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 3gjd_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 0.000 176.028 176.300 -0.454 0.000 0.893 5 R CA 0.000 55.943 56.100 -0.261 0.000 0.921 5 R CB 0.000 30.144 30.300 -0.260 0.000 0.687 6 E N 1.902 121.889 120.200 -0.356 0.000 2.418 6 E HA 0.057 4.409 4.350 0.005 0.000 0.261 6 E C -0.747 175.506 176.600 -0.578 0.000 1.070 6 E CA 0.572 56.709 56.400 -0.440 0.000 0.931 6 E CB 0.553 29.937 29.700 -0.527 0.000 0.954 6 E HN 0.418 nan 8.360 nan 0.000 0.439 7 H N -0.143 118.804 119.070 -0.204 0.000 2.895 7 H HA 0.209 4.767 4.556 0.004 0.000 0.373 7 H C -1.055 174.132 175.328 -0.236 0.000 1.174 7 H CA -0.931 55.025 56.048 -0.155 0.000 1.144 7 H CB 0.840 30.596 29.762 -0.010 0.000 1.793 7 H HN 0.435 nan 8.280 nan 0.000 0.551 8 W N 1.210 122.588 121.300 0.129 0.000 2.223 8 W HA 0.254 4.917 4.660 0.005 0.000 0.334 8 W C 1.014 177.559 176.519 0.044 0.000 1.334 8 W CA 0.006 57.371 57.345 0.034 0.000 1.246 8 W CB 0.440 29.923 29.460 0.038 0.000 1.184 8 W HN 0.761 nan 8.180 nan 0.000 0.563 9 A N 2.290 125.248 122.820 0.230 0.000 1.930 9 A HA 0.044 4.367 4.320 0.005 0.000 0.215 9 A C 0.988 178.646 177.584 0.123 0.000 1.176 9 A CA 1.541 53.657 52.037 0.132 0.000 0.632 9 A CB -0.585 18.463 19.000 0.080 0.000 0.819 9 A HN 0.546 nan 8.150 nan 0.000 0.445 10 T N -5.011 109.626 114.554 0.138 0.000 2.906 10 T HA 0.553 4.906 4.350 0.005 0.000 0.295 10 T C 0.381 175.131 174.700 0.083 0.000 1.075 10 T CA -0.553 61.601 62.100 0.089 0.000 1.005 10 T CB 1.926 70.829 68.868 0.059 0.000 1.136 10 T HN 0.056 nan 8.240 nan 0.000 0.498 11 R N 0.152 120.683 120.500 0.052 0.000 2.081 11 R HA 0.048 4.391 4.340 0.005 0.000 0.235 11 R C 2.063 178.364 176.300 0.003 0.000 1.131 11 R CA 1.587 57.706 56.100 0.032 0.000 0.960 11 R CB -1.391 28.923 30.300 0.023 0.000 0.856 11 R HN 0.652 nan 8.270 nan 0.000 0.436 12 L N -0.132 121.092 121.223 0.002 0.000 2.056 12 L HA 0.097 4.440 4.340 0.005 0.000 0.207 12 L C 2.053 178.906 176.870 -0.029 0.000 1.078 12 L CA 2.345 57.175 54.840 -0.015 0.000 0.749 12 L CB -1.142 40.911 42.059 -0.010 0.000 0.901 12 L HN 0.293 nan 8.230 nan 0.000 0.433 13 G N -0.249 108.548 108.800 -0.006 0.000 2.418 13 G HA2 -0.296 3.667 3.960 0.005 0.000 0.217 13 G HA3 -0.296 3.667 3.960 0.005 0.000 0.217 13 G C 1.568 176.392 174.900 -0.127 0.000 1.158 13 G CA 1.004 46.102 45.100 -0.003 0.000 0.771 13 G HN 0.444 nan 8.290 nan 0.000 0.545 14 L N 0.743 121.849 121.223 -0.194 0.000 2.017 14 L HA -0.018 4.324 4.340 0.005 0.000 0.208 14 L C 2.518 179.163 176.870 -0.375 0.000 1.073 14 L CA 1.461 55.956 54.840 -0.575 0.000 0.745 14 L CB -0.395 41.437 42.059 -0.378 0.000 0.894 14 L HN 0.113 nan 8.230 nan 0.000 0.432 15 I N -0.387 120.102 120.570 -0.134 0.000 2.179 15 I HA -0.275 3.897 4.170 0.005 0.000 0.242 15 I C 2.597 178.680 176.117 -0.056 0.000 1.088 15 I CA 1.452 62.730 61.300 -0.038 0.000 1.357 15 I CB -1.170 36.816 38.000 -0.023 0.000 1.051 15 I HN 0.337 nan 8.210 nan 0.000 0.409 16 L N 0.477 121.653 121.223 -0.078 0.000 2.141 16 L HA -0.133 4.210 4.340 0.005 0.000 0.209 16 L C 2.784 179.620 176.870 -0.057 0.000 1.094 16 L CA 1.104 55.909 54.840 -0.059 0.000 0.763 16 L CB -0.682 41.343 42.059 -0.056 0.000 0.908 16 L HN 0.173 nan 8.230 nan 0.000 0.437 17 A N -0.257 122.486 122.820 -0.128 0.000 1.898 17 A HA -0.179 4.144 4.320 0.005 0.000 0.216 17 A C 2.329 179.949 177.584 0.062 0.000 1.181 17 A CA 1.305 53.295 52.037 -0.078 0.000 0.620 17 A CB -0.317 18.471 19.000 -0.354 0.000 0.819 17 A HN 0.234 nan 8.150 nan 0.000 0.442 18 M N -0.458 119.118 119.600 -0.041 0.000 2.175 18 M HA -0.090 4.392 4.480 0.005 0.000 0.264 18 M C 2.489 178.818 176.300 0.048 0.000 1.063 18 M CA 1.498 56.831 55.300 0.055 0.000 1.119 18 M CB -1.238 31.425 32.600 0.104 0.000 1.377 18 M HN 0.503 nan 8.290 nan 0.000 0.415 19 A N 0.121 122.962 122.820 0.036 0.000 1.930 19 A HA 0.009 4.331 4.320 0.005 0.000 0.217 19 A C 2.384 179.979 177.584 0.019 0.000 1.175 19 A CA 1.858 53.910 52.037 0.026 0.000 0.627 19 A CB -1.294 17.714 19.000 0.012 0.000 0.815 19 A HN 0.510 nan 8.150 nan 0.000 0.443 20 G N 0.092 108.907 108.800 0.025 0.000 2.408 20 G HA2 -0.275 3.688 3.960 0.005 0.000 0.217 20 G HA3 -0.275 3.688 3.960 0.005 0.000 0.217 20 G C 1.533 176.435 174.900 0.003 0.000 1.150 20 G CA 1.092 46.210 45.100 0.029 0.000 0.776 20 G HN 0.547 nan 8.290 nan 0.000 0.542 21 N N 1.749 120.441 118.700 -0.014 0.000 2.037 21 N HA -0.160 4.583 4.740 0.005 0.000 0.196 21 N C 2.380 177.780 175.510 -0.184 0.000 1.034 21 N CA 2.080 55.021 53.050 -0.181 0.000 0.861 21 N CB -0.521 37.762 38.487 -0.340 0.000 1.039 21 N HN 0.262 nan 8.380 nan 0.000 0.427 22 A N 0.854 123.611 122.820 -0.106 0.000 1.855 22 A HA 0.111 4.434 4.320 0.005 0.000 0.213 22 A C 1.040 178.604 177.584 -0.033 0.000 1.195 22 A CA 0.528 52.514 52.037 -0.084 0.000 0.610 22 A CB -0.632 18.352 19.000 -0.027 0.000 0.837 22 A HN 0.091 nan 8.150 nan 0.000 0.444 23 V N 1.141 121.060 119.914 0.009 0.000 2.390 23 V HA 0.463 4.586 4.120 0.005 0.000 0.260 23 V C 0.839 177.002 176.094 0.114 0.000 1.043 23 V CA 0.425 62.758 62.300 0.056 0.000 1.047 23 V CB -0.349 31.527 31.823 0.088 0.000 1.066 23 V HN 0.604 nan 8.190 nan 0.000 0.481 24 G N 3.018 111.909 108.800 0.151 0.000 3.183 24 G HA2 0.460 4.423 3.960 0.005 0.000 0.247 24 G HA3 0.460 4.423 3.960 0.005 0.000 0.247 24 G C 0.451 175.543 174.900 0.319 0.000 1.211 24 G CA -0.821 44.426 45.100 0.245 0.000 0.835 24 G HN 0.442 nan 8.290 nan 0.000 0.604 25 L N 0.853 122.272 121.223 0.327 0.000 2.187 25 L HA -0.028 4.315 4.340 0.005 0.000 0.213 25 L C 2.960 180.021 176.870 0.317 0.000 1.100 25 L CA 1.284 56.267 54.840 0.238 0.000 0.765 25 L CB -0.545 41.524 42.059 0.017 0.000 0.904 25 L HN 0.644 nan 8.230 nan 0.000 0.437 26 G N 0.304 109.381 108.800 0.462 0.000 2.422 26 G HA2 -0.267 3.696 3.960 0.005 0.000 0.218 26 G HA3 -0.267 3.696 3.960 0.005 0.000 0.218 26 G C 1.302 176.353 174.900 0.250 0.000 1.146 26 G CA 0.981 46.361 45.100 0.467 0.000 0.769 26 G HN 0.406 nan 8.290 nan 0.000 0.547 27 N N -0.096 118.660 118.700 0.094 0.000 2.216 27 N HA 0.038 4.780 4.740 0.005 0.000 0.183 27 N C 1.452 176.807 175.510 -0.258 0.000 1.017 27 N CA 0.878 53.800 53.050 -0.213 0.000 0.861 27 N CB -0.203 37.925 38.487 -0.598 0.000 0.986 27 N HN 0.377 nan 8.380 nan 0.000 0.428 28 F N -0.656 119.385 119.950 0.151 0.000 2.678 28 F HA 0.364 4.893 4.527 0.004 0.000 0.291 28 F C 1.625 177.548 175.800 0.205 0.000 1.123 28 F CA 0.149 58.250 58.000 0.168 0.000 1.395 28 F CB 0.224 39.235 39.000 0.019 0.000 1.121 28 F HN -0.072 nan 8.300 nan 0.000 0.592 29 L N -1.349 120.045 121.223 0.285 0.000 2.515 29 L HA 0.184 4.526 4.340 0.005 0.000 0.202 29 L C 2.407 179.345 176.870 0.113 0.000 1.056 29 L CA 0.347 55.315 54.840 0.214 0.000 0.847 29 L CB -0.198 41.983 42.059 0.203 0.000 1.131 29 L HN -0.124 nan 8.230 nan 0.000 0.484 30 R N -0.043 120.512 120.500 0.091 0.000 2.062 30 R HA -0.123 4.220 4.340 0.005 0.000 0.226 30 R C 2.375 178.670 176.300 -0.009 0.000 1.125 30 R CA 1.304 57.395 56.100 -0.015 0.000 0.966 30 R CB -0.236 30.012 30.300 -0.088 0.000 0.861 30 R HN 0.113 nan 8.270 nan 0.000 0.433 31 F N 2.272 122.193 119.950 -0.049 0.000 2.065 31 F HA -0.111 4.418 4.527 0.004 0.000 0.298 31 F C -1.202 174.484 175.800 -0.190 0.000 1.112 31 F CA 1.450 59.389 58.000 -0.102 0.000 1.212 31 F CB -0.962 37.986 39.000 -0.086 0.000 0.975 31 F HN 0.055 nan 8.300 nan 0.000 0.476 32 P HA -0.164 nan 4.420 nan 0.000 0.215 32 P C 2.136 179.236 177.300 -0.333 0.000 1.153 32 P CA 1.922 64.874 63.100 -0.246 0.000 0.853 32 P CB -0.107 31.595 31.700 0.003 0.000 0.788 33 V N -0.070 119.697 119.914 -0.245 0.000 2.295 33 V HA -0.252 3.871 4.120 0.005 0.000 0.246 33 V C 2.579 178.444 176.094 -0.382 0.000 1.049 33 V CA 1.745 63.895 62.300 -0.250 0.000 1.024 33 V CB -1.175 30.538 31.823 -0.184 0.000 0.648 33 V HN 0.134 nan 8.190 nan 0.000 0.447 34 Q N -0.010 119.493 119.800 -0.495 0.000 2.084 34 Q HA -0.156 4.186 4.340 0.005 0.000 0.202 34 Q C 2.440 177.720 176.000 -1.200 0.000 0.978 34 Q CA 2.005 57.385 55.803 -0.706 0.000 0.844 34 Q CB -0.765 27.606 28.738 -0.613 0.000 0.898 34 Q HN 0.647 nan 8.270 nan 0.000 0.426 35 A N 1.159 123.155 122.820 -1.374 0.000 1.877 35 A HA -0.058 4.265 4.320 0.005 0.000 0.216 35 A C 2.359 179.561 177.584 -0.637 0.000 1.186 35 A CA 1.963 53.224 52.037 -1.293 0.000 0.620 35 A CB -0.705 17.563 19.000 -1.220 0.000 0.822 35 A HN 0.367 nan 8.150 nan 0.000 0.443 36 A N -0.211 122.371 122.820 -0.397 0.000 1.898 36 A HA -0.161 4.161 4.320 0.005 0.000 0.216 36 A C 1.888 179.428 177.584 -0.074 0.000 1.181 36 A CA 1.595 53.594 52.037 -0.062 0.000 0.620 36 A CB -0.565 18.392 19.000 -0.073 0.000 0.819 36 A HN 0.619 nan 8.150 nan 0.000 0.442 37 E N -0.094 119.989 120.200 -0.196 0.000 2.265 37 E HA -0.105 4.248 4.350 0.005 0.000 0.196 37 E C 0.395 176.918 176.600 -0.128 0.000 0.996 37 E CA 0.804 57.113 56.400 -0.151 0.000 0.832 37 E CB -0.073 29.520 29.700 -0.180 0.000 0.756 37 E HN 0.527 nan 8.360 nan 0.000 0.491 38 N N -0.521 118.063 118.700 -0.193 0.000 2.328 38 N HA 0.080 4.822 4.740 0.005 0.000 0.247 38 N C 0.277 175.735 175.510 -0.088 0.000 1.165 38 N CA 0.572 53.551 53.050 -0.118 0.000 0.873 38 N CB 1.681 40.118 38.487 -0.083 0.000 1.125 38 N HN 0.189 nan 8.380 nan 0.000 0.513 39 G N 0.414 109.171 108.800 -0.072 0.000 2.132 39 G HA2 -0.244 3.719 3.960 0.005 0.000 0.234 39 G HA3 -0.244 3.719 3.960 0.005 0.000 0.234 39 G C 0.917 175.578 174.900 -0.398 0.000 0.989 39 G CA 0.367 45.416 45.100 -0.084 0.000 0.676 39 G HN 0.637 nan 8.290 nan 0.000 0.522 40 G N -0.149 108.298 108.800 -0.588 0.000 2.793 40 G HA2 -0.084 3.879 3.960 0.005 0.000 0.334 40 G HA3 -0.084 3.879 3.960 0.005 0.000 0.334 40 G C 2.131 176.639 174.900 -0.652 0.000 1.186 40 G CA 2.071 46.534 45.100 -1.061 0.000 0.960 40 G HN 1.957 nan 8.290 nan 0.000 0.562 41 G N 0.596 109.008 108.800 -0.648 0.000 2.470 41 G HA2 0.260 4.223 3.960 0.005 0.000 0.220 41 G HA3 0.260 4.223 3.960 0.005 0.000 0.220 41 G C 1.995 176.710 174.900 -0.309 0.000 1.121 41 G CA 2.501 47.358 45.100 -0.406 0.000 0.766 41 G HN 1.753 nan 8.290 nan 0.000 0.553 42 A N 0.096 122.745 122.820 -0.285 0.000 2.066 42 A HA 0.180 4.503 4.320 0.005 0.000 0.218 42 A C 1.999 179.476 177.584 -0.178 0.000 1.157 42 A CA 1.111 53.016 52.037 -0.219 0.000 0.670 42 A CB -0.371 18.532 19.000 -0.161 0.000 0.804 42 A HN 0.404 nan 8.150 nan 0.000 0.453 43 F N -0.326 119.429 119.950 -0.325 0.000 2.293 43 F HA -0.019 4.510 4.527 0.003 0.000 0.297 43 F C 2.016 177.672 175.800 -0.241 0.000 1.089 43 F CA 1.169 58.989 58.000 -0.299 0.000 1.377 43 F CB -0.039 38.754 39.000 -0.345 0.000 1.051 43 F HN 0.063 nan 8.300 nan 0.000 0.511 44 M N -0.061 119.405 119.600 -0.223 0.000 2.229 44 M HA -0.135 4.347 4.480 0.005 0.000 0.264 44 M C 2.129 178.355 176.300 -0.123 0.000 1.063 44 M CA 0.957 56.139 55.300 -0.197 0.000 1.114 44 M CB -1.032 31.437 32.600 -0.218 0.000 1.387 44 M HN 0.142 nan 8.290 nan 0.000 0.420 45 I N 0.602 121.071 120.570 -0.169 0.000 2.163 45 I HA -0.159 4.014 4.170 0.005 0.000 0.240 45 I C -0.383 175.616 176.117 -0.196 0.000 1.081 45 I CA 1.468 62.709 61.300 -0.099 0.000 1.353 45 I CB -2.826 35.143 38.000 -0.051 0.000 1.054 45 I HN 0.099 nan 8.210 nan 0.000 0.407 46 P HA -0.206 nan 4.420 nan 0.000 0.216 46 P C 1.916 178.985 177.300 -0.384 0.000 1.150 46 P CA 1.383 63.960 63.100 -0.871 0.000 0.837 46 P CB -0.240 30.604 31.700 -1.426 0.000 0.786 47 Y N 0.271 120.249 120.300 -0.537 0.000 2.145 47 Y HA -0.185 4.368 4.550 0.005 0.000 0.286 47 Y C 2.091 177.944 175.900 -0.079 0.000 1.145 47 Y CA 1.535 59.410 58.100 -0.375 0.000 1.148 47 Y CB -0.842 37.309 38.460 -0.516 0.000 0.981 47 Y HN -0.187 nan 8.280 nan 0.000 0.507 48 I N -0.310 120.303 120.570 0.072 0.000 2.252 48 I HA -0.307 3.865 4.170 0.005 0.000 0.245 48 I C 2.245 178.422 176.117 0.100 0.000 1.102 48 I CA 1.365 62.733 61.300 0.113 0.000 1.385 48 I CB -0.350 37.749 38.000 0.165 0.000 1.064 48 I HN 0.245 nan 8.210 nan 0.000 0.414 49 I N 0.803 121.423 120.570 0.083 0.000 2.226 49 I HA -0.295 3.878 4.170 0.005 0.000 0.245 49 I C 2.811 178.953 176.117 0.043 0.000 1.100 49 I CA 1.396 62.766 61.300 0.117 0.000 1.374 49 I CB -0.491 37.674 38.000 0.275 0.000 1.057 49 I HN 0.183 nan 8.210 nan 0.000 0.413 50 A N 0.677 123.529 122.820 0.055 0.000 1.902 50 A HA -0.267 4.056 4.320 0.005 0.000 0.217 50 A C 2.238 179.768 177.584 -0.091 0.000 1.181 50 A CA 1.457 53.491 52.037 -0.006 0.000 0.623 50 A CB -1.008 18.057 19.000 0.107 0.000 0.818 50 A HN 0.448 nan 8.150 nan 0.000 0.443 51 F N 0.691 120.484 119.950 -0.261 0.000 2.091 51 F HA -0.188 4.342 4.527 0.005 0.000 0.299 51 F C 1.875 177.574 175.800 -0.168 0.000 1.103 51 F CA 1.910 59.752 58.000 -0.264 0.000 1.228 51 F CB -0.305 38.521 39.000 -0.289 0.000 0.984 51 F HN 0.151 nan 8.300 nan 0.000 0.477 52 L N -0.632 120.508 121.223 -0.138 0.000 2.109 52 L HA -0.151 4.192 4.340 0.005 0.000 0.207 52 L C 2.219 179.042 176.870 -0.077 0.000 1.086 52 L CA 0.897 55.662 54.840 -0.125 0.000 0.760 52 L CB -0.502 41.578 42.059 0.035 0.000 0.910 52 L HN 0.201 nan 8.230 nan 0.000 0.437 53 L N -1.868 119.262 121.223 -0.155 0.000 2.463 53 L HA 0.042 4.385 4.340 0.005 0.000 0.219 53 L C 1.739 178.473 176.870 -0.227 0.000 1.088 53 L CA 0.029 54.753 54.840 -0.193 0.000 0.849 53 L CB 0.451 42.278 42.059 -0.386 0.000 1.012 53 L HN 0.033 nan 8.230 nan 0.000 0.468 54 V N -1.340 118.417 119.914 -0.261 0.000 3.029 54 V HA 0.196 4.319 4.120 0.005 0.000 0.230 54 V C 2.294 178.184 176.094 -0.340 0.000 1.254 54 V CA 1.017 63.174 62.300 -0.239 0.000 1.276 54 V CB -0.080 31.660 31.823 -0.139 0.000 1.080 54 V HN 0.308 nan 8.190 nan 0.000 0.495 55 G N 1.026 109.593 108.800 -0.388 0.000 2.480 55 G HA2 -0.190 3.772 3.960 0.005 0.000 0.216 55 G HA3 -0.190 3.772 3.960 0.005 0.000 0.216 55 G C 1.469 176.019 174.900 -0.584 0.000 1.200 55 G CA 1.233 46.070 45.100 -0.439 0.000 0.782 55 G HN 0.289 nan 8.290 nan 0.000 0.554 56 I N 2.339 122.392 120.570 -0.862 0.000 2.142 56 I HA -0.089 4.084 4.170 0.005 0.000 0.240 56 I C 0.248 175.828 176.117 -0.895 0.000 1.078 56 I CA 1.287 61.953 61.300 -1.056 0.000 1.343 56 I CB -1.932 35.352 38.000 -1.195 0.000 1.046 56 I HN 0.169 nan 8.210 nan 0.000 0.405 57 P HA -0.146 nan 4.420 nan 0.000 0.216 57 P C 2.314 179.540 177.300 -0.123 0.000 1.153 57 P CA 1.473 64.439 63.100 -0.224 0.000 0.848 57 P CB -0.018 31.635 31.700 -0.079 0.000 0.787 58 L N -1.719 119.390 121.223 -0.191 0.000 2.093 58 L HA -0.130 4.212 4.340 0.005 0.000 0.208 58 L C 2.809 179.637 176.870 -0.069 0.000 1.085 58 L CA 1.203 55.970 54.840 -0.120 0.000 0.755 58 L CB -0.695 41.251 42.059 -0.189 0.000 0.904 58 L HN -0.022 nan 8.230 nan 0.000 0.435 59 M N -0.601 118.898 119.600 -0.168 0.000 2.080 59 M HA -0.260 4.223 4.480 0.005 0.000 0.260 59 M C 1.977 178.347 176.300 0.117 0.000 1.068 59 M CA 2.029 57.293 55.300 -0.059 0.000 1.109 59 M CB -0.510 31.938 32.600 -0.254 0.000 1.342 59 M HN 0.157 nan 8.290 nan 0.000 0.405 60 W N 0.268 121.533 121.300 -0.059 0.000 2.358 60 W HA -0.121 4.542 4.660 0.005 0.000 0.303 60 W C 2.335 178.899 176.519 0.075 0.000 1.208 60 W CA 1.249 58.562 57.345 -0.053 0.000 1.274 60 W CB -1.190 28.183 29.460 -0.145 0.000 1.138 60 W HN 0.285 nan 8.180 nan 0.000 0.515 61 I N 0.245 120.992 120.570 0.296 0.000 2.226 61 I HA -0.291 3.882 4.170 0.005 0.000 0.245 61 I C 2.274 178.405 176.117 0.023 0.000 1.100 61 I CA 1.486 62.911 61.300 0.208 0.000 1.374 61 I CB -0.447 37.679 38.000 0.210 0.000 1.057 61 I HN -0.039 nan 8.210 nan 0.000 0.413 62 E N -0.272 119.984 120.200 0.093 0.000 2.072 62 E HA -0.228 4.124 4.350 0.005 0.000 0.191 62 E C 2.056 178.714 176.600 0.097 0.000 0.985 62 E CA 1.315 57.747 56.400 0.053 0.000 0.801 62 E CB -0.198 29.544 29.700 0.070 0.000 0.750 62 E HN 0.496 nan 8.360 nan 0.000 0.452 63 W N 1.253 122.566 121.300 0.021 0.000 2.335 63 W HA -0.173 4.490 4.660 0.004 0.000 0.311 63 W C 2.647 179.185 176.519 0.032 0.000 1.213 63 W CA 1.504 58.882 57.345 0.055 0.000 1.274 63 W CB -0.624 28.898 29.460 0.104 0.000 1.148 63 W HN 0.081 nan 8.180 nan 0.000 0.498 64 A N -0.356 122.610 122.820 0.243 0.000 1.877 64 A HA -0.230 4.092 4.320 0.005 0.000 0.216 64 A C 1.958 179.511 177.584 -0.053 0.000 1.186 64 A CA 2.120 54.227 52.037 0.115 0.000 0.620 64 A CB -0.882 18.209 19.000 0.152 0.000 0.822 64 A HN 0.273 nan 8.150 nan 0.000 0.443 65 M N -0.641 118.776 119.600 -0.306 0.000 2.117 65 M HA -0.094 4.389 4.480 0.005 0.000 0.262 65 M C 2.332 178.614 176.300 -0.030 0.000 1.065 65 M CA 1.443 56.553 55.300 -0.318 0.000 1.114 65 M CB -0.640 31.726 32.600 -0.390 0.000 1.361 65 M HN 0.513 nan 8.290 nan 0.000 0.408 66 G N 0.062 108.852 108.800 -0.015 0.000 2.421 66 G HA2 -0.236 3.727 3.960 0.005 0.000 0.216 66 G HA3 -0.236 3.727 3.960 0.005 0.000 0.216 66 G C 1.594 176.514 174.900 0.034 0.000 1.171 66 G CA 0.886 45.984 45.100 -0.004 0.000 0.775 66 G HN 0.389 nan 8.290 nan 0.000 0.543 67 R N -0.996 119.561 120.500 0.095 0.000 2.081 67 R HA -0.118 4.225 4.340 0.005 0.000 0.235 67 R C 2.262 178.642 176.300 0.132 0.000 1.131 67 R CA 1.386 57.564 56.100 0.129 0.000 0.960 67 R CB -0.508 29.905 30.300 0.188 0.000 0.856 67 R HN 0.438 nan 8.270 nan 0.000 0.436 68 Y N 0.247 120.565 120.300 0.031 0.000 2.181 68 Y HA -0.086 4.467 4.550 0.005 0.000 0.288 68 Y C 2.080 178.001 175.900 0.035 0.000 1.146 68 Y CA 1.996 60.118 58.100 0.036 0.000 1.164 68 Y CB -0.645 37.818 38.460 0.006 0.000 0.982 68 Y HN 0.156 nan 8.280 nan 0.000 0.515 69 G N -0.804 108.054 108.800 0.096 0.000 2.402 69 G HA2 -0.185 3.778 3.960 0.005 0.000 0.216 69 G HA3 -0.185 3.778 3.960 0.005 0.000 0.216 69 G C 1.893 176.787 174.900 -0.010 0.000 1.162 69 G CA 0.621 45.750 45.100 0.047 0.000 0.777 69 G HN 0.597 nan 8.290 nan 0.000 0.539 70 G N 1.203 109.979 108.800 -0.039 0.000 2.442 70 G HA2 0.018 3.981 3.960 0.005 0.000 0.219 70 G HA3 0.018 3.981 3.960 0.005 0.000 0.219 70 G C 2.001 176.870 174.900 -0.051 0.000 1.141 70 G CA 1.431 46.481 45.100 -0.082 0.000 0.763 70 G HN 0.644 nan 8.290 nan 0.000 0.554 71 A N -0.070 122.726 122.820 -0.040 0.000 2.131 71 A HA -0.032 4.290 4.320 0.005 0.000 0.220 71 A C 2.137 179.678 177.584 -0.071 0.000 1.158 71 A CA 1.621 53.634 52.037 -0.039 0.000 0.665 71 A CB -0.165 18.799 19.000 -0.061 0.000 0.795 71 A HN 0.507 nan 8.150 nan 0.000 0.460 72 Q N -2.063 117.681 119.800 -0.092 0.000 2.194 72 Q HA 0.331 4.673 4.340 0.005 0.000 0.214 72 Q C 0.782 176.698 176.000 -0.140 0.000 0.838 72 Q CA 0.260 56.026 55.803 -0.061 0.000 0.972 72 Q CB 0.667 29.402 28.738 -0.006 0.000 1.131 72 Q HN 0.826 nan 8.270 nan 0.000 0.498 73 G N 1.473 110.146 108.800 -0.212 0.000 2.131 73 G HA2 -0.182 3.781 3.960 0.005 0.000 0.223 73 G HA3 -0.182 3.781 3.960 0.005 0.000 0.223 73 G C -0.361 174.182 174.900 -0.594 0.000 0.990 73 G CA -0.373 44.495 45.100 -0.387 0.000 0.671 73 G HN 0.394 nan 8.290 nan 0.000 0.521 74 H N -1.050 117.970 119.070 -0.084 0.000 2.667 74 H HA 0.575 5.134 4.556 0.004 0.000 0.353 74 H C 0.815 176.085 175.328 -0.095 0.000 1.072 74 H CA -0.028 55.979 56.048 -0.069 0.000 1.214 74 H CB 1.733 31.482 29.762 -0.022 0.000 1.600 74 H HN 0.303 nan 8.280 nan 0.000 0.527 75 G N 1.718 110.522 108.800 0.006 0.000 3.228 75 G HA2 0.043 4.006 3.960 0.005 0.000 0.245 75 G HA3 0.043 4.006 3.960 0.005 0.000 0.245 75 G C 0.281 175.177 174.900 -0.006 0.000 1.051 75 G CA 0.108 45.156 45.100 -0.087 0.000 0.809 75 G HN 0.585 nan 8.290 nan 0.000 0.531 76 T N -3.082 111.506 114.554 0.058 0.000 2.924 76 T HA 0.453 4.806 4.350 0.005 0.000 0.291 76 T C 1.478 176.170 174.700 -0.013 0.000 1.045 76 T CA 0.394 62.520 62.100 0.043 0.000 1.015 76 T CB 1.542 70.472 68.868 0.104 0.000 1.103 76 T HN 0.028 nan 8.240 nan 0.000 0.496 77 T N -1.879 112.603 114.554 -0.120 0.000 2.915 77 T HA 0.039 4.392 4.350 0.005 0.000 0.269 77 T C -1.063 173.433 174.700 -0.339 0.000 1.071 77 T CA 0.781 62.657 62.100 -0.372 0.000 1.132 77 T CB -1.736 66.735 68.868 -0.662 0.000 0.878 77 T HN 0.432 nan 8.240 nan 0.000 0.479 78 P HA 0.012 nan 4.420 nan 0.000 0.215 78 P C 1.838 179.140 177.300 0.004 0.000 1.157 78 P CA 1.671 64.719 63.100 -0.086 0.000 0.868 78 P CB -0.366 31.284 31.700 -0.084 0.000 0.788 79 A N -1.122 121.694 122.820 -0.008 0.000 1.897 79 A HA -0.098 4.225 4.320 0.005 0.000 0.215 79 A C 2.223 179.820 177.584 0.022 0.000 1.181 79 A CA 1.157 53.142 52.037 -0.086 0.000 0.620 79 A CB -1.502 17.307 19.000 -0.317 0.000 0.821 79 A HN 0.085 nan 8.150 nan 0.000 0.443 80 I N -1.404 119.209 120.570 0.071 0.000 2.252 80 I HA -0.193 3.980 4.170 0.005 0.000 0.245 80 I C 2.117 178.441 176.117 0.344 0.000 1.102 80 I CA 0.963 62.368 61.300 0.175 0.000 1.385 80 I CB -0.324 37.764 38.000 0.147 0.000 1.064 80 I HN 0.222 nan 8.210 nan 0.000 0.414 81 F N 0.148 120.179 119.950 0.134 0.000 2.171 81 F HA -0.253 4.276 4.527 0.004 0.000 0.300 81 F C 2.480 178.418 175.800 0.229 0.000 1.090 81 F CA 1.136 59.242 58.000 0.177 0.000 1.293 81 F CB -1.283 37.835 39.000 0.197 0.000 1.013 81 F HN 0.104 nan 8.300 nan 0.000 0.486 82 Y N 0.220 120.677 120.300 0.261 0.000 2.263 82 Y HA -0.122 4.431 4.550 0.004 0.000 0.292 82 Y C 2.166 178.155 175.900 0.148 0.000 1.130 82 Y CA 1.246 59.425 58.100 0.132 0.000 1.179 82 Y CB -0.427 38.051 38.460 0.029 0.000 0.998 82 Y HN -0.043 nan 8.280 nan 0.000 0.532 83 L N -0.616 120.727 121.223 0.199 0.000 2.083 83 L HA -0.244 4.098 4.340 0.005 0.000 0.209 83 L C 2.185 179.185 176.870 0.217 0.000 1.083 83 L CA 1.182 56.129 54.840 0.178 0.000 0.752 83 L CB -0.518 41.693 42.059 0.252 0.000 0.899 83 L HN 0.291 nan 8.230 nan 0.000 0.433 84 L N -2.353 118.992 121.223 0.204 0.000 2.209 84 L HA -0.069 4.274 4.340 0.005 0.000 0.207 84 L C 0.418 177.521 176.870 0.387 0.000 1.094 84 L CA 0.359 55.308 54.840 0.181 0.000 0.790 84 L CB -0.045 42.040 42.059 0.044 0.000 0.932 84 L HN 0.327 nan 8.230 nan 0.000 0.447 85 W N 1.191 122.525 121.300 0.057 0.000 2.740 85 W HA 0.309 4.972 4.660 0.005 0.000 0.316 85 W C -0.498 175.956 176.519 -0.108 0.000 1.020 85 W CA -1.347 56.013 57.345 0.025 0.000 1.278 85 W CB 0.646 30.141 29.460 0.059 0.000 1.224 85 W HN -0.205 nan 8.180 nan 0.000 0.393 86 R N 4.932 125.300 120.500 -0.220 0.000 3.247 86 R HA 0.139 4.481 4.340 0.005 0.000 0.212 86 R C -0.288 175.739 176.300 -0.455 0.000 1.604 86 R CA 0.095 55.796 56.100 -0.666 0.000 1.279 86 R CB -0.521 29.532 30.300 -0.410 0.000 1.277 86 R HN 0.438 nan 8.270 nan 0.000 0.669 87 N N 0.881 119.296 118.700 -0.477 0.000 2.406 87 N HA 0.067 4.810 4.740 0.005 0.000 0.283 87 N C 0.469 175.903 175.510 -0.127 0.000 1.074 87 N CA -0.444 52.352 53.050 -0.424 0.000 0.916 87 N CB 1.758 39.529 38.487 -1.193 0.000 1.639 87 N HN 0.077 nan 8.380 nan 0.000 0.485 88 R N 2.233 122.746 120.500 0.023 0.000 2.139 88 R HA -0.046 4.296 4.340 0.005 0.000 0.243 88 R C 1.527 177.880 176.300 0.088 0.000 1.145 88 R CA 1.583 57.724 56.100 0.068 0.000 0.976 88 R CB -0.643 29.702 30.300 0.075 0.000 0.866 88 R HN 0.595 nan 8.270 nan 0.000 0.449 89 F N 0.233 120.099 119.950 -0.140 0.000 2.365 89 F HA 0.046 4.576 4.527 0.004 0.000 0.300 89 F C 1.912 177.723 175.800 0.018 0.000 1.090 89 F CA 0.831 58.802 58.000 -0.048 0.000 1.408 89 F CB -0.508 38.479 39.000 -0.022 0.000 1.060 89 F HN 0.136 nan 8.300 nan 0.000 0.534 90 A N 0.029 122.764 122.820 -0.141 0.000 1.902 90 A HA -0.204 4.118 4.320 0.005 0.000 0.217 90 A C 2.314 180.045 177.584 0.246 0.000 1.181 90 A CA 1.742 53.852 52.037 0.122 0.000 0.623 90 A CB -0.550 18.530 19.000 0.133 0.000 0.818 90 A HN 0.392 nan 8.150 nan 0.000 0.443 91 K N -0.497 119.983 120.400 0.132 0.000 2.057 91 K HA -0.031 4.291 4.320 0.005 0.000 0.206 91 K C 1.788 178.396 176.600 0.013 0.000 1.050 91 K CA 1.514 57.834 56.287 0.055 0.000 0.935 91 K CB -0.346 32.119 32.500 -0.058 0.000 0.715 91 K HN 0.536 nan 8.250 nan 0.000 0.439 92 I N 1.166 121.733 120.570 -0.005 0.000 2.202 92 I HA -0.281 3.892 4.170 0.005 0.000 0.242 92 I C 2.181 178.336 176.117 0.063 0.000 1.091 92 I CA 1.153 62.443 61.300 -0.017 0.000 1.368 92 I CB -0.263 37.743 38.000 0.010 0.000 1.058 92 I HN 0.112 nan 8.210 nan 0.000 0.410 93 L N 0.499 121.751 121.223 0.050 0.000 2.079 93 L HA -0.171 4.172 4.340 0.005 0.000 0.210 93 L C 2.624 179.881 176.870 0.645 0.000 1.081 93 L CA 1.562 56.648 54.840 0.409 0.000 0.752 93 L CB -1.149 41.107 42.059 0.328 0.000 0.896 93 L HN 0.362 nan 8.230 nan 0.000 0.433 94 G N -0.624 108.411 108.800 0.391 0.000 2.470 94 G HA2 -0.169 3.794 3.960 0.005 0.000 0.220 94 G HA3 -0.169 3.794 3.960 0.005 0.000 0.220 94 G C 1.569 176.405 174.900 -0.106 0.000 1.121 94 G CA 0.662 45.738 45.100 -0.039 0.000 0.766 94 G HN 0.223 nan 8.290 nan 0.000 0.553 95 V N 0.392 120.213 119.914 -0.156 0.000 2.469 95 V HA -0.182 3.941 4.120 0.005 0.000 0.251 95 V C 2.412 178.273 176.094 -0.389 0.000 1.064 95 V CA 1.407 63.430 62.300 -0.462 0.000 1.066 95 V CB -0.655 30.628 31.823 -0.900 0.000 0.667 95 V HN 0.355 nan 8.190 nan 0.000 0.461 96 F N 1.352 121.253 119.950 -0.081 0.000 2.250 96 F HA -0.063 4.467 4.527 0.005 0.000 0.301 96 F C 2.307 177.742 175.800 -0.607 0.000 1.077 96 F CA 1.433 59.344 58.000 -0.148 0.000 1.348 96 F CB -0.891 38.047 39.000 -0.102 0.000 1.040 96 F HN 0.240 nan 8.300 nan 0.000 0.509 97 G N -0.820 107.652 108.800 -0.546 0.000 2.744 97 G HA2 0.001 3.963 3.960 0.005 0.000 0.211 97 G HA3 0.001 3.963 3.960 0.005 0.000 0.211 97 G C 1.483 176.268 174.900 -0.193 0.000 1.143 97 G CA 0.324 45.173 45.100 -0.419 0.000 0.788 97 G HN 0.344 nan 8.290 nan 0.000 0.534 98 L N -2.200 118.903 121.223 -0.201 0.000 2.467 98 L HA 0.263 4.605 4.340 0.005 0.000 0.213 98 L C 2.372 179.202 176.870 -0.067 0.000 1.053 98 L CA -0.076 54.664 54.840 -0.166 0.000 0.847 98 L CB -0.205 41.658 42.059 -0.326 0.000 1.075 98 L HN 0.337 nan 8.230 nan 0.000 0.479 99 W N 1.708 122.863 121.300 -0.241 0.000 2.381 99 W HA -0.107 4.556 4.660 0.004 0.000 0.301 99 W C 2.144 178.662 176.519 -0.001 0.000 1.205 99 W CA 1.416 58.688 57.345 -0.122 0.000 1.285 99 W CB -0.066 29.323 29.460 -0.119 0.000 1.133 99 W HN -0.071 nan 8.180 nan 0.000 0.521 100 I N 1.456 122.062 120.570 0.060 0.000 2.142 100 I HA -0.265 3.907 4.170 0.005 0.000 0.240 100 I C -0.489 175.570 176.117 -0.098 0.000 1.078 100 I CA 1.498 62.735 61.300 -0.105 0.000 1.343 100 I CB -1.920 36.059 38.000 -0.034 0.000 1.046 100 I HN -0.093 nan 8.210 nan 0.000 0.405 101 P HA -0.179 nan 4.420 nan 0.000 0.216 101 P C 1.835 179.096 177.300 -0.066 0.000 1.150 101 P CA 1.261 64.356 63.100 -0.007 0.000 0.837 101 P CB -0.036 31.657 31.700 -0.012 0.000 0.786 102 L N -0.311 120.865 121.223 -0.079 0.000 2.017 102 L HA -0.116 4.227 4.340 0.005 0.000 0.208 102 L C 2.312 179.132 176.870 -0.084 0.000 1.073 102 L CA 1.833 56.641 54.840 -0.053 0.000 0.745 102 L CB -1.262 40.785 42.059 -0.019 0.000 0.894 102 L HN -0.219 nan 8.230 nan 0.000 0.432 103 V N -1.176 118.597 119.914 -0.234 0.000 2.343 103 V HA -0.265 3.858 4.120 0.005 0.000 0.247 103 V C 2.490 178.566 176.094 -0.031 0.000 1.051 103 V CA 1.607 63.793 62.300 -0.189 0.000 1.036 103 V CB -0.456 31.041 31.823 -0.544 0.000 0.654 103 V HN 0.348 nan 8.190 nan 0.000 0.451 104 V N 0.251 120.107 119.914 -0.098 0.000 2.358 104 V HA -0.220 3.903 4.120 0.005 0.000 0.246 104 V C 2.704 178.545 176.094 -0.423 0.000 1.047 104 V CA 1.810 63.934 62.300 -0.294 0.000 1.035 104 V CB -1.094 30.687 31.823 -0.070 0.000 0.658 104 V HN 0.556 nan 8.190 nan 0.000 0.452 105 A N 0.074 122.783 122.820 -0.185 0.000 1.940 105 A HA -0.221 4.101 4.320 0.005 0.000 0.219 105 A C 2.175 179.771 177.584 0.020 0.000 1.176 105 A CA 2.052 54.041 52.037 -0.079 0.000 0.631 105 A CB -0.598 18.388 19.000 -0.023 0.000 0.814 105 A HN 0.515 nan 8.150 nan 0.000 0.446 106 I N -1.130 119.468 120.570 0.048 0.000 2.208 106 I HA -0.323 3.849 4.170 0.005 0.000 0.245 106 I C 2.515 178.743 176.117 0.186 0.000 1.097 106 I CA 2.060 63.448 61.300 0.148 0.000 1.363 106 I CB -0.394 37.708 38.000 0.170 0.000 1.051 106 I HN 0.735 nan 8.210 nan 0.000 0.413 107 Y N -2.067 118.326 120.300 0.156 0.000 2.476 107 Y HA -0.020 4.532 4.550 0.004 0.000 0.283 107 Y C 2.332 178.322 175.900 0.150 0.000 1.109 107 Y CA 0.136 58.323 58.100 0.146 0.000 1.246 107 Y CB -1.185 37.362 38.460 0.145 0.000 1.068 107 Y HN 0.041 nan 8.280 nan 0.000 0.552 108 Y N 1.274 121.382 120.300 -0.321 0.000 2.200 108 Y HA -0.157 4.396 4.550 0.004 0.000 0.290 108 Y C 2.308 178.182 175.900 -0.044 0.000 1.137 108 Y CA 2.058 60.047 58.100 -0.185 0.000 1.163 108 Y CB -0.231 38.059 38.460 -0.283 0.000 0.988 108 Y HN 0.033 nan 8.280 nan 0.000 0.518 109 V N -0.557 119.498 119.914 0.236 0.000 2.490 109 V HA -0.300 3.823 4.120 0.005 0.000 0.250 109 V C 1.937 178.232 176.094 0.336 0.000 1.061 109 V CA 1.978 64.441 62.300 0.273 0.000 1.064 109 V CB -1.073 30.933 31.823 0.305 0.000 0.670 109 V HN 0.503 nan 8.190 nan 0.000 0.461 110 Y N 0.759 121.134 120.300 0.124 0.000 2.145 110 Y HA -0.174 4.379 4.550 0.005 0.000 0.286 110 Y C 2.221 177.782 175.900 -0.565 0.000 1.145 110 Y CA 1.316 59.361 58.100 -0.092 0.000 1.148 110 Y CB -0.358 37.931 38.460 -0.284 0.000 0.981 110 Y HN 0.201 nan 8.280 nan 0.000 0.507 111 I N 0.160 120.204 120.570 -0.876 0.000 2.286 111 I HA -0.285 3.888 4.170 0.005 0.000 0.248 111 I C 2.534 178.219 176.117 -0.719 0.000 1.115 111 I CA 1.817 62.212 61.300 -1.507 0.000 1.392 111 I CB -0.487 36.936 38.000 -0.962 0.000 1.065 111 I HN 0.278 nan 8.210 nan 0.000 0.418 112 E N 1.098 121.093 120.200 -0.341 0.000 2.085 112 E HA -0.274 4.079 4.350 0.005 0.000 0.194 112 E C 2.272 178.971 176.600 0.166 0.000 0.994 112 E CA 1.865 58.242 56.400 -0.038 0.000 0.801 112 E CB 0.000 29.725 29.700 0.041 0.000 0.743 112 E HN 0.543 nan 8.360 nan 0.000 0.453 113 S N -0.206 115.588 115.700 0.157 0.000 2.399 113 S HA -0.155 4.318 4.470 0.005 0.000 0.231 113 S C 1.669 176.460 174.600 0.320 0.000 1.022 113 S CA 0.893 59.262 58.200 0.282 0.000 0.983 113 S CB -0.726 62.752 63.200 0.464 0.000 0.803 113 S HN 0.429 nan 8.310 nan 0.000 0.480 114 W N 2.963 124.258 121.300 -0.009 0.000 2.342 114 W HA -0.024 4.639 4.660 0.004 0.000 0.297 114 W C 3.030 179.521 176.519 -0.047 0.000 1.213 114 W CA 1.418 58.683 57.345 -0.134 0.000 1.251 114 W CB -1.930 27.205 29.460 -0.542 0.000 1.136 114 W HN 0.637 nan 8.180 nan 0.000 0.526 115 T N -1.200 113.532 114.554 0.296 0.000 2.821 115 T HA -0.164 4.189 4.350 0.005 0.000 0.267 115 T C 1.941 176.758 174.700 0.195 0.000 1.046 115 T CA 1.310 63.556 62.100 0.243 0.000 1.139 115 T CB -0.772 68.227 68.868 0.218 0.000 0.871 115 T HN -0.016 nan 8.240 nan 0.000 0.454 116 L N 2.211 123.484 121.223 0.084 0.000 2.017 116 L HA 0.260 4.603 4.340 0.005 0.000 0.208 116 L C 2.710 179.646 176.870 0.109 0.000 1.073 116 L CA 2.097 56.833 54.840 -0.174 0.000 0.745 116 L CB -1.296 40.441 42.059 -0.537 0.000 0.894 116 L HN 0.385 nan 8.230 nan 0.000 0.432 117 G N -1.305 107.626 108.800 0.219 0.000 2.418 117 G HA2 -0.292 3.670 3.960 0.005 0.000 0.217 117 G HA3 -0.292 3.670 3.960 0.005 0.000 0.217 117 G C 1.438 176.652 174.900 0.523 0.000 1.158 117 G CA 0.873 46.208 45.100 0.392 0.000 0.771 117 G HN 0.381 nan 8.290 nan 0.000 0.545 118 F N 1.855 121.827 119.950 0.036 0.000 2.134 118 F HA 0.077 4.606 4.527 0.004 0.000 0.299 118 F C 3.030 178.987 175.800 0.262 0.000 1.097 118 F CA 0.632 58.631 58.000 -0.001 0.000 1.264 118 F CB -0.664 37.809 39.000 -0.880 0.000 1.001 118 F HN 0.246 nan 8.300 nan 0.000 0.479 119 A N 0.529 123.613 122.820 0.439 0.000 1.873 119 A HA -0.209 4.113 4.320 0.005 0.000 0.218 119 A C 2.311 180.266 177.584 0.617 0.000 1.193 119 A CA 2.042 54.429 52.037 0.583 0.000 0.629 119 A CB -1.224 18.058 19.000 0.469 0.000 0.826 119 A HN 0.362 nan 8.150 nan 0.000 0.447 120 I N -0.570 120.279 120.570 0.466 0.000 2.118 120 I HA -0.330 3.843 4.170 0.005 0.000 0.241 120 I C 2.550 178.848 176.117 0.301 0.000 1.070 120 I CA 2.006 63.530 61.300 0.374 0.000 1.327 120 I CB -0.311 37.949 38.000 0.433 0.000 1.034 120 I HN 0.315 nan 8.210 nan 0.000 0.405 121 K N -0.015 120.586 120.400 0.334 0.000 2.097 121 K HA -0.138 4.185 4.320 0.005 0.000 0.205 121 K C 2.052 178.728 176.600 0.126 0.000 1.050 121 K CA 1.435 57.819 56.287 0.162 0.000 0.938 121 K CB -0.197 32.408 32.500 0.175 0.000 0.718 121 K HN 0.114 nan 8.250 nan 0.000 0.442 122 F N 0.849 120.910 119.950 0.184 0.000 2.146 122 F HA -0.145 4.384 4.527 0.004 0.000 0.298 122 F C 2.120 178.019 175.800 0.164 0.000 1.096 122 F CA 0.649 58.779 58.000 0.216 0.000 1.275 122 F CB -0.465 38.775 39.000 0.400 0.000 1.008 122 F HN -0.048 nan 8.300 nan 0.000 0.480 123 L N -0.156 121.234 121.223 0.278 0.000 2.013 123 L HA -0.186 4.157 4.340 0.005 0.000 0.212 123 L C 1.941 178.795 176.870 -0.027 0.000 1.073 123 L CA 1.716 56.499 54.840 -0.095 0.000 0.753 123 L CB -0.751 41.090 42.059 -0.363 0.000 0.890 123 L HN -0.030 nan 8.230 nan 0.000 0.432 124 V N -0.008 119.908 119.914 0.003 0.000 3.623 124 V HA 0.260 4.383 4.120 0.005 0.000 0.271 124 V C 1.647 177.719 176.094 -0.036 0.000 1.248 124 V CA 0.766 63.052 62.300 -0.023 0.000 1.156 124 V CB -0.799 31.009 31.823 -0.025 0.000 0.870 124 V HN 0.764 nan 8.190 nan 0.000 0.453 125 G N 0.818 109.594 108.800 -0.039 0.000 2.136 125 G HA2 -0.248 3.715 3.960 0.005 0.000 0.242 125 G HA3 -0.248 3.715 3.960 0.005 0.000 0.242 125 G C 0.207 175.022 174.900 -0.141 0.000 0.989 125 G CA 0.101 45.153 45.100 -0.080 0.000 0.682 125 G HN 0.488 nan 8.290 nan 0.000 0.522 126 L N 1.035 122.165 121.223 -0.155 0.000 2.480 126 L HA 0.479 4.822 4.340 0.005 0.000 0.243 126 L C 0.835 177.563 176.870 -0.238 0.000 1.315 126 L CA -0.500 54.247 54.840 -0.154 0.000 1.231 126 L CB -0.028 41.958 42.059 -0.122 0.000 1.444 126 L HN 0.309 nan 8.230 nan 0.000 0.409 127 V N -1.716 117.963 119.914 -0.391 0.000 3.102 127 V HA 0.729 4.851 4.120 0.005 0.000 0.312 127 V C -2.515 173.253 176.094 -0.544 0.000 1.135 127 V CA -2.436 59.420 62.300 -0.740 0.000 1.022 127 V CB 1.477 32.639 31.823 -1.100 0.000 1.056 127 V HN 0.095 nan 8.190 nan 0.000 0.436 128 P HA 0.279 nan 4.420 nan 0.000 0.268 128 P C -0.794 176.258 177.300 -0.413 0.000 1.208 128 P CA 0.109 62.860 63.100 -0.580 0.000 0.777 128 P CB 0.165 31.276 31.700 -0.981 0.000 0.875 129 E N 2.081 122.135 120.200 -0.243 0.000 2.376 129 E HA 0.281 4.633 4.350 0.005 0.000 0.236 129 E C -2.219 174.341 176.600 -0.066 0.000 0.962 129 E CA -1.785 54.545 56.400 -0.116 0.000 0.768 129 E CB 0.115 29.767 29.700 -0.079 0.000 1.236 129 E HN 0.369 nan 8.360 nan 0.000 0.431 130 P HA 0.033 nan 4.420 nan 0.000 0.266 130 P C -2.426 174.903 177.300 0.049 0.000 1.195 130 P CA -1.014 62.120 63.100 0.058 0.000 0.768 130 P CB -0.102 31.713 31.700 0.191 0.000 0.838 131 P HA 0.231 nan 4.420 nan 0.000 0.280 131 P C -2.295 175.033 177.300 0.046 0.000 1.300 131 P CA -1.115 62.005 63.100 0.034 0.000 0.785 131 P CB -0.320 31.396 31.700 0.026 0.000 0.874 136 D N 5.685 126.123 120.400 0.062 0.000 2.434 136 D HA 0.230 4.872 4.640 0.005 0.000 0.252 136 D C -0.528 175.836 176.300 0.106 0.000 1.185 136 D CA -1.399 52.644 54.000 0.073 0.000 0.886 136 D CB 1.207 42.040 40.800 0.055 0.000 1.148 136 D HN 0.126 nan 8.370 nan 0.000 0.483 137 P HA -0.221 nan 4.420 nan 0.000 0.215 137 P C 0.818 178.217 177.300 0.166 0.000 1.163 137 P CA 1.167 64.403 63.100 0.226 0.000 0.894 137 P CB 0.206 32.088 31.700 0.303 0.000 0.791 138 D N -0.092 120.371 120.400 0.104 0.000 2.149 138 D HA -0.143 4.499 4.640 0.005 0.000 0.194 138 D C 