HN 0.451 nan 8.360 nan 0.000 0.452 436 I N 0.796 121.411 120.570 0.075 0.000 2.127 436 I HA -0.284 3.889 4.170 0.005 0.000 0.241 436 I C 1.990 177.972 176.117 -0.226 0.000 1.075 436 I CA 1.276 62.556 61.300 -0.034 0.000 1.334 436 I CB -0.367 37.587 38.000 -0.077 0.000 1.040 436 I HN 0.143 nan 8.210 nan 0.000 0.405 437 N N 0.729 119.206 118.700 -0.373 0.000 2.457 437 N HA -0.079 4.664 4.740 0.005 0.000 0.180 437 N C 0.909 176.291 175.510 -0.212 0.000 1.050 437 N CA 0.220 53.029 53.050 -0.402 0.000 0.906 437 N CB -0.113 38.039 38.487 -0.559 0.000 0.968 437 N HN 0.285 nan 8.380 nan 0.000 0.445 438 R N 0.697 121.125 120.500 -0.119 0.000 2.458 438 R HA 0.068 4.410 4.340 0.005 0.000 0.303 438 R C 0.802 177.082 176.300 -0.032 0.000 1.013 438 R CA 0.960 57.032 56.100 -0.047 0.000 1.026 438 R CB -0.113 30.196 30.300 0.014 0.000 0.948 438 R HN 0.299 nan 8.270 nan 0.000 0.417 439 G N 2.636 111.416 108.800 -0.033 0.000 2.179 439 G HA2 -0.257 3.705 3.960 0.005 0.000 0.260 439 G HA3 -0.257 3.705 3.960 0.005 0.000 0.260 439 G C 0.353 175.228 174.900 -0.042 0.000 0.977 439 G CA -0.047 45.041 45.100 -0.021 0.000 0.641 439 G HN 0.930 nan 8.290 nan 0.000 0.533 440 G N -0.364 108.385 108.800 -0.085 0.000 2.365 440 G HA2 0.494 4.457 3.960 0.005 0.000 0.249 440 G HA3 0.494 4.457 3.960 0.005 0.000 0.249 440 G C 1.217 176.063 174.900 -0.091 0.000 1.288 440 G CA 0.015 45.045 45.100 -0.117 0.000 0.887 440 G HN 0.390 nan 8.290 nan 0.000 0.524 441 I N 1.831 122.355 120.570 -0.077 0.000 2.226 441 I HA -0.055 4.118 4.170 0.005 0.000 0.245 441 I C 1.315 177.394 176.117 -0.063 0.000 1.100 441 I CA 1.179 62.445 61.300 -0.056 0.000 1.374 441 I CB -0.243 37.731 38.000 -0.043 0.000 1.057 441 I HN 0.558 nan 8.210 nan 0.000 0.413 442 I N -2.559 117.959 120.570 -0.087 0.000 2.910 442 I HA 0.427 4.600 4.170 0.005 0.000 0.310 442 I C -0.420 175.601 176.117 -0.159 0.000 1.043 442 I CA -0.905 60.341 61.300 -0.091 0.000 1.053 442 I CB 1.479 39.442 38.000 -0.061 0.000 1.242 442 I HN -0.199 nan 8.210 nan 0.000 0.452 443 K N 2.329 122.642 120.400 -0.146 0.000 2.098 443 K HA 0.524 4.847 4.320 0.005 0.000 0.258 443 K C -0.948 175.492 176.600 -0.268 0.000 0.973 443 K CA -0.895 55.263 56.287 -0.215 0.000 0.898 443 K CB 2.227 34.659 32.500 -0.115 0.000 1.057 443 K HN 0.442 nan 8.250 nan 0.000 0.447 444 V N 4.318 123.952 119.914 -0.468 0.000 2.521 444 V HA 0.048 4.171 4.120 0.005 0.000 0.286 444 V C -2.055 174.076 176.094 0.062 0.000 1.034 444 V CA -1.463 60.540 62.300 -0.495 0.000 1.045 444 V CB 0.235 31.532 31.823 -0.878 0.000 0.974 444 V HN 0.662 nan 8.190 nan 0.000 0.480 445 P HA -0.001 nan 4.420 nan 0.000 0.263 445 P C 0.900 178.472 177.300 0.452 0.000 1.175 445 P CA 0.208 63.501 63.100 0.322 0.000 0.761 445 P CB 0.407 32.330 31.700 0.372 0.000 0.794 446 R N 3.163 