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 3f3a_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPXXX 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 ERRRNHE 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 0.000 176.049 176.300 -0.418 0.000 0.893 5 R CA 0.000 55.960 56.100 -0.234 0.000 0.921 5 R CB 0.000 30.145 30.300 -0.258 0.000 0.687 6 E N 1.762 121.769 120.200 -0.321 0.000 2.418 6 E HA 0.069 4.425 4.350 0.009 0.000 0.261 6 E C -0.758 175.491 176.600 -0.585 0.000 1.070 6 E CA 0.599 56.763 56.400 -0.393 0.000 0.931 6 E CB 0.472 29.887 29.700 -0.475 0.000 0.954 6 E HN 0.385 nan 8.360 nan 0.000 0.439 7 H N -0.297 118.667 119.070 -0.177 0.000 2.961 7 H HA 0.211 4.772 4.556 0.009 0.000 0.371 7 H C -1.115 174.073 175.328 -0.233 0.000 1.190 7 H CA -0.945 55.019 56.048 -0.140 0.000 1.138 7 H CB 0.748 30.509 29.762 -0.003 0.000 1.816 7 H HN 0.444 nan 8.280 nan 0.000 0.551 8 W N 1.119 122.488 121.300 0.114 0.000 2.231 8 W HA 0.242 4.909 4.660 0.012 0.000 0.341 8 W C 1.067 177.603 176.519 0.028 0.000 1.298 8 W CA 0.161 57.514 57.345 0.013 0.000 1.266 8 W CB 0.421 29.883 29.460 0.005 0.000 1.172 8 W HN 0.768 nan 8.180 nan 0.000 0.568 9 A N 1.926 124.881 122.820 0.224 0.000 1.903 9 A HA 0.060 4.385 4.320 0.009 0.000 0.213 9 A C 0.974 178.628 177.584 0.116 0.000 1.185 9 A CA 1.540 53.653 52.037 0.126 0.000 0.628 9 A CB -0.598 18.447 19.000 0.076 0.000 0.830 9 A HN 0.551 nan 8.150 nan 0.000 0.446 10 T N -4.801 109.830 114.554 0.128 0.000 2.916 10 T HA 0.542 4.898 4.350 0.009 0.000 0.292 10 T C 0.407 175.142 174.700 0.058 0.000 1.055 10 T CA -0.409 61.736 62.100 0.075 0.000 1.009 10 T CB 2.034 70.929 68.868 0.044 0.000 1.118 10 T HN 0.197 nan 8.240 nan 0.000 0.497 11 R N -0.033 120.485 120.500 0.030 0.000 2.081 11 R HA 0.007 4.352 4.340 0.009 0.000 0.235 11 R C 2.165 178.449 176.300 -0.027 0.000 1.131 11 R CA 1.425 57.530 56.100 0.008 0.000 0.960 11 R CB -0.651 29.652 30.300 0.006 0.000 0.856 11 R HN 0.621 nan 8.270 nan 0.000 0.436 12 L N 0.116 121.325 121.223 -0.023 0.000 2.017 12 L HA 0.013 4.359 4.340 0.009 0.000 0.208 12 L C 2.100 178.931 176.870 -0.064 0.000 1.073 12 L CA 2.425 57.241 54.840 -0.040 0.000 0.745 12 L CB -1.098 40.943 42.059 -0.029 0.000 0.894 12 L HN 0.285 nan 8.230 nan 0.000 0.432 13 G N -0.349 108.426 108.800 -0.042 0.000 2.418 13 G HA2 -0.291 3.675 3.960 0.009 0.000 0.217 13 G HA3 -0.291 3.675 3.960 0.009 0.000 0.217 13 G C 1.583 176.354 174.900 -0.215 0.000 1.158 13 G CA 0.957 46.027 45.100 -0.050 0.000 0.771 13 G HN 0.452 nan 8.290 nan 0.000 0.545 14 L N 0.758 121.793 121.223 -0.313 0.000 2.013 14 L HA -0.027 4.319 4.340 0.009 0.000 0.212 14 L C 2.618 179.173 176.870 -0.525 0.000 1.073 14 L CA 1.629 55.983 54.840 -0.810 0.000 0.753 14 L CB -0.481 41.233 42.059 -0.575 0.000 0.890 14 L HN 0.277 nan 8.230 nan 0.000 0.432 15 I N -1.111 119.329 120.570 -0.215 0.000 2.315 15 I HA -0.273 3.902 4.170 0.009 0.000 0.248 15 I C 2.336 178.395 176.117 -0.097 0.000 1.117 15 I CA 1.052 62.303 61.300 -0.081 0.000 1.404 15 I CB -0.213 37.763 38.000 -0.041 0.000 1.071 15 I HN 0.289 nan 8.210 nan 0.000 0.419 16 L N 0.270 121.417 121.223 -0.125 0.000 2.156 16 L HA -0.127 4.219 4.340 0.009 0.000 0.208 16 L C 2.814 179.625 176.870 -0.099 0.000 1.095 16 L CA 1.029 55.810 54.840 -0.099 0.000 0.770 16 L CB -0.671 41.333 42.059 -0.092 0.000 0.914 16 L HN 0.220 nan 8.230 nan 0.000 0.439 17 A N -0.213 122.499 122.820 -0.180 0.000 1.873 17 A HA -0.188 4.138 4.320 0.009 0.000 0.215 17 A C 2.323 179.919 177.584 0.021 0.000 1.186 17 A CA 1.330 53.286 52.037 -0.135 0.000 0.616 17 A CB -0.328 18.406 19.000 -0.443 0.000 0.823 17 A HN 0.226 nan 8.150 nan 0.000 0.442 18 M N -0.423 119.128 119.600 -0.082 0.000 2.175 18 M HA -0.101 4.384 4.480 0.009 0.000 0.264 18 M C 2.500 178.832 176.300 0.052 0.000 1.063 18 M CA 1.557 56.890 55.300 0.056 0.000 1.119 18 M CB -1.310 31.340 32.600 0.083 0.000 1.377 18 M HN 0.502 nan 8.290 nan 0.000 0.415 19 A N 0.109 122.939 122.820 0.018 0.000 1.898 19 A HA 0.007 4.333 4.320 0.009 0.000 0.216 19 A C 2.394 179.971 177.584 -0.011 0.000 1.181 19 A CA 1.862 53.897 52.037 -0.003 0.000 0.620 19 A CB -1.361 17.624 19.000 -0.024 0.000 0.819 19 A HN 0.508 nan 8.150 nan 0.000 0.442 20 G N 0.196 108.996 108.800 -0.000 0.000 2.422 20 G HA2 -0.321 3.645 3.960 0.009 0.000 0.218 20 G HA3 -0.321 3.645 3.960 0.009 0.000 0.218 20 G C 1.461 176.360 174.900 -0.002 0.000 1.146 20 G CA 1.343 46.449 45.100 0.009 0.000 0.769 20 G HN 0.635 nan 8.290 nan 0.000 0.547 21 N N 1.308 120.014 118.700 0.009 0.000 2.069 21 N HA -0.057 4.688 4.740 0.009 0.000 0.191 21 N C 2.325 177.730 175.510 -0.174 0.000 1.031 21 N CA 2.040 55.024 53.050 -0.109 0.000 0.852 21 N CB -0.431 37.943 38.487 -0.188 0.000 1.018 21 N HN 0.252 nan 8.380 nan 0.000 0.423 22 A N 0.195 122.940 122.820 -0.126 0.000 1.854 22 A HA 0.093 4.418 4.320 0.009 0.000 0.214 22 A C 0.824 178.322 177.584 -0.145 0.000 1.192 22 A CA 0.716 52.661 52.037 -0.153 0.000 0.611 22 A CB -0.713 18.233 19.000 -0.090 0.000 0.832 22 A HN 0.106 nan 8.150 nan 0.000 0.442 23 V N 1.060 120.924 119.914 -0.084 0.000 2.409 23 V HA 0.433 4.559 4.120 0.009 0.000 0.270 23 V C 0.881 176.970 176.094 -0.009 0.000 1.019 23 V CA 0.384 62.651 62.300 -0.055 0.000 1.066 23 V CB -0.333 31.488 31.823 -0.004 0.000 1.021 23 V HN 0.578 nan 8.190 nan 0.000 0.476 24 G N 3.128 111.923 108.800 -0.008 0.000 3.243 24 G HA2 0.510 4.476 3.960 0.009 0.000 0.248 24 G HA3 0.510 4.476 3.960 0.009 0.000 0.248 24 G C 0.178 175.203 174.900 0.207 0.000 1.267 24 G CA -0.830 44.324 45.100 0.090 0.000 0.906 24 G HN 0.419 nan 8.290 nan 0.000 0.592 25 L N 1.130 122.520 121.223 0.278 0.000 2.131 25 L HA 0.086 4.432 4.340 0.009 0.000 0.210 25 L C 3.049 180.140 176.870 0.369 0.000 1.092 25 L CA 2.059 57.100 54.840 0.334 0.000 0.759 25 L CB -0.708 41.558 42.059 0.344 0.000 0.903 25 L HN 0.649 nan 8.230 nan 0.000 0.435 26 G N -0.535 108.505 108.800 0.399 0.000 2.469 26 G HA2 -0.341 3.624 3.960 0.009 0.000 0.220 26 G HA3 -0.341 3.624 3.960 0.009 0.000 0.220 26 G C 1.476 176.548 174.900 0.287 0.000 1.136 26 G CA 1.126 46.531 45.100 0.508 0.000 0.759 26 G HN 0.426 nan 8.290 nan 0.000 0.562 27 N N 0.277 119.003 118.700 0.044 0.000 2.104 27 N HA -0.070 4.675 4.740 0.009 0.000 0.190 27 N C 1.611 176.963 175.510 -0.264 0.000 1.024 27 N CA 1.329 54.218 53.050 -0.269 0.000 0.853 27 N CB -0.335 37.697 38.487 -0.758 0.000 1.008 27 N HN 0.472 nan 8.380 nan 0.000 0.424 28 F N -1.104 118.973 119.950 0.212 0.000 2.746 28 F HA 0.338 4.871 4.527 0.010 0.000 0.297 28 F C 1.508 177.502 175.800 0.322 0.000 1.113 28 F CA 0.118 58.272 58.000 0.258 0.000 1.367 28 F CB 0.362 39.480 39.000 0.195 0.000 1.111 28 F HN -0.055 nan 8.300 nan 0.000 0.590 29 L N -1.556 119.917 121.223 0.415 0.000 2.678 29 L HA 0.224 4.570 4.340 0.009 0.000 0.211 29 L C 2.227 179.239 176.870 0.236 0.000 1.043 29 L CA 0.153 55.199 54.840 0.343 0.000 0.881 29 L CB -0.154 42.137 42.059 0.387 0.000 1.361 29 L HN -0.187 nan 8.230 nan 0.000 0.484 30 R N 0.276 120.928 120.500 0.253 0.000 2.055 30 R HA -0.129 4.216 4.340 0.009 0.000 0.226 30 R C 2.361 178.734 176.300 0.121 0.000 1.135 30 R CA 1.575 57.770 56.100 0.157 0.000 0.959 30 R CB -0.260 30.111 30.300 0.119 0.000 0.854 30 R HN 0.163 nan 8.270 nan 0.000 0.431 31 F N 2.261 122.258 119.950 0.078 0.000 2.091 31 F HA -0.083 4.449 4.527 0.009 0.000 0.299 31 F C -1.218 174.520 175.800 -0.103 0.000 1.103 31 F CA 1.277 59.292 58.000 0.025 0.000 1.228 31 F CB -0.927 38.102 39.000 0.049 0.000 0.984 31 F HN 0.072 nan 8.300 nan 0.000 0.477 32 P HA -0.130 nan 4.420 nan 0.000 0.218 32 P C 2.107 179.159 177.300 -0.413 0.000 1.149 32 P CA 1.493 64.380 63.100 -0.355 0.000 0.817 32 P CB -0.057 31.625 31.700 -0.031 0.000 0.785 33 V N -0.144 119.624 119.914 -0.242 0.000 2.453 33 V HA -0.208 3.917 4.120 0.009 0.000 0.247 33 V C 2.496 178.385 176.094 -0.342 0.000 1.048 33 V CA 1.674 63.846 62.300 -0.213 0.000 1.049 33 V CB -0.978 30.797 31.823 -0.079 0.000 0.672 33 V HN 0.130 nan 8.190 nan 0.000 0.457 34 Q N -0.216 119.328 119.800 -0.427 0.000 2.123 34 Q HA -0.062 4.284 4.340 0.009 0.000 0.199 34 Q C 2.399 177.706 176.000 -1.155 0.000 0.966 34 Q CA 1.710 57.162 55.803 -0.584 0.000 0.845 34 Q CB -0.560 27.944 28.738 -0.390 0.000 0.907 34 Q HN 0.636 nan 8.270 nan 0.000 0.439 35 A N 1.184 123.194 122.820 -1.351 0.000 1.898 35 A HA -0.013 4.313 4.320 0.009 0.000 0.216 35 A C 2.323 179.363 177.584 -0.907 0.000 1.181 35 A CA 1.673 52.846 52.037 -1.440 0.000 0.620 35 A CB -0.560 17.660 19.000 -1.301 0.000 0.819 35 A HN 0.344 nan 8.150 nan 0.000 0.442 36 A N -0.441 121.929 122.820 -0.750 0.000 1.969 36 A HA -0.112 4.213 4.320 0.009 0.000 0.218 36 A C 1.866 179.196 177.584 -0.423 0.000 1.169 36 A CA 1.515 53.182 52.037 -0.617 0.000 0.635 36 A CB -0.346 18.391 19.000 -0.437 0.000 0.810 36 A HN 0.619 nan 8.150 nan 0.000 0.445 37 E N -0.557 119.416 120.200 -0.378 0.000 2.385 37 E HA 0.030 4.385 4.350 0.009 0.000 0.194 37 E C 0.026 176.496 176.600 -0.217 0.000 1.013 37 E CA 0.096 56.355 56.400 -0.234 0.000 0.866 37 E CB 0.113 29.703 29.700 -0.184 0.000 0.832 37 E HN 0.522 nan 8.360 nan 0.000 0.500 38 N N -0.208 118.291 118.700 -0.335 0.000 2.497 38 N HA 0.118 4.863 4.740 0.009 0.000 0.284 38 N C 0.171 175.658 175.510 -0.039 0.000 1.459 38 N CA 0.332 53.288 53.050 -0.156 0.000 0.899 38 N CB 1.835 40.252 38.487 -0.116 0.000 1.316 38 N HN 0.172 nan 8.380 nan 0.000 0.500 39 G N -0.093 108.627 108.800 -0.133 0.000 2.164 39 G HA2 -0.136 3.830 3.960 0.009 0.000 0.154 39 G HA3 -0.136 3.830 3.960 0.009 0.000 0.154 39 G C 0.720 175.514 174.900 -0.177 0.000 1.014 39 G CA 0.137 45.174 45.100 -0.105 0.000 0.683 39 G HN 0.629 nan 8.290 nan 0.000 0.500 40 G N -0.007 108.621 108.800 -0.286 0.000 2.651 40 G HA2 0.015 3.980 3.960 0.009 0.000 0.315 40 G HA3 0.015 3.980 3.960 0.009 0.000 0.315 40 G C 1.942 176.801 174.900 -0.068 0.000 1.258 40 G CA 2.103 47.000 45.100 -0.339 0.000 1.002 40 G HN 1.853 nan 8.290 nan 0.000 0.551 41 G N 0.119 108.955 108.800 0.060 0.000 2.450 41 G HA2 0.177 4.143 3.960 0.009 0.000 0.220 41 G HA3 0.177 4.143 3.960 0.009 0.000 0.220 41 G C 2.133 177.081 174.900 0.080 0.000 1.130 41 G CA 2.883 48.133 45.100 0.249 0.000 0.760 41 G HN 1.850 nan 8.290 nan 0.000 0.557 42 A N 0.393 123.136 122.820 -0.129 0.000 1.978 42 A HA 0.017 4.343 4.320 0.009 0.000 0.220 42 A C 2.085 179.696 177.584 0.046 0.000 1.170 42 A CA 1.426 53.381 52.037 -0.136 0.000 0.636 42 A CB -0.534 18.283 19.000 -0.306 0.000 0.810 42 A HN 0.420 nan 8.150 nan 0.000 0.448 43 F N -0.039 119.859 119.950 -0.086 0.000 2.307 43 F HA -0.167 4.366 4.527 0.010 0.000 0.301 43 F C 1.780 177.596 175.800 0.027 0.000 1.076 43 F CA 1.702 59.652 58.000 -0.083 0.000 1.383 43 F CB -0.222 38.686 39.000 -0.153 0.000 1.055 43 F HN 0.163 nan 8.300 nan 0.000 0.526 44 M N -0.358 119.308 119.600 0.110 0.000 2.460 44 M HA -0.152 4.334 4.480 0.009 0.000 0.263 44 M C 1.845 178.173 176.300 0.046 0.000 1.071 44 M CA 0.726 56.092 55.300 0.110 0.000 1.096 44 M CB -0.658 32.022 32.600 0.133 0.000 1.408 44 M HN 0.073 nan 8.290 nan 0.000 0.463 45 I N 0.959 121.523 120.570 -0.010 0.000 2.094 45 I HA -0.148 4.027 4.170 0.009 0.000 0.234 45 I C -0.447 175.580 176.117 -0.149 0.000 1.063 45 I CA 1.641 62.934 61.300 -0.012 0.000 1.328 45 I CB -2.720 35.310 38.000 0.050 0.000 1.058 45 I HN 0.140 nan 8.210 nan 0.000 0.400 46 P HA -0.201 nan 4.420 nan 0.000 0.223 46 P C 1.802 178.895 177.300 -0.344 0.000 1.151 46 P CA 1.494 64.154 63.100 -0.733 0.000 0.787 46 P CB -0.225 30.627 31.700 -1.414 0.000 0.788 47 Y N 0.933 120.927 120.300 -0.510 0.000 2.184 47 Y HA -0.081 4.473 4.550 0.007 0.000 0.290 47 Y C 2.384 178.230 175.900 -0.090 