2.162 178.508 176.300 0.077 0.000 1.001 138 D CA 1.994 56.036 54.000 0.069 0.000 0.849 138 D CB -0.697 40.127 40.800 0.041 0.000 0.939 138 D HN 0.279 nan 8.370 nan 0.000 0.449 139 S N -0.760 114.988 115.700 0.079 0.000 2.474 139 S HA -0.042 4.431 4.470 0.005 0.000 0.235 139 S C 2.020 176.683 174.600 0.106 0.000 0.997 139 S CA 0.396 58.639 58.200 0.073 0.000 0.949 139 S CB -0.270 62.965 63.200 0.059 0.000 0.766 139 S HN 0.294 nan 8.310 nan 0.000 0.517 140 I N 0.183 120.842 120.570 0.149 0.000 2.731 140 I HA 0.116 4.288 4.170 0.005 0.000 0.260 140 I C 2.114 178.411 176.117 0.301 0.000 1.138 140 I CA 0.481 61.911 61.300 0.216 0.000 1.461 140 I CB -0.079 38.045 38.000 0.208 0.000 1.128 140 I HN 0.238 nan 8.210 nan 0.000 0.438 141 L N 0.319 121.677 121.223 0.226 0.000 2.131 141 L HA -0.048 4.294 4.340 0.005 0.000 0.206 141 L C 2.692 179.678 176.870 0.193 0.000 1.087 141 L CA 0.841 55.811 54.840 0.217 0.000 0.767 141 L CB -0.464 41.654 42.059 0.100 0.000 0.917 141 L HN 0.153 nan 8.230 nan 0.000 0.441 142 R N 0.600 121.164 120.500 0.107 0.000 2.096 142 R HA -0.188 4.155 4.340 0.005 0.000 0.240 142 R C -0.466 175.849 176.300 0.025 0.000 1.139 142 R CA 1.979 58.101 56.100 0.036 0.000 0.952 142 R CB -1.164 29.146 30.300 0.016 0.000 0.854 142 R HN 0.212 nan 8.270 nan 0.000 0.436 143 P HA -0.132 nan 4.420 nan 0.000 0.218 143 P C 0.651 177.870 177.300 -0.136 0.000 1.148 143 P CA 1.411 64.448 63.100 -0.106 0.000 0.822 143 P CB -0.076 31.489 31.700 -0.226 0.000 0.784 144 F N -0.204 119.792 119.950 0.076 0.000 2.293 144 F HA 0.028 4.558 4.527 0.005 0.000 0.297 144 F C 2.401 178.310 175.800 0.182 0.000 1.089 144 F CA 1.042 59.136 58.000 0.156 0.000 1.377 144 F CB -0.558 38.538 39.000 0.161 0.000 1.051 144 F HN -0.188 nan 8.300 nan 0.000 0.511 145 K N 0.886 121.397 120.400 0.184 0.000 2.026 145 K HA -0.204 4.118 4.320 0.005 0.000 0.208 145 K C 1.795 178.266 176.600 -0.215 0.000 1.048 145 K CA 1.842 58.071 56.287 -0.096 0.000 0.929 145 K CB -0.142 32.194 32.500 -0.275 0.000 0.713 145 K HN 0.268 nan 8.250 nan 0.000 0.439 146 E N -0.401 119.742 120.200 -0.095 0.000 2.150 146 E HA -0.187 4.166 4.350 0.005 0.000 0.193 146 E C 1.779 178.436 176.600 0.096 0.000 0.985 146 E CA 1.044 57.426 56.400 -0.030 0.000 0.814 146 E CB -0.157 29.533 29.700 -0.016 0.000 0.752 146 E HN 0.303 nan 8.360 nan 0.000 0.466 147 F N 1.280 121.223 119.950 -0.012 0.000 2.102 147 F HA -0.202 4.328 4.527 0.005 0.000 0.298 147 F C 2.099 177.977 175.800 0.130 0.000 1.105 147 F CA 1.103 59.104 58.000 0.002 0.000 1.239 147 F CB -0.158 38.808 39.000 -0.057 0.000 0.991 147 F HN 0.007 nan 8.300 nan 0.000 0.474 148 L N -0.510 120.969 121.223 0.426 0.000 2.017 148 L HA -0.220 4.123 4.340 0.005 0.000 0.208 148 L C 2.112 179.124 176.870 0.237 0.000 1.073 148 L CA 1.833 56.913 54.840 0.399 0.000 0.745 148 L CB -1.327 41.003 42.059 0.452 0.000 0.894 148 L HN 0.154 nan 8.230 nan 0.000 0.432 149 Y N -0.090 120.211 120.300 0.002 0.000 2.224 149 Y HA -0.155 4.398 4.550 0.005 0.000 0.289 149 Y C 2.853 178.696 175.900 -0.095 0.000 1.146 149 Y CA 1.155 59.220 58.100 -0.059 0.000 1.182 149 Y CB -1.187 37.263 38.460 -0.016 0.000 0.983 149 Y HN 0.260 nan 8.280 nan 0.000 0.524 150 S N -1.186 114.558 115.700 0.074 0.000 2.406 150 S HA -0.181 4.292 4.470 0.005 0.000 0.228 150 S C 1.826 176.362 174.600 -0.107 0.000 1.020 150 S CA 0.855 59.029 58.200 -0.042 0.000 0.965 150 S CB -0.581 62.571 63.200 -0.080 0.000 0.798 150 S HN 0.554 nan 8.310 nan 0.000 0.488 151 Y N 2.754 122.894 120.300 -0.268 0.000 2.133 151 Y HA -0.042 4.511 4.550 0.005 0.000 0.287 151 Y C 1.978 177.691 175.900 -0.312 0.000 1.134 151 Y CA 1.686 59.611 58.100 -0.291 0.000 1.133 151 Y CB -0.167 38.117 38.460 -0.294 0.000 0.987 151 Y HN 0.310 nan 8.280 nan 0.000 0.502 152 I N -2.758 117.672 120.570 -0.234 0.000 3.419 152 I HA 0.350 4.523 4.170 0.005 0.000 0.286 152 I C 1.309 177.256 176.117 -0.283 0.000 1.268 152 I CA 0.794 61.853 61.300 -0.402 0.000 1.414 152 I CB -0.411 37.136 38.000 -0.754 0.000 1.074 152 I HN 0.306 nan 8.210 nan 0.000 0.457 153 G N 2.428 111.098 108.800 -0.217 0.000 2.248 153 G HA2 -0.194 3.769 3.960 0.005 0.000 0.263 153 G HA3 -0.194 3.769 3.960 0.005 0.000 0.263 153 G C 0.048 174.843 174.900 -0.176 0.000 1.082 153 G CA 0.121 45.121 45.100 -0.167 0.000 0.863 153 G HN 0.286 nan 8.290 nan 0.000 0.495 154 V N 0.856 120.628 119.914 -0.236 0.000 2.720 154 V HA 0.159 4.282 4.120 0.005 0.000 0.307 154 V C -0.915 175.072 176.094 -0.179 0.000 1.071 154 V CA -0.236 61.880 62.300 -0.307 0.000 1.199 154 V CB 0.603 32.019 31.823 -0.678 0.000 0.900 154 V HN 0.356 nan 8.190 nan 0.000 0.494 155 P HA 0.156 nan 4.420 nan 0.000 0.267 155 P C 0.159 177.424 177.300 -0.058 0.000 1.205 155 P CA 0.057 63.102 63.100 -0.091 0.000 0.765 155 P CB 0.405 32.047 31.700 -0.097 0.000 0.828 156 K N 1.347 121.731 120.400 -0.027 0.000 2.352 156 K HA 0.177 4.499 4.320 0.005 0.000 0.194 156 K C 1.294 177.895 176.600 0.002 0.000 1.038 156 K CA 0.247 56.534 56.287 0.001 0.000 1.023 156 K CB 0.461 32.968 32.500 0.011 0.000 0.840 156 K HN 0.561 nan 8.250 nan 0.000 0.519 157 G N 0.355 109.151 108.800 -0.006 0.000 3.247 157 G HA2 0.038 4.001 3.960 0.005 0.000 0.163 157 G HA3 0.038 4.001 3.960 0.005 0.000 0.163 157 G C -0.113 174.784 174.900 -0.005 0.000 1.206 157 G CA -0.251 44.850 45.100 0.001 0.000 0.918 157 G HN -0.108 nan 8.290 nan 0.000 0.625 158 D N 0.170 120.573 120.400 0.006 0.000 2.324 158 D HA 0.069 4.712 4.640 0.005 0.000 0.212 158 D C 0.449 176.746 176.300 -0.005 0.000 0.984 158 D CA 0.370 54.375 54.000 0.009 0.000 0.885 158 D CB 0.477 41.301 40.800 0.039 0.000 0.996 158 D HN 0.417 nan 8.370 nan 0.000 0.505 159 E N 2.235 122.438 120.200 0.004 0.000 2.413 159 E HA 0.039 4.392 4.350 0.005 0.000 0.263 159 E C -1.945 174.614 176.600 -0.068 0.000 1.015 159 E CA -1.082 55.318 56.400 0.000 0.000 0.916 159 E CB 0.759 30.473 29.700 0.024 0.000 0.947 159 E HN 0.042 nan 8.360 nan 0.000 0.440 160 P HA 0.149 nan 4.420 nan 0.000 0.235 160 P C -0.795 176.434 177.300 -0.117 0.000 1.725 160 P CA 0.188 63.169 63.100 -0.198 0.000 0.894 160 P CB -0.007 31.477 31.700 -0.359 0.000 1.704 161 I N 1.047 121.578 120.570 -0.065 0.000 2.404 161 I HA 0.317 4.489 4.170 0.005 0.000 0.293 161 I C 0.609 176.710 176.117 -0.028 0.000 0.992 161 I CA -1.335 59.953 61.300 -0.018 0.000 1.149 161 I CB 1.836 39.845 38.000 0.016 0.000 1.315 161 I HN -0.075 nan 8.210 nan 0.000 0.446 162 L N 5.924 127.135 121.223 -0.020 0.000 2.357 162 L HA 0.450 4.792 4.340 0.005 0.000 0.273 162 L C 0.606 177.446 176.870 -0.050 0.000 1.080 162 L CA -0.574 54.217 54.840 -0.081 0.000 0.803 162 L CB 0.825 42.795 42.059 -0.149 0.000 1.174 162 L HN 0.360 nan 8.230 nan 0.000 0.443 163 K N 3.355 123.699 120.400 -0.094 0.000 2.679 163 K HA 0.369 4.691 4.320 0.005 0.000 0.188 163 K C -2.569 173.939 176.600 -0.154 0.000 1.055 163 K CA -2.015 54.233 56.287 -0.065 0.000 1.006 163 K CB 0.917 33.404 32.500 -0.022 0.000 1.317 163 K HN 0.152 nan 8.250 nan 0.000 0.584 164 P HA -0.031 nan 4.420 nan 0.000 0.267 164 P C 0.025 177.205 177.300 -0.199 0.000 1.200 164 P CA 0.118 63.055 63.100 -0.272 0.000 0.772 164 P CB 0.490 31.999 31.700 -0.319 0.000 0.855 165 S N 2.310 117.865 115.700 -0.242 0.000 2.580 165 S HA 0.005 4.478 4.470 0.005 0.000 0.266 165 S C 1.171 175.720 174.600 -0.084 0.000 1.354 165 S CA -0.486 57.618 58.200 -0.160 0.000 1.008 165 S CB 0.002 63.091 63.200 -0.186 0.000 0.898 165 S HN 0.386 nan 8.310 nan 0.000 0.555 166 L N 1.170 122.392 121.223 -0.002 0.000 2.083 166 L HA 0.049 4.392 4.340 0.005 0.000 0.209 166 L C 2.005 178.956 176.870 0.134 0.000 1.083 166 L CA 1.779 56.664 54.840 0.076 0.000 0.752 166 L CB -1.247 40.858 42.059 0.076 0.000 0.899 166 L HN 0.831 nan 8.230 nan 0.000 0.433 167 F N 0.514 120.433 119.950 -0.050 0.000 2.134 167 F HA -0.175 4.354 4.527 0.004 0.000 0.299 167 F C 2.308 178.073 175.800 -0.057 0.000 1.097 167 F CA 1.504 59.485 58.000 -0.031 0.000 1.264 167 F CB -0.794 38.182 39.000 -0.039 0.000 1.001 167 F HN 0.158 nan 8.300 nan 0.000 0.479 168 A N -0.769 121.812 122.820 -0.398 0.000 1.940 168 A HA -0.262 4.060 4.320 0.005 0.000 0.219 168 A C 2.154 179.689 177.584 -0.082 0.000 1.176 168 A CA 1.782 53.471 52.037 -0.581 0.000 0.631 168 A CB -1.641 16.762 19.000 -0.996 0.000 0.814 168 A HN 0.615 nan 8.150 nan 0.000 0.446 169 Y N 0.244 120.483 120.300 -0.101 0.000 2.220 169 Y HA -0.095 4.458 4.550 0.004 0.000 0.291 169 Y C 2.018 178.000 175.900 0.137 0.000 1.129 169 Y CA 1.638 59.772 58.100 0.057 0.000 1.161 169 Y CB -0.179 38.310 38.460 0.047 0.000 0.997 169 Y HN 0.254 nan 8.280 nan 0.000 0.522 170 I N -1.132 119.514 120.570 0.127 0.000 2.286 170 I HA -0.285 3.888 4.170 0.005 0.000 0.248 170 I C 2.130 178.212 176.117 -0.059 0.000 1.115 170 I CA 1.071 62.395 61.300 0.041 0.000 1.392 170 I CB -0.455 37.591 38.000 0.077 0.000 1.065 170 I HN 0.067 nan 8.210 nan 0.000 0.418 171 V N 0.558 120.381 119.914 -0.152 0.000 2.515 171 V HA -0.281 3.842 4.120 0.005 0.000 0.250 171 V C 2.232 178.355 176.094 0.047 0.000 1.058 171 V CA 1.683 63.901 62.300 -0.137 0.000 1.064 171 V CB -0.672 30.969 31.823 -0.303 0.000 0.675 171 V HN 0.376 nan 8.190 nan 0.000 0.461 172 F N 0.517 120.456 119.950 -0.019 0.000 2.102 172 F HA -0.152 4.378 4.527 0.004 0.000 0.298 172 F C 2.008 177.818 175.800 0.017 0.000 1.105 172 F CA 1.553 59.587 58.000 0.057 0.000 1.239 172 F CB -0.351 38.689 39.000 0.067 0.000 0.991 172 F HN 0.037 nan 8.300 nan 0.000 0.474 173 L N 0.002 121.126 121.223 -0.165 0.000 2.013 173 L HA -0.282 4.061 4.340 0.005 0.000 0.212 173 L C 2.523 179.286 176.870 -0.179 0.000 1.073 173 L CA 1.726 56.410 54.840 -0.261 0.000 0.753 173 L CB -0.726 41.226 42.059 -0.178 0.000 0.890 173 L HN 0.179 nan 8.230 nan 0.000 0.432 174 I N -0.929 119.589 120.570 -0.086 0.000 2.226 174 I HA -0.285 3.888 4.170 0.005 0.000 0.245 174 I C 2.484 178.642 176.117 0.069 0.000 1.100 174 I CA 1.525 62.828 61.300 0.004 0.000 1.374 174 I CB -0.532 37.468 38.000 -0.000 0.000 1.057 174 I HN 0.271 nan 8.210 nan 0.000 0.413 175 T N 0.790 115.354 114.554 0.018 0.000 2.684 175 T HA -0.181 4.171 4.350 0.005 0.000 0.267 175 T C 1.957 176.642 174.700 -0.025 0.000 1.036 175 T CA 1.286 63.436 62.100 0.084 0.000 1.148 175 T CB -0.130 68.820 68.868 0.137 0.000 0.863 175 T HN 0.155 nan 8.240 nan 0.000 0.436 176 M N 0.416 119.884 119.600 -0.220 0.000 2.108 176 M HA 0.015 4.498 4.480 0.005 0.000 0.261 176 M C 2.099 178.338 176.300 -0.103 0.000 1.066 176 M CA 1.287 56.450 55.300 -0.229 0.000 1.107 176 M CB -1.279 31.086 32.600 -0.391 0.000 1.356 176 M HN 0.281 nan 8.290 nan 0.000 0.406 177 F N 1.020 120.861 119.950 -0.182 0.000 2.171 177 F HA -0.161 4.369 4.527 0.004 0.000 0.300 177 F C 2.098 177.844 175.800 -0.091 0.000 1.090 177 F CA 1.380 59.301 58.000 -0.132 0.000 1.293 177 F CB -0.251 38.681 39.000 -0.113 0.000 1.013 177 F HN 0.011 nan 8.300 nan 0.000 0.486 178 I N 0.233 120.787 120.570 -0.025 0.000 2.252 178 I HA -0.306 3.866 4.170 0.005 0.000 0.245 178 I C 2.248 178.220 176.117 -0.241 0.000 1.102 178 I CA 1.177 62.413 61.300 -0.106 0.000 1.385 178 I CB -0.670 37.404 38.000 0.124 0.000 1.064 178 I HN 0.193 nan 8.210 nan 0.000 0.414 179 N N 0.626 119.218 118.700 -0.179 0.000 2.104 179 N HA -0.154 4.589 4.740 0.005 0.000 0.190 179 N C 1.979 177.350 175.510 -0.231 0.000 1.024 179 N CA 1.402 54.331 53.050 -0.202 0.000 0.853 179 N CB -0.119 38.295 38.487 -0.120 0.000 1.008 179 N HN 0.160 nan 8.380 nan 0.000 0.424 180 V N 1.632 121.396 119.914 -0.250 0.000 2.407 180 V HA -0.204 3.919 4.120 0.005 0.000 0.248 180 V C 2.603 178.499 176.094 -0.329 0.000 1.055 180 V CA 1.975 64.120 62.300 -0.258 0.000 1.049 180 V CB -0.617 31.052 31.823 -0.257 0.000 0.662 180 V HN 0.450 nan 8.190 nan 0.000 0.455 181 S N -0.220 115.194 115.700 -0.476 0.000 2.402 181 S HA -0.105 4.367 4.470 0.005 0.000 0.229 181 S C 1.887 176.307 174.600 -0.300 0.000 1.021 181 S CA 1.498 59.427 58.200 -0.452 0.000 0.974 181 S CB -0.514 62.338 63.200 -0.581 0.000 0.800 181 S HN 0.555 nan 8.310 nan 0.000 0.484 182 I N 1.007 121.390 120.570 -0.311 0.000 2.277 182 I HA -0.024 4.149 4.170 0.005 0.000 0.243 182 I C 2.423 178.418 176.117 -0.204 0.000 1.094 182 I CA 0.893 62.028 61.300 -0.274 0.000 1.393 182 I CB -0.326 37.434 38.000 -0.401 0.000 1.078 182 I HN 0.240 nan 8.210 nan 0.000 0.417 183 L N 0.309 121.416 121.223 -0.194 0.000 2.083 183 L HA -0.190 4.152 4.340 0.005 0.000 0.209 183 L C 2.488 179.269 176.870 -0.148 0.000 1.083 183 L CA 1.313 56.064 54.840 -0.149 0.000 0.752 183 L CB -0.285 41.706 42.059 -0.113 0.000 0.899 183 L HN 0.260 nan 8.230 nan 0.000 0.433 184 I N -0.431 120.046 120.570 -0.156 0.000 2.756 184 I HA -0.215 3.957 4.170 0.005 0.000 0.262 184 I C 2.321 178.354 176.117 -0.139 0.000 1.225 184 I CA 0.893 62.110 61.300 -0.139 0.000 1.472 184 I CB -0.046 37.868 38.000 -0.143 0.000 1.094 184 I HN 0.190 nan 8.210 nan 0.000 0.454 185 R N 0.710 121.123 120.500 -0.146 0.000 2.276 185 R HA 0.210 4.553 4.340 0.005 0.000 0.196 185 R C 0.960 177.163 176.300 -0.161 0.000 0.961 185 R CA 0.534 56.554 56.100 -0.134 0.000 1.024 185 R CB 0.089 30.321 30.300 -0.114 0.000 0.940 185 R HN 0.492 nan 8.270 nan 0.000 0.480 186 G N 0.752 109.435 108.800 -0.193 0.000 2.660 186 G HA2 -0.227 3.735 3.960 0.005 0.000 0.247 186 G HA3 -0.227 3.735 3.960 0.005 0.000 0.247 186 G C 0.394 175.086 174.900 -0.348 0.000 1.328 186 G CA -0.565 44.374 45.100 -0.269 0.000 0.884 186 G HN -0.054 nan 8.290 nan 0.000 0.531 187 I N 1.202 121.449 120.570 -0.538 0.000 2.133 187 I HA -0.109 4.064 4.170 0.005 0.000 0.238 187 I C 3.186 178.999 176.117 -0.507 0.000 1.074 187 I CA 3.011 63.845 61.300 -0.777 0.000 1.342 187 I CB -1.671 35.521 38.000 -1.346 0.000 1.053 187 I HN 0.889 nan 8.210 nan 0.000 0.404 188 S N 0.586 116.061 115.700 -0.374 0.000 2.388 188 S HA -0.047 4.426 4.470 0.005 0.000 0.223 188 S C 1.828 176.379 174.600 -0.083 0.000 1.034 188 S CA 0.442 58.547 58.200 -0.160 0.000 0.963 188 S CB -0.291 62.838 63.200 -0.117 0.000 0.827 188 S HN 0.381 nan 8.310 nan 0.000 0.481 189 K N 1.025 121.358 120.400 -0.111 0.000 2.361 189 K HA 0.215 4.538 4.320 0.005 0.000 0.196 189 K C 1.865 178.430 176.600 -0.059 0.000 1.039 189 K CA 0.635 56.881 56.287 -0.068 0.000 1.001 189 K CB -0.006 32.449 32.500 -0.076 0.000 0.795 189 K HN 0.513 nan 8.250 nan 0.000 0.495 190 G N 1.087 109.831 108.800 -0.093 0.000 2.687 190 G HA2 0.006 3.969 3.960 0.005 0.000 0.222 190 G HA3 0.006 3.969 3.960 0.005 0.000 0.222 190 G C 1.343 176.232 174.900 -0.017 0.000 1.445 190 G CA -0.245 44.807 45.100 -0.080 0.000 0.836 190 G HN -0.030 nan 8.290 nan 0.000 0.598 191 I N 0.806 121.347 120.570 -0.047 0.000 2.179 191 I HA -0.111 4.062 4.170 0.005 0.000 0.242 191 I C 2.680 178.891 176.117 0.157 0.000 1.088 191 I CA 1.564 62.896 61.300 0.054 0.000 1.357 191 I CB -0.187 37.808 38.000 -0.010 0.000 1.051 191 I HN 0.342 nan 8.210 nan 0.000 0.409 192 E N 1.256 121.561 120.200 0.175 0.000 2.031 192 E HA -0.229 4.124 4.350 0.005 0.000 0.193 192 E C 2.451 179.116 176.600 0.109 0.000 0.994 192 E CA 1.167 57.698 56.400 0.218 0.000 0.800 192 E CB 0.059 29.930 29.700 0.285 0.000 0.752 192 E HN 0.312 nan 8.360 nan 0.000 0.447 193 R N -0.375 120.175 120.500 0.083 0.000 2.083 193 R HA -0.177 4.166 4.340 0.005 0.000 0.237 193 R C 2.405 178.749 176.300 0.073 0.000 1.137 193 R CA 1.573 57.711 56.100 0.064 0.000 0.951 193 R CB -0.628 29.705 30.300 0.055 0.000 0.851 193 R HN 0.271 nan 8.270 nan 0.000 0.434 194 F N 1.486 121.411 119.950 -0.043 0.000 2.134 194 F HA -0.167 4.363 4.527 0.005 0.000 0.299 194 F C 2.305 178.050 175.800 -0.092 0.000 1.097 194 F CA 1.336 59.286 58.000 -0.084 0.000 1.264 194 F CB -0.421 38.502 39.000 -0.128 0.000 1.001 194 F HN -0.001 nan 8.300 nan 0.000 0.479 195 A N 0.111 122.881 122.820 -0.084 0.000 1.972 195 A HA -0.211 4.112 4.320 0.005 0.000 0.219 195 A C 2.230 179.713 177.584 -0.168 0.000 1.169 195 A CA 1.723 53.667 52.037 -0.154 0.000 0.635 195 A CB -0.683 18.309 19.000 -0.013 0.000 0.810 195 A HN 0.470 nan 8.150 nan 0.000 0.446 196 K N -0.819 119.517 120.400 -0.107 0.000 2.283 196 K HA 0.046 4.368 4.320 0.005 0.000 0.202 196 K C 1.466 178.009 176.600 -0.094 0.000 1.048 196 K CA 1.133 57.377 56.287 -0.073 0.000 0.948 196 K CB -0.172 32.312 32.500 -0.027 0.000 0.742 196 K HN 0.589 nan 8.250 nan 0.000 0.458 197 I N -0.103 120.360 120.570 -0.179 0.000 2.628 197 I HA -0.065 4.107 4.170 0.005 0.000 0.255 197 I C 2.336 178.334 176.117 -0.199 0.000 1.119 197 I CA 0.411 61.619 61.300 -0.153 0.000 1.448 197 I CB -0.098 37.814 38.000 -0.147 0.000 1.133 197 I HN -0.006 nan 8.210 nan 0.000 0.438 198 A N 1.017 123.515 122.820 -0.536 0.000 1.898 198 A HA -0.134 4.188 4.320 0.005 0.000 0.216 198 A C 2.311 179.830 177.584 -0.107 0.000 1.181 198 A CA 1.278 53.005 52.037 -0.517 0.000 0.620 198 A CB -0.327 17.932 19.000 -1.236 0.000 0.819 198 A HN 0.214 nan 8.150 nan 0.000 0.442 199 M N -0.542 118.989 119.600 -0.116 0.000 2.099 199 M HA -0.039 4.443 4.480 0.005 0.000 0.262 199 M C -0.413 175.939 176.300 0.086 0.000 1.067 199 M CA 1.324 56.624 55.300 -0.000 0.000 1.124 199 M CB -2.505 30.080 32.600 -0.026 0.000 1.353 199 M HN 0.133 nan 8.290 nan 0.000 0.410 200 P HA -0.072 nan 4.420 nan 0.000 0.216 200 P C 1.571 178.988 177.300 0.196 0.000 1.153 200 P CA 1.468 64.651 63.100 0.138 0.000 0.848 200 P CB -0.310 31.438 31.700 0.081 0.000 0.787 201 T N 0.042 114.694 114.554 0.164 0.000 2.720 201 T HA -0.159 4.194 4.350 0.005 0.000 0.268 201 T C 1.734 176.529 174.700 0.159 0.000 1.037 201 T CA 1.013 63.220 62.100 0.178 0.000 1.144 201 T CB -0.933 68.097 68.868 0.270 0.000 0.864 201 T HN 0.060 nan 8.240 nan 0.000 0.444 202 L N -0.029 121.306 