123.864 120.500 0.334 0.000 2.117 446 R HA -0.209 4.134 4.340 0.005 0.000 0.243 446 R C 1.856 178.297 176.300 0.236 0.000 1.143 446 R CA 1.519 57.775 56.100 0.260 0.000 0.968 446 R CB -0.613 29.788 30.300 0.168 0.000 0.863 446 R HN 0.392 nan 8.270 nan 0.000 0.444 447 I N 0.303 121.013 120.570 0.232 0.000 2.335 447 I HA -0.293 3.880 4.170 0.005 0.000 0.251 447 I C 1.368 177.593 176.117 0.181 0.000 1.129 447 I CA 1.537 62.951 61.300 0.190 0.000 1.402 447 I CB -0.173 37.839 38.000 0.019 0.000 1.069 447 I HN 0.237 nan 8.210 nan 0.000 0.424 448 Y N -1.470 118.984 120.300 0.256 0.000 2.497 448 Y HA -0.294 4.259 4.550 0.004 0.000 0.292 448 Y C 2.238 178.235 175.900 0.161 0.000 1.137 448 Y CA 1.594 59.848 58.100 0.258 0.000 1.285 448 Y CB -0.469 38.231 38.460 0.400 0.000 0.991 448 Y HN 0.335 nan 8.280 nan 0.000 0.556 449 Y N -0.711 119.535 120.300 -0.089 0.000 2.145 449 Y HA -0.357 4.196 4.550 0.005 0.000 0.286 449 Y C 1.598 177.299 175.900 -0.332 0.000 1.145 449 Y CA 1.711 59.497 58.100 -0.525 0.000 1.148 449 Y CB -0.715 36.931 38.460 -1.357 0.000 0.981 449 Y HN 0.127 nan 8.280 nan 0.000 0.507 450 Y N -1.446 118.889 120.300 0.059 0.000 2.337 450 Y HA -0.119 4.434 4.550 0.005 0.000 0.293 450 Y C 2.454 178.398 175.900 0.074 0.000 1.123 450 Y CA 1.132 59.317 58.100 0.141 0.000 1.201 450 Y CB -0.744 37.841 38.460 0.209 0.000 1.011 450 Y HN -0.043 nan 8.280 nan 0.000 0.545 451 V N 0.067 120.062 119.914 0.134 0.000 2.261 451 V HA -0.362 3.761 4.120 0.005 0.000 0.246 451 V C 2.234 178.303 176.094 -0.042 0.000 1.047 451 V CA 2.133 64.467 62.300 0.056 0.000 1.015 451 V CB -0.630 31.205 31.823 0.019 0.000 0.642 451 V HN 0.419 nan 8.190 nan 0.000 0.446 452 M N -0.798 118.689 119.600 -0.188 0.000 2.117 452 M HA -0.191 4.291 4.480 0.005 0.000 0.262 452 M C 2.454 178.342 176.300 -0.686 0.000 1.065 452 M CA 1.895 56.869 55.300 -0.544 0.000 1.114 452 M CB -0.432 31.556 32.600 -1.021 0.000 1.361 452 M HN 0.168 nan 8.290 nan 0.000 0.408 453 R N -0.820 119.275 120.500 -0.674 0.000 2.093 453 R HA -0.106 4.237 4.340 0.005 0.000 0.224 453 R C 1.247 177.373 176.300 -0.290 0.000 1.101 453 R CA 1.453 57.271 56.100 -0.471 0.000 0.979 453 R CB 0.245 30.044 30.300 -0.835 0.000 0.877 453 R HN 0.351 nan 8.270 nan 0.000 0.441 454 Y N -1.457 118.904 120.300 0.102 0.000 2.678 454 Y HA 0.161 4.714 4.550 0.004 0.000 0.274 454 Y C 1.932 177.913 175.900 0.134 0.000 1.114 454 Y CA -0.343 57.855 58.100 0.163 0.000 1.274 454 Y CB 0.050 38.583 38.460 0.121 0.000 1.438 454 Y HN -0.136 nan 8.280 nan 0.000 0.493 455 I N 0.193 120.906 120.570 0.238 0.000 2.193 455 I HA -0.182 3.990 4.170 0.005 0.000 0.240 455 I C 2.004 178.211 176.117 0.151 0.000 1.084 455 I CA 1.653 63.056 61.300 0.171 0.000 1.365 455 I CB -1.651 36.411 38.000 0.103 0.000 1.064 455 I HN 0.216 nan 