0.000 1.129 47 Y CA 1.374 59.264 58.100 -0.349 0.000 1.144 47 Y CB -0.843 37.378 38.460 -0.398 0.000 0.995 47 Y HN -0.272 nan 8.280 nan 0.000 0.513 48 I N -0.140 120.469 120.570 0.064 0.000 2.286 48 I HA -0.315 3.860 4.170 0.009 0.000 0.248 48 I C 2.219 178.377 176.117 0.069 0.000 1.115 48 I CA 1.295 62.632 61.300 0.062 0.000 1.392 48 I CB -0.348 37.711 38.000 0.097 0.000 1.065 48 I HN 0.271 nan 8.210 nan 0.000 0.418 49 I N 0.797 121.400 120.570 0.055 0.000 2.179 49 I HA -0.297 3.879 4.170 0.009 0.000 0.242 49 I C 2.837 178.938 176.117 -0.026 0.000 1.088 49 I CA 1.407 62.761 61.300 0.089 0.000 1.357 49 I CB -0.517 37.633 38.000 0.250 0.000 1.051 49 I HN 0.191 nan 8.210 nan 0.000 0.409 50 A N 0.701 123.472 122.820 -0.081 0.000 1.902 50 A HA -0.273 4.053 4.320 0.009 0.000 0.217 50 A C 2.233 179.713 177.584 -0.174 0.000 1.181 50 A CA 1.519 53.436 52.037 -0.200 0.000 0.623 50 A CB -0.998 17.927 19.000 -0.125 0.000 0.818 50 A HN 0.442 nan 8.150 nan 0.000 0.443 51 F N 0.691 120.459 119.950 -0.303 0.000 2.095 51 F HA -0.157 4.374 4.527 0.007 0.000 0.298 51 F C 1.904 177.592 175.800 -0.187 0.000 1.104 51 F CA 1.876 59.703 58.000 -0.290 0.000 1.232 51 F CB -0.278 38.529 39.000 -0.322 0.000 0.987 51 F HN 0.145 nan 8.300 nan 0.000 0.475 52 L N -0.611 120.559 121.223 -0.088 0.000 2.156 52 L HA -0.141 4.204 4.340 0.009 0.000 0.208 52 L C 2.151 179.015 176.870 -0.011 0.000 1.095 52 L CA 0.866 55.673 54.840 -0.056 0.000 0.770 52 L CB -0.540 41.560 42.059 0.069 0.000 0.914 52 L HN 0.205 nan 8.230 nan 0.000 0.439 53 L N -1.805 119.347 121.223 -0.118 0.000 2.463 53 L HA 0.061 4.407 4.340 0.009 0.000 0.219 53 L C 1.733 178.489 176.870 -0.190 0.000 1.088 53 L CA 0.007 54.767 54.840 -0.133 0.000 0.849 53 L CB 0.478 42.394 42.059 -0.238 0.000 1.012 53 L HN 0.026 nan 8.230 nan 0.000 0.468 54 V N -1.361 118.395 119.914 -0.264 0.000 3.029 54 V HA 0.208 4.333 4.120 0.009 0.000 0.230 54 V C 2.264 178.231 176.094 -0.211 0.000 1.254 54 V CA 1.001 63.189 62.300 -0.186 0.000 1.276 54 V CB -0.012 31.715 31.823 -0.159 0.000 1.080 54 V HN 0.302 nan 8.190 nan 0.000 0.495 55 G N 0.903 109.528 108.800 -0.291 0.000 2.434 55 G HA2 -0.155 3.810 3.960 0.009 0.000 0.214 55 G HA3 -0.155 3.810 3.960 0.009 0.000 0.214 55 G C 1.472 176.039 174.900 -0.556 0.000 1.202 55 G CA 1.075 45.953 45.100 -0.370 0.000 0.788 55 G HN 0.280 nan 8.290 nan 0.000 0.539 56 I N 2.133 122.204 120.570 -0.831 0.000 2.127 56 I HA -0.082 4.094 4.170 0.009 0.000 0.241 56 I C 0.058 175.643 176.117 -0.887 0.000 1.075 56 I CA 1.212 61.862 61.300 -1.084 0.000 1.334 56 I CB -1.890 35.347 38.000 -1.273 0.000 1.040 56 I HN 0.114 nan 8.210 nan 0.000 0.405 57 P HA -0.164 nan 4.420 nan 0.000 0.215 57 P C 2.360 179.609 177.300 -0.084 0.000 1.157 57 P CA 1.396 64.403 63.100 -0.155 0.000 0.868 57 P CB -0.004 31.703 31.700 0.012 0.000 0.788 58 L N -1.428 119.711 121.223 -0.140 0.000 2.109 58 L HA -0.116 4.230 4.340 0.009 0.000 0.207 58 L C 2.429 179.247 176.870 -0.085 0.000 1.086 58 L CA 1.382 56.169 54.840 -0.088 0.000 0.760 58 L CB -0.596 41.382 42.059 -0.136 0.000 0.910 58 L HN 0.017 nan 8.230 nan 0.000 0.437 59 M N -0.693 118.793 119.600 -0.189 0.000 2.073 59 M HA -0.313 4.173 4.480 0.009 0.000 0.258 59 M C 2.217 178.557 176.300 0.067 0.000 1.070 59 M CA 2.159 57.395 55.300 -0.106 0.000 1.103 59 M CB -0.767 31.654 32.600 -0.299 0.000 1.321 59 M HN 0.329 nan 8.290 nan 0.000 0.405 60 W N 0.913 122.135 121.300 -0.131 0.000 2.338 60 W HA -0.159 4.505 4.660 0.006 0.000 0.304 60 W C 2.423 178.949 176.519 0.012 0.000 1.212 60 W CA 1.006 58.270 57.345 -0.136 0.000 1.264 60 W CB -1.198 28.129 29.460 -0.222 0.000 1.142 60 W HN 0.312 nan 8.180 nan 0.000 0.512 61 I N 0.175 120.887 120.570 0.236 0.000 2.179 61 I HA -0.306 3.869 4.170 0.009 0.000 0.242 61 I C 2.246 178.299 176.117 -0.107 0.000 1.088 61 I CA 1.553 62.910 61.300 0.094 0.000 1.357 61 I CB -0.526 37.554 38.000 0.133 0.000 1.051 61 I HN -0.033 nan 8.210 nan 0.000 0.409 62 E N -0.129 120.081 120.200 0.016 0.000 2.077 62 E HA -0.255 4.101 4.350 0.009 0.000 0.193 62 E C 2.037 178.689 176.600 0.087 0.000 0.989 62 E CA 1.558 57.968 56.400 0.018 0.000 0.800 62 E CB -0.207 29.523 29.700 0.051 0.000 0.746 62 E HN 0.464 nan 8.360 nan 0.000 0.452 63 W N 0.931 122.223 121.300 -0.012 0.000 2.338 63 W HA -0.186 4.481 4.660 0.013 0.000 0.304 63 W C 2.605 179.134 176.519 0.017 0.000 1.212 63 W CA 1.500 58.866 57.345 0.035 0.000 1.264 63 W CB -0.659 28.851 29.460 0.083 0.000 1.142 63 W HN 0.093 nan 8.180 nan 0.000 0.512 64 A N -0.538 122.412 122.820 0.216 0.000 1.902 64 A HA -0.204 4.122 4.320 0.009 0.000 0.217 64 A C 1.974 179.557 177.584 -0.001 0.000 1.181 64 A CA 1.931 54.044 52.037 0.125 0.000 0.623 64 A CB -0.816 18.286 19.000 0.170 0.000 0.818 64 A HN 0.256 nan 8.150 nan 0.000 0.443 65 M N -0.692 118.750 119.600 -0.263 0.000 2.117 65 M HA -0.101 4.385 4.480 0.009 0.000 0.262 65 M C 2.338 178.658 176.300 0.034 0.000 1.065 65 M CA 1.512 56.667 55.300 -0.240 0.000 1.114 65 M CB -0.648 31.746 32.600 -0.343 0.000 1.361 65 M HN 0.514 nan 8.290 nan 0.000 0.408 66 G N -0.026 108.791 108.800 0.028 0.000 2.402 66 G HA2 -0.217 3.748 3.960 0.009 0.000 0.216 66 G HA3 -0.217 3.748 3.960 0.009 0.000 0.216 66 G C 1.583 176.517 174.900 0.058 0.000 1.162 66 G CA 0.746 45.865 45.100 0.031 0.000 0.777 66 G HN 0.384 nan 8.290 nan 0.000 0.539 67 R N -0.931 119.636 120.500 0.112 0.000 2.091 67 R HA -0.154 4.191 4.340 0.009 0.000 0.238 67 R C 2.244 178.631 176.300 0.146 0.000 1.136 67 R CA 1.555 57.737 56.100 0.138 0.000 0.959 67 R CB -0.556 29.857 30.300 0.189 0.000 0.856 67 R HN 0.428 nan 8.270 nan 0.000 0.437 68 Y N 0.277 120.610 120.300 0.055 0.000 2.128 68 Y HA -0.106 4.450 4.550 0.009 0.000 0.284 68 Y C 2.133 178.065 175.900 0.055 0.000 1.154 68 Y CA 2.070 60.206 58.100 0.060 0.000 1.149 68 Y CB -0.732 37.758 38.460 0.051 0.000 0.976 68 Y HN 0.174 nan 8.280 nan 0.000 0.505 69 G N -0.778 108.106 108.800 0.140 0.000 2.402 69 G HA2 -0.207 3.759 3.960 0.009 0.000 0.216 69 G HA3 -0.207 3.759 3.960 0.009 0.000 0.216 69 G C 1.897 176.790 174.900 -0.011 0.000 1.162 69 G CA 0.660 45.806 45.100 0.075 0.000 0.777 69 G HN 0.618 nan 8.290 nan 0.000 0.539 70 G N 1.175 109.953 108.800 -0.036 0.000 2.442 70 G HA2 -0.002 3.964 3.960 0.009 0.000 0.219 70 G HA3 -0.002 3.964 3.960 0.009 0.000 0.219 70 G C 1.982 176.841 174.900 -0.070 0.000 1.141 70 G CA 1.470 46.512 45.100 -0.096 0.000 0.763 70 G HN 0.655 nan 8.290 nan 0.000 0.554 71 A N -0.134 122.651 122.820 -0.057 0.000 2.067 71 A HA 0.028 4.354 4.320 0.009 0.000 0.219 71 A C 2.104 179.630 177.584 -0.097 0.000 1.158 71 A CA 1.400 53.402 52.037 -0.058 0.000 0.661 71 A CB -0.120 18.837 19.000 -0.072 0.000 0.801 71 A HN 0.486 nan 8.150 nan 0.000 0.452 72 Q N -1.637 118.088 119.800 -0.126 0.000 2.188 72 Q HA 0.330 4.676 4.340 0.009 0.000 0.212 72 Q C 0.772 176.630 176.000 -0.238 0.000 0.846 72 Q CA 0.204 55.942 55.803 -0.108 0.000 0.989 72 Q CB 0.483 29.201 28.738 -0.034 0.000 1.114 72 Q HN 0.790 nan 8.270 nan 0.000 0.488 73 G N 1.511 110.150 108.800 -0.268 0.000 2.136 73 G HA2 -0.207 3.758 3.960 0.009 0.000 0.242 73 G HA3 -0.207 3.758 3.960 0.009 0.000 0.242 73 G C -0.316 174.247 174.900 -0.561 0.000 0.989 73 G CA -0.221 44.635 45.100 -0.406 0.000 0.682 73 G HN 0.436 nan 8.290 nan 0.000 0.522 74 H N -0.717 118.303 119.070 -0.083 0.000 2.727 74 H HA 0.543 5.105 4.556 0.009 0.000 0.330 74 H C 0.980 176.264 175.328 -0.074 0.000 0.986 74 H CA -0.036 55.976 56.048 -0.059 0.000 1.251 74 H CB 1.437 31.196 29.762 -0.005 0.000 1.493 74 H HN 0.241 nan 8.280 nan 0.000 0.515 75 G N 2.182 110.988 108.800 0.011 0.000 3.126 75 G HA2 0.015 3.981 3.960 0.009 0.000 0.224 75 G HA3 0.015 3.981 3.960 0.009 0.000 0.224 75 G C 0.470 175.388 174.900 0.029 0.000 1.142 75 G CA 0.166 45.228 45.100 -0.063 0.000 0.759 75 G HN 0.573 nan 8.290 nan 0.000 0.550 76 T N -3.623 110.992 114.554 0.101 0.000 2.916 76 T HA 0.453 4.809 4.350 0.009 0.000 0.292 76 T C 1.352 176.107 174.700 0.091 0.000 1.064 76 T CA 0.351 62.511 62.100 0.099 0.000 1.011 76 T CB 1.600 70.560 68.868 0.155 0.000 1.152 76 T HN 0.003 nan 8.240 nan 0.000 0.510 77 T N -2.417 112.145 114.554 0.013 0.000 3.023 77 T HA 0.127 4.483 4.350 0.009 0.000 0.266 77 T C -1.171 173.500 174.700 -0.049 0.000 1.093 77 T CA 0.396 62.461 62.100 -0.058 0.000 1.129 77 T CB -1.537 67.153 68.868 -0.296 0.000 0.899 77 T HN 0.415 nan 8.240 nan 0.000 0.491 78 P HA 0.055 nan 4.420 nan 0.000 0.215 78 P C 1.821 179.171 177.300 0.083 0.000 1.157 78 P CA 1.532 64.642 63.100 0.016 0.000 0.868 78 P CB -0.315 31.388 31.700 0.005 0.000 0.788 79 A N -0.957 121.892 122.820 0.047 0.000 1.897 79 A HA -0.101 4.224 4.320 0.009 0.000 0.215 79 A C 2.231 179.861 177.584 0.076 0.000 1.181 79 A CA 1.184 53.174 52.037 -0.079 0.000 0.620 79 A CB -1.510 17.245 19.000 -0.408 0.000 0.821 79 A HN 0.073 nan 8.150 nan 0.000 0.443 80 I N -1.674 118.998 120.570 0.169 0.000 2.252 80 I HA -0.198 3.978 4.170 0.009 0.000 0.245 80 I C 2.177 178.534 176.117 0.400 0.000 1.102 80 I CA 1.084 62.550 61.300 0.276 0.000 1.385 80 I CB -0.349 37.817 38.000 0.278 0.000 1.064 80 I HN 0.236 nan 8.210 nan 0.000 0.414 81 F N 0.189 120.235 119.950 0.159 0.000 2.161 81 F HA -0.264 4.268 4.527 0.009 0.000 0.300 81 F C 2.453 178.391 175.800 0.230 0.000 1.089 81 F CA 1.297 59.409 58.000 0.187 0.000 1.282 81 F CB -1.029 38.087 39.000 0.192 0.000 1.010 81 F HN 0.095 nan 8.300 nan 0.000 0.485 82 Y N 0.075 120.523 120.300 0.246 0.000 2.314 82 Y HA -0.088 4.468 4.550 0.009 0.000 0.293 82 Y C 2.057 178.048 175.900 0.153 0.000 1.129 82 Y CA 1.193 59.370 58.100 0.128 0.000 1.201 82 Y CB -0.407 38.078 38.460 0.041 0.000 0.999 82 Y HN -0.033 nan 8.280 nan 0.000 0.541 83 L N -0.502 120.843 121.223 0.203 0.000 2.131 83 L HA -0.212 4.134 4.340 0.009 0.000 0.210 83 L C 1.961 178.973 176.870 0.236 0.000 1.092 83 L CA 1.087 56.046 54.840 0.199 0.000 0.759 83 L CB -0.476 41.764 42.059 0.303 0.000 0.903 83 L HN 0.276 nan 8.230 nan 0.000 0.435 84 L N -2.280 119.050 121.223 0.178 0.000 2.446 84 L HA -0.011 4.335 4.340 0.009 0.000 0.219 84 L C 0.209 177.289 176.870 0.350 0.000 1.116 84 L CA 0.075 54.994 54.840 0.131 0.000 0.844 84 L CB 0.132 42.130 42.059 -0.102 0.000 0.970 84 L HN 0.302 nan 8.230 nan 0.000 0.457 85 W N 1.117 122.427 121.300 0.016 0.000 2.533 85 W HA 0.256 4.922 4.660 0.010 0.000 0.293 85 W C -0.603 175.848 176.519 -0.112 0.000 1.052 85 W CA -1.369 55.974 57.345 -0.003 0.000 1.118 85 W CB 0.455 29.928 29.460 0.022 0.000 0.972 85 W HN -0.198 nan 8.180 nan 0.000 0.300 86 R N 4.534 124.920 120.500 -0.190 0.000 3.206 86 R HA 0.093 4.439 4.340 0.009 0.000 0.209 86 R C -0.034 176.036 176.300 -0.383 0.000 1.632 86 R CA 0.229 55.919 56.100 -0.682 0.000 1.234 86 R CB -0.323 29.687 30.300 -0.483 0.000 1.270 86 R HN 0.319 nan 8.270 nan 0.000 0.665 87 N N 0.833 119.316 118.700 -0.361 0.000 2.324 87 N HA 0.069 4.815 4.740 0.009 0.000 0.285 87 N C 0.426 175.883 175.510 -0.089 0.000 1.076 87 N CA -0.492 52.359 53.050 -0.332 0.000 0.864 87 N CB 1.747 39.618 38.487 -1.028 0.000 1.632 87 N HN 0.213 nan 8.380 nan 0.000 0.478 88 R N 2.045 122.557 120.500 0.021 0.000 2.127 88 R HA -0.123 4.223 4.340 0.009 0.000 0.238 88 R C 1.462 177.803 176.300 0.067 0.000 1.134 88 R CA 1.593 57.727 56.100 0.056 0.000 0.975 88 R CB -0.265 30.076 30.300 0.069 0.000 0.865 88 R HN 0.550 nan 8.270 nan 0.000 0.447 89 F N 0.703 120.559 119.950 -0.157 0.000 2.407 89 F HA 0.091 4.623 4.527 0.009 0.000 0.299 89 F C 1.881 177.648 175.800 -0.055 0.000 1.097 89 F CA 0.739 58.686 58.000 -0.088 0.000 1.422 89 F CB -0.316 38.635 39.000 -0.081 0.000 1.067 89 F HN 0.102 nan 8.300 nan 0.000 0.539 90 A N 0.232 122.863 122.820 -0.316 0.000 1.898 90 