121.223 0.187 0.000 2.027 202 L HA -0.015 4.328 4.340 0.005 0.000 0.206 202 L C 2.252 179.217 176.870 0.158 0.000 1.074 202 L CA 1.454 56.378 54.840 0.141 0.000 0.745 202 L CB -0.344 41.813 42.059 0.163 0.000 0.898 202 L HN 0.235 nan 8.230 nan 0.000 0.433 203 F N 0.635 120.630 119.950 0.074 0.000 2.134 203 F HA -0.252 4.277 4.527 0.004 0.000 0.299 203 F C 2.090 177.933 175.800 0.071 0.000 1.097 203 F CA 1.794 59.842 58.000 0.080 0.000 1.264 203 F CB -0.271 38.766 39.000 0.062 0.000 1.001 203 F HN 0.002 nan 8.300 nan 0.000 0.479 204 I N 0.022 120.579 120.570 -0.023 0.000 2.179 204 I HA -0.339 3.834 4.170 0.005 0.000 0.242 204 I C 2.441 178.501 176.117 -0.095 0.000 1.088 204 I CA 1.422 62.653 61.300 -0.116 0.000 1.357 204 I CB -0.604 37.414 38.000 0.030 0.000 1.051 204 I HN 0.191 nan 8.210 nan 0.000 0.409 205 L N 0.455 121.654 121.223 -0.040 0.000 2.012 205 L HA -0.244 4.099 4.340 0.005 0.000 0.210 205 L C 2.851 179.715 176.870 -0.011 0.000 1.073 205 L CA 1.551 56.376 54.840 -0.024 0.000 0.748 205 L CB -0.783 41.245 42.059 -0.051 0.000 0.891 205 L HN 0.265 nan 8.230 nan 0.000 0.431 206 A N -0.513 122.267 122.820 -0.067 0.000 1.902 206 A HA -0.141 4.182 4.320 0.005 0.000 0.217 206 A C 2.330 179.866 177.584 -0.079 0.000 1.181 206 A CA 1.741 53.755 52.037 -0.039 0.000 0.623 206 A CB -0.795 18.250 19.000 0.076 0.000 0.818 206 A HN 0.200 nan 8.150 nan 0.000 0.443 207 V N -1.242 118.544 119.914 -0.213 0.000 2.295 207 V HA -0.229 3.894 4.120 0.005 0.000 0.246 207 V C 2.267 178.269 176.094 -0.152 0.000 1.049 207 V CA 2.077 64.221 62.300 -0.260 0.000 1.024 207 V CB -0.944 30.604 31.823 -0.459 0.000 0.648 207 V HN 0.633 nan 8.190 nan 0.000 0.447 208 F N 0.384 120.212 119.950 -0.202 0.000 2.126 208 F HA -0.217 4.314 4.527 0.006 0.000 0.299 208 F C 2.036 177.743 175.800 -0.155 0.000 1.096 208 F CA 1.748 59.658 58.000 -0.150 0.000 1.255 208 F CB -0.258 38.676 39.000 -0.111 0.000 0.997 208 F HN 0.032 nan 8.300 nan 0.000 0.479 209 L N -0.896 120.261 121.223 -0.111 0.000 2.056 209 L HA -0.208 4.135 4.340 0.005 0.000 0.207 209 L C 2.388 179.096 176.870 -0.271 0.000 1.078 209 L CA 0.913 55.639 54.840 -0.190 0.000 0.749 209 L CB -0.801 41.256 42.059 -0.003 0.000 0.901 209 L HN -0.002 nan 8.230 nan 0.000 0.433 210 V N 0.319 120.063 119.914 -0.284 0.000 2.332 210 V HA -0.322 3.801 4.120 0.005 0.000 0.248 210 V C 2.311 177.983 176.094 -0.703 0.000 1.055 210 V CA 1.967 63.962 62.300 -0.509 0.000 1.038 210 V CB -0.357 31.146 31.823 -0.534 0.000 0.651 210 V HN 0.326 nan 8.190 nan 0.000 0.450 211 I N -0.337 119.923 120.570 -0.515 0.000 2.179 211 I HA -0.247 3.926 4.170 0.005 0.000 0.242 211 I C 2.725 178.651 176.117 -0.318 0.000 1.088 211 I CA 1.686 62.752 61.300 -0.390 0.000 1.357 211 I CB -0.404 37.410 38.000 -0.310 0.000 1.051 211 I HN 0.231 nan 8.210 nan 0.000 0.409 212 R N 1.095 121.317 120.500 -0.464 0.000 2.073 212 R HA -0.128 4.214 4.340 0.005 0.000 0.234 212 R C 2.080 178.280 176.300 -0.167 0.000 1.134 212 R CA 1.683 57.552 56.100 -0.385 0.000 0.952 212 R CB -0.915 29.040 30.300 -0.574 0.000 0.850 212 R HN 0.147 nan 8.270 nan 0.000 0.433 213 V N 0.382 120.222 119.914 -0.123 0.000 2.407 213 V HA -0.188 3.935 4.120 0.005 0.000 0.248 213 V C 1.822 178.061 176.094 0.242 0.000 1.055 213 V CA 1.550 63.892 62.300 0.070 0.000 1.049 213 V CB -0.641 31.233 31.823 0.084 0.000 0.662 213 V HN 0.226 nan 8.190 nan 0.000 0.455 214 F N -0.371 119.554 119.950 -0.042 0.000 2.546 214 F HA 0.026 4.558 4.527 0.008 0.000 0.298 214 F C 1.861 177.645 175.800 -0.027 0.000 1.120 214 F CA 0.536 58.522 58.000 -0.023 0.000 1.456 214 F CB -0.798 38.186 39.000 -0.027 0.000 1.088 214 F HN 0.151 nan 8.300 nan 0.000 0.572 215 L N -0.618 120.688 121.223 0.139 0.000 2.591 215 L HA 0.038 4.381 4.340 0.005 0.000 0.228 215 L C 0.585 177.487 176.870 0.054 0.000 1.133 215 L CA 0.038 54.914 54.840 0.060 0.000 0.880 215 L CB -0.294 41.770 42.059 0.009 0.000 1.033 215 L HN -0.113 nan 8.230 nan 0.000 0.450 216 L N 1.201 122.477 121.223 0.089 0.000 2.360 216 L HA 0.148 4.490 4.340 0.005 0.000 0.276 216 L C 0.154 177.038 176.870 0.023 0.000 1.121 216 L CA 0.400 55.301 54.840 0.101 0.000 0.845 216 L CB 0.653 42.834 42.059 0.203 0.000 1.143 216 L HN 0.119 nan 8.230 nan 0.000 0.452 217 E N 2.705 122.881 120.200 -0.041 0.000 2.291 217 E HA 0.474 4.827 4.350 0.005 0.000 0.276 217 E C -1.028 175.448 176.600 -0.206 0.000 0.896 217 E CA -0.575 55.763 56.400 -0.103 0.000 0.774 217 E CB 1.877 31.534 29.700 -0.071 0.000 1.227 217 E HN 0.611 nan 8.360 nan 0.000 0.413 218 T N 0.414 114.804 114.554 -0.273 0.000 2.831 218 T HA 0.504 4.857 4.350 0.005 0.000 0.287 218 T C -2.094 172.466 174.700 -0.233 0.000 1.070 218 T CA -1.610 60.273 62.100 -0.361 0.000 1.010 218 T CB 1.208 69.672 68.868 -0.673 0.000 1.264 218 T HN 0.207 nan 8.240 nan 0.000 0.532 219 P HA 0.082 nan 4.420 nan 0.000 0.225 219 P C 0.881 178.106 177.300 -0.125 0.000 1.148 219 P CA 0.658 63.675 63.100 -0.139 0.000 0.779 219 P CB 0.004 31.632 31.700 -0.119 0.000 0.780 220 N N -1.143 117.461 118.700 -0.161 0.000 2.392 220 N HA 0.164 4.906 4.740 0.005 0.000 0.177 220 N C 1.108 176.559 175.510 -0.097 0.000 1.066 220 N CA 0.951 53.931 53.050 -0.116 0.000 0.895 220 N CB 0.626 39.042 38.487 -0.118 0.000 0.988 220 N HN 0.153 nan 8.380 nan 0.000 0.457 221 G N -0.803 107.927 108.800 -0.117 0.000 2.343 221 G HA2 0.222 4.185 3.960 0.005 0.000 0.289 221 G HA3 0.222 4.185 3.960 0.005 0.000 0.289 221 G C -1.260 173.588 174.900 -0.086 0.000 1.295 221 G CA -0.226 44.824 45.100 -0.083 0.000 0.869 221 G HN 0.176 nan 8.290 nan 0.000 0.522 222 T N -2.901 111.619 114.554 -0.058 0.000 2.907 222 T HA 0.751 5.103 4.350 0.005 0.000 0.290 222 T C 1.595 176.276 174.700 -0.032 0.000 1.066 222 T CA 0.661 62.731 62.100 -0.049 0.000 1.012 222 T CB 1.561 70.394 68.868 -0.058 0.000 1.184 222 T HN 2.067 nan 8.240 nan 0.000 0.522 223 A N 0.674 123.478 122.820 -0.026 0.000 1.978 223 A HA 0.188 4.511 4.320 0.005 0.000 0.220 223 A C 2.551 180.069 177.584 -0.109 0.000 1.170 223 A CA 2.100 54.121 52.037 -0.027 0.000 0.636 223 A CB -1.548 17.456 19.000 0.007 0.000 0.810 223 A HN 1.366 nan 8.150 nan 0.000 0.448 224 A N 0.090 122.815 122.820 -0.158 0.000 1.972 224 A HA -0.188 4.134 4.320 0.005 0.000 0.219 224 A C 1.685 179.243 177.584 -0.045 0.000 1.169 224 A CA 1.800 53.747 52.037 -0.149 0.000 0.635 224 A CB -0.544 18.373 19.000 -0.139 0.000 0.810 224 A HN 0.484 nan 8.150 nan 0.000 0.446 225 D N -0.159 120.227 120.400 -0.023 0.000 2.182 225 D HA -0.104 4.539 4.640 0.005 0.000 0.201 225 D C 2.005 178.343 176.300 0.064 0.000 0.986 225 D CA 1.445 55.455 54.000 0.015 0.000 0.847 225 D CB -0.628 40.169 40.800 -0.005 0.000 0.942 225 D HN 0.465 nan 8.370 nan 0.000 0.467 226 G N 0.667 109.502 108.800 0.059 0.000 2.402 226 G HA2 -0.150 3.813 3.960 0.005 0.000 0.216 226 G HA3 -0.150 3.813 3.960 0.005 0.000 0.216 226 G C 1.804 176.815 174.900 0.186 0.000 1.162 226 G CA 0.109 45.280 45.100 0.118 0.000 0.777 226 G HN 0.239 nan 8.290 nan 0.000 0.539 227 L N 0.592 121.902 121.223 0.145 0.000 2.046 227 L HA -0.087 4.255 4.340 0.005 0.000 0.208 227 L C 2.703 179.737 176.870 0.272 0.000 1.077 227 L CA 0.908 55.897 54.840 0.247 0.000 0.747 227 L CB -0.464 41.678 42.059 0.137 0.000 0.896 227 L HN 0.132 nan 8.230 nan 0.000 0.432 228 N N 0.084 118.884 118.700 0.166 0.000 2.166 228 N HA -0.223 4.519 4.740 0.005 0.000 0.186 228 N C 1.684 177.277 175.510 0.139 0.000 1.019 228 N CA 1.257 54.393 53.050 0.143 0.000 0.856 228 N CB -0.482 38.059 38.487 0.091 0.000 0.993 228 N HN 0.242 nan 8.380 nan 0.000 0.426 229 F N 1.396 121.351 119.950 0.008 0.000 2.134 229 F HA -0.093 4.434 4.527 0.001 0.000 0.299 229 F C 1.984 177.732 175.800 -0.088 0.000 1.097 229 F CA 0.845 58.822 58.000 -0.039 0.000 1.264 229 F CB -0.336 38.633 39.000 -0.052 0.000 1.001 229 F HN -0.004 nan 8.300 nan 0.000 0.479 230 L N -1.376 119.679 121.223 -0.280 0.000 2.240 230 L HA 0.005 4.348 4.340 0.005 0.000 0.211 230 L C 0.765 177.257 176.870 -0.631 0.000 1.106 230 L CA 1.506 55.990 54.840 -0.594 0.000 0.793 230 L CB -0.621 41.142 42.059 -0.493 0.000 0.927 230 L HN 0.233 nan 8.230 nan 0.000 0.446 231 W N -0.755 120.470 121.300 -0.125 0.000 2.926 231 W HA 0.349 5.010 4.660 0.001 0.000 0.419 231 W C 0.134 176.593 176.519 -0.099 0.000 0.993 231 W CA -0.441 56.854 57.345 -0.085 0.000 2.025 231 W CB 0.362 29.802 29.460 -0.033 0.000 1.152 231 W HN -0.211 nan 8.180 nan 0.000 0.659 232 T N 2.133 116.686 114.554 -0.003 0.000 2.788 232 T HA 0.274 4.627 4.350 0.005 0.000 0.296 232 T C -2.411 172.191 174.700 -0.163 0.000 1.009 232 T CA -1.571 60.503 62.100 -0.044 0.000 0.949 232 T CB 1.289 70.137 68.868 -0.033 0.000 0.946 232 T HN -0.425 nan 8.240 nan 0.000 0.453 233 P HA 0.224 nan 4.420 nan 0.000 0.269 233 P C -0.534 176.439 177.300 -0.546 0.000 1.209 233 P CA -0.162 62.666 63.100 -0.454 0.000 0.776 233 P CB 0.483 31.816 31.700 -0.612 0.000 0.876 234 D N 2.134 122.185 120.400 -0.582 0.000 2.405 234 D HA 0.156 4.799 4.640 0.005 0.000 0.264 234 D C -0.029 176.096 176.300 -0.291 0.000 1.240 234 D CA -0.421 53.362 54.000 -0.362 0.000 0.893 234 D CB -0.145 40.534 40.800 -0.201 0.000 1.198 234 D HN 0.036 nan 8.370 nan 0.000 0.514 235 F N 0.933 120.889 119.950 0.009 0.000 2.641 235 F HA 0.054 4.582 4.527 0.002 0.000 0.298 235 F C 2.016 177.837 175.800 0.035 0.000 1.146 235 F CA 0.528 58.543 58.000 0.025 0.000 1.464 235 F CB -0.107 38.915 39.000 0.036 0.000 1.101 235 F HN 0.319 nan 8.300 nan 0.000 0.585 236 E N 0.012 120.297 120.200 0.143 0.000 2.511 236 E HA -0.068 4.284 4.350 0.005 0.000 0.196 236 E C 1.593 178.243 176.600 0.082 0.000 1.066 236 E CA 0.287 56.752 56.400 0.109 0.000 0.871 236 E CB 0.054 29.799 29.700 0.076 0.000 0.863 236 E HN 0.248 nan 8.360 nan 0.000 0.520 237 K N 0.063 120.499 120.400 0.059 0.000 2.360 237 K HA 0.149 4.472 4.320 0.005 0.000 0.196 237 K C 1.732 178.376 176.600 0.073 0.000 1.049 237 K CA 0.014 56.325 56.287 0.039 0.000 1.049 237 K CB 0.420 32.906 32.500 -0.024 0.000 0.881 237 K HN 0.157 nan 8.250 nan 0.000 0.542 238 L N 0.666 121.968 121.223 0.130 0.000 2.349 238 L HA -0.151 4.192 4.340 0.005 0.000 0.220 238 L C 1.194 178.333 176.870 0.448 0.000 1.130 238 L CA 1.109 56.107 54.840 0.265 0.000 0.791 238 L CB -0.254 41.999 42.059 0.323 0.000 0.918 238 L HN -0.060 nan 8.230 nan 0.000 0.444 239 K N -0.921 119.643 120.400 0.273 0.000 2.404 239 K HA 0.062 4.385 4.320 0.005 0.000 0.194 239 K C 0.105 176.832 176.600 0.212 0.000 1.023 239 K CA 0.075 56.498 56.287 0.226 0.000 1.094 239 K CB -0.041 32.544 32.500 0.142 0.000 0.841 239 K HN -0.024 nan 8.250 nan 0.000 0.523 240 D N 0.389 120.932 120.400 0.238 0.000 2.359 240 D HA 0.121 4.764 4.640 0.005 0.000 0.230 240 D C -1.941 174.529 176.300 0.283 0.000 1.118 240 D CA -2.409 51.706 54.000 0.192 0.000 0.844 240 D CB 1.621 42.491 40.800 0.115 0.000 1.059 240 D HN -0.144 nan 8.370 nan 0.000 0.493 241 P HA -0.059 nan 4.420 nan 0.000 0.218 241 P C 1.311 178.701 177.300 0.149 0.000 1.148 241 P CA 0.887 64.108 63.100 0.202 0.000 0.822 241 P CB 0.282 32.066 31.700 0.141 0.000 0.784 242 G N -0.281 108.590 108.800 0.117 0.000 2.418 242 G HA2 -0.223 3.740 3.960 0.005 0.000 0.217 242 G HA3 -0.223 3.740 3.960 0.005 0.000 0.217 242 G C 1.585 176.469 174.900 -0.026 0.000 1.158 242 G CA 0.719 45.814 45.100 -0.008 0.000 0.771 242 G HN 0.174 nan 8.290 nan 0.000 0.545 243 V N -0.620 119.310 119.914 0.026 0.000 2.427 243 V HA -0.122 4.001 4.120 0.005 0.000 0.248 243 V C 2.399 178.446 176.094 -0.078 0.000 1.051 243 V CA 1.489 63.776 62.300 -0.022 0.000 1.048 243 V CB -0.614 31.145 31.823 -0.105 0.000 0.666 243 V HN 0.557 nan 8.190 nan 0.000 0.456 244 W N -0.121 121.164 121.300 -0.025 0.000 2.379 244 W HA -0.055 4.608 4.660 0.005 0.000 0.307 244 W C 2.349 178.821 176.519 -0.078 0.000 1.200 244 W CA 0.995 58.320 57.345 -0.032 0.000 1.297 244 W CB -0.382 29.048 29.460 -0.050 0.000 1.140 244 W HN 0.124 nan 8.180 nan 0.000 0.507 245 I N 0.098 120.675 120.570 0.012 0.000 2.208 245 I HA -0.347 3.826 4.170 0.005 0.000 0.245 245 I C 2.550 178.573 176.117 -0.156 0.000 1.097 245 I CA 1.437 62.561 61.300 -0.292 0.000 1.363 245 I CB -0.994 36.567 38.000 -0.731 0.000 1.051 245 I HN -0.017 nan 8.210 nan 0.000 0.413 246 A N 0.800 123.597 122.820 -0.039 0.000 1.877 246 A HA -0.180 4.142 4.320 0.005 0.000 0.216 246 A C 2.563 180.356 177.584 0.347 0.000 1.186 246 A CA 1.972 54.094 52.037 0.141 0.000 0.620 246 A CB -0.898 18.216 19.000 0.191 0.000 0.822 246 A HN 0.433 nan 8.150 nan 0.000 0.443 247 A N -0.656 122.308 122.820 0.240 0.000 1.877 247 A HA -0.018 4.305 4.320 0.005 0.000 0.216 247 A C 2.248 179.972 177.584 0.232 0.000 1.186 247 A CA 1.910 53.971 52.037 0.040 0.000 0.620 247 A CB -1.010 17.761 19.000 -0.382 0.000 0.822 247 A HN 0.422 nan 8.150 nan 0.000 0.443 248 V N -0.043 120.043 119.914 0.287 0.000 2.358 248 V HA -0.156 3.967 4.120 0.005 0.000 0.246 248 V C 2.823 179.236 176.094 0.532 0.000 1.047 248 V CA 1.850 64.404 62.300 0.423 0.000 1.035 248 V CB -1.489 30.636 31.823 0.502 0.000 0.658 248 V HN 0.621 nan 8.190 nan 0.000 0.452 249 G N -0.610 108.449 108.800 0.432 0.000 2.440 249 G HA2 -0.378 3.585 3.960 0.005 0.000 0.218 249 G HA3 -0.378 3.585 3.960 0.005 0.000 0.218 249 G C 1.528 176.748 174.900 0.533 0.000 1.154 249 G CA 1.210 46.599 45.100 0.482 0.000 0.767 249 G HN 0.517 nan 8.290 nan 0.000 0.552 250 Q N 0.123 120.219 119.800 0.493 0.000 2.119 250 Q HA -0.026 4.317 4.340 0.005 0.000 0.201 250 Q C 2.417 178.746 176.000 0.548 0.000 0.972 250 Q CA 0.935 57.065 55.803 0.546 0.000 0.847 250 Q CB -0.307 28.835 28.738 0.673 0.000 0.903 250 Q HN 0.382 nan 8.270 nan 0.000 0.433 251 I N -0.005 120.819 120.570 0.423 0.000 2.226 251 I HA -0.228 3.945 4.170 0.005 0.000 0.245 251 I C 1.875 178.154 176.117 0.269 0.000 1.100 251 I CA 1.292 62.730 61.300 0.229 0.000 1.374 251 I CB -1.110 36.916 38.000 0.043 0.000 1.057 251 I HN 0.219 nan 8.210 nan 0.000 0.413 252 F N 0.305 120.443 119.950 0.312 0.000 2.075 252 F HA -0.277 4.252 4.527 0.004 0.000 0.297 252 F C 2.547 178.639 175.800 0.487 0.000 1.113 252 F CA 1.887 60.090 58.000 0.338 0.000 1.218 252 F CB -0.867 38.316 39.000 0.305 0.000 0.984 252 F HN -0.072 nan 8.300 nan 0.000 0.472 253 F N 0.139 120.462 119.950 0.621 0.000 2.095 253 F HA -0.266 4.263 4.527 0.005 0.000 0.298 253 F C 2.715 178.682 175.800 0.279 0.000 1.104 253 F CA 2.156 60.489 58.000 0.555 0.000 1.232 253 F CB -0.838 38.436 39.000 0.457 0.000 0.987 253 F HN -0.112 nan 8.300 nan 0.000 0.475 254 T N -0.033 114.824 114.554 0.505 0.000 2.867 254 T HA -0.081 4.272 4.350 0.005 0.000 0.268 254 T C 1.707 176.482 174.700 0.125 0.000 1.057 254 T CA 1.252 63.538 62.100 0.311 0.000 1.136 254 T CB -0.311 68.756 68.868 0.331 0.000 0.874 254 T HN 0.223 nan 8.240 nan 0.000 0.466 255 L N 0.722 122.022 121.223 0.129 0.000 2.611 255 L HA 0.270 4.613 4.340 0.005 0.000 0.229 255 L C 0.972 177.846 176.870 0.007 0.000 1.137 255 L CA -0.044 54.830 54.840 0.056 0.000 0.901 255 L CB 0.026 42.114 42.059 0.049 0.000 1.098 255 L HN 0.133 nan 8.230 nan 0.000 0.456 256 S N 0.336 116.003 115.700 -0.056 0.000 3.561 256 S HA -0.164 4.309 4.470 0.005 0.000 0.318 256 S C 0.308 175.073 174.600 0.274 0.000 1.181 256 S CA 0.426 58.521 58.200 -0.176 0.000 0.916 256 S CB -1.764 61.248 63.200 -0.314 0.000 0.966 256 S HN 0.297 nan 8.310 nan 0.000 0.550 257 L N 0.546 122.009 121.223 0.400 0.000 2.326 257 L HA 0.561 4.904 4.340 0.005 0.000 0.278 257 L C 1.494 178.683 176.870 0.532 0.000 1.092 257 L CA 0.480 55.520 54.840 0.334 0.000 0.810 257 L CB 0.855 42.915 42.059 0.002 0.000 1.153 257 L HN 0.444 nan 8.230 nan 0.000 0.439 258 G N 2.199 111.246 108.800 0.412 0.000 2.159 258 G HA2 -0.314 3.648 3.960 0.005 0.000 0.256 258 G HA3 -0.314 3.648 3.960 0.005 0.000 0.256 258 G C 0.271 175.267 174.900 0.160 0.000 0.977 258 G CA 0.117 45.445 45.100 0.380 0.000 0.652 258 G HN 0.576 nan 8.290 nan 0.000 0.531 259 F N 0.554 120.622 119.950 0.197 0.000 2.653 259 F HA 0.423 4.952 4.527 0.004 0.000 0.304 259 F C 2.090 177.900 175.800 0.016 0.000 1.092 259 F CA 0.571 58.597 58.000 0.044 0.000 1.279 259 F CB 0.741 39.694 39.000 -0.079 0.000 1.044 259 F HN 0.558 nan 8.300 nan 0.000 0.564 260 G N 0.745 109.708 108.800 0.271 0.000 2.196 260 G HA2 -0.413 3.549 3.960 0.005 0.000 0.268 260 G HA3 -0.413 3.549 3.960 0.005 0.000 0.268 260 G C 1.359 176.302 174.900 0.072 0.000 0.975 260 G CA 0.653 45.859 45.100 0.177 0.000 0.648 260 G HN 0.529 nan 8.290 nan 0.000 0.538 261 A N -0.030 122.808 122.820 0.031 0.000 1.930 261 A HA 0.391 4.714 4.320 0.005 0.000 0.215 261 A C 2.322 179.779 177.584 -0.211 0.000 1.176 261 A CA 1.656 53.613 52.037 -0.133 0.000 0.632 261 A CB -0.201 18.638 19.000 -0.267 0.000 0.819 261 A HN 0.438 nan 8.150 nan 0.000 0.445 262 I N 0.284 120.760 120.570 -0.156 0.000 2.252 262 I HA -0.201 3.972 4.170 0.005 0.000 0.245 262 I C 2.389 178.401 176.117 -0.175 0.000 1.102 262 I CA 1.188 62.358 61.300 -0.216 0.000 1.385 262 I CB -1.102 36.812 38.000 -0.143 0.000 1.064 262 I HN 0.301 nan 8.210 nan 0.000 0.414 263 I N 0.611 121.141 120.570 -0.065 0.000 2.163 263 I HA -0.325 3.848 4.170 0.005 0.000 0.243 263 I C 2.502 178.598 176.117 -0.034 0.000 1.085 263 I CA 1.692 62.969 61.300 -0.039 0.000 1.347 263 I CB -0.632 37.379 38.000 0.019 0.000 1.044 263 I HN 0.205 nan 8.210 nan 0.000 0.408 264 T N -0.270 114.291 114.554 0.012 0.000 2.746 264 T HA -0.186 4.167 4.350 0.005 0.000 0.267 264 T C 1.837 176.627 174.700 0.150 0.000 1.039 264 T CA 1.316 63.440 62.100 0.041 0.000 1.142 264 T CB -0.347 68.597 68.868 0.127 0.000 0.866 264 T HN 0.167 nan 8.240 nan 0.000 0.444 265 Y N 1.570 121.911 120.300 0.068 0.000 2.165 265 Y HA 0.007 4.560 4.550 