8.210 nan 0.000 0.410 456 T N 2.803 117.396 114.554 0.065 0.000 2.652 456 T HA -0.081 4.272 4.350 0.005 0.000 0.267 456 T C -0.337 174.422 174.700 0.098 0.000 1.039 456 T CA 1.823 63.950 62.100 0.045 0.000 1.153 456 T CB -1.523 67.316 68.868 -0.050 0.000 0.863 456 T HN 0.295 nan 8.240 nan 0.000 0.428 457 P HA 0.040 nan 4.420 nan 0.000 0.217 457 P C 1.432 178.791 177.300 0.099 0.000 1.150 457 P CA 1.290 64.373 63.100 -0.029 0.000 0.832 457 P CB -0.181 31.389 31.700 -0.218 0.000 0.787 458 A N -0.547 122.382 122.820 0.181 0.000 1.898 458 A HA -0.156 4.166 4.320 0.005 0.000 0.216 458 A C 2.166 179.848 177.584 0.163 0.000 1.181 458 A CA 1.107 53.252 52.037 0.179 0.000 0.620 458 A CB -1.830 17.285 19.000 0.192 0.000 0.819 458 A HN 0.098 nan 8.150 nan 0.000 0.442 459 F N 0.610 120.592 119.950 0.053 0.000 2.095 459 F HA -0.180 4.349 4.527 0.004 0.000 0.298 459 F C 1.959 177.803 175.800 0.072 0.000 1.104 459 F CA 1.949 59.975 58.000 0.044 0.000 1.232 459 F CB -0.137 38.895 39.000 0.053 0.000 0.987 459 F HN 0.140 nan 8.300 nan 0.000 0.475 460 L N -0.728 120.675 121.223 0.300 0.000 2.109 460 L HA -0.104 4.239 4.340 0.005 0.000 0.207 460 L C 2.715 179.656 176.870 0.118 0.000 1.086 460 L CA 0.872 55.849 54.840 0.229 0.000 0.760 460 L CB -1.131 41.069 42.059 0.235 0.000 0.910 460 L HN 0.197 nan 8.230 nan 0.000 0.437 461 A N -0.033 122.840 122.820 0.088 0.000 1.873 461 A HA -0.129 4.194 4.320 0.005 0.000 0.215 461 A C 2.330 179.947 177.584 0.055 0.000 1.186 461 A CA 1.621 53.701 52.037 0.073 0.000 0.616 461 A CB -0.772 18.276 19.000 0.080 0.000 0.823 461 A HN 0.166 nan 8.150 nan 0.000 0.442 462 V N -0.324 119.597 119.914 0.010 0.000 2.343 462 V HA -0.239 3.884 4.120 0.005 0.000 0.247 462 V C 2.501 178.573 176.094 -0.036 0.000 1.051 462 V CA 1.937 64.216 62.300 -0.035 0.000 1.036 462 V CB -0.803 30.953 31.823 -0.112 0.000 0.654 462 V HN 0.576 nan 8.190 nan 0.000 0.451 463 L N -0.604 120.582 121.223 -0.062 0.000 2.017 463 L HA -0.154 4.189 4.340 0.005 0.000 0.208 463 L C 2.227 179.223 176.870 0.210 0.000 1.073 463 L CA 1.878 56.721 54.840 0.006 0.000 0.745 463 L CB -0.314 41.754 42.059 0.016 0.000 0.894 463 L HN 0.197 nan 8.230 nan 0.000 0.432 464 L N -1.871 119.482 121.223 0.216 0.000 2.141 464 L HA -0.186 4.157 4.340 0.005 0.000 0.209 464 L C 2.325 179.313 176.870 0.196 0.000 1.094 464 L CA 0.660 55.637 54.840 0.228 0.000 0.763 464 L CB -0.404 41.721 42.059 0.111 0.000 0.908 464 L HN 0.126 nan 8.230 nan 0.000 0.437 465 V N -0.944 119.056 119.914 0.143 0.000 2.270 465 V HA -0.229 3.894 4.120 0.005 0.000 0.245 465 V C 2.364 178.553 176.094 0.158 0.000 1.043 465 V CA 1.459 63.833 62.300 0.123 0.000 1.014 465 V CB -0.138 31.735 31.823 0.082 0.000 0.645 465 V HN 0.171 nan 8.190 nan 0.000 0.447 466 V N -1.172 118.836 119.914 0.156 0.000 2.407 