A HA -0.174 4.151 4.320 0.009 0.000 0.216 90 A C 2.320 179.998 177.584 0.156 0.000 1.181 90 A CA 1.606 53.599 52.037 -0.072 0.000 0.620 90 A CB -0.635 18.312 19.000 -0.088 0.000 0.819 90 A HN 0.372 nan 8.150 nan 0.000 0.442 91 K N -1.029 119.437 120.400 0.110 0.000 2.063 91 K HA -0.146 4.180 4.320 0.009 0.000 0.208 91 K C 1.786 178.405 176.600 0.031 0.000 1.048 91 K CA 1.546 57.873 56.287 0.065 0.000 0.928 91 K CB -0.291 32.176 32.500 -0.054 0.000 0.713 91 K HN 0.469 nan 8.250 nan 0.000 0.442 92 I N 1.014 121.595 120.570 0.019 0.000 2.286 92 I HA -0.179 3.996 4.170 0.009 0.000 0.245 92 I C 1.669 177.844 176.117 0.097 0.000 1.104 92 I CA 1.141 62.479 61.300 0.063 0.000 1.397 92 I CB 0.026 38.114 38.000 0.147 0.000 1.072 92 I HN 0.107 nan 8.210 nan 0.000 0.417 93 L N 0.028 121.227 121.223 -0.040 0.000 2.131 93 L HA -0.127 4.218 4.340 0.009 0.000 0.210 93 L C 2.429 179.443 176.870 0.241 0.000 1.092 93 L CA 1.335 56.259 54.840 0.139 0.000 0.759 93 L CB -1.235 40.903 42.059 0.131 0.000 0.903 93 L HN 0.419 nan 8.230 nan 0.000 0.435 94 G N -0.742 108.108 108.800 0.083 0.000 2.422 94 G HA2 -0.170 3.795 3.960 0.009 0.000 0.218 94 G HA3 -0.170 3.795 3.960 0.009 0.000 0.218 94 G C 1.591 176.410 174.900 -0.135 0.000 1.140 94 G CA 0.650 45.622 45.100 -0.212 0.000 0.775 94 G HN 0.191 nan 8.290 nan 0.000 0.545 95 V N 0.214 120.087 119.914 -0.068 0.000 2.343 95 V HA -0.145 3.981 4.120 0.009 0.000 0.247 95 V C 2.300 178.344 176.094 -0.084 0.000 1.051 95 V CA 1.695 63.869 62.300 -0.211 0.000 1.036 95 V CB -0.581 30.984 31.823 -0.431 0.000 0.654 95 V HN 0.401 nan 8.190 nan 0.000 0.451 96 F N 1.682 121.671 119.950 0.065 0.000 2.202 96 F HA -0.120 4.412 4.527 0.009 0.000 0.301 96 F C 2.138 177.846 175.800 -0.154 0.000 1.082 96 F CA 1.616 59.763 58.000 0.245 0.000 1.313 96 F CB -0.402 38.824 39.000 0.377 0.000 1.024 96 F HN 0.196 nan 8.300 nan 0.000 0.495 97 G N -0.658 107.841 108.800 -0.501 0.000 2.650 97 G HA2 -0.148 3.818 3.960 0.009 0.000 0.214 97 G HA3 -0.148 3.818 3.960 0.009 0.000 0.214 97 G C 1.312 175.885 174.900 -0.544 0.000 1.136 97 G CA 0.724 45.094 45.100 -1.217 0.000 0.789 97 G HN 0.398 nan 8.290 nan 0.000 0.536 98 L N -1.465 119.567 121.223 -0.318 0.000 2.357 98 L HA 0.395 4.741 4.340 0.009 0.000 0.211 98 L C 2.157 178.929 176.870 -0.163 0.000 1.075 98 L CA 0.401 55.103 54.840 -0.230 0.000 0.830 98 L CB -0.421 41.473 42.059 -0.274 0.000 0.996 98 L HN 0.335 nan 8.230 nan 0.000 0.467 99 W N 0.636 121.732 121.300 -0.339 0.000 2.358 99 W HA -0.201 4.464 4.660 0.009 0.000 0.303 99 W C 2.110 178.482 176.519 -0.245 0.000 1.208 99 W CA 2.311 59.505 57.345 -0.252 0.000 1.274 99 W CB -0.174 29.182 29.460 -0.172 0.000 1.138 99 W HN 0.152 nan 8.180 nan 0.000 0.515 100 I N 1.858 122.219 120.570 -0.348 0.000 2.091 100 I HA -0.317 3.859 4.170 0.009 0.000 0.239 100 I C -0.322 175.589 176.117 -0.344 0.000 1.061 100 I CA 1.962 62.967 61.300 -0.491 0.000 1.317 100 I CB -1.914 35.833 38.000 -0.422 0.000 1.031 100 I HN -0.044 nan 8.210 nan 0.000 0.401 101 P HA -0.136 nan 4.420 nan 0.000 0.222 101 P C 1.851 179.064 177.300 -0.145 0.000 1.153 101 P CA 1.082 64.100 63.100 -0.137 0.000 0.798 101 P CB -0.028 31.610 31.700 -0.104 0.000 0.796 102 L N 0.398 121.522 121.223 -0.164 0.000 2.017 102 L HA -0.111 4.235 4.340 0.009 0.000 0.208 102 L C 2.360 179.145 176.870 -0.142 0.000 1.073 102 L CA 1.866 56.641 54.840 -0.108 0.000 0.745 102 L CB -1.363 40.653 42.059 -0.073 0.000 0.894 102 L HN -0.240 nan 8.230 nan 0.000 0.432 103 V N -1.098 118.624 119.914 -0.320 0.000 2.358 103 V HA -0.244 3.882 4.120 0.009 0.000 0.246 103 V C 2.519 178.564 176.094 -0.082 0.000 1.047 103 V CA 1.540 63.685 62.300 -0.260 0.000 1.035 103 V CB -0.421 31.039 31.823 -0.605 0.000 0.658 103 V HN 0.363 nan 8.190 nan 0.000 0.452 104 V N 0.374 120.185 119.914 -0.172 0.000 2.343 104 V HA -0.243 3.882 4.120 0.009 0.000 0.247 104 V C 2.739 178.565 176.094 -0.448 0.000 1.051 104 V CA 1.896 63.971 62.300 -0.376 0.000 1.036 104 V CB -1.158 30.564 31.823 -0.169 0.000 0.654 104 V HN 0.556 nan 8.190 nan 0.000 0.451 105 A N -0.104 122.602 122.820 -0.189 0.000 1.948 105 A HA -0.232 4.094 4.320 0.009 0.000 0.220 105 A C 2.164 179.750 177.584 0.003 0.000 1.177 105 A CA 2.110 54.107 52.037 -0.067 0.000 0.636 105 A CB -0.626 18.370 19.000 -0.007 0.000 0.815 105 A HN 0.543 nan 8.150 nan 0.000 0.449 106 I N -1.307 119.275 120.570 0.019 0.000 2.493 106 I HA -0.235 3.940 4.170 0.009 0.000 0.254 106 I C 2.284 178.498 176.117 0.162 0.000 1.160 106 I CA 1.536 62.912 61.300 0.127 0.000 1.445 106 I CB -0.214 37.881 38.000 0.159 0.000 1.086 106 I HN 0.739 nan 8.210 nan 0.000 0.433 107 Y N -2.587 117.767 120.300 0.091 0.000 2.507 107 Y HA 0.053 4.609 4.550 0.009 0.000 0.263 107 Y C 2.216 178.159 175.900 0.073 0.000 1.093 107 Y CA -0.093 58.051 58.100 0.073 0.000 1.285 107 Y CB -0.912 37.589 38.460 0.069 0.000 1.115 107 Y HN -0.003 nan 8.280 nan 0.000 0.533 108 Y N 1.285 121.362 120.300 -0.372 0.000 2.263 108 Y HA -0.064 4.491 4.550 0.009 0.000 0.292 108 Y C 2.149 177.983 175.900 -0.110 0.000 1.130 108 Y CA 1.473 59.405 58.100 -0.279 0.000 1.179 108 Y CB -0.183 38.063 38.460 -0.357 0.000 0.998 108 Y HN 0.035 nan 8.280 nan 0.000 0.532 109 V N -0.506 119.459 119.914 0.084 0.000 2.515 109 V HA -0.287 3.839 4.120 0.009 0.000 0.250 109 V C 1.953 178.173 176.094 0.211 0.000 1.058 109 V CA 1.950 64.343 62.300 0.156 0.000 1.064 109 V CB -1.081 30.909 31.823 0.279 0.000 0.675 109 V HN 0.484 nan 8.190 nan 0.000 0.461 110 Y N 0.677 120.963 120.300 -0.024 0.000 2.181 110 Y HA -0.178 4.377 4.550 0.010 0.000 0.288 110 Y C 2.236 177.647 175.900 -0.815 0.000 1.146 110 Y CA 1.233 59.144 58.100 -0.314 0.000 1.164 110 Y CB -0.329 37.831 38.460 -0.500 0.000 0.982 110 Y HN 0.177 nan 8.280 nan 0.000 0.515 111 I N 0.176 120.086 120.570 -1.101 0.000 2.163 111 I HA -0.345 3.830 4.170 0.009 0.000 0.243 111 I C 2.551 178.104 176.117 -0.939 0.000 1.085 111 I CA 2.012 62.289 61.300 -1.705 0.000 1.347 111 I CB -0.503 36.882 38.000 -1.024 0.000 1.044 111 I HN 0.293 nan 8.210 nan 0.000 0.408 112 E N 1.036 120.879 120.200 -0.596 0.000 2.097 112 E HA -0.289 4.067 4.350 0.009 0.000 0.196 112 E C 2.239 178.895 176.600 0.095 0.000 1.000 112 E CA 2.046 58.332 56.400 -0.190 0.000 0.804 112 E CB -0.027 29.584 29.700 -0.147 0.000 0.740 112 E HN 0.558 nan 8.360 nan 0.000 0.454 113 S N -0.131 115.604 115.700 0.059 0.000 2.400 113 S HA -0.172 4.303 4.470 0.009 0.000 0.232 113 S C 1.701 176.506 174.600 0.341 0.000 1.025 113 S CA 1.043 59.396 58.200 0.254 0.000 0.993 113 S CB -0.774 62.681 63.200 0.425 0.000 0.808 113 S HN 0.444 nan 8.310 nan 0.000 0.478 114 W N 2.894 124.268 121.300 0.123 0.000 2.363 114 W HA -0.001 4.664 4.660 0.009 0.000 0.296 114 W C 2.984 179.583 176.519 0.132 0.000 1.212 114 W CA 1.406 58.803 57.345 0.088 0.000 1.260 114 W CB -1.957 27.414 29.460 -0.148 0.000 1.131 114 W HN 0.638 nan 8.180 nan 0.000 0.530 115 T N -1.098 113.724 114.554 0.445 0.000 2.857 115 T HA -0.151 4.204 4.350 0.009 0.000 0.266 115 T C 1.928 176.812 174.700 0.306 0.000 1.048 115 T CA 1.245 63.584 62.100 0.398 0.000 1.139 115 T CB -0.755 68.370 68.868 0.427 0.000 0.874 115 T HN -0.014 nan 8.240 nan 0.000 0.455 116 L N 2.184 123.525 121.223 0.197 0.000 2.056 116 L HA 0.307 4.653 4.340 0.009 0.000 0.207 116 L C 2.669 179.615 176.870 0.126 0.000 1.078 116 L CA 2.021 56.786 54.840 -0.124 0.000 0.749 116 L CB -1.284 40.463 42.059 -0.521 0.000 0.901 116 L HN 0.366 nan 8.230 nan 0.000 0.433 117 G N -1.208 107.769 108.800 0.296 0.000 2.418 117 G HA2 -0.288 3.678 3.960 0.009 0.000 0.217 117 G HA3 -0.288 3.678 3.960 0.009 0.000 0.217 117 G C 1.403 176.624 174.900 0.535 0.000 1.158 117 G CA 0.859 46.266 45.100 0.512 0.000 0.771 117 G HN 0.394 nan 8.290 nan 0.000 0.545 118 F N 1.753 121.732 119.950 0.049 0.000 2.234 118 F HA 0.144 4.677 4.527 0.010 0.000 0.299 118 F C 2.949 178.853 175.800 0.173 0.000 1.087 118 F CA 0.461 58.421 58.000 -0.067 0.000 1.340 118 F CB -0.468 37.982 39.000 -0.915 0.000 1.031 118 F HN 0.244 nan 8.300 nan 0.000 0.500 119 A N 0.379 123.429 122.820 0.383 0.000 1.877 119 A HA -0.150 4.175 4.320 0.009 0.000 0.216 119 A C 2.282 180.166 177.584 0.499 0.000 1.186 119 A CA 1.675 54.003 52.037 0.485 0.000 0.620 119 A CB -1.084 18.107 19.000 0.319 0.000 0.822 119 A HN 0.334 nan 8.150 nan 0.000 0.443 120 I N -0.272 120.507 120.570 0.348 0.000 2.127 120 I HA -0.299 3.877 4.170 0.009 0.000 0.241 120 I C 2.434 178.677 176.117 0.209 0.000 1.075 120 I CA 1.538 63.000 61.300 0.269 0.000 1.334 120 I CB -0.265 37.944 38.000 0.349 0.000 1.040 120 I HN 0.189 nan 8.210 nan 0.000 0.405 121 K N 0.344 120.873 120.400 0.215 0.000 2.063 121 K HA -0.163 4.163 4.320 0.009 0.000 0.208 121 K C 2.118 178.719 176.600 0.001 0.000 1.048 121 K CA 1.776 58.083 56.287 0.033 0.000 0.928 121 K CB -0.655 31.855 32.500 0.017 0.000 0.713 121 K HN 0.246 nan 8.250 nan 0.000 0.442 122 F N 0.992 121.005 119.950 0.105 0.000 2.146 122 F HA -0.164 4.370 4.527 0.010 0.000 0.298 122 F C 2.304 178.173 175.800 0.115 0.000 1.096 122 F CA 0.582 58.671 58.000 0.148 0.000 1.275 122 F CB -0.393 38.791 39.000 0.306 0.000 1.008 122 F HN -0.069 nan 8.300 nan 0.000 0.480 123 L N 0.459 121.829 121.223 0.245 0.000 2.012 123 L HA -0.159 4.186 4.340 0.009 0.000 0.210 123 L C 2.203 179.041 176.870 -0.053 0.000 1.073 123 L CA 1.952 56.732 54.840 -0.099 0.000 0.748 123 L CB -0.854 40.937 42.059 -0.448 0.000 0.891 123 L HN 0.113 nan 8.230 nan 0.000 0.431 124 V N -2.891 117.004 119.914 -0.032 0.000 3.623 124 V HA 0.434 4.560 4.120 0.009 0.000 0.271 124 V C 1.572 177.636 176.094 -0.050 0.000 1.248 124 V CA 0.434 62.707 62.300 -0.046 0.000 1.156 124 V CB -0.867 30.927 31.823 -0.048 0.000 0.870 124 V HN 0.684 nan 8.190 nan 0.000 0.453 125 G N 0.933 109.701 108.800 -0.053 0.000 2.148 125 G HA2 -0.249 3.716 3.960 0.009 0.000 0.254 125 G HA3 -0.249 3.716 3.960 0.009 0.000 0.254 125 G C 0.096 174.898 174.900 -0.164 0.000 0.981 125 G CA 0.341 45.386 45.100 -0.091 0.000 0.670 125 G HN 0.589 nan 8.290 nan 0.000 0.528 126 L N 1.146 122.262 121.223 -0.179 0.000 2.533 126 L HA 0.437 4.782 4.340 0.009 0.000 0.239 126 L C 0.978 177.673 176.870 -0.291 0.000 1.376 126 L CA -0.288 54.438 54.840 -0.190 0.000 1.240 126 L CB -0.251 41.712 42.059 -0.160 0.000 1.487 126 L HN 0.336 nan 8.230 nan 0.000 0.419 127 V N -1.700 117.953 119.914 -0.434 0.000 3.141 127 V HA 0.742 4.868 4.120 0.009 0.000 0.312 127 V C -2.584 173.158 176.094 -0.586 0.000 1.157 127 V CA -2.379 59.454 62.300 -0.779 0.000 1.041 127 V CB 1.554 32.697 31.823 -1.132 0.000 1.071 127 V HN 0.071 nan 8.190 nan 0.000 0.441 128 P HA 0.455 nan 4.420 nan 0.000 0.272 128 P C -1.046 176.019 177.300 -0.392 0.000 1.240 128 P CA -0.081 62.657 63.100 -0.603 0.000 0.791 128 P CB 0.276 31.418 31.700 -0.930 0.000 0.978 129 E N 1.160 121.232 120.200 -0.212 0.000 2.580 129 E HA 0.266 4.621 4.350 0.009 0.000 0.248 129 E C -2.287 174.301 176.600 -0.019 0.000 1.018 129 E CA -1.463 54.898 56.400 -0.065 0.000 0.775 129 E CB 0.748 30.417 29.700 -0.052 0.000 1.378 129 E HN 0.423 nan 8.360 nan 0.000 0.401 130 P HA 0.370 nan 4.420 nan 0.000 0.278 130 P C -2.312 175.031 177.300 0.071 0.000 1.258 130 P CA -1.367 61.771 63.100 0.064 0.000 0.811 130 P CB -0.020 31.756 31.700 0.127 0.000 1.063 136 D N 1.611 122.047 120.400 0.060 0.000 2.272 136 D HA 0.410 5.056 4.640 0.009 0.000 0.247 136 D C -1.492 174.886 176.300 0.130 0.000 0.990 136 D CA -1.857 52.188 54.000 0.074 0.000 0.931 136 D CB 1.686 42.515 40.800 0.049 0.000 1.195 136 D HN 0.078 nan 8.370 nan 0.000 0.477 137 P HA -0.217 nan 4.420 nan 0.000 0.217 137 P C 0.750 178.160 177.300 0.182 0.000 1.162 137 P CA 1.440 64.709 63.100 0.282 0.000 0.901 137 P CB 