0.005 0.000 0.286 265 Y C 2.707 178.761 175.900 0.256 0.000 1.155 265 Y CA 0.181 58.470 58.100 0.315 0.000 1.164 265 Y CB -1.127 37.430 38.460 0.162 0.000 0.978 265 Y HN 0.212 nan 8.280 nan 0.000 0.513 266 A N -0.656 122.187 122.820 0.039 0.000 2.121 266 A HA -0.126 4.196 4.320 0.005 0.000 0.218 266 A C 2.344 179.947 177.584 0.031 0.000 1.154 266 A CA 1.503 53.492 52.037 -0.080 0.000 0.679 266 A CB -0.941 17.901 19.000 -0.264 0.000 0.795 266 A HN 0.463 nan 8.150 nan 0.000 0.458 267 S N -1.556 114.072 115.700 -0.119 0.000 2.555 267 S HA -0.080 4.393 4.470 0.005 0.000 0.230 267 S C 1.154 175.532 174.600 -0.371 0.000 0.978 267 S CA 0.794 58.831 58.200 -0.272 0.000 0.934 267 S CB -0.664 62.279 63.200 -0.428 0.000 0.766 267 S HN 0.578 nan 8.310 nan 0.000 0.533 268 Y N 1.122 121.472 120.300 0.084 0.000 2.457 268 Y HA 0.467 5.019 4.550 0.004 0.000 0.263 268 Y C 0.602 176.670 175.900 0.280 0.000 1.164 268 Y CA -0.962 57.113 58.100 -0.041 0.000 1.274 268 Y CB -0.118 37.984 38.460 -0.597 0.000 1.097 268 Y HN 0.082 nan 8.280 nan 0.000 0.523 269 V N 2.251 122.453 119.914 0.481 0.000 2.530 269 V HA 0.146 4.268 4.120 0.005 0.000 0.282 269 V C 0.642 176.896 176.094 0.266 0.000 1.048 269 V CA -1.096 61.472 62.300 0.446 0.000 0.997 269 V CB 0.668 32.710 31.823 0.364 0.000 0.987 269 V HN 0.229 nan 8.190 nan 0.000 0.477 270 R N 2.989 123.559 120.500 0.118 0.000 2.698 270 R HA 0.007 4.350 4.340 0.005 0.000 0.266 270 R C 1.579 177.896 176.300 0.028 0.000 1.026 270 R CA -0.088 55.965 56.100 -0.079 0.000 1.102 270 R CB 0.464 30.640 30.300 -0.206 0.000 0.978 270 R HN 0.681 nan 8.270 nan 0.000 0.436 271 K N 2.067 122.475 120.400 0.014 0.000 2.152 271 K HA -0.192 4.130 4.320 0.005 0.000 0.206 271 K C 0.737 177.368 176.600 0.052 0.000 1.048 271 K CA 2.092 58.407 56.287 0.048 0.000 0.933 271 K CB 0.115 32.634 32.500 0.032 0.000 0.721 271 K HN 0.671 nan 8.250 nan 0.000 0.447 272 D N -0.399 120.017 120.400 0.027 0.000 2.354 272 D HA -0.114 4.529 4.640 0.005 0.000 0.209 272 D C 0.413 176.732 176.300 0.032 0.000 1.015 272 D CA 0.011 54.026 54.000 0.025 0.000 0.867 272 D CB -0.028 40.776 40.800 0.007 0.000 0.933 272 D HN 0.268 nan 8.370 nan 0.000 0.520 273 Q N 1.820 121.649 119.800 0.049 0.000 2.314 273 Q HA 0.007 4.350 4.340 0.005 0.000 0.258 273 Q C -0.002 176.041 176.000 0.072 0.000 0.954 273 Q CA -0.491 55.349 55.803 0.062 0.000 0.890 273 Q CB 1.061 29.855 28.738 0.093 0.000 1.210 273 Q HN 0.097 nan 8.270 nan 0.000 0.410 274 D N 3.610 124.033 120.400 0.038 0.000 2.525 274 D HA -0.090 4.553 4.640 0.005 0.000 0.235 274 D C 0.524 176.841 176.300 0.029 0.000 1.137 274 D CA 0.475 54.478 54.000 0.005 0.000 0.868 274 D CB 0.559 41.341 40.800 -0.031 0.000 1.180 274 D HN 0.686 nan 8.370 nan 0.000 0.465 275 I N 0.545 121.108 120.570 -0.012 0.000 4.403 275 I HA 0.019 4.192 4.170 0.005 0.000 0.331 275 I C 1.364 177.322 176.117 -0.266 0.000 1.327 275 I CA -0.516 60.746 61.300 -0.064 0.000 1.175 275 I CB 0.340 38.481 38.000 0.234 0.000 1.165 275 I HN 0.153 nan 8.210 nan 0.000 0.413 276 V N 1.545 121.330 119.914 -0.216 0.000 2.283 276 V HA -0.185 3.937 4.120 0.005 0.000 0.243 276 V C 2.442 178.513 176.094 -0.039 0.000 1.039 276 V CA 1.974 64.121 62.300 -0.255 0.000 1.016 276 V CB -0.396 31.171 31.823 -0.426 0.000 0.650 276 V HN 0.462 nan 8.190 nan 0.000 0.449 277 L N -0.136 121.023 121.223 -0.107 0.000 2.109 277 L HA -0.033 4.310 4.340 0.005 0.000 0.207 277 L C 2.467 179.249 176.870 -0.148 0.000 1.086 277 L CA 1.842 56.639 54.840 -0.071 0.000 0.760 277 L CB -0.608 41.414 42.059 -0.062 0.000 0.910 277 L HN 0.242 nan 8.230 nan 0.000 0.437 278 S N -0.130 115.416 115.700 -0.257 0.000 2.356 278 S HA -0.117 4.355 4.470 0.005 0.000 0.223 278 S C 1.893 176.090 174.600 -0.670 0.000 1.032 278 S CA 1.211 59.189 58.200 -0.370 0.000 1.005 278 S CB -1.013 61.984 63.200 -0.338 0.000 0.867 278 S HN 0.677 nan 8.310 nan 0.000 0.449 279 G N 1.512 109.606 108.800 -1.177 0.000 2.418 279 G HA2 -0.162 3.801 3.960 0.005 0.000 0.217 279 G HA3 -0.162 3.801 3.960 0.005 0.000 0.217 279 G C 1.400 175.974 174.900 -0.544 0.000 1.158 279 G CA 0.886 45.189 45.100 -1.328 0.000 0.771 279 G HN 0.417 nan 8.290 nan 0.000 0.545 280 L N 0.978 122.010 121.223 -0.318 0.000 2.093 280 L HA 0.028 4.370 4.340 0.005 0.000 0.208 280 L C 2.826 179.621 176.870 -0.126 0.000 1.085 280 L CA 2.484 57.188 54.840 -0.226 0.000 0.755 280 L CB -0.887 41.176 42.059 0.006 0.000 0.904 280 L HN 0.167 nan 8.230 nan 0.000 0.435 281 T N -0.168 114.320 114.554 -0.110 0.000 2.777 281 T HA -0.096 4.257 4.350 0.005 0.000 0.266 281 T C 1.928 176.606 174.700 -0.037 0.000 1.040 281 T CA 1.251 63.315 62.100 -0.060 0.000 1.141 281 T CB -0.515 68.317 68.868 -0.059 0.000 0.868 281 T HN 0.512 nan 8.240 nan 0.000 0.444 282 A N 1.588 124.392 122.820 -0.027 0.000 1.902 282 A HA 0.121 4.443 4.320 0.005 0.000 0.217 282 A C 2.654 180.258 177.584 0.034 0.000 1.181 282 A CA 1.899 53.963 52.037 0.045 0.000 0.623 282 A CB -1.162 17.951 19.000 0.188 0.000 0.818 282 A HN 0.504 nan 8.150 nan 0.000 0.443 283 A N -1.170 121.656 122.820 0.009 0.000 1.902 283 A HA -0.094 4.229 4.320 0.005 0.000 0.217 283 A C 2.310 179.946 177.584 0.088 0.000 1.181 283 A CA 2.327 54.399 52.037 0.058 0.000 0.623 283 A CB -1.237 17.757 19.000 -0.010 0.000 0.818 283 A HN 0.430 nan 8.150 nan 0.000 0.443 284 T N 0.280 114.866 114.554 0.054 0.000 2.821 284 T HA -0.026 4.326 4.350 0.005 0.000 0.267 284 T C 1.796 176.481 174.700 -0.025 0.000 1.046 284 T CA 1.277 63.391 62.100 0.023 0.000 1.139 284 T CB -0.331 68.552 68.868 0.025 0.000 0.871 284 T HN 0.351 nan 8.240 nan 0.000 0.454 285 L N 1.195 122.409 121.223 -0.016 0.000 2.046 285 L HA -0.128 4.215 4.340 0.005 0.000 0.208 285 L C 2.589 179.446 176.870 -0.022 0.000 1.077 285 L CA 1.245 56.073 54.840 -0.020 0.000 0.747 285 L CB -0.524 41.525 42.059 -0.017 0.000 0.896 285 L HN 0.286 nan 8.230 nan 0.000 0.432 286 N N -0.198 118.490 118.700 -0.020 0.000 2.120 286 N HA -0.215 4.528 4.740 0.005 0.000 0.188 286 N C 1.800 177.255 175.510 -0.093 0.000 1.024 286 N CA 1.255 54.285 53.050 -0.034 0.000 0.852 286 N CB 0.103 38.586 38.487 -0.006 0.000 1.003 286 N HN 0.148 nan 8.380 nan 0.000 0.424 287 E N 0.563 120.679 120.200 -0.140 0.000 2.106 287 E HA -0.127 4.226 4.350 0.005 0.000 0.192 287 E C 1.782 178.284 176.600 -0.163 0.000 0.984 287 E CA 0.839 57.099 56.400 -0.233 0.000 0.806 287 E CB -0.137 29.269 29.700 -0.491 0.000 0.750 287 E HN 0.511 nan 8.360 nan 0.000 0.458 288 K N 0.582 120.923 120.400 -0.099 0.000 2.057 288 K HA -0.032 4.290 4.320 0.005 0.000 0.206 288 K C 2.151 178.733 176.600 -0.031 0.000 1.050 288 K CA 1.170 57.433 56.287 -0.040 0.000 0.935 288 K CB -0.121 32.378 32.500 -0.002 0.000 0.715 288 K HN 0.043 nan 8.250 nan 0.000 0.439 289 A N 1.244 124.040 122.820 -0.041 0.000 1.969 289 A HA -0.215 4.107 4.320 0.005 0.000 0.218 289 A C 2.031 179.460 177.584 -0.258 0.000 1.169 289 A CA 1.668 53.674 52.037 -0.052 0.000 0.635 289 A CB -0.329 18.667 19.000 -0.008 0.000 0.810 289 A HN 0.390 nan 8.150 nan 0.000 0.445 290 E N -0.134 119.880 120.200 -0.310 0.000 2.014 290 E HA -0.116 4.237 4.350 0.005 0.000 0.190 290 E C 1.966 178.197 176.600 -0.615 0.000 0.980 290 E CA 1.829 57.915 56.400 -0.523 0.000 0.807 290 E CB -0.157 29.241 29.700 -0.504 0.000 0.770 290 E HN 0.459 nan 8.360 nan 0.000 0.451 291 V N -1.050 118.594 119.914 -0.450 0.000 2.649 291 V HA -0.003 4.120 4.120 0.005 0.000 0.248 291 V C 2.085 178.265 176.094 0.143 0.000 1.054 291 V CA 1.097 63.244 62.300 -0.255 0.000 1.073 291 V CB -0.394 31.433 31.823 0.007 0.000 0.699 291 V HN 0.263 nan 8.190 nan 0.000 0.463 292 I N -0.399 120.224 120.570 0.089 0.000 2.429 292 I HA 0.018 4.191 4.170 0.005 0.000 0.247 292 I C 2.422 178.621 176.117 0.136 0.000 1.099 292 I CA 1.226 62.615 61.300 0.149 0.000 1.422 292 I CB -0.093 37.963 38.000 0.093 0.000 1.112 292 I HN 0.233 nan 8.210 nan 0.000 0.430 293 L N 0.092 121.366 121.223 0.085 0.000 2.121 293 L HA 0.134 4.477 4.340 0.005 0.000 0.200 293 L C 2.698 179.690 176.870 0.203 0.000 1.077 293 L CA 1.222 56.154 54.840 0.154 0.000 0.766 293 L CB -1.202 41.001 42.059 0.240 0.000 0.931 293 L HN 0.222 nan 8.230 nan 0.000 0.452 294 G N 0.070 108.852 108.800 -0.029 0.000 2.440 294 G HA2 -0.211 3.751 3.960 0.005 0.000 0.218 294 G HA3 -0.211 3.751 3.960 0.005 0.000 0.218 294 G C 1.549 176.564 174.900 0.193 0.000 1.154 294 G CA 0.804 45.892 45.100 -0.020 0.000 0.767 294 G HN 0.486 nan 8.290 nan 0.000 0.552 295 G N -0.120 108.782 108.800 0.170 0.000 2.509 295 G HA2 0.037 4.000 3.960 0.005 0.000 0.218 295 G HA3 0.037 4.000 3.960 0.005 0.000 0.218 295 G C 1.732 176.801 174.900 0.282 0.000 1.124 295 G CA 1.181 46.467 45.100 0.310 0.000 0.776 295 G HN 0.427 nan 8.290 nan 0.000 0.547 296 S N -0.398 115.467 115.700 0.276 0.000 2.556 296 S HA 0.299 4.772 4.470 0.005 0.000 0.216 296 S C 1.746 176.487 174.600 0.234 0.000 0.970 296 S CA -0.330 58.069 58.200 0.331 0.000 0.912 296 S CB 0.229 63.632 63.200 0.338 0.000 0.790 296 S HN 0.350 nan 8.310 nan 0.000 0.504 297 I N 0.521 121.187 120.570 0.160 0.000 3.025 297 I HA -0.012 4.161 4.170 0.005 0.000 0.236 297 I C 2.208 178.291 176.117 -0.057 0.000 1.063 297 I CA 0.571 61.897 61.300 0.043 0.000 1.476 297 I CB -0.438 37.590 38.000 0.047 0.000 1.331 297 I HN 0.113 nan 8.210 nan 0.000 0.457 298 S N 1.292 116.940 115.700 -0.086 0.000 2.345 298 S HA -0.074 4.398 4.470 0.005 0.000 0.220 298 S C 2.027 176.574 174.600 -0.087 0.000 1.031 298 S CA 1.089 59.180 58.200 -0.182 0.000 0.996 298 S CB -0.220 62.919 63.200 -0.103 0.000 0.882 298 S HN 0.213 nan 8.310 nan 0.000 0.445 299 I N 2.225 122.794 120.570 -0.001 0.000 2.179 299 I HA -0.056 4.117 4.170 0.005 0.000 0.242 299 I C -0.859 175.283 176.117 0.041 0.000 1.088 299 I CA 1.080 62.391 61.300 0.018 0.000 1.357 299 I CB -2.762 35.278 38.000 0.066 0.000 1.051 299 I HN 0.168 nan 8.210 nan 0.000 0.409 300 P HA -0.088 nan 4.420 nan 0.000 0.217 300 P C 1.730 179.076 177.300 0.077 0.000 1.150 300 P CA 1.903 65.066 63.100 0.106 0.000 0.832 300 P CB 0.005 31.826 31.700 0.202 0.000 0.787 301 A N 0.158 123.001 122.820 0.038 0.000 1.877 301 A HA -0.146 4.177 4.320 0.005 0.000 0.216 301 A C 2.345 179.930 177.584 0.002 0.000 1.186 301 A CA 2.310 54.343 52.037 -0.006 0.000 0.620 301 A CB -1.646 17.253 19.000 -0.169 0.000 0.822 301 A HN 0.195 nan 8.150 nan 0.000 0.443 302 A N -0.724 122.089 122.820 -0.011 0.000 1.898 302 A HA 0.023 4.346 4.320 0.005 0.000 0.216 302 A C 2.225 179.898 177.584 0.148 0.000 1.181 302 A CA 1.781 53.879 52.037 0.102 0.000 0.620 302 A CB -0.891 18.135 19.000 0.043 0.000 0.819 302 A HN 0.406 nan 8.150 nan 0.000 0.442 303 V N -0.145 119.797 119.914 0.047 0.000 2.427 303 V HA -0.208 3.915 4.120 0.005 0.000 0.248 303 V C 3.033 179.140 176.094 0.021 0.000 1.051 303 V CA 1.747 64.051 62.300 0.007 0.000 1.048 303 V CB -1.216 30.581 31.823 -0.044 0.000 0.666 303 V HN 0.608 nan 8.190 nan 0.000 0.456 304 A N -0.510 122.337 122.820 0.044 0.000 1.908 304 A HA -0.205 4.117 4.320 0.005 0.000 0.218 304 A C 2.037 179.588 177.584 -0.055 0.000 1.181 304 A CA 1.966 54.014 52.037 0.019 0.000 0.627 304 A CB -0.651 18.401 19.000 0.087 0.000 0.818 304 A HN 0.468 nan 8.150 nan 0.000 0.445 305 F N -2.415 117.385 119.950 -0.249 0.000 2.335 305 F HA 0.145 4.675 4.527 0.006 0.000 0.296 305 F C 1.472 176.909 175.800 -0.604 0.000 1.091 305 F CA 1.004 58.702 58.000 -0.504 0.000 1.399 305 F CB 0.023 38.548 39.000 -0.792 0.000 1.067 305 F HN 0.219 nan 8.300 nan 0.000 0.520 306 F N -0.822 119.179 119.950 0.085 0.000 2.746 306 F HA 0.478 5.007 4.527 0.003 0.000 0.313 306 F C 1.162 176.938 175.800 -0.040 0.000 1.095 306 F CA 0.230 58.238 58.000 0.014 0.000 1.224 306 F CB -0.186 38.813 39.000 -0.002 0.000 1.060 306 F HN -0.069 nan 8.300 nan 0.000 0.584 307 G N 0.501 109.350 108.800 0.082 0.000 2.781 307 G HA2 -0.166 3.796 3.960 0.005 0.000 0.683 307 G HA3 -0.166 3.796 3.960 0.005 0.000 0.683 307 G C 0.501 175.370 174.900 -0.051 0.000 1.390 307 G CA -0.553 44.548 45.100 0.001 0.000 0.850 307 G HN -0.046 nan 8.290 nan 0.000 0.557 308 V N 1.171 121.007 119.914 -0.131 0.000 2.270 308 V HA -0.046 4.076 4.120 0.005 0.000 0.245 308 V C 3.437 179.367 176.094 -0.274 0.000 1.043 308 V CA 3.420 65.541 62.300 -0.297 0.000 1.014 308 V CB -1.404 30.217 31.823 -0.337 0.000 0.645 308 V HN 1.840 nan 8.190 nan 0.000 0.447 309 A N 0.446 123.171 122.820 -0.160 0.000 1.908 309 A HA -0.267 4.056 4.320 0.005 0.000 0.218 309 A C 2.091 179.604 177.584 -0.118 0.000 1.181 309 A CA 2.254 54.217 52.037 -0.123 0.000 0.627 309 A CB -0.717 18.241 19.000 -0.069 0.000 0.818 309 A HN 0.604 nan 8.150 nan 0.000 0.445 310 N N 0.164 118.811 118.700 -0.087 0.000 2.142 310 N HA -0.074 4.669 4.740 0.005 0.000 0.186 310 N C 1.956 177.376 175.510 -0.150 0.000 1.023 310 N CA 1.453 54.443 53.050 -0.101 0.000 0.852 310 N CB -0.571 37.896 38.487 -0.034 0.000 0.998 310 N HN 0.466 nan 8.380 nan 0.000 0.424 311 A N 0.933 123.681 122.820 -0.121 0.000 1.908 311 A HA -0.103 4.220 4.320 0.005 0.000 0.218 311 A C 2.539 180.008 177.584 -0.192 0.000 1.181 311 A CA 1.392 53.344 52.037 -0.142 0.000 0.627 311 A CB -0.836 18.069 19.000 -0.158 0.000 0.818 311 A HN 0.106 nan 8.150 nan 0.000 0.445 312 V N -0.224 119.548 119.914 -0.237 0.000 2.343 312 V HA -0.243 3.880 4.120 0.005 0.000 0.247 312 V C 3.054 179.068 176.094 -0.133 0.000 1.051 312 V CA 1.912 64.099 62.300 -0.189 0.000 1.036 312 V CB -1.185 30.529 31.823 -0.183 0.000 0.654 312 V HN 0.629 nan 8.190 nan 0.000 0.451 313 A N -0.237 122.506 122.820 -0.129 0.000 1.933 313 A HA -0.190 4.133 4.320 0.005 0.000 0.218 313 A C 2.169 179.683 177.584 -0.117 0.000 1.175 313 A CA 1.933 53.905 52.037 -0.109 0.000 0.628 313 A CB -0.534 18.402 19.000 -0.106 0.000 0.814 313 A HN 0.520 nan 8.150 nan 0.000 0.444 314 I N -0.371 120.110 120.570 -0.149 0.000 2.202 314 I HA -0.262 3.911 4.170 0.005 0.000 0.242 314 I C 2.980 179.036 176.117 -0.102 0.000 1.091 314 I CA 1.031 62.244 61.300 -0.145 0.000 1.368 314 I CB -0.308 37.573 38.000 -0.199 0.000 1.058 314 I HN 0.347 nan 8.210 nan 0.000 0.410 315 A N 0.671 123.425 122.820 -0.110 0.000 1.908 315 A HA -0.249 4.074 4.320 0.005 0.000 0.218 315 A C 2.272 179.796 177.584 -0.100 0.000 1.181 315 A CA 1.757 53.731 52.037 -0.105 0.000 0.627 315 A CB -0.508 18.417 19.000 -0.124 0.000 0.818 315 A HN 0.335 nan 8.150 nan 0.000 0.445 316 K N -0.372 119.972 120.400 -0.093 0.000 2.362 316 K HA 0.041 4.363 4.320 0.005 0.000 0.200 316 K C 2.124 178.688 176.600 -0.061 0.000 1.046 316 K CA 0.715 56.954 56.287 -0.079 0.000 0.952 316 K CB -0.240 32.219 32.500 -0.068 0.000 0.753 316 K HN 0.476 nan 8.250 nan 0.000 0.466 317 A N 1.332 124.120 122.820 -0.053 0.000 1.930 317 A HA 0.040 4.363 4.320 0.005 0.000 0.217 317 A C 1.102 178.683 177.584 -0.005 0.000 1.175 317 A CA 1.584 53.607 52.037 -0.024 0.000 0.627 317 A CB -0.120 18.869 19.000 -0.019 0.000 0.815 317 A HN 0.386 nan 8.150 nan 0.000 0.443 318 G N -4.515 104.273 108.800 -0.019 0.000 2.506 318 G HA2 0.518 4.481 3.960 0.005 0.000 0.292 318 G HA3 0.518 4.481 3.960 0.005 0.000 0.292 318 G C 0.324 175.159 174.900 -0.109 0.000 1.425 318 G CA -0.003 45.082 45.100 -0.025 0.000 0.788 318 G HN 0.731 nan 8.290 nan 0.000 0.490 319 A N -0.944 121.712 122.820 -0.274 0.000 2.067 319 A HA 0.418 4.741 4.320 0.005 0.000 0.217 319 A C 1.328 178.644 177.584 -0.447 0.000 1.156 319 A CA 1.315 53.053 52.037 -0.498 0.000 0.683 319 A CB -0.313 18.180 19.000 -0.845 0.000 0.808 319 A HN 0.550 nan 8.150 nan 0.000 0.455 320 F N -0.759 119.300 119.950 0.180 0.000 2.706 320 F HA 0.206 4.736 4.527 0.005 0.000 0.308 320 F C 1.852 177.844 175.800 0.320 0.000 1.095 320 F CA -0.677 57.517 58.000 0.323 0.000 1.244 320 F CB -0.345 38.828 39.000 0.288 0.000 1.063 320 F HN 0.160 nan 8.300 nan 0.000 0.582 321 N N 0.735 119.620 118.700 0.310 0.000 2.084 321 N HA -0.173 4.569 4.740 0.005 0.000 0.190 321 N C 1.932 177.545 175.510 0.172 0.000 1.030 321 N CA 1.304 54.490 53.050 0.226 0.000 0.849 321 N CB -0.221 38.331 38.487 0.109 0.000 1.012 321 N HN 0.205 nan 8.380 nan 0.000 0.423 322 L N 1.039 122.328 121.223 0.111 0.000 2.027 322 L HA -0.006 4.337 4.340 0.005 0.000 0.206 322 L C 2.178 179.077 176.870 0.048 0.000 1.074 322 L CA 1.751 56.610 54.840 0.031 0.000 0.745 322 L CB -0.966 41.090 42.059 -0.006 0.000 0.898 322 L HN 0.079 nan 8.230 nan 0.000 0.433 323 G N -2.314 106.600 108.800 0.190 0.000 2.453 323 G HA2 -0.160 3.803 3.960 0.005 0.000 0.215 323 G HA3 -0.160 3.803 3.960 0.005 0.000 0.215 323 G C 1.158 176.182 174.900 0.208 0.000 1.147 323 G CA 0.437 45.675 45.100 0.230 0.000 0.802 323 G HN 0.410 nan 8.290 nan 0.000 0.535 324 F N -0.605 119.562 119.950 0.363 0.000 2.717 324 F HA 0.467 4.997 4.527 0.005 0.000 0.297 324 F C 1.942 178.008 175.800 0.443 0.000 1.113 324 F CA -0.034 58.214 58.000 0.413 0.000 1.319 324 F CB 0.520 39.622 39.000 0.170 0.000 1.097 324 F HN 0.039 nan 8.300 nan 0.000 0.595 325 I N -1.956 118.874 120.570 0.435 0.000 3.518 325 I HA -0.059 4.114 4.170 0.005 0.000 0.260 325 I C 1.982 178.142 176.117 0.071 0.000 1.148 325 I CA 0.569 62.065 61.300 0.327 0.000 1.440 325 I CB -0.410 37.755 38.000 0.276 0.000 1.485 325 I HN -0.201 nan 8.210 nan 0.000 0.456 326 T N 1.971 116.524 114.554 -0.002 0.000 2.737 326 T HA -0.130 4.223 4.350 0.005 0.000 0.265 326 T C 1.851 176.361 174.700 -0.317 0.000 1.038 326 T CA 1.338 63.370 62.100 -0.113 0.000 1.144 326 T CB -0.265 68.552 68.868 -0.086 0.000 0.866 326 T HN 0.053 nan 8.240 nan 0.000 0.434 327 L N 2.534 123.493 121.223 -0.440 0.000 1.994 327 L HA -0.009 4.334 4.340 0.005 0.000 0.208 327 L C -0.723 175.522 176.870 -1.042 0.000 1.071 327 L CA 1.948 56.252 54.840 -0.894 0.000 0.745 327 L CB -1.297 40.047 42.059 -1.192 0.000 0.892 327 L HN 0.144 nan 8.230 nan 0.000 0.431 328 P HA -0.144 nan 4.420 nan 0.000 0.218 328 P C 1.389 178.222 177.300 -0.779 0.000 1.149 328 P CA 1.901 64.734 63.100 -0.444 0.000 0.817 328 P CB -0.135 31.602 31.700 0.061 0.000 0.785 329 A N 0.243 122.410 122.820 -1.088 0.000 1.877 329 A HA -0.155 4.168 4.320 0.005 0.000 0.216 329 A C 2.369 179.624 177.584 -0.548 0.000 1.186 329 A CA 1.408 52.786 52.037 -1.098 0.000 0.620 329 A CB -1.583 17.096 19.000 -0.536 0.000 0.822 329 A HN 0.097 nan 8.150 nan 0.000 0.443 330 I N -1.320 118.888 120.570 -0.604 0.000 2.163 330 I HA -0.262 3.911 4.170 0.005 0.000 0.243 330 I C 2.235 178.058 176.117 -0.490 0.000 1.085 330 I CA 1.313 62.108 61.300 -0.841 0.000 1.347 330 I CB -0.438 36.951 38.000 -1.018 0.000 1.044 330 I HN 0.259 nan 8.210 nan 0.000 0.408 331 F N 1.234 120.928 119.950 -0.427 0.000 2.161 331 F HA -0.230 4.299 4.527 0.004 0.000 0.300 331 F C 3.009 178.752 175.800 -0.094 0.000 1.089 331 F CA 1.403 59.264 58.000 -0.231 0.000 1.282 331 F CB -1.622 37.274 39.000 -0.173 0.000 1.010 331 F HN 0.208 nan 8.300 nan 0.000 0.485 332 S N -0.585 115.176 115.700 0.100 0.000 2.469 332 S HA -0.167 4.306 4.470 0.005 0.000 0.238 332 S C 1.466 176.149 174.600 0.137 0.000 0.998 332 S CA 0.794 59.099 58.200 0.175 0.000 0.957 332 S CB -0.379 62.993 63.200 0.287 0.000 0.764 332 S HN 0.373 nan 8.310 nan 0.000 0.514 333 Q N 1.781 121.634 119.800 0.089 0.000 2.320 333 Q HA 0.187 4.530 4.340 0.005 0.000 0.201 333 Q C 0.556 176.646 176.000 0.150 0.000 0.910 333 Q CA 0.502 56.387 55.803 0.137 0.000 0.946 333 Q CB 0.272 29.138 28.738 0.213 0.000 1.062 333 Q HN 0.868 nan 8.270 nan 0.000 0.503 334 T N -3.427 111.201 114.554 0.124 0.000 2.908 334 T HA 0.735 5.088 4.350 0.005 0.000 0.290 334 T C -0.186 174.560 174.700 0.077 0.000 1.034 334 T CA -0.840 61.320 62.100 0.101 0.000 1.010 334 T CB 2.126 71.044 68.868 0.084 0.000 1.068 334 T HN 0.081 nan 8.240 nan 0.000 0.481 335 A N 0.760 123.615 122.820 0.057 0.000 2.524 335 A HA 0.535 4.858 4.320 0.005 0.000 0.250 335 A C 1.637 179.255 177.584 0.056 0.000 1.078 335 A CA 0.323 52.390 52.037 0.050 0.000 0.761 335 A CB -1.393 17.627 19.000 0.034 0.000 1.012 335 A HN 2.456 nan 8.150 nan 0.000 0.500 336 G N 1.626 110.471 108.800 0.074 0.000 2.153 336 G HA2 -0.142 3.821 3.960 0.005 0.000 0.252 336 G HA3 -0.142 3.821 3.960 0.005 0.000 0.252 336 G C 1.175 176.170 174.900 0.159 0.000 0.994 336 G CA 0.890 46.057 45.100 0.112 0.000 0.698 336 G HN 1.852 nan 8.290 nan 0.000 0.521 337 G N -0.623 108.258 108.800 0.135 0.000 2.422 337 G HA2 0.022 3.985 3.960 0.005 0.000 0.218 337 G HA3 0.022 3.985 3.960 0.005 0.000 0.218 337 G C 1.610 176.679 174.900 0.281 0.000 1.140 337 G CA 2.189 47.378 45.100 0.148 0.000 0.775 337 G HN 0.604 nan 8.290 nan 0.000 0.545 338 T N 0.600 115.344 114.554 0.317 0.000 2.777 338 T HA -0.088 4.264 4.350 0.005 0.000 0.266 338 T C 1.915 176.924 174.700 0.515 0.000 1.040 338 T CA 0.902 63.268 62.100 0.443 0.000 1.141 338 T CB -0.264 68.764 68.868 0.266 0.000 0.868 338 T HN 0.232 nan 8.240 nan 0.000 0.444 339 F N 1.362 121.465 119.950 0.255 0.000 2.171 339 F HA 0.016 4.546 4.527 0.004 0.000 0.300 339 F C 1.917 177.889 175.800 0.287 0.000 1.090 339 F CA 0.530 58.693 58.000 0.271 0.000 1.293 339 F CB -0.417 38.671 39.000 0.147 0.000 1.013 339 F HN 0.000 nan 8.300 nan 0.000 0.486 340 L N 0.460 121.801 121.223 0.197 0.000 2.079 340 L HA -0.050 4.293 4.340 0.005 0.000 0.210 340 L C 2.566 179.430 176.870 -0.009 0.000 1.081 340 L CA 2.103 56.893 54.840 -0.084 0.000 0.752 340 L CB -1.529 40.243 42.059 -0.478 0.000 0.896 340 L HN 0.219 nan 8.230 nan 0.000 0.433 341 G N -1.285 107.663 108.800 0.247 0.000 2.421 341 G HA2 -0.369 3.593 3.960 0.005 0.000 0.216 341 G HA3 -0.369 3.593 3.960 0.005 0.000 0.216 341 G C 1.581 176.570 174.900 0.148 0.000 1.171 341 G CA 0.839 46.070 45.100 0.219 0.000 0.775 341 G HN 0.461 nan 8.290 nan 0.000 0.543 342 F N 1.533 121.576 119.950 0.155 0.000 2.091 342 F HA -0.101 4.429 4.527 0.005 0.000 0.299 342 F C 2.384 178.163 175.800 -0.035 0.000 1.103 342 F CA 1.479 59.535 58.000 0.092 0.000 1.228 342 F CB -0.415 38.532 39.000 -0.089 0.000 0.984 342 F HN 0.073 nan 8.300 nan 0.000 0.477 343 L N -0.614 120.302 121.223 -0.512 0.000 2.046 343 L HA -0.257 4.086 4.340 0.005 0.000 0.208 343 L C 2.614 179.331 176.870 -0.255 0.000 1.077 343 L CA 1.674 56.185 54.840 -0.549 0.000 0.747 343 L CB -1.124 40.756 42.059 -0.297 0.000 0.896 343 L HN 0.553 nan 8.230 nan 0.000 0.432 344 W N 1.027 122.113 121.300 -0.356 0.000 2.354 344 W HA -0.280 4.384 4.660 0.006 0.000 0.315 344 W C 2.184 178.399 176.519 -0.506 0.000 1.206 344 W CA 1.399 58.481 57.345 -0.437 0.000 1.290 344 W CB -0.341 28.822 29.460 -0.494 0.000 1.152 344 W HN 0.057 nan 8.180 nan 0.000 0.489 345 F N -0.237 119.522 119.950 -0.319 0.000 2.234 345 F HA -0.125 4.405 4.527 0.005 0.000 0.299 345 F C 2.250 177.895 175.800 -0.258 0.000 1.087 345 F CA 1.299 59.065 58.000 -0.390 0.000 1.340 345 F CB -1.615 37.310 39.000 -0.125 0.000 1.031 345 F HN -0.160 nan 8.300 nan 0.000 0.500 346 F N 0.266 120.019 119.950 -0.327 0.000 2.146 346 F HA -0.166 4.363 4.527 0.004 0.000 0.298 346 F C 2.257 177.873 175.800 -0.306 0.000 1.096 346 F CA 1.002 58.782 58.000 -0.367 0.000 1.275 346 F CB -0.572 37.943 39.000 -0.807 0.000 1.008 346 F HN -0.045 nan 8.300 nan 0.000 0.480 347 L N 0.515 121.550 121.223 -0.313 0.000 1.990 347 L HA -0.231 4.112 4.340 0.005 0.000 0.213 347 L C 2.109 178.707 176.870 -0.454 0.000 1.072 347 L CA 1.945 56.544 54.840 -0.402 0.000 0.755 347 L CB -1.099 40.679 42.059 -0.469 0.000 0.889 347 L HN 0.238 nan 8.230 nan 0.000 0.432 348 L N -1.654 119.223 121.223 -0.577 0.000 2.042 348 L HA -0.236 4.107 4.340 0.005 0.000 0.210 348 L C 2.502 179.288 176.870 -0.139 0.000 1.076 348 L CA 1.534 56.105 54.840 -0.448 0.000 0.749 348 L CB -0.812 40.885 42.059 -0.604 0.000 0.893 348 L HN 0.340 nan 8.230 nan 0.000 0.432 349 F N 0.393 120.216 119.950 -0.212 0.000 2.075 349 F HA -0.257 4.272 4.527 0.004 0.000 0.297 349 F C 2.271 178.110 175.800 0.064 0.000 1.113 349 F CA 1.427 59.382 58.000 -0.075 0.000 1.218 349 F CB -0.424 38.527 39.000 -0.083 0.000 0.984 349 F HN -0.114 nan 8.300 nan 0.000 0.472 350 F N 0.677 120.355 119.950 -0.453 0.000 2.171 350 F HA -0.069 4.460 4.527 0.004 0.000 0.300 350 F C 2.607 178.270 175.800 -0.229 0.000 1.090 350 F CA 0.884 58.644 58.000 -0.400 0.000 1.293 350 F CB -1.588 37.211 39.000 -0.335 0.000 1.013 350 F HN 0.090 nan 8.300 nan 0.000 0.486 351 A N -0.020 122.803 122.820 0.007 0.000 1.877 351 A HA -0.088 4.235 4.320 0.005 0.000 0.216 351 A C 2.622 180.240 177.584 0.057 0.000 1.186 351 A CA 1.885 53.958 52.037 0.060 0.000 0.620 351 A CB -1.534 17.537 19.000 0.118 0.000 0.822 351 A HN 0.394 nan 8.150 nan 0.000 0.443 352 G N -0.392 108.407 108.800 -0.001 0.000 2.402 352 G HA2 -0.099 3.864 3.960 0.005 0.000 0.216 352 G HA3 -0.099 3.864 3.960 0.005 0.000 0.216 352 G C 1.480 176.400 174.900 0.033 0.000 1.162 352 G CA 1.146 46.289 45.100 0.071 0.000 0.777 352 G HN 0.481 nan 8.290 nan 0.000 0.539 353 L N 1.873 122.961 121.223 -0.224 0.000 2.046 353 L HA -0.048 4.295 4.340 0.005 0.000 0.208 353 L C 3.030 179.821 176.870 -0.132 0.000 1.077 353 L CA 2.799 57.459 54.840 -0.300 0.000 0.747 353 L CB -1.102 40.562 42.059 -0.658 0.000 0.896 353 L HN 0.352 nan 8.230 nan 0.000 0.432 354 T N -4.649 109.880 114.554 -0.041 0.000 3.007 354 T HA -0.057 4.295 4.350 0.005 0.000 0.270 354 T C 1.842 176.543 174.700 0.000 0.000 1.107 354 T CA 1.301 63.428 62.100 0.044 0.000 1.118 354 T CB -0.423 68.474 68.868 0.047 0.000 0.889 354 T HN 0.315 nan 8.240 nan 0.000 0.506 355 S N 1.508 117.189 115.700 -0.032 0.000 2.441 355 S HA 0.029 4.501 4.470 0.005 0.000 0.224 355 S C 2.439 176.885 174.600 -0.256 0.000 1.043 355 S CA 0.708 58.811 58.200 -0.162 0.000 0.948 355 S CB -0.165 62.939 63.200 -0.160 0.000 0.810 355 S HN 0.813 nan 8.310 nan 0.000 0.504 356 S N 2.986 118.619 115.700 -0.111 0.000 2.406 356 S HA -0.043 4.430 4.470 0.005 0.000 0.228 356 S C 1.986 176.526 174.600 -0.099 0.000 1.020 356 S CA 0.956 59.090 58.200 -0.109 0.000 0.965 356 S CB -0.964 62.281 63.200 0.075 0.000 0.798 356 S HN 0.693 nan 8.310 nan 0.000 0.488 357 I N 0.225 120.752 120.570 -0.071 0.000 2.361 357 I HA 0.031 4.204 4.170 0.005 0.000 0.251 357 I C 2.540 178.674 176.117 0.029 0.000 1.133 357 I CA 1.274 62.557 61.300 -0.028 0.000 1.413 357 I CB -0.871 37.112 38.000 -0.028 0.000 1.073 357 I HN 0.323 nan 8.210 nan 0.000 0.424 358 A N 2.686 125.483 122.820 -0.039 0.000 1.968 358 A HA 0.001 4.324 4.320 0.005 0.000 0.217 358 A C 2.283 179.739 177.584 -0.213 0.000 1.169 358 A CA 1.628 53.553 52.037 -0.187 0.000 0.638 358 A CB -0.772 17.918 19.000 -0.517 0.000 0.812 358 A HN 0.724 nan 8.150 nan 0.000 0.446 359 I N -4.749 115.683 120.570 -0.230 0.000 3.793 359 I HA 0.164 4.337 4.170 0.005 0.000 0.315 359 I C 1.873 177.938 176.117 -0.086 0.000 1.275 359 I CA 0.476 61.658 61.300 -0.196 0.000 1.214 359 I CB -0.071 37.745 38.000 -0.306 0.000 1.018 359 I HN 0.104 nan 8.210 nan 0.000 0.439 360 M N 0.429 120.003 119.600 -0.044 0.000 2.501 360 M HA 0.010 4.493 4.480 0.005 0.000 0.261 360 M C 2.131 178.462 176.300 0.051 0.000 1.129 360 M CA 0.765 56.072 55.300 0.012 0.000 1.126 360 M CB 0.032 32.641 32.600 0.015 0.000 1.359 360 M HN 0.208 nan 8.290 nan 0.000 0.471 361 Q N 1.389 121.235 119.800 0.076 0.000 2.170 361 Q HA -0.092 4.251 4.340 0.005 0.000 0.203 361 Q C -1.070 175.013 176.000 0.139 0.000 0.976 361 Q CA 1.903 57.787 55.803 0.135 0.000 0.858 361 Q CB -1.159 27.738 28.738 0.265 0.000 0.907 361 Q HN 0.231 nan 8.270 nan 0.000 0.433 362 P HA -0.128 nan 4.420 nan 0.000 0.216 362 P C 1.113 178.480 177.300 0.111 0.000 1.153 362 P CA 1.285 64.439 63.100 0.092 0.000 0.848 362 P CB -0.139 31.584 31.700 0.039 0.000 0.787 363 M N -0.916 118.742 119.600 0.097 0.000 2.117 363 M HA -0.099 4.384 4.480 0.005 0.000 0.262 363 M C 1.870 178.282 176.300 0.187 0.000 1.065 363 M CA 1.755 57.137 55.300 0.137 0.000 1.114 363 M CB -1.273 31.401 32.600 0.123 0.000 1.361 363 M HN -0.217 nan 8.290 nan 0.000 0.408 364 I N -0.126 120.529 120.570 0.142 0.000 2.208 364 I HA -0.301 3.871 4.170 0.005 0.000 0.245 364 I C 2.368 178.553 176.117 0.113 0.000 1.097 364 I CA 1.407 62.779 61.300 0.120 0.000 1.363 364 I CB -0.765 37.282 38.000 0.078 0.000 1.051 364 I HN 0.396 nan 8.210 nan 0.000 0.413 365 A N 0.251 123.153 122.820 0.137 0.000 1.930 365 A HA -0.220 4.103 4.320 0.005 0.000 0.217 365 A C 2.224 179.865 177.584 0.096 0.000 1.175 365 A CA 1.220 53.332 52.037 0.126 0.000 0.627 365 A CB -0.895 18.196 19.000 0.152 0.000 0.815 365 A HN 0.468 nan 8.150 nan 0.000 0.443 366 F N 0.769 120.722 119.950 0.006 0.000 2.102 366 F HA -0.136 4.393 4.527 0.005 0.000 0.298 366 F C 1.854 177.637 175.800 -0.027 0.000 1.105 366 F CA 1.755 59.742 58.000 -0.021 0.000 1.239 366 F CB -0.284 38.687 39.000 -0.048 0.000 0.991 366 F HN 0.135 nan 8.300 nan 0.000 0.474 367 L N 0.076 121.281 121.223 -0.031 0.000 2.046 367 L HA -0.202 4.141 4.340 0.005 0.000 0.208 367 L C 2.395 179.169 176.870 -0.161 0.000 1.077 367 L CA 1.759 56.525 54.840 -0.124 0.000 0.747 367 L CB -0.812 41.291 42.059 0.073 0.000 0.896 367 L HN 0.219 nan 8.230 nan 0.000 0.432 368 E N -0.013 120.136 120.200 -0.086 0.000 2.028 368 E HA -0.197 4.156 4.350 0.005 0.000 0.191 368 E C 1.794 178.309 176.600 -0.143 0.000 0.988 368 E CA 1.355 57.703 56.400 -0.088 0.000 0.799 368 E CB -0.016 29.657 29.700 -0.045 0.000 0.755 368 E HN 0.450 nan 8.360 nan 0.000 0.447 369 D N 0.240 120.545 120.400 -0.159 0.000 2.123 369 D HA -0.105 4.538 4.640 0.005 0.000 0.200 369 D C 1.799 177.968 176.300 -0.219 0.000 0.976 369 D CA 1.005 54.901 54.000 -0.174 0.000 0.831 369 D CB 0.021 40.754 40.800 -0.113 0.000 0.974 369 D HN 0.132 nan 8.370 nan 0.000 0.469 370 E N -0.281 119.694 120.200 -0.375 0.000 2.290 370 E HA 0.147 4.500 4.350 0.005 0.000 0.197 370 E C 2.021 178.361 176.600 -0.434 0.000 0.948 370 E CA 0.089 56.230 56.400 -0.431 0.000 0.895 370 E CB 0.448 29.733 29.700 -0.691 0.000 0.865 370 E HN 0.276 nan 8.360 nan 0.000 0.486 371 L N 0.630 121.566 121.223 -0.478 0.000 2.693 371 L HA 0.170 4.513 4.340 0.005 0.000 0.235 371 L C -0.034 176.720 176.870 -0.194 0.000 1.127 371 L CA -0.108 54.542 54.840 -0.316 0.000 0.914 371 L CB 0.240 42.112 42.059 -0.312 0.000 1.193 371 L HN -0.152 nan 8.230 nan 0.000 0.502 372 K N 0.123 120.416 120.400 -0.179 0.000 3.129 372 K HA -0.174 4.149 4.320 0.005 0.000 0.273 372 K C -0.285 176.275 176.600 -0.066 0.000 1.123 372 K CA 0.486 56.704 56.287 -0.114 0.000 0.800 372 K CB -2.212 30.230 32.500 -0.098 0.000 1.238 372 K HN 0.138 nan 8.250 nan 0.000 0.492 373 L N 1.124 122.317 121.223 -0.051 0.000 2.439 373 L HA 0.087 4.430 4.340 0.005 0.000 0.269 373 L C 1.369 178.246 176.870 0.012 0.000 1.179 373 L CA 0.506 55.364 54.840 0.030 0.000 0.828 373 L CB 0.684 42.793 42.059 0.082 0.000 1.106 373 L HN 0.317 nan 8.230 nan 0.000 0.467 374 S N 2.602 118.314 115.700 0.020 0.000 2.576 374 S HA 0.104 4.576 4.470 0.005 0.000 0.272 374 S C 1.278 175.845 174.600 -0.055 0.000 1.352 374 S CA -0.184 57.974 58.200 -0.070 0.000 1.021 374 S CB 0.439 63.524 63.200 -0.192 0.000 0.887 374 S HN 0.672 nan 8.310 nan 0.000 0.542 375 R N 1.525 121.974 120.500 -0.084 0.000 2.103 375 R HA -0.179 4.164 4.340 0.005 0.000 0.242 375 R C 2.325 178.589 176.300 -0.060 0.000 1.142 375 R CA 1.948 58.005 56.100 -0.072 0.000 0.960 375 R CB -0.419 29.816 30.300 -0.108 0.000 0.858 375 R HN 0.863 nan 8.270 nan 0.000 0.439 376 K N -0.446 119.883 120.400 -0.117 0.000 2.032 376 K HA -0.223 4.099 4.320 0.005 0.000 0.209 376 K C 1.810 178.412 176.600 0.004 0.000 1.048 376 K CA 2.172 58.392 56.287 -0.111 0.000 0.927 376 K CB -0.233 32.144 32.500 -0.205 0.000 0.712 376 K HN 0.517 nan 8.250 nan 0.000 0.441 377 H N -0.899 118.196 119.070 0.041 0.000 2.423 377 H HA -0.014 4.544 4.556 0.004 0.000 0.297 377 H C 2.030 177.494 175.328 0.226 0.000 1.075 377 H CA 0.580 56.705 56.048 0.128 0.000 1.342 377 H CB 0.125 30.005 29.762 0.196 0.000 1.395 377 H HN 0.387 nan 8.280 nan 0.000 0.530 378 A N 0.635 123.612 122.820 0.261 0.000 1.898 378 A HA -0.113 4.209 4.320 0.005 0.000 0.216 378 A C 2.531 180.226 177.584 0.186 0.000 1.181 378 A CA 1.291 53.459 52.037 0.219 0.000 0.620 378 A CB -0.668 18.400 19.000 0.114 0.000 0.819 378 A HN 0.199 nan 8.150 nan 0.000 0.442 379 V N 0.133 120.107 119.914 0.101 0.000 2.358 379 V HA -0.225 3.898 4.120 0.005 0.000 0.246 379 V C 2.551 178.680 176.094 0.058 0.000 1.047 379 V CA 1.832 64.163 62.300 0.052 0.000 1.035 379 V CB -0.730 31.081 31.823 -0.019 0.000 0.658 379 V HN 0.551 nan 8.190 nan 0.000 0.452 380 L N -1.894 119.353 121.223 0.041 0.000 2.056 380 L HA -0.164 4.179 4.340 0.005 0.000 0.207 380 L C 2.422 179.265 176.870 -0.046 0.000 1.078 380 L CA 1.911 56.720 54.840 -0.051 0.000 0.749 380 L CB -0.508 41.471 42.059 -0.133 0.000 0.901 380 L HN 0.370 nan 8.230 nan 0.000 0.433 381 W N 0.129 121.480 121.300 0.085 0.000 2.363 381 W HA -0.174 4.489 4.660 0.004 0.000 0.296 381 W C 2.699 179.290 176.519 0.120 0.000 1.212 381 W CA 1.292 58.696 57.345 0.098 0.000 1.260 381 W CB -0.456 29.066 29.460 0.104 0.000 1.131 381 W HN 0.019 nan 8.180 nan 0.000 0.530 382 T N -0.014 114.743 114.554 0.339 0.000 2.746 382 T HA -0.199 4.154 4.350 0.005 0.000 0.267 382 T C 1.941 176.766 174.700 0.209 0.000 1.039 382 T CA 1.710 63.962 62.100 0.252 0.000 1.142 382 T CB -0.684 68.293 68.868 0.181 0.000 0.866 382 T HN 0.194 nan 8.240 nan 0.000 0.444 383 A N 1.280 124.188 122.820 0.148 0.000 1.933 383 A HA 0.172 4.495 4.320 0.005 0.000 0.218 383 A C 2.596 180.300 177.584 0.200 0.000 1.175 383 A CA 1.774 53.882 52.037 0.118 0.000 0.628 383 A CB -0.960 18.053 19.000 0.021 0.000 0.814 383 A HN 0.505 nan 8.150 nan 0.000 0.444 384 A N -0.098 122.839 122.820 0.196 0.000 1.898 384 A HA -0.017 4.306 4.320 0.005 0.000 0.216 384 A C 2.093 179.909 177.584 0.386 0.000 1.181 384 A CA 1.395 53.590 52.037 0.263 0.000 0.620 384 A CB -0.533 18.538 19.000 0.119 0.000 0.819 384 A HN 0.488 nan 8.150 nan 0.000 0.442 385 I N -0.554 120.230 120.570 0.358 0.000 2.252 385 I HA -0.188 3.985 4.170 0.005 0.000 0.245 385 I C 2.303 178.644 176.117 0.374 0.000 1.102 385 I CA 0.962 62.473 61.300 0.351 0.000 1.385 385 I CB -0.264 37.913 38.000 0.295 0.000 1.064 385 I HN 0.143 nan 8.210 nan 0.000 0.414 386 V N 0.643 120.755 119.914 0.330 0.000 2.307 386 V HA -0.284 3.839 4.120 0.005 0.000 0.245 386 V C 2.273 178.606 176.094 0.399 0.000 1.045 386 V CA 1.814 64.301 62.300 0.312 0.000 1.024 386 V CB -0.664 31.308 31.823 0.248 0.000 0.651 386 V HN 0.354 nan 8.190 nan 0.000 0.449 387 F N 0.703 120.831 119.950 0.297 0.000 2.069 387 F HA -0.247 4.283 4.527 0.004 0.000 0.298 387 F C 2.143 178.234 175.800 0.485 0.000 1.113 387 F CA 1.921 60.148 58.000 0.380 0.000 1.214 387 F CB -0.702 38.452 39.000 0.255 0.000 0.978 387 F HN 0.203 nan 8.300 nan 0.000 0.474 388 F N 0.956 121.010 119.950 0.173 0.000 2.046 388 F HA -0.214 4.316 4.527 0.005 0.000 0.297 388 F C 2.537 178.373 175.800 0.059 0.000 1.123 388 F CA 2.278 60.293 58.000 0.026 0.000 1.199 388 F CB -1.104 37.951 39.000 0.091 0.000 0.972 388 F HN -0.042 nan 8.300 nan 0.000 0.474 389 S N 0.557 116.285 115.700 0.047 0.000 2.400 389 S HA -0.172 4.300 4.470 0.005 0.000 0.232 389 S C 2.199 176.685 174.600 -0.190 0.000 1.025 389 S CA 0.957 59.096 58.200 -0.102 0.000 0.993 389 S CB -0.907 62.471 63.200 0.297 0.000 0.808 389 S HN 0.567 nan 8.310 nan 0.000 0.478 390 A N 0.906 123.670 122.820 -0.093 0.000 2.121 390 A HA -0.110 4.213 4.320 0.005 0.000 0.218 390 A C 1.591 178.897 177.584 -0.463 0.000 1.154 390 A CA 1.254 