466 V HA -0.256 3.867 4.120 0.005 0.000 0.248 466 V C 2.138 178.435 176.094 0.337 0.000 1.055 466 V CA 1.923 64.335 62.300 0.187 0.000 1.049 466 V CB -0.685 31.209 31.823 0.118 0.000 0.662 466 V HN 0.714 nan 8.190 nan 0.000 0.455 467 W N 1.018 122.392 121.300 0.124 0.000 2.333 467 W HA -0.223 4.440 4.660 0.006 0.000 0.316 467 W C 2.576 179.198 176.519 0.172 0.000 1.215 467 W CA 2.367 59.790 57.345 0.130 0.000 1.278 467 W CB -0.787 28.685 29.460 0.020 0.000 1.154 467 W HN 0.278 nan 8.180 nan 0.000 0.486 468 A N 0.065 123.109 122.820 0.373 0.000 2.014 468 A HA -0.110 4.213 4.320 0.005 0.000 0.218 468 A C 2.116 179.818 177.584 0.198 0.000 1.163 468 A CA 1.433 53.600 52.037 0.217 0.000 0.652 468 A CB -0.457 18.613 19.000 0.117 0.000 0.808 468 A HN 0.355 nan 8.150 nan 0.000 0.449 469 R N -1.120 119.495 120.500 0.192 0.000 2.146 469 R HA 0.099 4.442 4.340 0.005 0.000 0.206 469 R C 0.987 177.345 176.300 0.097 0.000 1.049 469 R CA 0.836 57.011 56.100 0.126 0.000 1.029 469 R CB 0.099 30.457 30.300 0.097 0.000 0.949 469 R HN 0.314 nan 8.270 nan 0.000 0.471 470 E N -0.899 119.372 120.200 0.118 0.000 2.498 470 E HA 0.076 4.429 4.350 0.005 0.000 0.203 470 E C 0.160 176.575 176.600 -0.308 0.000 1.013 470 E CA 0.386 56.737 56.400 -0.082 0.000 0.927 470 E CB 0.777 30.401 29.700 -0.127 0.000 1.012 470 E HN 0.351 nan 8.360 nan 0.000 0.482 471 Y N -1.004 119.371 120.300 0.125 0.000 2.844 471 Y HA 0.140 4.692 4.550 0.004 0.000 0.256 471 Y C 1.989 177.979 175.900 0.152 0.000 1.134 471 Y CA -0.096 58.085 58.100 0.135 0.000 1.209 471 Y CB 0.113 38.666 38.460 0.154 0.000 1.418 471 Y HN -0.061 nan 8.280 nan 0.000 0.459 472 I N -0.636 120.151 120.570 0.361 0.000 2.876 472 I HA 0.126 4.299 4.170 0.005 0.000 0.264 472 I C -1.053 175.135 176.117 0.118 0.000 1.204 472 I CA 0.022 61.469 61.300 0.245 0.000 1.485 472 I CB -1.024 37.166 38.000 0.316 0.000 1.103 472 I HN -0.057 nan 8.210 nan 0.000 0.446 473 P HA -0.136 nan 4.420 nan 0.000 0.222 473 P C 1.120 178.448 177.300 0.047 0.000 1.147 473 P CA 1.433 64.581 63.100 0.080 0.000 0.790 473 P CB -0.109 31.635 31.700 0.074 0.000 0.780 474 K N -0.648 119.775 120.400 0.038 0.000 2.362 474 K HA 0.005 4.327 4.320 0.005 0.000 0.200 474 K C 2.014 178.606 176.600 -0.013 0.000 1.046 474 K CA 0.858 57.154 56.287 0.015 0.000 0.952 474 K CB -0.260 32.250 32.500 0.016 0.000 0.753 474 K HN 0.252 nan 8.250 nan 0.000 0.466 475 I N -0.118 120.422 120.570 -0.051 0.000 2.685 475 I HA -0.094 4.079 4.170 0.005 0.000 0.251 475 I C 2.034 178.079 176.117 -0.120 0.000 1.102 475 I CA 0.291 61.501 61.300 -0.150 0.000 1.442 475 I CB -0.080 37.699 38.000 -0.368 0.000 1.194 475 I HN 0.042 nan 8.210 nan 0.000 0.448 476 M N 0.512 120.070 119.600 -0.069 0.000 2.530 476 M HA -0.207 4.276 4.480 0.005 0.000 0.261 476 M C 1.855 178.191 