0.431 32.240 31.700 0.181 0.000 0.793 138 D N -0.997 119.457 120.400 0.091 0.000 2.219 138 D HA -0.093 4.553 4.640 0.009 0.000 0.205 138 D C 2.189 178.535 176.300 0.078 0.000 0.970 138 D CA 0.931 54.967 54.000 0.059 0.000 0.851 138 D CB -0.530 40.286 40.800 0.028 0.000 0.943 138 D HN 0.019 nan 8.370 nan 0.000 0.488 139 S N -1.112 114.642 115.700 0.089 0.000 2.453 139 S HA -0.004 4.472 4.470 0.009 0.000 0.231 139 S C 1.774 176.443 174.600 0.116 0.000 1.005 139 S CA 0.518 58.767 58.200 0.083 0.000 0.949 139 S CB -0.138 63.105 63.200 0.070 0.000 0.774 139 S HN 0.282 nan 8.310 nan 0.000 0.510 140 I N 0.234 120.901 120.570 0.162 0.000 2.731 140 I HA 0.032 4.208 4.170 0.009 0.000 0.260 140 I C 1.899 178.172 176.117 0.261 0.000 1.138 140 I CA 0.443 61.867 61.300 0.207 0.000 1.461 140 I CB -0.227 37.899 38.000 0.210 0.000 1.128 140 I HN 0.224 nan 8.210 nan 0.000 0.438 141 L N 0.631 121.974 121.223 0.200 0.000 2.072 141 L HA -0.104 4.241 4.340 0.009 0.000 0.205 141 L C 2.775 179.747 176.870 0.170 0.000 1.079 141 L CA 1.203 56.146 54.840 0.172 0.000 0.752 141 L CB -0.579 41.518 42.059 0.063 0.000 0.906 141 L HN 0.168 nan 8.230 nan 0.000 0.436 142 R N 0.338 120.895 120.500 0.096 0.000 2.103 142 R HA -0.169 4.176 4.340 0.009 0.000 0.242 142 R C -0.460 175.852 176.300 0.019 0.000 1.142 142 R CA 1.766 57.884 56.100 0.030 0.000 0.960 142 R CB -1.020 29.289 30.300 0.014 0.000 0.858 142 R HN 0.238 nan 8.270 nan 0.000 0.439 143 P HA -0.113 nan 4.420 nan 0.000 0.218 143 P C 0.513 177.703 177.300 -0.184 0.000 1.149 143 P CA 1.299 64.338 63.100 -0.102 0.000 0.817 143 P CB -0.016 31.576 31.700 -0.179 0.000 0.785 144 F N -0.190 119.781 119.950 0.035 0.000 2.335 144 F HA 0.043 4.576 4.527 0.010 0.000 0.296 144 F C 2.385 178.265 175.800 0.133 0.000 1.091 144 F CA 1.040 59.100 58.000 0.100 0.000 1.399 144 F CB -0.495 38.556 39.000 0.086 0.000 1.067 144 F HN -0.202 nan 8.300 nan 0.000 0.520 145 K N 0.799 121.279 120.400 0.134 0.000 2.057 145 K HA -0.191 4.135 4.320 0.009 0.000 0.207 145 K C 1.840 178.297 176.600 -0.237 0.000 1.049 145 K CA 1.760 57.964 56.287 -0.139 0.000 0.931 145 K CB -0.102 32.222 32.500 -0.293 0.000 0.714 145 K HN 0.274 nan 8.250 nan 0.000 0.440 146 E N -0.243 119.894 120.200 -0.104 0.000 2.077 146 E HA -0.203 4.153 4.350 0.009 0.000 0.193 146 E C 1.893 178.550 176.600 0.095 0.000 0.989 146 E CA 1.152 57.537 56.400 -0.024 0.000 0.800 146 E CB -0.242 29.450 29.700 -0.012 0.000 0.746 146 E HN 0.291 nan 8.360 nan 0.000 0.452 147 F N 1.803 121.725 119.950 -0.048 0.000 2.065 147 F HA -0.267 4.266 4.527 0.009 0.000 0.298 147 F C 2.215 178.090 175.800 0.125 0.000 1.112 147 F CA 1.401 59.376 58.000 -0.041 0.000 1.212 147 F CB -0.278 38.621 39.000 -0.169 0.000 0.975 147 F HN -0.002 nan 8.300 nan 0.000 0.476 148 L N -0.471 120.989 121.223 0.395 0.000 2.017 148 L HA -0.236 4.110 4.340 0.009 0.000 0.208 148 L C 2.186 179.280 176.870 0.374 0.000 1.073 148 L CA 1.834 56.958 54.840 0.472 0.000 0.745 148 L CB -1.383 40.987 42.059 0.518 0.000 0.894 148 L HN 0.174 nan 8.230 nan 0.000 0.432 149 Y N -0.321 120.040 120.300 0.103 0.000 2.256 149 Y HA -0.172 4.383 4.550 0.009 0.000 0.288 149 Y C 2.905 178.805 175.900 -0.001 0.000 1.155 149 Y CA 1.141 59.265 58.100 0.039 0.000 1.203 149 Y CB -1.199 37.288 38.460 0.045 0.000 0.980 149 Y HN 0.259 nan 8.280 nan 0.000 0.530 150 S N -1.290 114.498 115.700 0.146 0.000 2.387 150 S HA -0.163 4.312 4.470 0.009 0.000 0.226 150 S C 1.838 176.434 174.600 -0.008 0.000 1.026 150 S CA 0.662 58.879 58.200 0.028 0.000 0.972 150 S CB -0.468 62.711 63.200 -0.035 0.000 0.814 150 S HN 0.543 nan 8.310 nan 0.000 0.477 151 Y N 1.888 122.102 120.300 -0.144 0.000 2.133 151 Y HA -0.094 4.462 4.550 0.010 0.000 0.287 151 Y C 1.890 177.734 175.900 -0.093 0.000 1.134 151 Y CA 1.423 59.453 58.100 -0.116 0.000 1.133 151 Y CB -0.144 38.264 38.460 -0.087 0.000 0.987 151 Y HN 0.142 nan 8.280 nan 0.000 0.502 152 I N 0.050 120.641 120.570 0.035 0.000 2.617 152 I HA 0.023 4.199 4.170 0.009 0.000 0.256 152 I C 1.692 177.735 176.117 -0.123 0.000 1.167 152 I CA 1.502 62.719 61.300 -0.139 0.000 1.469 152 I CB -1.698 36.105 38.000 -0.329 0.000 1.098 152 I HN 0.479 nan 8.210 nan 0.000 0.436 153 G N 1.558 110.304 108.800 -0.089 0.000 2.248 153 G HA2 -0.202 3.764 3.960 0.009 0.000 0.263 153 G HA3 -0.202 3.764 3.960 0.009 0.000 0.263 153 G C 0.304 175.133 174.900 -0.120 0.000 1.082 153 G CA 0.147 45.194 45.100 -0.087 0.000 0.863 153 G HN 0.142 nan 8.290 nan 0.000 0.495 154 V N 0.848 120.654 119.914 -0.180 0.000 2.752 154 V HA 0.146 4.271 4.120 0.009 0.000 0.306 154 V C -0.895 175.101 176.094 -0.163 0.000 1.099 154 V CA -0.134 61.997 62.300 -0.281 0.000 1.240 154 V CB 0.460 31.891 31.823 -0.653 0.000 0.887 154 V HN 0.368 nan 8.190 nan 0.000 0.499 155 P HA 0.142 nan 4.420 nan 0.000 0.267 155 P C 0.225 177.491 177.300 -0.057 0.000 1.205 155 P CA 0.023 63.070 63.100 -0.089 0.000 0.765 155 P CB 0.443 32.083 31.700 -0.101 0.000 0.828 156 K N 1.317 121.702 120.400 -0.024 0.000 2.323 156 K HA 0.147 4.473 4.320 0.009 0.000 0.197 156 K C 1.293 177.892 176.600 -0.000 0.000 1.043 156 K CA 0.378 56.667 56.287 0.003 0.000 0.997 156 K CB 0.261 32.770 32.500 0.016 0.000 0.807 156 K HN 0.583 nan 8.250 nan 0.000 0.497 157 G N 0.276 109.070 108.800 -0.011 0.000 2.971 157 G HA2 0.074 4.039 3.960 0.009 0.000 0.235 157 G HA3 0.074 4.039 3.960 0.009 0.000 0.235 157 G C -0.565 174.323 174.900 -0.021 0.000 1.351 157 G CA -0.381 44.714 45.100 -0.007 0.000 1.039 157 G HN -0.099 nan 8.290 nan 0.000 0.563 158 D N 0.119 120.512 120.400 -0.011 0.000 2.339 158 D HA 0.119 4.764 4.640 0.009 0.000 0.217 158 D C 0.333 176.611 176.300 -0.037 0.000 1.050 158 D CA 0.296 54.284 54.000 -0.020 0.000 0.856 158 D CB 0.374 41.180 40.800 0.011 0.000 0.922 158 D HN 0.245 nan 8.370 nan 0.000 0.518 159 E N 1.490 121.673 120.200 -0.028 0.000 2.289 159 E HA 0.127 4.483 4.350 0.009 0.000 0.278 159 E C -2.025 174.518 176.600 -0.095 0.000 1.032 159 E CA -1.735 54.645 56.400 -0.034 0.000 0.854 159 E CB 0.831 30.532 29.700 0.003 0.000 1.046 159 E HN 0.055 nan 8.360 nan 0.000 0.409 160 P HA 0.174 nan 4.420 nan 0.000 0.235 160 P C -0.370 176.856 177.300 -0.124 0.000 1.725 160 P CA -0.002 62.973 63.100 -0.208 0.000 0.894 160 P CB -0.117 31.372 31.700 -0.353 0.000 1.704 161 I N 0.845 121.372 120.570 -0.071 0.000 2.392 161 I HA 0.287 4.463 4.170 0.009 0.000 0.295 161 I C 0.642 176.744 176.117 -0.024 0.000 0.985 161 I CA -1.156 60.133 61.300 -0.019 0.000 1.221 161 I CB 1.220 39.228 38.000 0.014 0.000 1.366 161 I HN -0.057 nan 8.210 nan 0.000 0.467 162 L N 5.374 126.592 121.223 -0.007 0.000 2.344 162 L HA 0.508 4.854 4.340 0.009 0.000 0.272 162 L C 0.027 176.882 176.870 -0.024 0.000 1.035 162 L CA -0.824 53.977 54.840 -0.065 0.000 0.807 162 L CB 1.112 43.089 42.059 -0.136 0.000 1.237 162 L HN 0.385 nan 8.230 nan 0.000 0.442 163 K N 3.030 123.389 120.400 -0.069 0.000 2.701 163 K HA 0.417 4.742 4.320 0.009 0.000 0.212 163 K C -2.698 173.839 176.600 -0.105 0.000 1.035 163 K CA -2.040 54.229 56.287 -0.030 0.000 1.048 163 K CB 0.932 33.451 32.500 0.032 0.000 1.234 163 K HN 0.018 nan 8.250 nan 0.000 0.540 164 P HA 0.056 nan 4.420 nan 0.000 0.269 164 P C -0.453 176.781 177.300 -0.110 0.000 1.209 164 P CA -0.184 62.815 63.100 -0.169 0.000 0.776 164 P CB 0.696 32.294 31.700 -0.171 0.000 0.876 165 S N 2.091 117.701 115.700 -0.149 0.000 2.580 165 S HA 0.003 4.479 4.470 0.009 0.000 0.266 165 S C 1.178 175.772 174.600 -0.011 0.000 1.354 165 S CA -0.461 57.691 58.200 -0.080 0.000 1.008 165 S CB -0.044 63.099 63.200 -0.095 0.000 0.898 165 S HN 0.419 nan 8.310 nan 0.000 0.555 166 L N 1.406 122.659 121.223 0.049 0.000 2.046 166 L HA 0.029 4.374 4.340 0.009 0.000 0.208 166 L C 2.049 179.015 176.870 0.159 0.000 1.077 166 L CA 1.891 56.796 54.840 0.108 0.000 0.747 166 L CB -1.223 40.893 42.059 0.094 0.000 0.896 166 L HN 0.821 nan 8.230 nan 0.000 0.432 167 F N 0.775 120.725 119.950 0.000 0.000 2.091 167 F HA -0.283 4.250 4.527 0.009 0.000 0.299 167 F C 2.330 178.128 175.800 -0.003 0.000 1.103 167 F CA 2.011 60.020 58.000 0.015 0.000 1.228 167 F CB -0.844 38.159 39.000 0.005 0.000 0.984 167 F HN 0.192 nan 8.300 nan 0.000 0.477 168 A N -0.798 121.882 122.820 -0.233 0.000 1.908 168 A HA -0.278 4.048 4.320 0.009 0.000 0.218 168 A C 2.154 179.732 177.584 -0.011 0.000 1.181 168 A CA 1.852 53.601 52.037 -0.480 0.000 0.627 168 A CB -1.686 16.755 19.000 -0.933 0.000 0.818 168 A HN 0.652 nan 8.150 nan 0.000 0.445 169 Y N 0.160 120.439 120.300 -0.036 0.000 2.163 169 Y HA -0.108 4.448 4.550 0.010 0.000 0.288 169 Y C 2.056 178.052 175.900 0.161 0.000 1.136 169 Y CA 1.655 59.822 58.100 0.113 0.000 1.147 169 Y CB -0.191 38.329 38.460 0.100 0.000 0.987 169 Y HN 0.255 nan 8.280 nan 0.000 0.509 170 I N -1.098 119.570 120.570 0.163 0.000 2.226 170 I HA -0.309 3.867 4.170 0.009 0.000 0.245 170 I C 2.164 178.238 176.117 -0.071 0.000 1.100 170 I CA 1.205 62.530 61.300 0.042 0.000 1.374 170 I CB -0.472 37.549 38.000 0.034 0.000 1.057 170 I HN 0.081 nan 8.210 nan 0.000 0.413 171 V N 0.553 120.370 119.914 -0.162 0.000 2.407 171 V HA -0.295 3.831 4.120 0.009 0.000 0.248 171 V C 2.254 178.392 176.094 0.073 0.000 1.055 171 V CA 1.736 63.959 62.300 -0.128 0.000 1.049 171 V CB -0.705 30.975 31.823 -0.238 0.000 0.662 171 V HN 0.366 nan 8.190 nan 0.000 0.455 172 F N 0.414 120.366 119.950 0.003 0.000 2.095 172 F HA -0.182 4.350 4.527 0.009 0.000 0.298 172 F C 2.052 177.862 175.800 0.015 0.000 1.104 172 F CA 1.533 59.568 58.000 0.059 0.000 1.232 172 F CB -0.412 38.623 39.000 0.059 0.000 0.987 172 F HN 0.032 nan 8.300 nan 0.000 0.475 173 L N -0.209 120.899 121.223 -0.192 0.000 2.012 173 L HA -0.277 4.069 4.340 0.009 0.000 0.210 173 L C 2.530 179.292 176.870 -0.180 0.000 1.073 173 L CA 1.656 56.332 54.840 -0.273 0.000 0.748 173 L CB -0.652 41.303 42.059 -0.173 0.000 0.891 173 L HN 0.180 nan 8.230 nan 0.000 0.431 174 I N -0.896 119.620 120.570 -0.091 0.000 2.226 174 I HA -0.281 3.894 4.170 0.009 0.000 0.245 174 I C 2.456 178.619 176.117 0.076 0.000 1.100 174 I CA 1.518 62.816 61.300 -0.003 0.000 1.374 174 I CB -0.501 37.486 38.000 -0.022 0.000 1.057 174 I HN 0.262 nan 8.210 nan 0.000 0.413 175 T N 0.764 115.337 114.554 0.032 0.000 2.746 175 T HA -0.154 4.202 4.350 0.009 0.000 0.267 175 T C 1.972 176.672 174.700 0.001 0.000 1.039 175 T CA 1.211 63.375 62.100 0.108 0.000 1.142 175 T CB -0.107 68.870 68.868 0.181 0.000 0.866 175 T HN 0.148 nan 8.240 nan 0.000 0.444 176 M N 0.483 119.970 119.600 -0.188 0.000 2.086 176 M HA 0.009 4.494 4.480 0.009 0.000 0.261 176 M C 2.114 178.351 176.300 -0.104 0.000 1.067 176 M CA 1.321 56.493 55.300 -0.213 0.000 1.116 176 M CB -1.309 31.053 32.600 -0.397 0.000 1.348 176 M HN 0.266 nan 8.290 nan 0.000 0.407 177 F N 1.255 121.089 119.950 -0.194 0.000 2.091 177 F HA -0.230 4.303 4.527 0.010 0.000 0.299 177 F C 2.158 177.900 175.800 -0.097 0.000 1.103 177 F CA 1.630 59.545 58.000 -0.142 0.000 1.228 177 F CB -0.380 38.546 39.000 -0.123 0.000 0.984 177 F HN 0.026 nan 8.300 nan 0.000 0.477 178 I N 0.259 120.810 120.570 -0.033 0.000 2.252 178 I HA -0.333 3.843 4.170 0.009 0.000 0.245 178 I C 2.295 178.266 176.117 -0.243 0.000 1.102 178 I CA 1.370 62.601 61.300 -0.116 0.000 1.385 178 I CB -0.690 37.383 38.000 0.122 0.000 1.064 178 I HN 0.216 nan 8.210 nan 0.000 0.414 179 N N 0.572 119.167 118.700 -0.176 0.000 2.104 179 N HA -0.158 4.588 4.740 0.009 0.000 0.190 179 N C 1.961 177.335 175.510 -0.227 0.000 1.024 179 N CA 1.470 54.401 53.050 -0.198 0.000 0.853 179 N CB -0.141 38.278 38.487 -0.113 0.000 1.008 179 N HN 0.174 nan 8.380 nan 0.000 0.424 180 V N 1.194 120.960 119.914 -0.246 0.000 2.358 180 V HA -0.169 3.957 4.120 0.009 0.000 0.246 