53.142 52.037 -0.248 0.000 0.679 390 A CB -0.712 18.141 19.000 -0.246 0.000 0.795 390 A HN 0.526 nan 8.150 nan 0.000 0.458 391 H N -1.246 117.559 119.070 -0.441 0.000 2.456 391 H HA -0.071 4.488 4.556 0.005 0.000 0.296 391 H C 1.799 177.018 175.328 -0.182 0.000 1.079 391 H CA 1.463 57.344 56.048 -0.279 0.000 1.322 391 H CB -0.109 29.458 29.762 -0.324 0.000 1.388 391 H HN 0.413 nan 8.280 nan 0.000 0.538 392 L N -0.105 120.985 121.223 -0.220 0.000 2.046 392 L HA -0.122 4.221 4.340 0.005 0.000 0.208 392 L C 2.052 178.852 176.870 -0.117 0.000 1.077 392 L CA 1.177 55.911 54.840 -0.176 0.000 0.747 392 L CB -0.421 41.470 42.059 -0.281 0.000 0.896 392 L HN 0.112 nan 8.230 nan 0.000 0.432 393 V N -0.807 119.007 119.914 -0.167 0.000 2.548 393 V HA -0.251 3.871 4.120 0.005 0.000 0.249 393 V C 2.445 178.401 176.094 -0.230 0.000 1.055 393 V CA 1.750 63.978 62.300 -0.120 0.000 1.065 393 V CB -0.428 31.371 31.823 -0.040 0.000 0.681 393 V HN 0.419 nan 8.190 nan 0.000 0.462 394 M N -1.648 117.628 119.600 -0.540 0.000 2.319 394 M HA -0.020 4.463 4.480 0.005 0.000 0.265 394 M C 1.586 177.480 176.300 -0.676 0.000 1.068 394 M CA 1.942 56.757 55.300 -0.808 0.000 1.118 394 M CB -0.070 31.814 32.600 -1.194 0.000 1.395 394 M HN 0.341 nan 8.290 nan 0.000 0.435 395 F N -1.319 118.515 119.950 -0.193 0.000 2.752 395 F HA 0.271 4.801 4.527 0.005 0.000 0.310 395 F C 0.208 175.944 175.800 -0.106 0.000 1.097 395 F CA -0.422 57.498 58.000 -0.133 0.000 1.238 395 F CB 0.614 39.538 39.000 -0.127 0.000 1.061 395 F HN -0.104 nan 8.300 nan 0.000 0.591 396 L N 1.245 122.489 121.223 0.034 0.000 2.280 396 L HA 0.434 4.777 4.340 0.005 0.000 0.287 396 L C -0.178 176.664 176.870 -0.047 0.000 1.023 396 L CA -0.641 54.192 54.840 -0.011 0.000 0.819 396 L CB 0.373 42.422 42.059 -0.016 0.000 1.212 396 L HN -0.109 nan 8.230 nan 0.000 0.420 397 N N 4.519 123.172 118.700 -0.079 0.000 2.412 397 N HA 0.038 4.781 4.740 0.005 0.000 0.258 397 N C 0.233 175.691 175.510 -0.087 0.000 1.236 397 N CA 0.597 53.591 53.050 -0.095 0.000 0.882 397 N CB 0.360 38.764 38.487 -0.138 0.000 1.066 397 N HN 0.466 nan 8.380 nan 0.000 0.465 398 K N 0.209 120.580 120.400 -0.048 0.000 3.500 398 K HA -0.209 4.114 4.320 0.005 0.000 0.313 398 K C 1.175 177.766 176.600 -0.016 0.000 1.338 398 K CA 1.078 57.345 56.287 -0.033 0.000 0.963 398 K CB -2.115 30.347 32.500 -0.063 0.000 1.267 398 K HN 0.535 nan 8.250 nan 0.000 0.448 399 S N 0.645 116.342 115.700 -0.007 0.000 2.368 399 S HA -0.019 4.453 4.470 0.005 0.000 0.225 399 S C 1.810 176.424 174.600 0.023 0.000 1.030 399 S CA 1.426 59.639 58.200 0.021 0.000 0.999 399 S CB -0.053 63.157 63.200 0.016 0.000 0.844 399 S HN 0.447 nan 8.310 nan 0.000 0.459 400 L N 1.145 122.378 121.223 0.016 0.000 2.013 400 L HA -0.215 4.128 4.340 0.005 0.000 0.212 400 L C 1.786 178.550 176.870 -0.177 0.000 1.073 400 L CA 2.505 57.318 54.840 -0.045 0.000 0.753 400 L CB -0.665 41.438 42.059 0.073 0.000 0.890 400 L HN 0.287 nan 8.230 nan 0.000 0.432 401 D N -0.582 119.777 120.400 -0.069 0.000 2.117 401 D HA -0.231 4.412 4.640 0.005 0.000 0.197 401 D C 2.058 178.333 176.300 -0.042 0.000 0.987 401 D CA 1.284 55.240 54.000 -0.073 0.000 0.829 401 D CB -0.063 40.711 40.800 -0.043 0.000 0.961 401 D HN 0.369 nan 8.370 nan 0.000 0.460 402 E N 0.091 120.301 120.200 0.017 0.000 2.051 402 E HA -0.103 4.250 4.350 0.005 0.000 0.192 402 E C 1.993 178.747 176.600 0.256 0.000 0.991 402 E CA 0.968 57.457 56.400 0.148 0.000 0.799 402 E CB -0.094 29.717 29.700 0.186 0.000 0.748 402 E HN 0.244 nan 8.360 nan 0.000 0.449 403 M N -0.016 119.669 119.600 0.141 0.000 2.117 403 M HA -0.142 4.340 4.480 0.005 0.000 0.262 403 M C 1.963 178.318 176.300 0.092 0.000 1.065 403 M CA 1.951 57.352 55.300 0.169 0.000 1.114 403 M CB -0.376 32.334 32.600 0.182 0.000 1.361 403 M HN 0.099 nan 8.290 nan 0.000 0.408 404 D N 0.120 120.367 120.400 -0.254 0.000 2.178 404 D HA -0.183 4.460 4.640 0.005 0.000 0.201 404 D C 1.668 178.016 176.300 0.080 0.000 0.980 404 D CA 1.008 54.910 54.000 -0.163 0.000 0.842 404 D CB 0.031 40.610 40.800 -0.368 0.000 0.948 404 D HN 0.280 nan 8.370 nan 0.000 0.472 405 F N -0.576 119.304 119.950 -0.117 0.000 2.074 405 F HA 0.006 4.535 4.527 0.004 0.000 0.293 405 F C 1.582 177.235 175.800 -0.245 0.000 1.116 405 F CA 1.336 59.190 58.000 -0.244 0.000 1.212 405 F CB -0.695 38.031 39.000 -0.457 0.000 0.998 405 F HN 0.014 nan 8.300 nan 0.000 0.471 406 W N 0.276 121.530 121.300 -0.077 0.000 2.355 406 W HA -0.052 4.611 4.660 0.005 0.000 0.309 406 W C 2.558 179.061 176.519 -0.027 0.000 1.206 406 W CA 1.633 58.907 57.345 -0.119 0.000 1.284 406 W CB -0.836 28.747 29.460 0.205 0.000 1.145 406 W HN 0.132 nan 8.180 nan 0.000 0.502 407 A N -0.271 122.679 122.820 0.217 0.000 1.871 407 A HA 0.184 4.507 4.320 0.005 0.000 0.211 407 A C 2.145 179.755 177.584 0.043 0.000 1.207 407 A CA 1.325 53.405 52.037 0.072 0.000 0.620 407 A CB -1.340 17.541 19.000 -0.199 0.000 0.860 407 A HN 0.237 nan 8.150 nan 0.000 0.450 408 G N -1.806 107.102 108.800 0.180 0.000 2.712 408 G HA2 0.215 4.178 3.960 0.005 0.000 0.212 408 G HA3 0.215 4.178 3.960 0.005 0.000 0.212 408 G C 1.150 176.187 174.900 0.228 0.000 1.142 408 G CA 1.583 46.893 45.100 0.349 0.000 0.789 408 G HN 0.443 nan 8.290 nan 0.000 0.535 409 T N 0.174 114.706 114.554 -0.035 0.000 3.330 409 T HA 0.181 4.534 4.350 0.005 0.000 0.240 409 T C 2.149 176.560 174.700 -0.482 0.000 0.988 409 T CA -0.100 61.925 62.100 -0.126 0.000 1.253 409 T CB 0.046 68.859 68.868 -0.091 0.000 1.163 409 T HN -0.054 nan 8.240 nan 0.000 0.382 410 I N 2.194 122.225 120.570 -0.900 0.000 2.252 410 I HA -0.002 4.171 4.170 0.005 0.000 0.245 410 I C 2.838 178.679 176.117 -0.460 0.000 1.102 410 I CA 1.594 62.297 61.300 -0.994 0.000 1.385 410 I CB -1.795 35.513 38.000 -1.153 0.000 1.064 410 I HN 0.390 nan 8.210 nan 0.000 0.414 411 G N 1.336 109.987 108.800 -0.247 0.000 2.440 411 G HA2 -0.190 3.772 3.960 0.005 0.000 0.218 411 G HA3 -0.190 3.772 3.960 0.005 0.000 0.218 411 G C 1.797 176.689 174.900 -0.013 0.000 1.154 411 G CA 1.521 46.623 45.100 0.003 0.000 0.767 411 G HN 0.392 nan 8.290 nan 0.000 0.552 412 V N -1.257 118.533 119.914 -0.207 0.000 2.548 412 V HA -0.047 4.076 4.120 0.005 0.000 0.249 412 V C 2.629 178.479 176.094 -0.407 0.000 1.055 412 V CA 1.516 63.647 62.300 -0.283 0.000 1.065 412 V CB -0.539 30.959 31.823 -0.541 0.000 0.681 412 V HN 0.140 nan 8.190 nan 0.000 0.462 413 V N 0.108 119.668 119.914 -0.589 0.000 2.379 413 V HA -0.126 3.997 4.120 0.005 0.000 0.245 413 V C 2.339 178.295 176.094 -0.230 0.000 1.044 413 V CA 2.314 64.170 62.300 -0.739 0.000 1.036 413 V CB -0.881 30.689 31.823 -0.421 0.000 0.664 413 V HN 0.613 nan 8.190 nan 0.000 0.453 414 F N 0.527 120.332 119.950 -0.243 0.000 2.095 414 F HA -0.244 4.286 4.527 0.004 0.000 0.298 414 F C 2.054 177.825 175.800 -0.048 0.000 1.104 414 F CA 1.903 59.814 58.000 -0.149 0.000 1.232 414 F CB -0.487 38.387 39.000 -0.210 0.000 0.987 414 F HN 0.179 nan 8.300 nan 0.000 0.475 415 F N 1.094 120.866 119.950 -0.297 0.000 2.259 415 F HA 0.122 4.652 4.527 0.004 0.000 0.298 415 F C 2.418 178.144 175.800 -0.123 0.000 1.088 415 F CA 1.300 59.134 58.000 -0.277 0.000 1.358 415 F CB -1.087 37.908 39.000 -0.007 0.000 1.040 415 F HN 0.025 nan 8.300 nan 0.000 0.505 416 G N 0.393 109.209 108.800 0.028 0.000 2.418 416 G HA2 -0.287 3.675 3.960 0.005 0.000 0.217 416 G HA3 -0.287 3.675 3.960 0.005 0.000 0.217 416 G C 1.626 176.490 174.900 -0.059 0.000 1.158 416 G CA 1.034 46.216 45.100 0.137 0.000 0.771 416 G HN 0.402 nan 8.290 nan 0.000 0.545 417 L N 0.877 122.026 121.223 -0.125 0.000 2.056 417 L HA 0.046 4.389 4.340 0.005 0.000 0.207 417 L C 2.854 179.502 176.870 -0.371 0.000 1.078 417 L CA 2.498 57.211 54.840 -0.211 0.000 0.749 417 L CB -0.972 40.988 42.059 -0.166 0.000 0.901 417 L HN 0.169 nan 8.230 nan 0.000 0.433 418 T N 0.276 114.524 114.554 -0.510 0.000 2.708 418 T HA -0.222 4.131 4.350 0.005 0.000 0.266 418 T C 1.611 175.979 174.700 -0.553 0.000 1.037 418 T CA 1.740 63.503 62.100 -0.561 0.000 1.146 418 T CB -0.294 68.166 68.868 -0.679 0.000 0.865 418 T HN 0.709 nan 8.240 nan 0.000 0.435 419 E N 1.104 120.971 120.200 -0.555 0.000 2.150 419 E HA -0.071 4.282 4.350 0.005 0.000 0.193 419 E C 2.335 178.778 176.600 -0.262 0.000 0.985 419 E CA 0.775 56.899 56.400 -0.459 0.000 0.814 419 E CB -0.534 28.983 29.700 -0.305 0.000 0.752 419 E HN 0.441 nan 8.360 nan 0.000 0.466 420 L N 0.737 121.816 121.223 -0.240 0.000 2.056 420 L HA -0.087 4.255 4.340 0.005 0.000 0.207 420 L C 2.497 179.192 176.870 -0.292 0.000 1.078 420 L CA 1.080 55.811 54.840 -0.180 0.000 0.749 420 L CB -0.080 41.833 42.059 -0.242 0.000 0.901 420 L HN 0.149 nan 8.230 nan 0.000 0.433 421 I N -0.253 120.031 120.570 -0.478 0.000 2.252 421 I HA -0.330 3.843 4.170 0.005 0.000 0.245 421 I C 2.333 178.292 176.117 -0.263 0.000 1.102 421 I CA 1.388 62.355 61.300 -0.555 0.000 1.385 421 I CB -0.211 37.481 38.000 -0.513 0.000 1.064 421 I HN 0.238 nan 8.210 nan 0.000 0.414 422 I N -0.312 120.079 120.570 -0.299 0.000 2.226 422 I HA -0.298 3.875 4.170 0.005 0.000 0.245 422 I C 2.436 178.546 176.117 -0.012 0.000 1.100 422 I CA 1.515 62.664 61.300 -0.252 0.000 1.374 422 I CB -0.316 37.389 38.000 -0.492 0.000 1.057 422 I HN 0.193 nan 8.210 nan 0.000 0.413 423 F N 0.415 120.283 119.950 -0.137 0.000 2.179 423 F HA -0.046 4.484 4.527 0.004 0.000 0.292 423 F C 1.985 177.855 175.800 0.118 0.000 1.089 423 F CA 1.255 59.249 58.000 -0.009 0.000 1.295 423 F CB -0.254 38.742 39.000 -0.007 0.000 1.041 423 F HN -0.135 nan 8.300 nan 0.000 0.487 424 F N -2.093 117.821 119.950 -0.061 0.000 2.714 424 F HA 0.042 4.572 4.527 0.005 0.000 0.294 424 F C 1.095 176.976 175.800 0.135 0.000 1.120 424 F CA 0.339 58.281 58.000 -0.098 0.000 1.398 424 F CB 0.019 38.956 39.000 -0.105 0.000 1.120 424 F HN -0.047 nan 8.300 nan 0.000 0.589 425 W N -0.774 120.473 121.300 -0.088 0.000 3.033 425 W HA 0.298 4.960 4.660 0.004 0.000 0.250 425 W C 1.959 178.360 176.519 -0.196 0.000 1.105 425 W CA 0.055 57.310 57.345 -0.150 0.000 1.655 425 W CB -0.761 28.616 29.460 -0.138 0.000 1.001 425 W HN -0.194 nan 8.180 nan 0.000 0.653 426 I N -1.091 119.491 120.570 0.021 0.000 2.385 426 I HA -0.160 4.013 4.170 0.005 0.000 0.244 426 I C 2.297 178.383 176.117 -0.053 0.000 1.089 426 I CA 0.923 62.140 61.300 -0.139 0.000 1.410 426 I CB -0.851 36.892 38.000 -0.427 0.000 1.117 426 I HN -0.230 nan 8.210 nan 0.000 0.429 427 F N 2.256 122.122 119.950 -0.140 0.000 2.095 427 F HA 0.042 4.572 4.527 0.004 0.000 0.298 427 F C 1.057 176.739 175.800 -0.197 0.000 1.104 427 F CA 1.411 59.333 58.000 -0.129 0.000 1.232 427 F CB -0.318 38.604 39.000 -0.130 0.000 0.987 427 F HN 0.123 nan 8.300 nan 0.000 0.475 428 G N -1.366 107.256 108.800 -0.296 0.000 2.873 428 G HA2 0.349 4.311 3.960 0.005 0.000 0.507 428 G HA3 0.349 4.311 3.960 0.005 0.000 0.507 428 G C 0.261 174.857 174.900 -0.507 0.000 1.440 428 G CA -0.404 44.459 45.100 -0.395 0.000 1.016 428 G HN 0.614 nan 8.290 nan 0.000 0.615 429 A N 1.447 123.988 122.820 -0.464 0.000 1.917 429 A HA -0.037 4.286 4.320 0.005 0.000 0.219 429 A C 1.986 179.241 177.584 -0.549 0.000 1.182 429 A CA 2.561 54.133 52.037 -0.775 0.000 0.633 429 A CB -0.249 18.504 19.000 -0.411 0.000 0.819 429 A HN 0.683 nan 8.150 nan 0.000 0.448 430 D N -0.456 119.797 120.400 -0.245 0.000 2.162 430 D HA -0.070 4.573 4.640 0.005 0.000 0.203 430 D C 1.897 178.121 176.300 -0.126 0.000 0.967 430 D CA 1.232 55.177 54.000 -0.091 0.000 0.840 430 D CB -0.228 40.518 40.800 -0.090 0.000 0.972 430 D HN 0.541 nan 8.370 nan 0.000 0.482 431 K N 1.192 121.419 120.400 -0.288 0.000 2.057 431 K HA -0.009 4.314 4.320 0.005 0.000 0.206 431 K C 2.232 178.723 176.600 -0.182 0.000 1.050 431 K CA 1.005 57.116 56.287 -0.294 0.000 0.935 431 K CB -0.027 32.066 32.500 -0.678 0.000 0.715 431 K HN -0.022 nan 8.250 nan 0.000 0.439 432 A N 1.857 124.416 122.820 -0.436 0.000 1.883 432 A HA -0.201 4.121 4.320 0.005 0.000 0.217 432 A C 1.963 179.428 177.584 -0.198 0.000 1.186 432 A CA 1.221 52.819 52.037 -0.732 0.000 0.624 432 A CB -1.073 16.960 19.000 -1.611 0.000 0.822 432 A HN 0.615 nan 8.150 nan 0.000 0.444 433 W N 0.794 121.897 121.300 -0.329 0.000 2.335 433 W HA -0.248 4.415 4.660 0.004 0.000 0.311 433 W C 1.980 178.504 176.519 0.008 0.000 1.213 433 W CA 2.378 59.720 57.345 -0.004 0.000 1.274 433 W CB -0.154 29.368 29.460 0.104 0.000 1.148 433 W HN 0.524 nan 8.180 nan 0.000 0.498 434 E N 0.941 121.184 120.200 0.073 0.000 2.058 434 E HA -0.301 4.052 4.350 0.005 0.000 0.194 434 E C 1.881 178.474 176.600 -0.010 0.000 0.997 434 E CA 2.185 58.582 56.400 -0.005 0.000 0.801 434 E CB -0.542 29.180 29.700 0.038 0.000 0.746 434 E HN 0.143 nan 8.360 nan 0.000 0.450 435 E N 0.176 120.423 120.200 0.078 0.000 2.077 435 E HA -0.120 4.233 4.350 0.005 0.000 0.193 435 E C 1.982 178.653 176.600 0.117 0.000 0.989 435 E CA 1.438 57.936 56.400 0.164 0.000 0.800 435 E CB -0.346 29.534 29.700 0.300 0.000 0.746 435 E HN 0.463 nan 8.360 nan 0.000 0.452 436 I N 0.720 121.337 120.570 0.079 0.000 2.179 436 I HA -0.261 3.912 4.170 0.005 0.000 0.242 436 I C 1.826 177.809 176.117 -0.222 0.000 1.088 436 I CA 1.159 62.441 61.300 -0.031 0.000 1.357 436 I CB -0.315 37.634 38.000 -0.086 0.000 1.051 436 I HN 0.138 nan 8.210 nan 0.000 0.409 437 N N 0.752 119.242 118.700 -0.349 0.000 2.463 437 N HA -0.038 4.704 4.740 0.005 0.000 0.181 437 N C 0.798 176.187 175.510 -0.202 0.000 1.078 437 N CA 0.130 52.949 53.050 -0.385 0.000 0.902 437 N CB -0.017 38.146 38.487 -0.540 0.000 0.970 437 N HN 0.282 nan 8.380 nan 0.000 0.451 438 R N 0.531 120.966 120.500 -0.108 0.000 2.484 438 R HA 0.101 4.444 4.340 0.005 0.000 0.293 438 R C 0.881 177.162 176.300 -0.033 0.000 1.023 438 R CA 0.924 56.999 56.100 -0.042 0.000 1.037 438 R CB 0.004 30.316 30.300 0.019 0.000 0.951 438 R HN 0.261 nan 8.270 nan 0.000 0.418 439 G N 2.647 111.428 108.800 -0.032 0.000 2.168 439 G HA2 -0.271 3.692 3.960 0.005 0.000 0.263 439 G HA3 -0.271 3.692 3.960 0.005 0.000 0.263 439 G C 0.393 175.267 174.900 -0.044 0.000 0.977 439 G CA 0.057 45.144 45.100 -0.023 0.000 0.659 439 G HN 0.942 nan 8.290 nan 0.000 0.533 440 G N -0.568 108.181 108.800 -0.085 0.000 2.380 440 G HA2 0.460 4.422 3.960 0.005 0.000 0.242 440 G HA3 0.460 4.422 3.960 0.005 0.000 0.242 440 G C 1.173 176.020 174.900 -0.088 0.000 1.298 440 G CA 0.005 45.036 45.100 -0.116 0.000 0.878 440 G HN 0.406 nan 8.290 nan 0.000 0.542 441 I N 1.579 122.103 120.570 -0.078 0.000 2.439 441 I HA 0.029 4.202 4.170 0.005 0.000 0.251 441 I C 1.202 177.282 176.117 -0.061 0.000 1.139 441 I CA 0.964 62.231 61.300 -0.056 0.000 1.438 441 I CB -0.201 37.773 38.000 -0.044 0.000 1.085 441 I HN 0.515 nan 8.210 nan 0.000 0.427 442 I N -2.919 117.598 120.570 -0.088 0.000 3.002 442 I HA 0.452 4.625 4.170 0.005 0.000 0.310 442 I C -0.645 175.375 176.117 -0.161 0.000 1.087 442 I CA -1.027 60.218 61.300 -0.091 0.000 1.017 442 I CB 1.756 39.718 38.000 -0.063 0.000 1.226 442 I HN -0.235 nan 8.210 nan 0.000 0.443 443 K N 1.962 122.271 120.400 -0.152 0.000 2.098 443 K HA 0.532 4.854 4.320 0.005 0.000 0.258 443 K C -0.867 175.558 176.600 -0.293 0.000 0.973 443 K CA -0.868 55.281 56.287 -0.231 0.000 0.898 443 K CB 2.377 34.801 32.500 -0.127 0.000 1.057 443 K HN 0.409 nan 8.250 nan 0.000 0.447 444 V N 4.124 123.724 119.914 -0.522 0.000 2.585 444 V HA 0.028 4.151 4.120 0.005 0.000 0.296 444 V C -2.048 174.064 176.094 0.031 0.000 1.035 444 V CA -1.324 60.651 62.300 -0.542 0.000 1.084 444 V CB 0.228 31.501 31.823 -0.916 0.000 0.953 444 V HN 0.658 nan 8.190 nan 0.000 0.483 445 P HA 0.037 nan 4.420 nan 0.000 0.262 445 P C 0.821 178.394 177.300 0.455 0.000 1.182 445 P CA 0.109 63.401 63.100 0.321 0.000 0.761 445 P CB 0.378 32.300 31.700 0.370 0.000 0.795 446 R N 3.014 123.722 120.500 0.346 0.000 2.139 446 R HA -0.193 4.150 4.340 0.005 0.000 0.243 446 R C 1.746 178.197 176.300 0.252 0.000 1.145 446 R CA 1.334 57.604 56.100 0.285 0.000 0.976 446 R CB -0.523 29.884 30.300 0.178 0.000 0.866 446 R HN 0.383 nan 8.270 nan 0.000 0.449 447 I N 0.316 121.026 120.570 0.232 0.000 2.454 447 I HA -0.247 3.926 4.170 0.005 0.000 0.254 447 I C 1.181 177.408 176.117 0.184 0.000 1.156 447 I CA 1.382 62.795 61.300 0.189 0.000 1.433 447 I CB -0.253 37.752 38.000 0.009 0.000 1.082 447 I HN 0.196 nan 8.210 nan 0.000 0.432 448 Y N -1.543 118.918 120.300 0.268 0.000 2.497 448 Y HA -0.265 4.288 4.550 0.004 0.000 0.292 448 Y C 2.246 178.242 175.900 0.161 0.000 1.137 448 Y CA 1.427 59.684 58.100 0.263 0.000 1.285 448 Y CB -0.404 38.293 38.460 0.395 0.000 0.991 448 Y HN 0.331 nan 8.280 nan 0.000 0.556 449 Y N -0.842 119.399 120.300 -0.099 0.000 2.200 449 Y HA -0.334 4.219 4.550 0.004 0.000 0.290 449 Y C 1.533 177.218 175.900 -0.358 0.000 1.137 449 Y CA 1.609 59.383 58.100 -0.542 0.000 1.163 449 Y CB -0.619 37.018 38.460 -1.372 0.000 0.988 449 Y HN 0.109 nan 8.280 nan 0.000 0.518 450 Y N -1.284 119.102 120.300 0.143 0.000 2.314 450 Y HA -0.139 4.413 4.550 0.004 0.000 0.293 450 Y C 2.468 178.438 175.900 0.117 0.000 1.129 450 Y CA 1.236 59.465 58.100 0.214 0.000 1.201 450 Y CB -0.793 37.809 38.460 0.237 0.000 0.999 450 Y HN -0.038 nan 8.280 nan 0.000 0.541 451 V N 0.096 120.110 119.914 0.166 0.000 2.261 451 V HA -0.361 3.761 4.120 0.005 0.000 0.246 451 V C 2.236 178.313 176.094 -0.028 0.000 1.047 451 V CA 2.133 64.482 62.300 0.083 0.000 1.015 451 V CB -0.654 31.214 31.823 0.076 0.000 0.642 451 V HN 0.419 nan 8.190 nan 0.000 0.446 452 M N -0.681 118.817 119.600 -0.169 0.000 2.108 452 M HA -0.211 4.271 4.480 0.005 0.000 0.261 452 M C 2.453 178.389 176.300 -0.608 0.000 1.066 452 M CA 1.984 56.970 55.300 -0.523 0.000 1.107 452 M CB -0.489 31.489 32.600 -1.036 0.000 1.356 452 M