176.300 0.061 0.000 1.067 476 M CA 1.661 56.968 55.300 0.012 0.000 1.071 476 M CB -0.863 31.800 32.600 0.106 0.000 1.405 476 M HN 0.375 nan 8.290 nan 0.000 0.478 477 E N -0.486 119.744 120.200 0.051 0.000 2.367 477 E HA -0.016 4.337 4.350 0.005 0.000 0.204 477 E C 0.513 177.151 176.600 0.064 0.000 0.840 477 E CA 0.020 56.469 56.400 0.080 0.000 1.051 477 E CB 0.695 30.439 29.700 0.073 0.000 1.051 477 E HN 0.232 nan 8.360 nan 0.000 0.509 478 E N 1.880 122.099 120.200 0.031 0.000 2.349 478 E HA 0.071 4.424 4.350 0.005 0.000 0.201 478 E C -0.271 176.341 176.600 0.020 0.000 1.087 478 E CA 0.157 56.574 56.400 0.028 0.000 1.128 478 E CB 0.800 30.509 29.700 0.015 0.000 1.188 478 E HN 0.234 nan 8.360 nan 0.000 0.445 479 T N -2.804 111.766 114.554 0.026 0.000 2.942 479 T HA 0.255 4.607 4.350 0.005 0.000 0.289 479 T C 0.183 174.937 174.700 0.090 0.000 1.044 479 T CA -0.786 61.329 62.100 0.026 0.000 1.023 479 T CB 2.103 70.947 68.868 -0.040 0.000 1.123 479 T HN 0.119 nan 8.240 nan 0.000 0.512 480 H N 1.137 120.198 119.070 -0.015 0.000 2.790 480 H HA -0.002 4.557 4.556 0.005 0.000 0.358 480 H C 1.105 176.445 175.328 0.021 0.000 1.103 480 H CA 0.061 56.096 56.048 -0.022 0.000 1.426 480 H CB 0.573 30.248 29.762 -0.145 0.000 1.424 480 H HN 0.925 nan 8.280 nan 0.000 0.599 481 W N 3.929 125.050 121.300 -0.299 0.000 2.392 481 W HA -0.165 4.498 4.660 0.005 0.000 0.279 481 W C 1.165 177.792 176.519 0.179 0.000 1.225 481 W CA 1.243 58.591 57.345 0.006 0.000 1.233 481 W CB -1.171 28.236 29.460 -0.088 0.000 1.122 481 W HN 0.544 nan 8.180 nan 0.000 0.561 482 T N 0.383 114.621 114.554 -0.526 0.000 3.025 482 T HA -0.173 4.179 4.350 0.005 0.000 0.270 482 T C 1.937 176.618 174.700 -0.031 0.000 1.126 482 T CA 1.684 63.519 62.100 -0.442 0.000 1.105 482 T CB -1.072 67.471 68.868 -0.541 0.000 0.884 482 T HN 0.208 nan 8.240 nan 0.000 0.522 483 V N -2.369 117.549 119.914 0.006 0.000 2.469 483 V HA -0.091 4.032 4.120 0.005 0.000 0.251 483 V C 2.187 178.290 176.094 0.015 0.000 1.064 483 V CA 0.929 63.214 62.300 -0.024 0.000 1.066 483 V CB -1.531 30.214 31.823 -0.129 0.000 0.667 483 V HN 0.633 nan 8.190 nan 0.000 0.461 484 W N 0.329 121.741 121.300 0.187 0.000 2.425 484 W HA 0.129 4.792 4.660 0.005 0.000 0.277 484 W C 2.305 178.975 176.519 0.251 0.000 1.231 484 W CA 0.967 58.441 57.345 0.214 0.000 1.248 484 W CB -0.359 29.225 29.460 0.207 0.000 1.117 484 W HN 0.226 nan 8.180 nan 0.000 0.568 485 I N -0.489 120.331 120.570 0.417 0.000 2.226 485 I HA -0.298 3.875 4.170 0.005 0.000 0.245 485 I C 2.253 178.598 176.117 0.380 0.000 1.100 485 I CA 1.507 63.028 61.300 0.368 0.000 1.374 485 I CB -1.030 37.109 38.000 0.232 0.000 1.057 485 I HN -0.142 nan 8.210 nan 0.000 0.413 486 T N 0.357 115.077 114.554 0.276 0.000 2.770 486 T HA -0.082 4.271 4.350 0.005 0.000 