180 V C 2.292 178.195 176.094 -0.319 0.000 1.047 180 V CA 1.384 63.534 62.300 -0.250 0.000 1.035 180 V CB -0.511 31.171 31.823 -0.236 0.000 0.658 180 V HN 0.258 nan 8.190 nan 0.000 0.452 181 S N 0.018 115.433 115.700 -0.475 0.000 2.370 181 S HA -0.149 4.326 4.470 0.009 0.000 0.226 181 S C 1.852 176.279 174.600 -0.289 0.000 1.033 181 S CA 1.773 59.707 58.200 -0.443 0.000 1.011 181 S CB -0.321 62.543 63.200 -0.560 0.000 0.852 181 S HN 0.515 nan 8.310 nan 0.000 0.457 182 I N 1.084 121.475 120.570 -0.299 0.000 2.163 182 I HA -0.146 4.030 4.170 0.009 0.000 0.240 182 I C 2.100 178.102 176.117 -0.192 0.000 1.081 182 I CA 1.071 62.217 61.300 -0.258 0.000 1.353 182 I CB -0.368 37.401 38.000 -0.385 0.000 1.054 182 I HN 0.201 nan 8.210 nan 0.000 0.407 183 L N 0.254 121.367 121.223 -0.183 0.000 2.083 183 L HA -0.215 4.130 4.340 0.009 0.000 0.209 183 L C 2.488 179.276 176.870 -0.137 0.000 1.083 183 L CA 1.346 56.104 54.840 -0.137 0.000 0.752 183 L CB -0.329 41.668 42.059 -0.103 0.000 0.899 183 L HN 0.274 nan 8.230 nan 0.000 0.433 184 I N -0.491 119.992 120.570 -0.146 0.000 3.001 184 I HA -0.208 3.968 4.170 0.009 0.000 0.268 184 I C 2.258 178.298 176.117 -0.129 0.000 1.267 184 I CA 0.833 62.056 61.300 -0.128 0.000 1.472 184 I CB -0.014 37.907 38.000 -0.132 0.000 1.089 184 I HN 0.172 nan 8.210 nan 0.000 0.468 185 R N 0.577 120.996 120.500 -0.136 0.000 2.276 185 R HA 0.224 4.570 4.340 0.009 0.000 0.196 185 R C 0.927 177.135 176.300 -0.152 0.000 0.961 185 R CA 0.502 56.526 56.100 -0.126 0.000 1.024 185 R CB 0.138 30.375 30.300 -0.106 0.000 0.940 185 R HN 0.485 nan 8.270 nan 0.000 0.480 186 G N 0.544 109.235 108.800 -0.181 0.000 2.627 186 G HA2 -0.237 3.729 3.960 0.009 0.000 0.214 186 G HA3 -0.237 3.729 3.960 0.009 0.000 0.214 186 G C 0.346 175.045 174.900 -0.335 0.000 1.331 186 G CA -0.504 44.442 45.100 -0.256 0.000 0.891 186 G HN -0.059 nan 8.290 nan 0.000 0.539 187 I N 1.307 121.562 120.570 -0.525 0.000 2.133 187 I HA -0.094 4.081 4.170 0.009 0.000 0.238 187 I C 3.207 179.009 176.117 -0.525 0.000 1.074 187 I CA 3.023 63.858 61.300 -0.776 0.000 1.342 187 I CB -1.710 35.495 38.000 -1.325 0.000 1.053 187 I HN 0.916 nan 8.210 nan 0.000 0.404 188 S N 0.658 116.134 115.700 -0.375 0.000 2.388 188 S HA -0.048 4.428 4.470 0.009 0.000 0.223 188 S C 1.786 176.339 174.600 -0.079 0.000 1.034 188 S CA 0.459 58.567 58.200 -0.154 0.000 0.963 188 S CB -0.335 62.803 63.200 -0.104 0.000 0.827 188 S HN 0.384 nan 8.310 nan 0.000 0.481 189 K N 1.032 121.369 120.400 -0.106 0.000 2.426 189 K HA 0.218 4.544 4.320 0.009 0.000 0.193 189 K C 1.710 178.278 176.600 -0.054 0.000 1.028 189 K CA 0.620 56.869 56.287 -0.063 0.000 1.047 189 K CB 0.101 32.559 32.500 -0.069 0.000 0.821 189 K HN 0.542 nan 8.250 nan 0.000 0.513 190 G N 0.951 109.701 108.800 -0.082 0.000 2.531 190 G HA2 0.031 3.997 3.960 0.009 0.000 0.210 190 G HA3 0.031 3.997 3.960 0.009 0.000 0.210 190 G C 1.316 176.211 174.900 -0.008 0.000 1.547 190 G CA -0.283 44.776 45.100 -0.067 0.000 0.740 190 G HN -0.033 nan 8.290 nan 0.000 0.611 191 I N 0.863 121.407 120.570 -0.043 0.000 2.142 191 I HA -0.117 4.059 4.170 0.009 0.000 0.240 191 I C 2.669 178.881 176.117 0.158 0.000 1.078 191 I CA 1.571 62.906 61.300 0.058 0.000 1.343 191 I CB -0.141 37.860 38.000 0.002 0.000 1.046 191 I HN 0.312 nan 8.210 nan 0.000 0.405 192 E N 1.137 121.436 120.200 0.165 0.000 2.051 192 E HA -0.280 4.075 4.350 0.009 0.000 0.192 192 E C 2.394 179.057 176.600 0.105 0.000 0.991 192 E CA 1.187 57.716 56.400 0.215 0.000 0.799 192 E CB -0.017 29.850 29.700 0.278 0.000 0.748 192 E HN 0.254 nan 8.360 nan 0.000 0.449 193 R N -0.415 120.135 120.500 0.083 0.000 2.091 193 R HA -0.197 4.149 4.340 0.009 0.000 0.238 193 R C 2.281 178.630 176.300 0.082 0.000 1.136 193 R CA 1.724 57.864 56.100 0.066 0.000 0.959 193 R CB -0.443 29.891 30.300 0.055 0.000 0.856 193 R HN 0.227 nan 8.270 nan 0.000 0.437 194 F N 0.939 120.869 119.950 -0.032 0.000 2.146 194 F HA -0.044 4.489 4.527 0.010 0.000 0.298 194 F C 2.124 177.882 175.800 -0.070 0.000 1.096 194 F CA 1.343 59.304 58.000 -0.066 0.000 1.275 194 F CB -0.625 38.309 39.000 -0.110 0.000 1.008 194 F HN 0.122 nan 8.300 nan 0.000 0.480 195 A N 0.287 123.055 122.820 -0.085 0.000 1.948 195 A HA -0.261 4.065 4.320 0.009 0.000 0.220 195 A C 2.255 179.728 177.584 -0.186 0.000 1.177 195 A CA 2.072 54.010 52.037 -0.165 0.000 0.636 195 A CB -0.767 18.209 19.000 -0.041 0.000 0.815 195 A HN 0.484 nan 8.150 nan 0.000 0.449 196 K N -0.839 119.494 120.400 -0.113 0.000 2.211 196 K HA 0.028 4.354 4.320 0.009 0.000 0.203 196 K C 1.628 178.175 176.600 -0.088 0.000 1.050 196 K CA 1.276 57.516 56.287 -0.078 0.000 0.945 196 K CB -0.220 32.261 32.500 -0.031 0.000 0.732 196 K HN 0.589 nan 8.250 nan 0.000 0.451 197 I N 0.095 120.580 120.570 -0.141 0.000 2.494 197 I HA -0.118 4.057 4.170 0.009 0.000 0.250 197 I C 2.355 178.385 176.117 -0.144 0.000 1.112 197 I CA 0.572 61.809 61.300 -0.104 0.000 1.438 197 I CB -0.140 37.821 38.000 -0.064 0.000 1.111 197 I HN 0.056 nan 8.210 nan 0.000 0.431 198 A N 0.874 123.434 122.820 -0.434 0.000 1.897 198 A HA -0.140 4.186 4.320 0.009 0.000 0.215 198 A C 2.301 179.818 177.584 -0.111 0.000 1.181 198 A CA 1.261 53.033 52.037 -0.442 0.000 0.620 198 A CB -0.324 17.948 19.000 -1.214 0.000 0.821 198 A HN 0.214 nan 8.150 nan 0.000 0.443 199 M N -0.589 118.934 119.600 -0.128 0.000 2.132 199 M HA -0.030 4.455 4.480 0.009 0.000 0.263 199 M C -0.464 175.857 176.300 0.036 0.000 1.065 199 M CA 1.245 56.524 55.300 -0.035 0.000 1.122 199 M CB -2.449 30.115 32.600 -0.059 0.000 1.365 199 M HN 0.135 nan 8.290 nan 0.000 0.411 200 P HA -0.060 nan 4.420 nan 0.000 0.216 200 P C 1.577 178.947 177.300 0.116 0.000 1.153 200 P CA 1.443 64.606 63.100 0.104 0.000 0.848 200 P CB -0.281 31.455 31.700 0.061 0.000 0.787 201 T N 0.129 114.712 114.554 0.048 0.000 2.665 201 T HA -0.170 4.186 4.350 0.009 0.000 0.268 201 T C 1.682 176.301 174.700 -0.136 0.000 1.035 201 T CA 1.160 63.234 62.100 -0.044 0.000 1.151 201 T CB -0.947 67.911 68.868 -0.016 0.000 0.862 201 T HN -0.049 nan 8.240 nan 0.000 0.438 202 L N 0.496 121.693 121.223 -0.043 0.000 2.017 202 L HA 0.048 4.393 4.340 0.009 0.000 0.208 202 L C 2.027 178.899 176.870 0.003 0.000 1.073 202 L CA 1.502 56.301 54.840 -0.067 0.000 0.745 202 L CB -1.109 40.982 42.059 0.054 0.000 0.894 202 L HN 0.262 nan 8.230 nan 0.000 0.432 203 F N -0.088 119.833 119.950 -0.049 0.000 2.095 203 F HA -0.242 4.291 4.527 0.009 0.000 0.298 203 F C 2.302 178.081 175.800 -0.036 0.000 1.104 203 F CA 1.678 59.667 58.000 -0.019 0.000 1.232 203 F CB -0.457 38.535 39.000 -0.014 0.000 0.987 203 F HN 0.066 nan 8.300 nan 0.000 0.475 204 I N -0.049 120.404 120.570 -0.196 0.000 2.179 204 I HA -0.332 3.843 4.170 0.009 0.000 0.242 204 I C 2.419 178.387 176.117 -0.247 0.000 1.088 204 I CA 1.392 62.516 61.300 -0.292 0.000 1.357 204 I CB -0.548 37.376 38.000 -0.127 0.000 1.051 204 I HN 0.168 nan 8.210 nan 0.000 0.409 205 L N 0.232 121.300 121.223 -0.258 0.000 2.046 205 L HA -0.222 4.124 4.340 0.009 0.000 0.208 205 L C 2.783 179.538 176.870 -0.193 0.000 1.077 205 L CA 1.447 56.124 54.840 -0.272 0.000 0.747 205 L CB -0.750 41.026 42.059 -0.472 0.000 0.896 205 L HN 0.252 nan 8.230 nan 0.000 0.432 206 A N -0.564 122.126 122.820 -0.217 0.000 1.898 206 A HA -0.132 4.194 4.320 0.009 0.000 0.216 206 A C 2.346 179.848 177.584 -0.137 0.000 1.181 206 A CA 1.690 53.640 52.037 -0.146 0.000 0.620 206 A CB -0.774 18.233 19.000 0.012 0.000 0.819 206 A HN 0.180 nan 8.150 nan 0.000 0.442 207 V N -1.298 118.467 119.914 -0.248 0.000 2.307 207 V HA -0.223 3.903 4.120 0.009 0.000 0.245 207 V C 2.258 178.240 176.094 -0.186 0.000 1.045 207 V CA 2.068 64.201 62.300 -0.279 0.000 1.024 207 V CB -0.924 30.616 31.823 -0.473 0.000 0.651 207 V HN 0.630 nan 8.190 nan 0.000 0.449 208 F N 0.308 120.112 119.950 -0.245 0.000 2.120 208 F HA -0.245 4.288 4.527 0.009 0.000 0.300 208 F C 2.057 177.762 175.800 -0.158 0.000 1.095 208 F CA 1.809 59.706 58.000 -0.171 0.000 1.249 208 F CB -0.229 38.689 39.000 -0.138 0.000 0.995 208 F HN 0.034 nan 8.300 nan 0.000 0.480 209 L N -0.911 120.296 121.223 -0.026 0.000 2.046 209 L HA -0.232 4.114 4.340 0.009 0.000 0.208 209 L C 2.396 179.144 176.870 -0.204 0.000 1.077 209 L CA 1.000 55.788 54.840 -0.086 0.000 0.747 209 L CB -0.797 41.252 42.059 -0.016 0.000 0.896 209 L HN 0.003 nan 8.230 nan 0.000 0.432 210 V N 0.130 119.890 119.914 -0.256 0.000 2.343 210 V HA -0.311 3.815 4.120 0.009 0.000 0.247 210 V C 2.291 177.987 176.094 -0.663 0.000 1.051 210 V CA 1.906 63.926 62.300 -0.467 0.000 1.036 210 V CB -0.273 31.253 31.823 -0.495 0.000 0.654 210 V HN 0.304 nan 8.190 nan 0.000 0.451 211 I N -0.686 119.586 120.570 -0.497 0.000 2.142 211 I HA -0.223 3.952 4.170 0.009 0.000 0.240 211 I C 2.799 178.736 176.117 -0.301 0.000 1.078 211 I CA 1.532 62.598 61.300 -0.390 0.000 1.343 211 I CB -0.562 37.226 38.000 -0.354 0.000 1.046 211 I HN 0.197 nan 8.210 nan 0.000 0.405 212 R N 1.080 121.325 120.500 -0.426 0.000 2.103 212 R HA -0.160 4.185 4.340 0.009 0.000 0.242 212 R C 2.185 178.421 176.300 -0.106 0.000 1.142 212 R CA 1.698 57.613 56.100 -0.309 0.000 0.960 212 R CB -0.746 29.323 30.300 -0.383 0.000 0.858 212 R HN 0.231 nan 8.270 nan 0.000 0.439 213 V N 0.822 120.689 119.914 -0.077 0.000 2.407 213 V HA -0.217 3.909 4.120 0.009 0.000 0.248 213 V C 2.113 178.345 176.094 0.229 0.000 1.055 213 V CA 1.446 63.785 62.300 0.065 0.000 1.049 213 V CB -0.651 31.218 31.823 0.077 0.000 0.662 213 V HN 0.140 nan 8.190 nan 0.000 0.455 214 F N -0.407 119.516 119.950 -0.044 0.000 2.546 214 F HA 0.051 4.582 4.527 0.007 0.000 0.298 214 F C 1.826 177.608 175.800 -0.029 0.000 1.120 214 F CA 0.633 58.618 58.000 -0.025 0.000 1.456 214 F CB -0.667 38.319 39.000 -0.022 0.000 1.088 214 F HN 0.146 nan 8.300 nan 0.000 0.572 215 L N -1.033 120.274 121.223 0.139 0.000 2.554 215 L HA 0.088 4.433 4.340 0.009 0.000 0.225 215 L C 0.708 177.602 176.870 0.040 0.000 1.104 215 L CA -0.033 54.843 54.840 0.061 0.000 0.866 215 L CB -0.148 41.922 42.059 0.018 0.000 1.047 215 L HN -0.164 nan 8.230 nan 0.000 0.468 216 L N 1.493 122.748 121.223 0.052 0.000 2.559 216 L HA -0.004 4.341 4.340 0.009 0.000 0.274 216 L C -0.034 176.846 176.870 0.017 0.000 1.205 216 L CA 0.825 55.688 54.840 0.040 0.000 0.907 216 L CB 0.130 42.222 42.059 0.055 0.000 1.153 216 L HN 0.199 nan 8.230 nan 0.000 0.490 217 E N 1.789 121.991 120.200 0.003 0.000 2.256 217 E HA 0.468 4.824 4.350 0.009 0.000 0.268 217 E C -0.759 175.812 176.600 -0.048 0.000 0.877 217 E CA -0.522 55.864 56.400 -0.024 0.000 0.757 217 E CB 2.447 32.133 29.700 -0.023 0.000 1.183 217 E HN 0.643 nan 8.360 nan 0.000 0.418 218 T N -0.980 113.519 114.554 -0.092 0.000 2.865 218 T HA 0.415 4.771 4.350 0.009 0.000 0.294 218 T C -2.293 172.314 174.700 -0.155 0.000 1.119 218 T CA -1.929 60.075 62.100 -0.160 0.000 1.007 218 T CB 1.544 70.222 68.868 -0.316 0.000 1.225 218 T HN 0.023 nan 8.240 nan 0.000 0.515 219 P HA 0.025 nan 4.420 nan 0.000 0.222 219 P C 1.063 178.277 177.300 -0.144 0.000 1.147 219 P CA 0.725 63.743 63.100 -0.137 0.000 0.790 219 P CB 0.015 31.633 31.700 -0.135 0.000 0.780 220 N N -0.918 117.661 118.700 -0.202 0.000 2.416 220 N HA 0.087 4.832 4.740 0.009 0.000 0.177 220 N C 1.241 176.674 175.510 -0.129 0.000 1.036 220 N CA 1.258 54.202 53.050 -0.177 0.000 0.901 220 N CB 0.270 38.609 38.487 -0.247 0.000 0.976 220 N HN 0.201 nan 8.380 nan 0.000 0.444 221 G N -0.783 107.942 108.800 -0.124 0.000 2.333 221 G HA2 0.254 4.220 3.960 0.009 0.000 0.288 221 G HA3 0.254 4.220 3.960 0.009 0.000 0.288 221 G C -1.283 173.575 174.900 -0.070 0.000 1.286 221 G CA -0.155 44.895 45.100 -0.083 0.000 0.865 221 G HN 0.210 nan 8.290 nan 0.000 0.506 222 