HN 0.177 nan 8.290 nan 0.000 0.406 453 R N -0.737 119.416 120.500 -0.578 0.000 2.093 453 R HA -0.117 4.225 4.340 0.005 0.000 0.224 453 R C 1.216 177.340 176.300 -0.294 0.000 1.101 453 R CA 1.500 57.336 56.100 -0.440 0.000 0.979 453 R CB 0.228 29.991 30.300 -0.895 0.000 0.877 453 R HN 0.360 nan 8.270 nan 0.000 0.441 454 Y N -1.627 118.746 120.300 0.122 0.000 2.736 454 Y HA 0.179 4.732 4.550 0.004 0.000 0.272 454 Y C 1.871 177.853 175.900 0.136 0.000 1.118 454 Y CA -0.366 57.838 58.100 0.173 0.000 1.248 454 Y CB 0.163 38.703 38.460 0.134 0.000 1.437 454 Y HN -0.123 nan 8.280 nan 0.000 0.481 455 I N 0.024 120.733 120.570 0.231 0.000 2.206 455 I HA -0.160 4.013 4.170 0.005 0.000 0.239 455 I C 2.009 178.200 176.117 0.124 0.000 1.078 455 I CA 1.545 62.937 61.300 0.153 0.000 1.367 455 I CB -1.562 36.487 38.000 0.082 0.000 1.078 455 I HN 0.181 nan 8.210 nan 0.000 0.413 456 T N 2.995 117.575 114.554 0.044 0.000 2.624 456 T HA -0.108 4.245 4.350 0.005 0.000 0.268 456 T C -0.378 174.376 174.700 0.090 0.000 1.041 456 T CA 2.051 64.169 62.100 0.031 0.000 1.159 456 T CB -1.601 67.233 68.868 -0.057 0.000 0.863 456 T HN 0.297 nan 8.240 nan 0.000 0.434 457 P HA 0.024 nan 4.420 nan 0.000 0.217 457 P C 1.461 178.805 177.300 0.074 0.000 1.150 457 P CA 1.373 64.438 63.100 -0.058 0.000 0.832 457 P CB -0.181 31.360 31.700 -0.265 0.000 0.787 458 A N -0.275 122.643 122.820 0.163 0.000 1.877 458 A HA -0.180 4.142 4.320 0.005 0.000 0.216 458 A C 2.181 179.860 177.584 0.158 0.000 1.186 458 A CA 1.267 53.406 52.037 0.170 0.000 0.620 458 A CB -1.873 17.239 19.000 0.185 0.000 0.822 458 A HN 0.073 nan 8.150 nan 0.000 0.443 459 F N 0.725 120.696 119.950 0.035 0.000 2.063 459 F HA -0.245 4.284 4.527 0.004 0.000 0.298 459 F C 2.062 177.894 175.800 0.054 0.000 1.109 459 F CA 2.158 60.171 58.000 0.021 0.000 1.212 459 F CB -0.289 38.727 39.000 0.027 0.000 0.973 459 F HN 0.152 nan 8.300 nan 0.000 0.480 460 L N -0.655 120.721 121.223 0.255 0.000 2.056 460 L HA -0.187 4.156 4.340 0.005 0.000 0.207 460 L C 2.764 179.687 176.870 0.088 0.000 1.078 460 L CA 1.074 56.022 54.840 0.180 0.000 0.749 460 L CB -1.313 40.867 42.059 0.201 0.000 0.901 460 L HN 0.240 nan 8.230 nan 0.000 0.433 461 A N 0.008 122.870 122.820 0.070 0.000 1.883 461 A HA -0.160 4.162 4.320 0.005 0.000 0.217 461 A C 2.344 179.960 177.584 0.054 0.000 1.186 461 A CA 1.924 54.001 52.037 0.066 0.000 0.624 461 A CB -0.872 18.171 19.000 0.072 0.000 0.822 461 A HN 0.192 nan 8.150 nan 0.000 0.444 462 V N -0.355 119.565 119.914 0.009 0.000 2.295 462 V HA -0.250 3.872 4.120 0.005 0.000 0.246 462 V C 2.503 178.576 176.094 -0.036 0.000 1.049 462 V CA 1.986 64.267 62.300 -0.031 0.000 1.024 462 V CB -0.869 30.891 31.823 -0.105 0.000 0.648 462 V HN 0.583 nan 8.190 nan 0.000 0.447 463 L N -0.512 120.661 121.223 -0.083 0.000 2.012 463 L HA -0.176 4.166 4.340 0.005 0.000 0.210 463 L C 2.236 179.206 176.870 0.167 0.000 1.073 463 L CA 1.912 56.731 54.840 -0.035 0.000 0.748 463 L CB -0.387 41.639 42.059 -0.056 0.000 0.891 463 L HN 0.200 nan 8.230 nan 0.000 0.431 464 L N -1.847 119.498 121.223 0.205 0.000 2.083 464 L HA -0.202 4.141 4.340 0.005 0.000 0.209 464 L C 2.346 179.364 176.870 0.246 0.000 1.083 464 L CA 0.828 55.833 54.840 0.275 0.000 0.752 464 L CB -0.455 41.713 42.059 0.183 0.000 0.899 464 L HN 0.134 nan 8.230 nan 0.000 0.433 465 V N -1.021 118.992 119.914 0.166 0.000 2.307 465 V HA -0.233 3.889 4.120 0.005 0.000 0.245 465 V C 2.374 178.567 176.094 0.165 0.000 1.045 465 V CA 1.434 63.819 62.300 0.142 0.000 1.024 465 V CB -0.197 31.681 31.823 0.092 0.000 0.651 465 V HN 0.182 nan 8.190 nan 0.000 0.449 466 V N -1.296 118.710 119.914 0.152 0.000 2.407 466 V HA -0.257 3.866 4.120 0.005 0.000 0.248 466 V C 2.162 178.443 176.094 0.312 0.000 1.055 466 V CA 1.894 64.291 62.300 0.161 0.000 1.049 466 V CB -0.638 31.245 31.823 0.099 0.000 0.662 466 V HN 0.689 nan 8.190 nan 0.000 0.455 467 W N 0.697 122.112 121.300 0.191 0.000 2.355 467 W HA -0.166 4.498 4.660 0.006 0.000 0.309 467 W C 2.596 179.251 176.519 0.226 0.000 1.206 467 W CA 2.048 59.544 57.345 0.253 0.000 1.284 467 W CB -0.753 28.781 29.460 0.123 0.000 1.145 467 W HN 0.290 nan 8.180 nan 0.000 0.502 468 A N 0.122 123.185 122.820 0.406 0.000 1.969 468 A HA -0.151 4.172 4.320 0.005 0.000 0.218 468 A C 2.119 179.823 177.584 0.200 0.000 1.169 468 A CA 1.500 53.690 52.037 0.254 0.000 0.635 468 A CB -0.541 18.564 19.000 0.175 0.000 0.810 468 A HN 0.305 nan 8.150 nan 0.000 0.445 469 R N -0.839 119.764 120.500 0.172 0.000 2.080 469 R HA 0.036 4.379 4.340 0.005 0.000 0.222 469 R C 0.988 177.301 176.300 0.022 0.000 1.107 469 R CA 1.131 57.284 56.100 0.088 0.000 0.980 469 R CB 0.009 30.346 30.300 0.063 0.000 0.879 469 R HN 0.367 nan 8.270 nan 0.000 0.439 470 E N -0.946 119.232 120.200 -0.035 0.000 2.501 470 E HA 0.061 4.414 4.350 0.005 0.000 0.201 470 E C 0.151 176.362 176.600 -0.647 0.000 1.016 470 E CA 0.374 56.556 56.400 -0.363 0.000 0.920 470 E CB 0.763 30.136 29.700 -0.545 0.000 1.023 470 E HN 0.383 nan 8.360 nan 0.000 0.474 471 Y N -1.446 118.939 120.300 0.142 0.000 2.589 471 Y HA 0.262 4.815 4.550 0.004 0.000 0.274 471 Y C 1.877 177.857 175.900 0.133 0.000 1.177 471 Y CA -0.310 57.883 58.100 0.155 0.000 1.123 471 Y CB 0.275 38.881 38.460 0.243 0.000 1.330 471 Y HN -0.123 nan 8.280 nan 0.000 0.518 472 I N 2.266 123.029 120.570 0.322 0.000 2.546 472 I HA -0.102 4.071 4.170 0.005 0.000 0.255 472 I C -0.809 175.382 176.117 0.122 0.000 1.163 472 I CA 0.458 61.873 61.300 0.190 0.000 1.457 472 I CB -1.130 37.010 38.000 0.233 0.000 1.092 472 I HN 0.110 nan 8.210 nan 0.000 0.434 473 P HA -0.209 nan 4.420 nan 0.000 0.216 473 P C 1.351 178.691 177.300 0.066 0.000 1.153 473 P CA 1.636 64.789 63.100 0.089 0.000 0.858 473 P CB -0.117 31.622 31.700 0.064 0.000 0.789 474 K N -0.460 119.968 120.400 0.046 0.000 2.097 474 K HA -0.062 4.261 4.320 0.005 0.000 0.206 474 K C 2.301 178.898 176.600 -0.005 0.000 1.049 474 K CA 1.158 57.460 56.287 0.025 0.000 0.933 474 K CB -0.470 32.044 32.500 0.023 0.000 0.717 474 K HN 0.196 nan 8.250 nan 0.000 0.442 475 I N 0.649 121.186 120.570 -0.055 0.000 2.546 475 I HA -0.203 3.970 4.170 0.005 0.000 0.255 475 I C 2.112 178.198 176.117 -0.051 0.000 1.163 475 I CA 0.710 61.913 61.300 -0.162 0.000 1.457 475 I CB -0.090 37.629 38.000 -0.469 0.000 1.092 475 I HN 0.168 nan 8.210 nan 0.000 0.434 476 M N -0.475 119.154 119.600 0.049 0.000 2.388 476 M HA -0.061 4.421 4.480 0.005 0.000 0.265 476 M C 1.944 178.333 176.300 0.149 0.000 1.088 476 M CA 1.376 56.753 55.300 0.128 0.000 1.134 476 M CB -0.682 32.033 32.600 0.192 0.000 1.384 476 M HN 0.277 nan 8.290 nan 0.000 0.447 477 E N -0.249 120.017 120.200 0.110 0.000 2.453 477 E HA -0.010 4.343 4.350 0.005 0.000 0.211 477 E C 0.636 177.293 176.600 0.095 0.000 0.897 477 E CA 0.104 56.575 56.400 0.119 0.000 1.063 477 E CB 0.837 30.596 29.700 0.100 0.000 1.080 477 E HN 0.183 nan 8.360 nan 0.000 0.512 478 E N 1.324 121.562 120.200 0.064 0.000 2.451 478 E HA 0.070 4.423 4.350 0.005 0.000 0.194 478 E C -0.074 176.556 176.600 0.051 0.000 1.027 478 E CA 0.170 56.602 56.400 0.053 0.000 0.914 478 E CB 1.109 30.829 29.700 0.033 0.000 1.054 478 E HN 0.207 nan 8.360 nan 0.000 0.461 479 T N -2.006 112.584 114.554 0.060 0.000 2.943 479 T HA 0.229 4.582 4.350 0.005 0.000 0.284 479 T C 0.309 175.083 174.700 0.122 0.000 1.015 479 T CA -0.734 61.401 62.100 0.059 0.000 1.042 479 T CB 1.975 70.843 68.868 0.000 0.000 1.055 479 T HN 0.068 nan 8.240 nan 0.000 0.500 480 H N 1.752 120.831 119.070 0.015 0.000 2.871 480 H HA -0.037 4.521 4.556 0.005 0.000 0.355 480 H C 1.222 176.584 175.328 0.057 0.000 1.092 480 H CA 0.142 56.198 56.048 0.013 0.000 1.420 480 H CB 0.511 30.209 29.762 -0.107 0.000 1.400 480 H HN 0.954 nan 8.280 nan 0.000 0.604 481 W N 4.151 125.274 121.300 -0.294 0.000 2.364 481 W HA -0.187 4.476 4.660 0.005 0.000 0.281 481 W C 1.215 177.855 176.519 0.202 0.000 1.219 481 W CA 1.347 58.704 57.345 0.021 0.000 1.220 481 W CB -1.241 28.166 29.460 -0.089 0.000 1.127 481 W HN 0.573 nan 8.180 nan 0.000 0.556 482 T N 0.367 114.573 114.554 -0.581 0.000 3.025 482 T HA -0.172 4.181 4.350 0.005 0.000 0.270 482 T C 1.914 176.579 174.700 -0.058 0.000 1.126 482 T CA 1.711 63.510 62.100 -0.502 0.000 1.105 482 T CB -1.058 67.456 68.868 -0.590 0.000 0.884 482 T HN 0.220 nan 8.240 nan 0.000 0.522 483 V N -2.667 117.247 119.914 0.001 0.000 2.594 483 V HA -0.028 4.095 4.120 0.005 0.000 0.253 483 V C 2.124 178.211 176.094 -0.011 0.000 1.069 483 V CA 0.720 63.003 62.300 -0.029 0.000 1.082 483 V CB -1.463 30.292 31.823 -0.114 0.000 0.680 483 V HN 0.633 nan 8.190 nan 0.000 0.469 484 W N 0.186 121.594 121.300 0.180 0.000 2.595 484 W HA 0.220 4.883 4.660 0.005 0.000 0.257 484 W C 2.240 178.906 176.519 0.245 0.000 1.267 484 W CA 0.706 58.177 57.345 0.210 0.000 1.300 484 W CB -0.312 29.273 29.460 0.209 0.000 1.120 484 W HN 0.219 nan 8.180 nan 0.000 0.618 485 I N -0.476 120.332 120.570 0.397 0.000 2.202 485 I HA -0.282 3.891 4.170 0.005 0.000 0.242 485 I C 2.243 178.580 176.117 0.367 0.000 1.091 485 I CA 1.456 62.970 61.300 0.355 0.000 1.368 485 I CB -0.963 37.169 38.000 0.220 0.000 1.058 485 I HN -0.157 nan 8.210 nan 0.000 0.410 486 T N 0.387 115.096 114.554 0.260 0.000 2.812 486 T HA -0.093 4.260 4.350 0.005 0.000 0.264 486 T C 2.029 176.904 174.700 0.290 0.000 1.042 486 T CA 1.077 63.332 62.100 0.259 0.000 1.140 486 T CB -0.187 68.792 68.868 0.184 0.000 0.870 486 T HN 0.271 nan 8.240 nan 0.000 0.445 487 R N 0.102 120.736 120.500 0.223 0.000 2.081 487 R HA -0.029 4.314 4.340 0.005 0.000 0.235 487 R C 2.189 178.642 176.300 0.255 0.000 1.131 487 R CA 1.352 57.529 56.100 0.129 0.000 0.960 487 R CB -0.545 29.715 30.300 -0.066 0.000 0.856 487 R HN 0.343 nan 8.270 nan 0.000 0.436 488 F N 0.598 120.698 119.950 0.251 0.000 2.069 488 F HA -0.291 4.238 4.527 0.004 0.000 0.298 488 F C 2.202 178.132 175.800 0.217 0.000 1.113 488 F CA 1.458 59.598 58.000 0.233 0.000 1.214 488 F CB -0.690 38.465 39.000 0.258 0.000 0.978 488 F HN -0.035 nan 8.300 nan 0.000 0.474 489 Y N 1.527 121.897 120.300 0.117 0.000 2.128 489 Y HA -0.245 4.308 4.550 0.004 0.000 0.284 489 Y C 2.321 178.257 175.900 0.059 0.000 1.154 489 Y CA 2.507 60.617 58.100 0.017 0.000 1.149 489 Y CB -0.683 37.859 38.460 0.135 0.000 0.976 489 Y HN 0.300 nan 8.280 nan 0.000 0.505 490 I N -2.494 118.178 120.570 0.170 0.000 2.617 490 I HA -0.117 4.056 4.170 0.005 0.000 0.256 490 I C 1.998 178.307 176.117 0.321 0.000 1.167 490 I CA 1.210 62.677 61.300 0.278 0.000 1.469 490 I CB -0.637 37.635 38.000 0.452 0.000 1.098 490 I HN 0.162 nan 8.210 nan 0.000 0.436 491 I N 2.488 123.101 120.570 0.071 0.000 2.226 491 I HA -0.149 4.024 4.170 0.005 0.000 0.245 491 I C 2.811 178.868 176.117 -0.101 0.000 1.100 491 I CA 1.644 62.899 61.300 -0.074 0.000 1.374 491 I CB -0.793 37.141 38.000 -0.110 0.000 1.057 491 I HN 0.357 nan 8.210 nan 0.000 0.413 492 G N 0.969 109.618 108.800 -0.252 0.000 2.422 492 G HA2 -0.266 3.697 3.960 0.005 0.000 0.218 492 G HA3 -0.266 3.697 3.960 0.005 0.000 0.218 492 G C 1.655 176.472 174.900 -0.139 0.000 1.146 492 G CA 0.571 45.499 45.100 -0.288 0.000 0.769 492 G HN 0.266 nan 8.290 nan 0.000 0.547 493 L N -0.480 120.666 121.223 -0.128 0.000 2.083 493 L HA 0.149 4.491 4.340 0.005 0.000 0.209 493 L C 2.414 179.431 176.870 0.245 0.000 1.083 493 L CA 1.505 56.395 54.840 0.084 0.000 0.752 493 L CB -0.546 41.582 42.059 0.115 0.000 0.899 493 L HN 0.232 nan 8.230 nan 0.000 0.433 494 F N -0.887 119.068 119.950 0.009 0.000 2.134 494 F HA -0.222 4.307 4.527 0.004 0.000 0.299 494 F C 2.162 177.835 175.800 -0.213 0.000 1.097 494 F CA 1.657 59.482 58.000 -0.291 0.000 1.264 494 F CB -0.121 38.406 39.000 -0.789 0.000 1.001 494 F HN 0.193 nan 8.300 nan 0.000 0.479 495 L N -0.363 120.902 121.223 0.069 0.000 2.093 495 L HA -0.149 4.194 4.340 0.005 0.000 0.208 495 L C 2.119 179.000 176.870 0.019 0.000 1.085 495 L CA 1.709 56.565 54.840 0.026 0.000 0.755 495 L CB -1.248 40.814 42.059 0.005 0.000 0.904 495 L HN 0.284 nan 8.230 nan 0.000 0.435 496 F N -0.325 119.574 119.950 -0.086 0.000 2.146 496 F HA -0.168 4.361 4.527 0.004 0.000 0.298 496 F C 1.916 177.693 175.800 -0.039 0.000 1.096 496 F CA 1.745 59.724 58.000 -0.035 0.000 1.275 496 F CB -0.404 38.564 39.000 -0.053 0.000 1.008 496 F HN 0.053 nan 8.300 nan 0.000 0.480 497 L N 0.201 121.177 121.223 -0.412 0.000 2.141 497 L HA -0.163 4.180 4.340 0.005 0.000 0.209 497 L C 2.666 179.200 176.870 -0.560 0.000 1.094 497 L CA 1.645 56.110 54.840 -0.626 0.000 0.763 497 L CB -1.195 40.556 42.059 -0.513 0.000 0.908 497 L HN 0.378 nan 8.230 nan 0.000 0.437 498 T N -2.678 111.597 114.554 -0.464 0.000 2.821 498 T HA -0.234 4.119 4.350 0.005 0.000 0.267 498 T C 1.764 176.391 174.700 -0.121 0.000 1.046 498 T CA 0.848 62.756 62.100 -0.320 0.000 1.139 498 T CB -0.620 68.114 68.868 -0.224 0.000 0.871 498 T HN 0.207 nan 8.240 nan 0.000 0.454 499 F N 2.132 121.945 119.950 -0.229 0.000 2.134 499 F HA 0.155 4.684 4.527 0.004 0.000 0.299 499 F C 1.982 177.733 175.800 -0.082 0.000 1.097 499 F CA 0.700 58.620 58.000 -0.134 0.000 1.264 499 F CB -0.486 38.431 39.000 -0.137 0.000 1.001 499 F HN 0.094 nan 8.300 nan 0.000 0.479 500 L N -0.896 120.122 121.223 -0.342 0.000 2.083 500 L HA -0.206 4.136 4.340 0.005 0.000 0.209 500 L C 2.366 179.193 176.870 -0.072 0.000 1.083 500 L CA 0.963 55.623 54.840 -0.299 0.000 0.752 500 L CB -0.892 40.975 42.059 -0.319 0.000 0.899 500 L HN 0.012 nan 8.230 nan 0.000 0.433 501 V N -0.373 119.477 119.914 -0.107 0.000 2.427 501 V HA -0.302 3.821 4.120 0.005 0.000 0.248 501 V C 2.219 178.275 176.094 -0.062 0.000 1.051 501 V CA 1.770 64.060 62.300 -0.016 0.000 1.048 501 V CB -0.557 31.182 31.823 -0.141 0.000 0.666 501 V HN 0.367 nan 8.190 nan 0.000 0.456 502 F N 0.342 120.156 119.950 -0.227 0.000 2.134 502 F HA -0.163 4.366 4.527 0.004 0.000 0.299 502 F C 2.015 177.648 175.800 -0.279 0.000 1.097 502 F CA 1.663 59.528 58.000 -0.224 0.000 1.264 502 F CB -0.146 38.740 39.000 -0.190 0.000 1.001 502 F HN 0.032 nan 8.300 nan 0.000 0.479 503 L N -0.035 120.986 121.223 -0.336 0.000 2.141 503 L HA -0.161 4.181 4.340 0.005 0.000 0.209 503 L C 2.791 179.464 176.870 -0.329 0.000 1.094 503 L CA 1.033 55.633 54.840 -0.401 0.000 0.763 503 L CB -1.147 40.661 42.059 -0.419 0.000 0.908 503 L HN 0.285 nan 8.230 nan 0.000 0.437 504 A N 0.826 123.495 122.820 -0.251 0.000 1.930 504 A HA -0.198 4.125 4.320 0.005 0.000 0.217 504 A C 2.157 179.602 177.584 -0.230 0.000 1.175 504 A CA 1.533 53.436 52.037 -0.223 0.000 0.627 504 A CB -0.373 18.521 19.000 -0.176 0.000 0.815 504 A HN 0.623 nan 8.150 nan 0.000 0.443 505 E N -0.981 119.052 120.200 -0.279 0.000 2.152 505 E HA -0.143 4.210 4.350 0.005 0.000 0.192 505 E C 1.897 178.311 176.600 -0.310 0.000 0.983 505 E CA 0.543 56.769 56.400 -0.291 0.000 0.818 505 E CB -0.228 29.282 29.700 -0.317 0.000 0.758 505 E HN 0.245 nan 8.360 nan 0.000 0.467 506 R N 1.091 121.337 120.500 -0.423 0.000 2.092 506 R HA 0.000 4.343 4.340 0.005 0.000 0.231 506 R C 2.293 178.477 176.300 -0.192 0.000 1.119 506 R CA 1.196 57.085 56.100 -0.352 0.000 0.970 506 R CB -0.756 29.268 30.300 -0.461 0.000 0.864 506 R HN 0.272 nan 8.270 nan 0.000 0.440 507 R N 0.768 121.152 120.500 -0.193 0.000 2.075 507 R HA -0.058 4.285 4.340 0.005 0.000 0.232 507 R C 2.258 178.519 176.300 -0.064 0.000 1.126 507 R CA 1.361 57.387 56.100 -0.123 0.000 0.963 507 R CB -0.124 30.085 30.300 -0.152 0.000 0.858 507 R HN 0.077 nan 8.270 nan 0.000 0.435 508 R N 0.418 120.860 120.500 -0.097 0.000 2.096 508 R HA -0.097 4.245 4.340 0.005 0.000 0.235 508 R C 1.701 177.972 176.300 -0.049 0.000 1.127 508 R CA 2.004 58.064 56.100 -0.066 0.000 0.968 508 R CB -0.227 30.023 30.300 -0.083 0.000 0.861 508 R HN 0.429 nan 8.270 nan 0.000 0.440 509 N N -0.680 117.980 118.700 -0.067 0.000 2.084 509 N HA -0.223 4.519 4.740 0.005 0.000 0.190 509 N C 1.879 177.377 175.510 -0.020 0.000 1.030 509 N CA 1.043 54.062 53.050 -0.052 0.000 0.849 509 N CB -0.282 38.160 38.487 -0.076 0.000 1.012 509 N HN 0.307 nan 8.380 nan 0.000 0.423 510 H N 1.379 120.398 119.070 -0.086 0.000 2.423 510 H HA -0.045 4.514 4.556 0.005 0.000 0.297 510 H C 1.788 177.083 175.328 -0.055 0.000 1.075 510 H CA 1.234 57.242 56.048 -0.066 0.000 1.342 510 H CB 0.263 29.982 29.762 -0.071 0.000 1.395 510 H HN 0.348 nan 8.280 nan 0.000 0.530 511 E N -0.033 120.200 120.200 0.055 0.000 2.072 511 E HA -0.081 4.271 4.350 0.005 0.000 0.190 511 E C 2.178 178.747 176.600 -0.050 0.000 0.982 511 E CA 0.855 57.264 56.400 0.015 0.000 0.803 511 E CB 0.254 29.964 29.700 0.017 0.000 0.755 511 E HN 0.308 nan 8.360 nan 0.000 0.453 512 S N 0.256 115.926 115.700 -0.049 0.000 2.423 512 S HA -0.065 4.408 4.470 0.005 0.000 0.231 512 S C 1.850 176.407 174.600 -0.071 0.000 1.014 512 S CA 0.771 58.942 58.200 -0.047 0.000 0.965 512 S CB 0.056 63.237 63.200 -0.031 0.000 0.785 512 S HN 0.411 nan 8.310 nan 0.000 0.495 513 A N 0.979 123.731 122.820 -0.114 0.000 2.067 513 A HA 0.262 4.584 4.320 0.005 0.000 0.217 513 A C 2.042 179.531 177.584 -0.158 0.000 1.156 513 A CA 1.167 53.122 52.037 -0.137 0.000 0.683 513 A CB -0.611 18.285 19.000 -0.173 0.000 0.808 513 A HN 0.498 nan 8.150 nan 0.000 0.455 514 G N -0.910 107.781 108.800 -0.182 0.000 3.042 514 G HA2 0.320 4.282 3.960 0.005 0.000 0.212 514 G HA3 0.320 4.282 3.960 0.005 0.000 0.212 514 G C 0.742 175.596 174.900 -0.078 0.000 1.166 514 G CA 1.032 46.045 45.100 -0.144 0.000 0.767 514 G HN 0.660 nan 8.290 nan 0.000 0.546 515 T N 0.000 114.515 114.554 -0.065 0.000 3.816 515 T HA 0.000 4.353 4.350 0.005 0.000 0.228 515 T CA 0.000 62.075 62.100 -0.041 0.000 1.349 515 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658