0.263 486 T C 2.029 176.914 174.700 0.307 0.000 1.039 486 T CA 1.032 63.295 62.100 0.272 0.000 1.142 486 T CB -0.186 68.800 68.868 0.196 0.000 0.868 486 T HN 0.258 nan 8.240 nan 0.000 0.435 487 R N 0.308 120.955 120.500 0.244 0.000 2.094 487 R HA -0.094 4.249 4.340 0.005 0.000 0.239 487 R C 2.211 178.673 176.300 0.270 0.000 1.137 487 R CA 1.738 57.932 56.100 0.157 0.000 0.943 487 R CB -0.705 29.597 30.300 0.003 0.000 0.850 487 R HN 0.345 nan 8.270 nan 0.000 0.433 488 F N 0.571 120.679 119.950 0.264 0.000 2.091 488 F HA -0.308 4.221 4.527 0.004 0.000 0.299 488 F C 2.225 178.164 175.800 0.232 0.000 1.103 488 F CA 1.588 59.734 58.000 0.244 0.000 1.228 488 F CB -0.583 38.576 39.000 0.266 0.000 0.984 488 F HN 0.012 nan 8.300 nan 0.000 0.477 489 Y N 1.285 121.653 120.300 0.113 0.000 2.200 489 Y HA -0.163 4.389 4.550 0.004 0.000 0.290 489 Y C 2.273 178.214 175.900 0.069 0.000 1.137 489 Y CA 2.208 60.314 58.100 0.010 0.000 1.163 489 Y CB -0.553 37.991 38.460 0.140 0.000 0.988 489 Y HN 0.281 nan 8.280 nan 0.000 0.518 490 I N -2.434 118.253 120.570 0.194 0.000 2.617 490 I HA -0.095 4.078 4.170 0.005 0.000 0.256 490 I C 1.895 178.221 176.117 0.348 0.000 1.167 490 I CA 1.156 62.640 61.300 0.306 0.000 1.469 490 I CB -0.558 37.714 38.000 0.453 0.000 1.098 490 I HN 0.139 nan 8.210 nan 0.000 0.436 491 I N 2.452 123.076 120.570 0.088 0.000 2.252 491 I HA -0.142 4.031 4.170 0.005 0.000 0.245 491 I C 2.828 178.898 176.117 -0.079 0.000 1.102 491 I CA 1.606 62.869 61.300 -0.062 0.000 1.385 491 I CB -0.843 37.096 38.000 -0.100 0.000 1.064 491 I HN 0.363 nan 8.210 nan 0.000 0.414 492 G N 1.128 109.798 108.800 -0.217 0.000 2.469 492 G HA2 -0.233 3.730 3.960 0.005 0.000 0.219 492 G HA3 -0.233 3.730 3.960 0.005 0.000 0.219 492 G C 1.717 176.549 174.900 -0.113 0.000 1.150 492 G CA 0.648 45.589 45.100 -0.264 0.000 0.763 492 G HN 0.272 nan 8.290 nan 0.000 0.561 493 L N -0.969 120.193 121.223 -0.101 0.000 2.046 493 L HA -0.024 4.319 4.340 0.005 0.000 0.208 493 L C 2.565 179.603 176.870 0.280 0.000 1.077 493 L CA 1.046 55.960 54.840 0.123 0.000 0.747 493 L CB -0.385 41.764 42.059 0.149 0.000 0.896 493 L HN 0.262 nan 8.230 nan 0.000 0.432 494 F N 0.408 120.396 119.950 0.063 0.000 2.134 494 F HA -0.235 4.295 4.527 0.005 0.000 0.299 494 F C 2.203 177.880 175.800 -0.205 0.000 1.097 494 F CA 1.499 59.342 58.000 -0.262 0.000 1.264 494 F CB -0.001 38.521 39.000 -0.798 0.000 1.001 494 F HN -0.105 nan 8.300 nan 0.000 0.479 495 L N -1.145 120.126 121.223 0.081 0.000 2.109 495 L HA -0.177 4.166 4.340 0.005 0.000 0.207 495 L C 2.350 179.235 176.870 0.024 0.000 1.086 495 L CA 0.978 55.837 54.840 0.030 0.000 0.760 495 L CB -0.905 41.161 42.059 0.011 0.000 0.910 495 L HN 0.229 nan 8.230 nan 0.000 0.437 496 F N 1.145 121.050 119.950 -0.076 0.000 2.095 496 F HA -0.228 4.302 4.527 0.004 0.000 0.298 496 F C 2.101 177.882 175.800 -0.032 0.000 1.104 496 F CA 1.618 59.602 58.000 -0.026 0.000 1.232 496 F CB -0.329 38.645 39.000 -0.044 0.000 0.987 496 F HN -0.127 nan 8.300 nan 0.000 0.475 497 L N -0.415 120.558 121.223 -0.417 0.000 2.093 497 L HA -0.180 4.163 4.340 0.005 0.000 0.208 497 L C 2.336 178.873 176.870 -0.555 0.000 1.085 497 L CA 1.592 56.050 54.840 -0.637 0.000 0.755 497 L CB -1.143 40.598 42.059 -0.530 0.000 0.904 497 L HN 0.145 nan 8.230 nan 0.000 0.435 498 T N -0.203 114.074 114.554 -0.460 0.000 2.746 498 T HA -0.222 4.131 4.350 0.005 0.000 0.267 498 T C 1.617 176.263 174.700 -0.091 0.000 1.039 498 T CA 1.391 63.310 62.100 -0.302 0.000 1.142 498 T CB -0.350 68.387 68.868 -0.217 0.000 0.866 498 T HN 0.198 nan 8.240 nan 0.000 0.444 499 F N 1.731 121.552 119.950 -0.215 0.000 2.171 499 F HA 0.056 4.586 4.527 0.005 0.000 0.300 499 F C 1.859 177.622 175.800 -0.060 0.000 1.090 499 F CA 0.765 58.693 58.000 -0.119 0.000 1.293 499 F CB -0.520 38.408 39.000 -0.120 0.000 1.013 499 F HN 0.070 nan 8.300 nan 0.000 0.486 500 L N -1.053 119.988 121.223 -0.303 0.000 2.093 500 L HA -0.183 4.160 4.340 0.005 0.000 0.208 500 L C 2.374 179.227 176.870 -0.029 0.000 1.085 500 L CA 0.845 55.526 54.840 -0.267 0.000 0.755 500 L CB -0.943 40.952 42.059 -0.274 0.000 0.904 500 L HN -0.022 nan 8.230 nan 0.000 0.435 501 V N -0.142 119.729 119.914 -0.071 0.000 2.343 501 V HA -0.321 3.802 4.120 0.005 0.000 0.247 501 V C 2.282 178.355 176.094 -0.035 0.000 1.051 501 V CA 1.940 64.244 62.300 0.006 0.000 1.036 501 V CB -0.604 31.136 31.823 -0.139 0.000 0.654 501 V HN 0.341 nan 8.190 nan 0.000 0.451 502 F N 0.436 120.274 119.950 -0.187 0.000 2.095 502 F HA -0.217 4.313 4.527 0.005 0.000 0.298 502 F C 2.056 177.709 175.800 -0.245 0.000 1.104 502 F CA 1.825 59.713 58.000 -0.187 0.000 1.232 502 F CB -0.217 38.702 39.000 -0.136 0.000 0.987 502 F HN 0.033 nan 8.300 nan 0.000 0.475 503 L N -0.222 120.837 121.223 -0.273 0.000 2.141 503 L HA -0.163 4.180 4.340 0.005 0.000 0.209 503 L C 2.742 179.426 176.870 -0.310 0.000 1.094 503 L CA 0.980 55.603 54.840 -0.363 0.000 0.763 503 L CB -1.087 40.726 42.059 -0.410 0.000 0.908 503 L HN 0.281 nan 8.230 nan 0.000 0.437 504 A N 0.784 123.462 122.820 -0.237 0.000 1.929 504 A HA -0.192 4.130 4.320 0.005 0.000 0.216 504 A C 2.179 179.632 177.584 -0.218 0.000 1.176 504 A CA 1.495 53.401 52.037 -0.219 0.000 0.628 504 A CB -0.373 18.515 19.000 -0.187 0.000 0.816 504 A HN 0.617 nan 8.150 nan 0.000 0.444 505 E N -1.201 118.844 120.200 -0.259 0.000 2.285 505 E HA -0.100 4.253 4.350 0.005 0.000 0.194 505 E C 1.768 178.194 176.600 -0.291 0.000 0.997 505 E CA 0.358 56.596 56.400 -0.269 0.000 0.845 505 E CB -0.147 29.374 29.700 -0.299 0.000 0.782 505 E HN 0.269 nan 8.360 nan 0.000 0.491 