T N -3.149 111.375 114.554 -0.050 0.000 2.864 222 T HA 0.751 5.107 4.350 0.009 0.000 0.289 222 T C 1.543 176.223 174.700 -0.032 0.000 1.082 222 T CA 0.669 62.746 62.100 -0.039 0.000 1.009 222 T CB 1.464 70.306 68.868 -0.043 0.000 1.234 222 T HN 1.999 nan 8.240 nan 0.000 0.526 223 A N 0.559 123.362 122.820 -0.028 0.000 1.933 223 A HA 0.250 4.575 4.320 0.009 0.000 0.218 223 A C 2.598 180.117 177.584 -0.108 0.000 1.175 223 A CA 2.094 54.112 52.037 -0.031 0.000 0.628 223 A CB -1.610 17.399 19.000 0.015 0.000 0.814 223 A HN 1.381 nan 8.150 nan 0.000 0.444 224 A N 0.480 123.212 122.820 -0.146 0.000 1.892 224 A HA -0.271 4.054 4.320 0.009 0.000 0.218 224 A C 1.731 179.282 177.584 -0.056 0.000 1.188 224 A CA 2.083 54.036 52.037 -0.139 0.000 0.631 224 A CB -0.753 18.179 19.000 -0.113 0.000 0.822 224 A HN 0.491 nan 8.150 nan 0.000 0.447 225 D N -0.418 119.962 120.400 -0.033 0.000 2.149 225 D HA -0.107 4.539 4.640 0.009 0.000 0.198 225 D C 2.014 178.338 176.300 0.040 0.000 0.990 225 D CA 1.474 55.473 54.000 -0.001 0.000 0.839 225 D CB -0.766 40.024 40.800 -0.017 0.000 0.948 225 D HN 0.477 nan 8.370 nan 0.000 0.460 226 G N 0.734 109.551 108.800 0.028 0.000 2.404 226 G HA2 -0.175 3.791 3.960 0.009 0.000 0.215 226 G HA3 -0.175 3.791 3.960 0.009 0.000 0.215 226 G C 1.807 176.754 174.900 0.078 0.000 1.174 226 G CA 0.210 45.355 45.100 0.074 0.000 0.780 226 G HN 0.242 nan 8.290 nan 0.000 0.537 227 L N 0.294 121.542 121.223 0.042 0.000 2.012 227 L HA -0.143 4.203 4.340 0.009 0.000 0.210 227 L C 2.687 179.619 176.870 0.103 0.000 1.073 227 L CA 1.450 56.348 54.840 0.097 0.000 0.748 227 L CB -0.583 41.537 42.059 0.102 0.000 0.891 227 L HN 0.288 nan 8.230 nan 0.000 0.431 228 N N 0.316 119.063 118.700 0.078 0.000 2.005 228 N HA -0.326 4.420 4.740 0.009 0.000 0.199 228 N C 1.796 177.340 175.510 0.057 0.000 1.054 228 N CA 2.119 55.215 53.050 0.077 0.000 0.864 228 N CB -0.389 38.134 38.487 0.061 0.000 1.063 228 N HN 0.245 nan 8.380 nan 0.000 0.428 229 F N 0.536 120.447 119.950 -0.065 0.000 2.120 229 F HA -0.170 4.364 4.527 0.011 0.000 0.300 229 F C 1.993 177.687 175.800 -0.177 0.000 1.095 229 F CA 1.212 59.150 58.000 -0.102 0.000 1.249 229 F CB -0.737 38.201 39.000 -0.103 0.000 0.995 229 F HN 0.231 nan 8.300 nan 0.000 0.480 230 L N -0.758 120.153 121.223 -0.521 0.000 2.046 230 L HA -0.133 4.212 4.340 0.009 0.000 0.208 230 L C 1.615 177.984 176.870 -0.834 0.000 1.077 230 L CA 2.009 56.309 54.840 -0.900 0.000 0.747 230 L CB -1.016 40.500 42.059 -0.905 0.000 0.896 230 L HN 0.351 nan 8.230 nan 0.000 0.432 231 W N -0.757 120.418 121.300 -0.208 0.000 2.993 231 W HA 0.207 4.879 4.660 0.020 0.000 0.290 231 W C 0.851 177.277 176.519 -0.156 0.000 1.203 231 W CA 0.148 57.402 57.345 -0.150 0.000 1.582 231 W CB -0.247 29.170 29.460 -0.071 0.000 1.033 231 W HN 0.049 nan 8.180 nan 0.000 0.594 232 T N 0.538 115.109 114.554 0.027 0.000 2.867 232 T HA 0.145 4.500 4.350 0.009 0.000 0.297 232 T C -2.317 172.304 174.700 -0.131 0.000 0.989 232 T CA -1.516 60.567 62.100 -0.028 0.000 1.159 232 T CB 0.871 69.722 68.868 -0.029 0.000 0.928 232 T HN -0.276 nan 8.240 nan 0.000 0.538 233 P HA 0.307 nan 4.420 nan 0.000 0.275 233 P C -0.655 176.373 177.300 -0.454 0.000 1.228 233 P CA -0.231 62.574 63.100 -0.492 0.000 0.786 233 P CB 0.465 31.570 31.700 -0.991 0.000 0.927 234 D N 1.895 122.043 120.400 -0.421 0.000 2.434 234 D HA 0.207 4.853 4.640 0.009 0.000 0.275 234 D C 0.078 176.281 176.300 -0.162 0.000 1.172 234 D CA -0.489 53.378 54.000 -0.222 0.000 0.916 234 D CB -0.483 40.244 40.800 -0.122 0.000 1.041 234 D HN 0.129 nan 8.370 nan 0.000 0.501 235 F N 0.728 120.707 119.950 0.049 0.000 2.641 235 F HA -0.004 4.527 4.527 0.007 0.000 0.298 235 F C 2.127 177.973 175.800 0.077 0.000 1.146 235 F CA 0.324 58.362 58.000 0.065 0.000 1.464 235 F CB 0.219 39.258 39.000 0.065 0.000 1.101 235 F HN 0.306 nan 8.300 nan 0.000 0.585 236 E N 0.649 120.970 120.200 0.201 0.000 2.285 236 E HA -0.086 4.270 4.350 0.009 0.000 0.194 236 E C 1.841 178.526 176.600 0.142 0.000 0.997 236 E CA 0.734 57.229 56.400 0.158 0.000 0.845 236 E CB -0.025 29.742 29.700 0.113 0.000 0.782 236 E HN 0.173 nan 8.360 nan 0.000 0.491 237 K N -0.006 120.465 120.400 0.118 0.000 2.365 237 K HA -0.003 4.323 4.320 0.009 0.000 0.199 237 K C 1.806 178.507 176.600 0.169 0.000 1.045 237 K CA 0.432 56.787 56.287 0.113 0.000 0.962 237 K CB 0.052 32.588 32.500 0.061 0.000 0.759 237 K HN 0.260 nan 8.250 nan 0.000 0.469 238 L N 1.000 122.348 121.223 0.209 0.000 2.191 238 L HA -0.170 4.175 4.340 0.009 0.000 0.212 238 L C 2.167 179.306 176.870 0.448 0.000 1.103 238 L CA 1.160 56.196 54.840 0.328 0.000 0.769 238 L CB -0.436 41.835 42.059 0.353 0.000 0.908 238 L HN 0.148 nan 8.230 nan 0.000 0.438 239 K N -0.144 120.427 120.400 0.285 0.000 2.063 239 K HA -0.169 4.157 4.320 0.009 0.000 0.208 239 K C 0.762 177.497 176.600 0.226 0.000 1.048 239 K CA 0.769 57.188 56.287 0.220 0.000 0.928 239 K CB -0.285 32.306 32.500 0.150 0.000 0.713 239 K HN 0.188 nan 8.250 nan 0.000 0.442 240 D N 0.368 120.908 120.400 0.234 0.000 2.425 240 D HA 0.002 4.648 4.640 0.009 0.000 0.247 240 D C -1.927 174.571 176.300 0.329 0.000 1.147 240 D CA -1.954 52.178 54.000 0.220 0.000 0.879 240 D CB 1.368 42.274 40.800 0.177 0.000 1.179 240 D HN -0.141 nan 8.370 nan 0.000 0.456 241 P HA 0.030 nan 4.420 nan 0.000 0.219 241 P C 1.191 178.687 177.300 0.326 0.000 1.150 241 P CA 0.865 64.130 63.100 0.274 0.000 0.814 241 P CB 0.207 31.998 31.700 0.151 0.000 0.787 242 G N -0.539 108.417 108.800 0.260 0.000 2.534 242 G HA2 -0.131 3.835 3.960 0.009 0.000 0.217 242 G HA3 -0.131 3.835 3.960 0.009 0.000 0.217 242 G C 1.466 176.522 174.900 0.260 0.000 1.128 242 G CA 0.231 45.480 45.100 0.247 0.000 0.784 242 G HN 0.163 nan 8.290 nan 0.000 0.542 243 V N -0.734 119.343 119.914 0.273 0.000 2.591 243 V HA -0.058 4.068 4.120 0.009 0.000 0.249 243 V C 2.282 178.478 176.094 0.170 0.000 1.053 243 V CA 1.142 63.570 62.300 0.212 0.000 1.068 243 V CB -0.409 31.495 31.823 0.135 0.000 0.689 243 V HN 0.566 nan 8.190 nan 0.000 0.462 244 W N -0.832 120.585 121.300 0.196 0.000 2.476 244 W HA 0.032 4.697 4.660 0.008 0.000 0.281 244 W C 2.073 178.720 176.519 0.213 0.000 1.230 244 W CA 0.265 57.727 57.345 0.194 0.000 1.287 244 W CB -0.462 29.106 29.460 0.180 0.000 1.108 244 W HN 0.158 nan 8.180 nan 0.000 0.567 245 I N 0.768 121.582 120.570 0.408 0.000 2.179 245 I HA -0.244 3.932 4.170 0.009 0.000 0.242 245 I C 2.550 178.811 176.117 0.240 0.000 1.088 245 I CA 1.696 63.173 61.300 0.296 0.000 1.357 245 I CB -1.473 36.699 38.000 0.286 0.000 1.051 245 I HN -0.038 nan 8.210 nan 0.000 0.409 246 A N 0.225 123.203 122.820 0.264 0.000 1.908 246 A HA -0.183 4.142 4.320 0.009 0.000 0.218 246 A C 2.520 180.321 177.584 0.362 0.000 1.181 246 A CA 2.177 54.379 52.037 0.274 0.000 0.627 246 A CB -1.137 18.032 19.000 0.281 0.000 0.818 246 A HN 0.415 nan 8.150 nan 0.000 0.445 247 A N -0.768 122.248 122.820 0.327 0.000 1.873 247 A HA 0.028 4.353 4.320 0.009 0.000 0.215 247 A C 2.245 179.943 177.584 0.190 0.000 1.186 247 A CA 1.744 53.884 52.037 0.172 0.000 0.616 247 A CB -0.930 17.918 19.000 -0.254 0.000 0.823 247 A HN 0.391 nan 8.150 nan 0.000 0.442 248 V N -0.068 119.968 119.914 0.205 0.000 2.358 248 V HA -0.163 3.962 4.120 0.009 0.000 0.246 248 V C 2.806 179.036 176.094 0.227 0.000 1.047 248 V CA 1.954 64.373 62.300 0.198 0.000 1.035 248 V CB -1.363 30.625 31.823 0.275 0.000 0.658 248 V HN 0.616 nan 8.190 nan 0.000 0.452 249 G N -0.887 108.025 108.800 0.187 0.000 2.418 249 G HA2 -0.339 3.627 3.960 0.009 0.000 0.217 249 G HA3 -0.339 3.627 3.960 0.009 0.000 0.217 249 G C 1.520 176.601 174.900 0.302 0.000 1.158 249 G CA 1.045 46.237 45.100 0.154 0.000 0.771 249 G HN 0.496 nan 8.290 nan 0.000 0.545 250 Q N 0.308 120.310 119.800 0.337 0.000 2.084 250 Q HA -0.037 4.309 4.340 0.009 0.000 0.202 250 Q C 2.407 178.685 176.000 0.463 0.000 0.978 250 Q CA 0.957 57.028 55.803 0.447 0.000 0.844 250 Q CB -0.358 28.740 28.738 0.600 0.000 0.898 250 Q HN 0.376 nan 8.270 nan 0.000 0.426 251 I N -0.004 120.754 120.570 0.315 0.000 2.179 251 I HA -0.223 3.952 4.170 0.009 0.000 0.242 251 I C 2.041 178.288 176.117 0.217 0.000 1.088 251 I CA 1.168 62.566 61.300 0.163 0.000 1.357 251 I CB -1.178 36.825 38.000 0.005 0.000 1.051 251 I HN 0.226 nan 8.210 nan 0.000 0.409 252 F N 0.878 120.919 119.950 0.151 0.000 2.095 252 F HA -0.324 4.209 4.527 0.009 0.000 0.298 252 F C 2.572 178.530 175.800 0.264 0.000 1.104 252 F CA 1.965 60.070 58.000 0.175 0.000 1.232 252 F CB -0.545 38.556 39.000 0.169 0.000 0.987 252 F HN 0.009 nan 8.300 nan 0.000 0.475 253 F N -0.183 120.008 119.950 0.402 0.000 2.113 253 F HA -0.159 4.373 4.527 0.008 0.000 0.297 253 F C 2.655 178.525 175.800 0.117 0.000 1.103 253 F CA 2.084 60.263 58.000 0.298 0.000 1.248 253 F CB -1.114 38.048 39.000 0.270 0.000 0.999 253 F HN -0.111 nan 8.300 nan 0.000 0.475 254 T N 0.637 115.355 114.554 0.273 0.000 2.759 254 T HA -0.154 4.201 4.350 0.009 0.000 0.269 254 T C 1.847 176.504 174.700 -0.072 0.000 1.042 254 T CA 1.738 63.889 62.100 0.086 0.000 1.140 254 T CB -0.430 68.567 68.868 0.215 0.000 0.864 254 T HN 0.270 nan 8.240 nan 0.000 0.455 255 L N 0.632 121.830 121.223 -0.041 0.000 2.591 255 L HA 0.213 4.559 4.340 0.009 0.000 0.228 255 L C 1.024 177.798 176.870 -0.159 0.000 1.133 255 L CA 0.048 54.833 54.840 -0.091 0.000 0.880 255 L CB -0.098 41.909 42.059 -0.086 0.000 1.033 255 L HN 0.165 nan 8.230 nan 0.000 0.450 256 S N 0.506 116.070 115.700 -0.227 0.000 3.641 256 S HA -0.151 4.324 4.470 0.009 0.000 0.346 256 S C 0.351 174.965 174.600 0.024 0.000 1.074 256 S CA 0.306 58.321 58.200 -0.308 0.000 1.026 256 S CB -1.843 61.097 63.200 -0.433 0.000 0.908 256 S HN 0.295 nan 8.310 nan 0.000 0.479 257 L N 0.332 121.538 121.223 -0.028 0.000 2.417 257 L HA 0.525 4.871 4.340 0.009 0.000 0.268 257 L C 1.617 178.545 176.870 0.097 0.000 1.158 257 L CA 0.529 55.236 54.840 -0.221 0.000 0.819 257 L CB 0.418 41.962 42.059 -0.858 0.000 1.112 257 L HN 0.480 nan 8.230 nan 0.000 0.458 258 G N 1.636 110.532 108.800 0.160 0.000 2.179 258 G HA2 -0.323 3.642 3.960 0.009 0.000 0.260 258 G HA3 -0.323 3.642 3.960 0.009 0.000 0.260 258 G C 0.423 175.432 174.900 0.181 0.000 0.977 258 G CA 0.287 45.596 45.100 0.348 0.000 0.641 258 G HN 0.573 nan 8.290 nan 0.000 0.533 259 F N 0.394 120.390 119.950 0.076 0.000 2.749 259 F HA 0.406 4.938 4.527 0.009 0.000 0.300 259 F C 2.234 177.965 175.800 -0.114 0.000 1.103 259 F CA 1.167 59.141 58.000 -0.043 0.000 1.342 259 F CB 0.777 39.713 39.000 -0.107 0.000 1.098 259 F HN 0.671 nan 8.300 nan 0.000 0.586 260 G N 0.204 109.059 108.800 0.091 0.000 2.268 260 G HA2 -0.361 3.605 3.960 0.009 0.000 0.240 260 G HA3 -0.361 3.605 3.960 0.009 0.000 0.240 260 G C 1.376 176.248 174.900 -0.047 0.000 1.010 260 G CA 0.355 45.458 45.100 0.005 0.000 0.618 260 G HN 0.484 nan 8.290 nan 0.000 0.516 261 A N 0.471 123.226 122.820 -0.108 0.000 1.898 261 A HA 0.334 4.660 4.320 0.009 0.000 0.216 261 A C 2.353 179.752 177.584 -0.308 0.000 1.181 261 A CA 1.838 53.708 52.037 -0.277 0.000 0.620 261 A CB -0.370 18.377 19.000 -0.421 0.000 0.819 261 A HN 0.785 nan 8.150 nan 0.000 0.442 262 I N -0.311 120.130 120.570 -0.215 0.000 2.226 262 I HA -0.261 3.914 4.170 0.009 0.000 0.245 262 I C 2.309 178.321 176.117 -0.174 0.000 1.100 262 I CA 1.290 62.457 61.300 -0.222 0.000 1.374 262 I CB -0.370 37.542 38.000 -0.146 0.000 1.057 262 I HN 0.298 nan 8.210 nan 0.000 0.413 263 I N 0.368 120.894 120.570 -0.075 0.000 2.163 263 I HA -0.293 3.883 4.170 0.009 0.000 0.243 263 I C 2.563 178.664 176.117 -0.026 0.000 1.085 263 I CA 1.699 62.980 61.300 -0.031 0.000 1.347 263 I CB -0.539 37.483 38.000 0.035 0.000 1.044 263 I HN 0.245 nan 8.210 nan 0.000 0.408 264 T N -0.308 114.245 114.554 -0.002 0.000 2.777 264 T HA -0.165 4.191 4.350 0.009 0.000 0.266 264 T C 1.839 176.649 174.700 0.185 0.000 1.040 264 T CA 1.175 63.298 62.100 0.040 0.000 1.141 264 T CB -0.277 68.648 68.868 0.094 0.000 0.868 264 T HN 0.159 nan 8.240 nan 0.000 0.444 265 Y N 1.655 122.010 120.300 0.091 0.000 2.145 265 Y HA 0.019 4.575 4.550 0.009 0.000 0.286 265 Y C 2.765 178.817 175.900 0.254 0.000 1.145 265 Y CA 0.158 58.449 58.100 0.319 0.000 1.148 265 Y CB -1.276 37.277 38.460 0.155 0.000 0.981 265 Y HN 0.204 nan 8.280 nan 0.000 0.507 266 A N -0.482 122.362 122.820 0.040 0.000 2.076 266 A HA -0.176 4.150 4.320 0.009 0.000 0.220 266 A C 2.405 180.006 177.584 0.029 0.000 1.160 266 A CA 1.784 53.769 52.037 -0.088 0.000 0.653 266 A CB -0.976 17.879 19.000 -0.242 0.000 0.801 266 A HN 0.482 nan 8.150 nan 0.000 0.455 267 S N -1.579 114.057 115.700 -0.106 0.000 2.515 267 S HA -0.081 4.395 4.470 0.009 0.000 0.231 267 S C 1.208 175.556 174.600 -0.421 0.000 0.987 267 S CA 0.864 58.893 58.200 -0.285 0.000 0.936 267 S CB -0.664 62.276 63.200 -0.434 0.000 0.766 267 S HN 0.601 nan 8.310 nan 0.000 0.528 268 Y N 1.032 121.377 120.300 0.075 0.000 2.457 268 Y HA 0.476 5.032 4.550 0.009 0.000 0.263 268 Y C 0.653 176.733 175.900 0.301 0.000 1.164 268 Y CA -0.840 57.234 58.100 -0.044 0.000 1.274 268 Y CB -0.141 37.987 38.460 -0.554 0.000 1.097 268 Y HN 0.071 nan 8.280 nan 0.000 0.523 269 V N 2.294 122.489 119.914 0.468 0.000 2.614 269 V HA 0.115 4.241 4.120 0.009 0.000 0.291 269 V C 0.635 176.892 176.094 0.271 0.000 1.049 269 V CA -0.888 61.661 62.300 0.415 0.000 1.038 269 V CB 0.669 32.682 31.823 0.318 0.000 0.980 269 V HN 0.272 nan 8.190 nan 0.000 0.481 270 R N 3.163 123.747 120.500 0.140 0.000 2.774 270 R HA 0.261 4.606 4.340 0.009 0.000 0.269 270 R C 1.719 178.043 176.300 0.039 0.000 1.068 270 R CA 0.301 56.382 56.100 -0.033 0.000 1.180 270 R CB 0.140 30.318 30.300 -0.205 0.000 1.077 270 R HN 0.786 nan 8.270 nan 0.000 0.513 271 K N 1.373 121.783 120.400 0.017 0.000 2.074 271 K HA -0.187 4.139 4.320 0.009 0.000 0.209 271 K C 0.937 177.567 176.600 0.049 0.000 1.048 271 K CA 2.288 58.599 56.287 0.041 0.000 0.926 271 K CB -0.449 32.062 32.500 0.019 0.000 0.713 271 K HN 0.667 nan 8.250 nan 0.000 0.444 272 D N -1.126 119.289 120.400 0.026 0.000 2.433 272 D HA 0.056 4.702 4.640 0.009 0.000 0.211 272 D C 0.218 176.531 176.300 0.020 0.000 1.114 272 D CA -0.190 53.823 54.000 0.021 0.000 0.837 272 D CB 0.298 41.101 40.800 0.005 0.000 0.984 272 D HN 0.695 nan 8.370 nan 0.000 0.505 273 Q N 2.107 121.928 119.800 0.035 0.000 2.337 273 Q HA -0.020 4.325 4.340 0.009 0.000 0.270 273 Q C 0.160 176.199 176.000 0.066 0.000 1.002 273 Q CA -0.257 55.575 55.803 0.047 0.000 0.888 273 Q CB 0.932 29.711 28.738 0.070 0.000 1.222 273 Q HN 0.060 nan 8.270 nan 0.000 0.400 274 D N 3.789 124.210 120.400 0.035 0.000 2.506 274 D HA -0.098 4.548 4.640 0.009 0.000 0.234 274 D C 0.557 176.888 176.300 0.052 0.000 1.143 274 D CA 0.601 54.604 54.000 0.004 0.000 0.871 274 D CB 0.516 41.296 40.800 -0.032 0.000 1.190 274 D HN 0.707 nan 8.370 nan 0.000 0.459 275 I N 0.214 120.777 120.570 -0.012 0.000 4.592 275 I HA 0.014 4.190 4.170 0.009 0.000 0.329 275 I C 1.475 177.397 176.117 -0.326 0.000 1.309 275 I CA -0.524 60.750 61.300 -0.044 0.000 1.243 275 I CB 0.199 38.355 38.000 0.260 0.000 1.241 275 I HN 0.167 nan 8.210 nan 0.000 0.434 276 V N 1.798 121.534 119.914 -0.296 0.000 2.244 276 V HA -0.216 3.909 4.120 0.009 0.000 0.244 276 V C 2.485 178.513 176.094 -0.110 0.000 1.042 276 V CA 2.340 64.400 62.300 -0.401 0.000 1.006 276 V CB -0.415 31.084 31.823 -0.540 0.000 0.641 276 V HN 0.488 nan 8.190 nan 0.000 0.446 277 L N -0.204 120.933 121.223 -0.144 0.000 2.095 277 L HA -0.031 4.315 4.340 0.009 0.000 0.204 277 L C 2.493 179.277 176.870 -0.142 0.000 1.080 277 L CA 1.903 56.691 54.840 -0.087 0.000 0.759 277 L CB -0.596 41.419 42.059 -0.074 0.000 0.914 277 L HN 0.258 nan 8.230 nan 0.000 0.439 278 S N 0.049 115.624 115.700 -0.208 0.000 2.359 278 S HA -0.140 4.335 4.470 0.009 0.000 0.224 278 S C 1.912 176.212 174.600 -0.499 0.000 1.035 278 S CA 1.247 59.304 58.200 -0.239 0.000 1.018 278 S CB -1.165 61.973 63.200 -0.103 0.000 0.876 278 S HN 0.688 nan 8.310 nan 0.000 0.448 279 G N 1.830 109.976 108.800 -1.090 0.000 2.433 279 G HA2 -0.177 3.788 3.960 0.009 0.000 0.216 279 G HA3 -0.177 3.788 3.960 0.009 0.000 0.216 279 G C 1.385 175.970 174.900 -0.524 0.000 1.186 279 G CA 0.949 45.270 45.100 -1.297 0.000 0.779 279 G HN 0.393 nan 8.290 nan 0.000 0.543 280 L N 1.095 122.135 121.223 -0.305 0.000 2.013 280 L HA -0.090 4.256 4.340 0.009 0.000 0.212 280 L C 2.921 179.718 176.870 -0.122 0.000 1.073 280 L CA 2.693 57.412 54.840 -0.201 0.000 0.753 280 L CB -1.035 41.027 42.059 0.005 0.000 0.890 280 L HN 0.221 nan 8.230 nan 0.000 0.432 281 T N -0.400 114.090 114.554 -0.107 0.000 2.821 281 T HA -0.115 4.241 4.350 0.009 0.000 0.267 281 T C 1.876 176.545 174.700 -0.052 0.000 1.046 281 T CA 1.217 63.278 62.100 -0.066 0.000 1.139 281 T CB -0.462 68.369 68.868 -0.062 0.000 0.871 281 T HN 0.527 nan 8.240 nan 0.000 0.454 282 A N 1.354 124.149 122.820 -0.041 0.000 1.930 282 A HA 0.236 4.562 4.320 0.009 0.000 0.217 282 A C 2.627 180.212 177.584 0.001 0.000 1.175 282 A CA 1.651 53.696 52.037 0.014 0.000 0.627 282 A CB -1.003 18.083 19.000 0.143 0.000 0.815 282 A HN 0.491 nan 8.150 nan 0.000 0.443 283 A N -0.855 121.953 122.820 -0.020 0.000 1.902 283 A HA -0.084 4.242 4.320 0.009 0.000 0.217 283 A C 2.299 179.912 177.584 0.047 0.000 1.181 283 A CA 2.279 54.332 52.037 0.027 0.000 0.623 283 A CB -1.263 17.730 19.000 -0.010 0.000 0.818 283 A HN 0.418 nan 8.150 nan 0.000 0.443 284 T N 0.590 115.158 114.554 0.022 0.000 2.746 284 T HA -0.079 4.276 4.350 0.009 0.000 0.267 284 T C 1.806 176.464 174.700 -0.070 0.000 1.039 284 T CA 1.375 63.460 62.100 -0.026 0.000 1.142 284 T CB -0.394 68.462 68.868 -0.021 0.000 0.866 284 T HN 0.361 nan 8.240 nan 0.000 0.444 285 L N 1.190 122.377 121.223 -0.059 0.000 2.012 285 L HA -0.170 4.176 4.340 0.009 0.000 0.210 285 L C 2.633 179.458 176.870 -0.074 0.000 1.073 285 L CA 1.570 56.367 54.840 -0.071 0.000 0.748 285 L CB -0.647 41.373 42.059 -0.065 0.000 0.891 285 L HN 0.319 nan 8.230 nan 0.000 0.431 286 N N -0.244 118.415 118.700 -0.067 0.000 2.120 286 N HA -0.217 4.529 4.740 0.009 0.000 0.188 286 N C 1.804 177.233 175.510 -0.134 0.000 1.024 286 N CA 1.235 54.233 53.050 -0.086 0.000 0.852 286 N CB 0.102 38.552 38.487 -0.061 0.000 1.003 286 N HN 0.164 nan 8.380 nan 0.000 0.424 287 E N 0.656 120.760 120.200 -0.160 0.000 2.077 287 E HA -0.153 4.203 4.350 0.009 0.000 0.193 287 E C 1.849 178.323 176.600 -0.211 0.000 0.989 287 E CA 1.004 57.260 56.400 -0.241 0.000 0.800 287 E CB -0.211 29.242 29.700 -0.411 0.000 0.746 287 E HN 0.507 nan 8.360 nan 0.000 0.452 288 K N 0.636 120.944 120.400 -0.152 0.000 2.026 288 K HA -0.059 4.267 4.320 0.009 0.000 0.208 288 K C 2.167 178.716 176.600 -0.085 0.000 1.048 288 K CA 1.270 57.495 56.287 -0.104 0.000 0.929 288 K CB -0.175 32.285 32.500 -0.066 0.000 0.713 288 K HN 0.064 nan 8.250 nan 0.000 0.439 289 A N 1.266 124.033 122.820 -0.088 0.000 1.933 289 A HA -0.243 4.083 4.320 0.009 0.000 0.218 289 A C 2.072 179.507 177.584 -0.249 0.000 1.175 289 A CA 1.830 53.815 52.037 -0.086 0.000 0.628 289 A CB -0.408 18.547 19.000 -0.075 0.000 0.814 289 A HN 0.419 nan 8.150 nan 0.000 0.444 290 E N -0.425 119.593 120.200 -0.304 0.000 2.008 290 E HA -0.118 4.238 4.350 0.009 0.000 0.191 290 E C 1.974 178.273 176.600 -0.502 0.000 0.986 290 E CA 1.680 57.820 56.400 -0.433 0.000 0.807 290 E CB -0.251 29.193 29.700 -0.426 0.000 0.766 290 E HN 0.370 nan 8.360 nan 0.000 0.450 291 V N 0.105 119.729 119.914 -0.484 0.000 2.488 291 V HA -0.094 4.032 4.120 0.009 0.000 0.246 291 V C 1.938 178.041 176.094 0.015 0.000 1.046 291 V CA 1.047 63.146 62.300 -0.335 0.000 1.053 291 V CB -0.268 31.383 31.823 -0.286 0.000 0.679 291 V HN 0.287 nan 8.190 nan 0.000 0.458 292 I N 0.099 120.657 120.570 -0.020 0.000 2.235 292 I HA -0.031 4.145 4.170 0.009 0.000 0.241 292 I C 2.427 178.622 176.117 0.131 0.000 1.085 292 I CA 1.622 62.959 61.300 0.062 0.000 1.378 292 I CB -1.229 36.792 38.000 0.035 0.000 1.076 292 I HN 0.289 nan 8.210 nan 0.000 0.415 293 L N 0.059 121.350 121.223 0.113 0.000 2.071 293 L HA 0.080 4.425 4.340 0.009 0.000 0.201 293 L C 2.633 179.672 176.870 0.281 0.000 1.076 293 L CA 1.283 56.240 54.840 0.195 0.000 0.755 293 L CB -1.346 40.879 42.059 0.277 0.000 0.915 293 L HN 0.239 nan 8.230 nan 0.000 0.445 294 G N -0.018 108.889 108.800 0.179 0.000 2.442 294 G HA2 -0.200 3.766 3.960 0.009 0.000 0.219 294 G HA3 -0.200 3.766 3.960 0.009 0.000 0.219 294 G C 1.548 176.647 174.900 0.332 0.000 1.141 294 G CA 0.764 46.011 45.100 0.246 0.000 0.763 294 G HN 0.496 nan 8.290 nan 0.000 0.554 295 G N -0.125 108.894 108.800 0.365 0.000 2.534 295 G HA2 0.057 4.023 3.960 0.009 0.000 0.217 295 G HA3 0.057 4.023 3.960 0.009 0.000 0.217 295 G C 1.740 176.878 174.900 0.397 0.000 1.128 295 G CA 1.177 46.566 45.100 0.481 0.000 0.784 295 G HN 0.428 nan 8.290 nan 0.000 0.542 296 S N -0.549 115.370 115.700 0.365 0.000 2.511 296 S HA 0.299 4.775 4.470 0.009 0.000 0.214 296 S C 1.783 176.566 174.600 0.304 0.000 0.997 296 S CA -0.303 58.136 58.200 0.399 0.000 0.908 296 S CB 0.268 63.659 63.200 0.318 0.000 0.803 296 S HN 0.343 nan 8.310 nan 0.000 0.504 297 I N 1.129 121.835 120.570 0.226 0.000 3.313 297 I HA -0.021 4.154 4.170 0.009 0.000 0.233 297 I C 2.607 178.747 176.117 0.038 0.000 1.050 297 I CA 0.808 62.189 61.300 0.134 0.000 1.499 297 I CB -0.624 37.485 38.000 0.182 0.000 1.373 297 I HN 0.276 nan 8.210 nan 0.000 0.458 298 S N 1.678 117.390 115.700 0.020 0.000 2.356 298 S HA -0.130 4.345 4.470 0.009 0.000 0.223 298 S C 2.053 176.601 174.600 -0.087 0.000 1.032 298 S CA 1.038 59.152 58.200 -0.143 0.000 1.005 298 S CB -0.621 62.546 63.200 -0.055 0.000 0.867 298 S HN 0.242 nan 8.310 nan 0.000 0.449 299 I N 3.063 123.630 120.570 -0.005 0.000 2.193 299 I HA 0.029 4.205 4.170 0.009 0.000 0.240 299 I C -0.630 175.502 176.117 0.026 0.000 1.084 299 I CA 0.526 61.828 61.300 0.003 0.000 1.365 299 I CB -2.587 35.412 38.000 -0.003 0.000 1.064 299 I HN 0.231 nan 8.210 nan 0.000 0.410 300 P HA -0.138 nan 4.420 nan 0.000 0.216 300 P C 1.673 179.000 177.300 0.045 0.000 1.150 300 P CA 1.980 65.126 63.100 0.075 0.000 0.843 300 P CB 0.014 31.811 31.700 0.161 0.000 0.787 301 A N 0.020 122.845 122.820 0.008 0.000 1.858 301 A HA -0.112 4.213 4.320 0.009 0.000 0.216 301 A C 2.349 179.911 177.584 -0.037 0.000 1.190 301 A CA 2.198 54.209 52.037 -0.043 0.000 0.617 301 A CB -1.626 17.280 19.000 -0.157 0.000 0.827 301 A HN 0.194 nan 8.150 nan 0.000 0.443 302 A N -0.697 122.099 122.820 -0.040 0.000 1.902 302 A HA 0.014 4.340 4.320 0.009 0.000 0.217 302 A C 2.198 179.879 177.584 0.162 0.000 1.181 302 A CA 1.860 53.945 52.037 0.079 0.000 0.623 302 A CB -0.825 18.186 19.000 0.017 0.000 0.818 302 A HN 0.421 nan 8.150 nan 0.000 0.443 303 V N -0.336 119.606 119.914 0.047 0.000 2.488 303 V HA -0.135 3.991 4.120 0.009 0.000 0.246 303 V C 2.988 179.085 176.094 0.005 0.000 1.046 303 V CA 1.493 63.793 62.300 -0.000 0.000 1.053 303 V CB -1.151 30.637 31.823 -0.059 0.000 0.679 303 V HN 0.594 nan 8.190 nan 0.000 0.458 304 A N -0.265 122.564 122.820 0.015 0.000 1.908 304 A HA -0.259 4.066 4.320 0.009 0.000 0.218 304 A C 2.122 179.685 177.584 -0.035 0.000 1.181 304 A CA 2.242 54.275 52.037 -0.005 0.000 0.627 304 A CB -0.638 18.372 19.000 0.017 0.000 0.818 304 A HN 0.539 nan 8.150 nan 0.000 0.445 305 F N -1.739 118.100 119.950 -0.185 0.000 2.219 305 F HA 0.125 4.657 4.527 0.009 0.000 0.294 305 F C 1.587 177.126 175.800 -0.435 