506 R N 0.963 121.230 120.500 -0.388 0.000 2.119 506 R HA 0.083 4.426 4.340 0.005 0.000 0.222 506 R C 2.238 178.425 176.300 -0.189 0.000 1.088 506 R CA 0.729 56.626 56.100 -0.338 0.000 0.984 506 R CB -0.607 29.405 30.300 -0.480 0.000 0.884 506 R HN 0.232 nan 8.270 nan 0.000 0.447 507 R N 0.907 121.295 120.500 -0.186 0.000 2.115 507 R HA -0.030 4.312 4.340 0.005 0.000 0.230 507 R C 2.189 178.459 176.300 -0.050 0.000 1.111 507 R CA 1.043 57.076 56.100 -0.113 0.000 0.976 507 R CB -0.059 30.154 30.300 -0.144 0.000 0.870 507 R HN 0.064 nan 8.270 nan 0.000 0.445 508 R N 0.509 120.957 120.500 -0.087 0.000 2.081 508 R HA -0.108 4.235 4.340 0.005 0.000 0.235 508 R C 1.626 177.901 176.300 -0.042 0.000 1.131 508 R CA 2.057 58.121 56.100 -0.059 0.000 0.960 508 R CB -0.252 30.003 30.300 -0.075 0.000 0.856 508 R HN 0.401 nan 8.270 nan 0.000 0.436 509 N N -0.646 118.021 118.700 -0.056 0.000 2.166 509 N HA -0.218 4.525 4.740 0.005 0.000 0.186 509 N C 1.922 177.425 175.510 -0.011 0.000 1.019 509 N CA 1.030 54.056 53.050 -0.041 0.000 0.856 509 N CB -0.274 38.177 38.487 -0.061 0.000 0.993 509 N HN 0.335 nan 8.380 nan 0.000 0.426 510 H N 1.307 120.330 119.070 -0.079 0.000 2.357 510 H HA -0.068 4.491 4.556 0.005 0.000 0.301 510 H C 1.790 177.087 175.328 -0.052 0.000 1.082 510 H CA 1.382 57.392 56.048 -0.062 0.000 1.342 510 H CB 0.225 29.946 29.762 -0.068 0.000 1.389 510 H HN 0.321 nan 8.280 nan 0.000 0.511 511 E N -0.020 120.157 120.200 -0.038 0.000 2.107 511 E HA -0.077 4.275 4.350 0.005 0.000 0.191 511 E C 2.273 178.815 176.600 -0.097 0.000 0.982 511 E CA 0.767 57.120 56.400 -0.078 0.000 0.809 511 E CB 0.244 29.940 29.700 -0.007 0.000 0.756 511 E HN 0.332 nan 8.360 nan 0.000 0.459 512 S N 0.228 115.887 115.700 -0.069 0.000 2.423 512 S HA -0.084 4.389 4.470 0.005 0.000 0.231 512 S C 1.876 176.433 174.600 -0.072 0.000 1.014 512 S CA 0.780 58.946 58.200 -0.056 0.000 0.965 512 S CB 0.035 63.215 63.200 -0.034 0.000 0.785 512 S HN 0.407 nan 8.310 nan 0.000 0.495 513 A N 1.297 124.055 122.820 -0.104 0.000 1.929 513 A HA 0.204 4.527 4.320 0.005 0.000 0.216 513 A C 2.233 179.738 177.584 -0.131 0.000 1.176 513 A CA 1.427 53.398 52.037 -0.109 0.000 0.628 513 A CB -1.051 17.879 19.000 -0.118 0.000 0.816 513 A HN 0.503 nan 8.150 nan 0.000 0.444 514 G N -0.609 108.077 108.800 -0.190 0.000 2.396 514 G HA2 0.147 4.110 3.960 0.005 0.000 0.214 514 G HA3 0.147 4.110 3.960 0.005 0.000 0.214 514 G C 1.151 175.991 174.900 -0.100 0.000 1.166 514 G CA 1.358 46.358 45.100 -0.167 0.000 0.793 514 G HN 0.683 nan 8.290 nan 0.000 0.533 515 T N 0.000 114.502 114.554 -0.086 0.000 3.816 515 T HA 0.000 4.353 4.350 0.005 0.000 0.228 515 T CA 0.000 62.067 62.100 -0.056 0.000 1.349 515 T CB 0.000 68.840 68.868 -0.046 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658