0.000 1.086 305 F CA 1.135 58.921 58.000 -0.357 0.000 1.330 305 F CB 0.133 38.809 39.000 -0.540 0.000 1.047 305 F HN 0.167 nan 8.300 nan 0.000 0.495 306 F N 0.644 120.624 119.950 0.050 0.000 2.714 306 F HA 0.409 4.941 4.527 0.009 0.000 0.294 306 F C 1.118 176.847 175.800 -0.119 0.000 1.120 306 F CA 0.617 58.596 58.000 -0.035 0.000 1.398 306 F CB -0.251 38.758 39.000 0.015 0.000 1.120 306 F HN 0.038 nan 8.300 nan 0.000 0.589 307 G N 0.344 109.155 108.800 0.018 0.000 2.721 307 G HA2 -0.190 3.776 3.960 0.009 0.000 0.686 307 G HA3 -0.190 3.776 3.960 0.009 0.000 0.686 307 G C 0.459 175.299 174.900 -0.100 0.000 1.236 307 G CA -0.394 44.673 45.100 -0.055 0.000 0.786 307 G HN 0.127 nan 8.290 nan 0.000 0.616 308 V N 1.851 121.683 119.914 -0.136 0.000 2.660 308 V HA -0.047 4.079 4.120 0.009 0.000 0.257 308 V C 2.994 178.953 176.094 -0.225 0.000 1.088 308 V CA 3.470 65.630 62.300 -0.232 0.000 1.106 308 V CB -0.895 30.850 31.823 -0.131 0.000 0.686 308 V HN 2.227 nan 8.190 nan 0.000 0.481 309 A N 0.378 123.117 122.820 -0.134 0.000 1.948 309 A HA -0.221 4.105 4.320 0.009 0.000 0.220 309 A C 1.848 179.352 177.584 -0.133 0.000 1.177 309 A CA 2.177 54.150 52.037 -0.107 0.000 0.636 309 A CB -0.502 18.458 19.000 -0.067 0.000 0.815 309 A HN 0.706 nan 8.150 nan 0.000 0.449 310 N N -0.798 117.812 118.700 -0.151 0.000 2.203 310 N HA 0.266 5.012 4.740 0.009 0.000 0.207 310 N C 1.486 176.834 175.510 -0.270 0.000 1.130 310 N CA 0.737 53.683 53.050 -0.172 0.000 0.861 310 N CB 0.179 38.583 38.487 -0.138 0.000 1.005 310 N HN 0.434 nan 8.380 nan 0.000 0.507 311 A N 0.964 123.519 122.820 -0.442 0.000 1.884 311 A HA -0.152 4.174 4.320 0.009 0.000 0.219 311 A C 2.343 179.615 177.584 -0.519 0.000 1.197 311 A CA 1.614 53.162 52.037 -0.815 0.000 0.637 311 A CB -0.818 17.003 19.000 -1.965 0.000 0.827 311 A HN 0.077 nan 8.150 nan 0.000 0.450 312 V N -0.326 119.393 119.914 -0.325 0.000 2.237 312 V HA -0.258 3.868 4.120 0.009 0.000 0.245 312 V C 3.103 179.157 176.094 -0.065 0.000 1.046 312 V CA 2.161 64.430 62.300 -0.051 0.000 1.007 312 V CB -1.293 30.529 31.823 -0.003 0.000 0.638 312 V HN 0.665 nan 8.190 nan 0.000 0.445 313 A N -0.373 122.386 122.820 -0.102 0.000 1.948 313 A HA -0.235 4.091 4.320 0.009 0.000 0.220 313 A C 2.163 179.683 177.584 -0.106 0.000 1.177 313 A CA 2.221 54.202 52.037 -0.093 0.000 0.636 313 A CB -0.633 18.303 19.000 -0.107 0.000 0.815 313 A HN 0.544 nan 8.150 nan 0.000 0.449 314 I N -0.508 119.973 120.570 -0.149 0.000 2.252 314 I HA -0.266 3.909 4.170 0.009 0.000 0.245 314 I C 2.975 179.045 176.117 -0.079 0.000 1.102 314 I CA 1.021 62.232 61.300 -0.150 0.000 1.385 314 I CB -0.323 37.562 38.000 -0.192 0.000 1.064 314 I HN 0.363 nan 8.210 nan 0.000 0.414 315 A N 0.691 123.486 122.820 -0.041 0.000 1.902 315 A HA -0.227 4.099 4.320 0.009 0.000 0.217 315 A C 2.292 179.863 177.584 -0.021 0.000 1.181 315 A CA 1.645 53.677 52.037 -0.009 0.000 0.623 315 A CB -0.441 18.590 19.000 0.050 0.000 0.818 315 A HN 0.323 nan 8.150 nan 0.000 0.443 316 K N -0.400 119.988 120.400 -0.021 0.000 2.211 316 K HA 0.036 4.361 4.320 0.009 0.000 0.203 316 K C 2.022 178.621 176.600 -0.002 0.000 1.050 316 K CA 0.843 57.122 56.287 -0.014 0.000 0.945 316 K CB -0.238 32.254 32.500 -0.014 0.000 0.732 316 K HN 0.438 nan 8.250 nan 0.000 0.451 317 A N 1.325 124.138 122.820 -0.011 0.000 2.172 317 A HA 0.125 4.450 4.320 0.009 0.000 0.216 317 A C 0.899 178.514 177.584 0.052 0.000 1.154 317 A CA 1.060 53.103 52.037 0.010 0.000 0.701 317 A CB -0.512 18.474 19.000 -0.022 0.000 0.789 317 A HN 0.404 nan 8.150 nan 0.000 0.465 318 G N -3.209 105.618 108.800 0.045 0.000 2.699 318 G HA2 0.261 4.227 3.960 0.009 0.000 0.686 318 G HA3 0.261 4.227 3.960 0.009 0.000 0.686 318 G C 0.723 175.697 174.900 0.123 0.000 1.301 318 G CA -0.079 45.071 45.100 0.085 0.000 0.816 318 G HN 1.300 nan 8.290 nan 0.000 0.595 319 A N -0.068 122.846 122.820 0.157 0.000 1.902 319 A HA 0.202 4.527 4.320 0.009 0.000 0.217 319 A C 2.214 179.994 177.584 0.326 0.000 1.181 319 A CA 2.688 54.852 52.037 0.213 0.000 0.623 319 A CB -0.423 18.707 19.000 0.216 0.000 0.818 319 A HN 1.724 nan 8.150 nan 0.000 0.443 320 F N 1.372 121.460 119.950 0.230 0.000 2.113 320 F HA -0.161 4.371 4.527 0.009 0.000 0.297 320 F C 1.894 177.888 175.800 0.323 0.000 1.103 320 F CA 2.054 60.242 58.000 0.313 0.000 1.248 320 F CB -0.435 38.690 39.000 0.208 0.000 0.999 320 F HN 0.218 nan 8.300 nan 0.000 0.475 321 N N 0.537 119.320 118.700 0.138 0.000 2.166 321 N HA -0.177 4.568 4.740 0.009 0.000 0.186 321 N C 1.777 177.273 175.510 -0.023 0.000 1.019 321 N CA 1.383 54.431 53.050 -0.002 0.000 0.856 321 N CB -0.643 37.889 38.487 0.077 0.000 0.993 321 N HN 0.350 nan 8.380 nan 0.000 0.426 322 L N 0.053 121.293 121.223 0.027 0.000 2.046 322 L HA 0.032 4.378 4.340 0.009 0.000 0.208 322 L C 1.882 178.730 176.870 -0.036 0.000 1.077 322 L CA 1.838 56.666 54.840 -0.020 0.000 0.747 322 L CB -0.994 41.077 42.059 0.021 0.000 0.896 322 L HN 0.185 nan 8.230 nan 0.000 0.432 323 G N -2.446 106.420 108.800 0.111 0.000 2.539 323 G HA2 -0.132 3.834 3.960 0.009 0.000 0.215 323 G HA3 -0.132 3.834 3.960 0.009 0.000 0.215 323 G C 1.113 176.035 174.900 0.036 0.000 1.141 323 G CA 0.405 45.616 45.100 0.185 0.000 0.806 323 G HN 0.420 nan 8.290 nan 0.000 0.533 324 F N -0.663 119.288 119.950 0.002 0.000 2.724 324 F HA 0.472 5.005 4.527 0.009 0.000 0.306 324 F C 1.879 177.732 175.800 0.090 0.000 1.100 324 F CA -0.085 57.922 58.000 0.012 0.000 1.255 324 F CB 0.604 39.298 39.000 -0.509 0.000 1.072 324 F HN 0.029 nan 8.300 nan 0.000 0.589 325 I N -2.088 118.549 120.570 0.111 0.000 3.650 325 I HA -0.045 4.131 4.170 0.009 0.000 0.261 325 I C 1.921 178.011 176.117 -0.045 0.000 1.154 325 I CA 0.533 61.905 61.300 0.121 0.000 1.418 325 I CB -0.427 37.611 38.000 0.064 0.000 1.539 325 I HN -0.217 nan 8.210 nan 0.000 0.449 326 T N 2.020 116.500 114.554 -0.124 0.000 2.737 326 T HA -0.083 4.273 4.350 0.009 0.000 0.265 326 T C 1.895 176.357 174.700 -0.397 0.000 1.038 326 T CA 1.384 63.365 62.100 -0.197 0.000 1.144 326 T CB -0.155 68.607 68.868 -0.176 0.000 0.866 326 T HN 0.005 nan 8.240 nan 0.000 0.434 327 L N 1.129 122.020 121.223 -0.554 0.000 2.027 327 L HA 0.051 4.396 4.340 0.009 0.000 0.206 327 L C -0.734 175.316 176.870 -1.368 0.000 1.074 327 L CA 1.807 55.976 54.840 -1.119 0.000 0.745 327 L CB -1.553 39.685 42.059 -1.368 0.000 0.898 327 L HN 0.128 nan 8.230 nan 0.000 0.433 328 P HA -0.275 nan 4.420 nan 0.000 0.217 328 P C 1.564 178.324 177.300 -0.900 0.000 1.162 328 P CA 2.332 65.276 63.100 -0.261 0.000 0.901 328 P CB -0.119 31.726 31.700 0.242 0.000 0.793 329 A N -0.970 121.129 122.820 -1.201 0.000 1.883 329 A HA -0.209 4.117 4.320 0.009 0.000 0.217 329 A C 2.281 179.358 177.584 -0.845 0.000 1.186 329 A CA 1.786 53.087 52.037 -1.226 0.000 0.624 329 A CB -1.693 16.970 19.000 -0.561 0.000 0.822 329 A HN 0.123 nan 8.150 nan 0.000 0.444 330 I N -1.331 118.689 120.570 -0.917 0.000 2.208 330 I HA -0.263 3.913 4.170 0.009 0.000 0.245 330 I C 2.123 177.834 176.117 -0.676 0.000 1.097 330 I CA 1.243 61.859 61.300 -1.139 0.000 1.363 330 I CB -0.404 36.986 38.000 -1.016 0.000 1.051 330 I HN 0.289 nan 8.210 nan 0.000 0.413 331 F N 0.901 120.589 119.950 -0.436 0.000 2.216 331 F HA -0.196 4.336 4.527 0.009 0.000 0.300 331 F C 2.870 178.610 175.800 -0.100 0.000 1.085 331 F CA 1.266 59.133 58.000 -0.223 0.000 1.326 331 F CB -1.485 37.419 39.000 -0.161 0.000 1.027 331 F HN 0.160 nan 8.300 nan 0.000 0.497 332 S N -1.004 114.698 115.700 0.004 0.000 2.603 332 S HA -0.065 4.410 4.470 0.009 0.000 0.229 332 S C 1.311 175.940 174.600 0.049 0.000 0.972 332 S CA 0.515 58.778 58.200 0.104 0.000 0.935 332 S CB -0.172 63.163 63.200 0.225 0.000 0.769 332 S HN 0.364 nan 8.310 nan 0.000 0.536 333 Q N 1.214 120.989 119.800 -0.041 0.000 2.149 333 Q HA 0.235 4.581 4.340 0.009 0.000 0.221 333 Q C 0.166 176.225 176.000 0.098 0.000 0.807 333 Q CA 0.356 56.182 55.803 0.038 0.000 1.000 333 Q CB 1.241 30.012 28.738 0.055 0.000 1.157 333 Q HN 0.788 nan 8.270 nan 0.000 0.487 334 T N -3.013 111.585 114.554 0.074 0.000 2.916 334 T HA 0.778 5.134 4.350 0.009 0.000 0.292 334 T C -0.195 174.560 174.700 0.093 0.000 1.055 334 T CA -0.779 61.377 62.100 0.094 0.000 1.009 334 T CB 2.167 71.092 68.868 0.095 0.000 1.118 334 T HN 0.075 nan 8.240 nan 0.000 0.497 335 A N 0.489 123.357 122.820 0.079 0.000 2.524 335 A HA 0.541 4.867 4.320 0.009 0.000 0.250 335 A C 1.640 179.278 177.584 0.091 0.000 1.078 335 A CA 0.314 52.394 52.037 0.072 0.000 0.761 335 A CB -1.435 17.597 19.000 0.053 0.000 1.012 335 A HN 2.440 nan 8.150 nan 0.000 0.500 336 G N 1.752 110.612 108.800 0.100 0.000 2.153 336 G HA2 -0.165 3.801 3.960 0.009 0.000 0.252 336 G HA3 -0.165 3.801 3.960 0.009 0.000 0.252 336 G C 1.171 176.180 174.900 0.180 0.000 0.994 336 G CA 0.887 46.070 45.100 0.138 0.000 0.698 336 G HN 1.842 nan 8.290 nan 0.000 0.521 337 G N -0.808 108.085 108.800 0.154 0.000 2.443 337 G HA2 0.046 4.011 3.960 0.009 0.000 0.219 337 G HA3 0.046 4.011 3.960 0.009 0.000 0.219 337 G C 1.566 176.584 174.900 0.196 0.000 1.131 337 G CA 2.147 47.339 45.100 0.152 0.000 0.775 337 G HN 0.571 nan 8.290 nan 0.000 0.547 338 T N 0.424 115.146 114.554 0.279 0.000 2.812 338 T HA -0.065 4.291 4.350 0.009 0.000 0.264 338 T C 1.871 176.818 174.700 0.412 0.000 1.042 338 T CA 0.859 63.210 62.100 0.417 0.000 1.140 338 T CB -0.227 68.804 68.868 0.271 0.000 0.870 338 T HN 0.265 nan 8.240 nan 0.000 0.445 339 F N 1.293 121.346 119.950 0.171 0.000 2.259 339 F HA 0.154 4.687 4.527 0.009 0.000 0.298 339 F C 1.928 177.812 175.800 0.140 0.000 1.088 339 F CA 0.536 58.643 58.000 0.178 0.000 1.358 339 F CB -0.312 38.753 39.000 0.107 0.000 1.040 339 F HN 0.025 nan 8.300 nan 0.000 0.505 340 L N -0.175 121.056 121.223 0.014 0.000 2.083 340 L HA -0.122 4.223 4.340 0.009 0.000 0.209 340 L C 2.452 178.893 176.870 -0.714 0.000 1.083 340 L CA 1.811 56.460 54.840 -0.318 0.000 0.752 340 L CB -1.366 40.457 42.059 -0.394 0.000 0.899 340 L HN 0.362 nan 8.230 nan 0.000 0.433 341 G N -0.383 108.016 108.800 -0.668 0.000 2.418 341 G HA2 -0.373 3.593 3.960 0.009 0.000 0.217 341 G HA3 -0.373 3.593 3.960 0.009 0.000 0.217 341 G C 1.423 176.166 174.900 -0.261 0.000 1.158 341 G CA 0.794 45.440 45.100 -0.756 0.000 0.771 341 G HN 0.444 nan 8.290 nan 0.000 0.545 342 F N 1.524 121.404 119.950 -0.117 0.000 2.091 342 F HA -0.077 4.456 4.527 0.010 0.000 0.299 342 F C 2.398 178.122 175.800 -0.126 0.000 1.103 342 F CA 1.414 59.399 58.000 -0.026 0.000 1.228 342 F CB -0.432 38.493 39.000 -0.124 0.000 0.984 342 F HN 0.063 nan 8.300 nan 0.000 0.477 343 L N -0.441 120.394 121.223 -0.647 0.000 2.042 343 L HA -0.273 4.073 4.340 0.009 0.000 0.210 343 L C 2.625 179.216 176.870 -0.464 0.000 1.076 343 L CA 1.809 56.254 54.840 -0.659 0.000 0.749 343 L CB -1.135 40.647 42.059 -0.462 0.000 0.893 343 L HN 0.574 nan 8.230 nan 0.000 0.432 344 W N 0.887 121.821 121.300 -0.611 0.000 2.355 344 W HA -0.258 4.407 4.660 0.008 0.000 0.309 344 W C 2.140 178.307 176.519 -0.588 0.000 1.206 344 W CA 1.330 58.301 57.345 -0.623 0.000 1.284 344 W CB -0.373 28.667 29.460 -0.699 0.000 1.145 344 W HN 0.052 nan 8.180 nan 0.000 0.502 345 F N -0.092 119.627 119.950 -0.386 0.000 2.259 345 F HA -0.137 4.396 4.527 0.010 0.000 0.298 345 F C 2.302 177.988 175.800 -0.191 0.000 1.088 345 F CA 1.209 58.995 58.000 -0.357 0.000 1.358 345 F CB -1.532 37.438 39.000 -0.049 0.000 1.040 345 F HN -0.162 nan 8.300 nan 0.000 0.505 346 F N 0.744 120.483 119.950 -0.352 0.000 2.134 346 F HA -0.179 4.355 4.527 0.011 0.000 0.299 346 F C 2.150 177.757 175.800 -0.322 0.000 1.097 346 F CA 1.095 58.861 58.000 -0.389 0.000 1.264 346 F CB -1.042 37.423 39.000 -0.892 0.000 1.001 346 F HN 0.012 nan 8.300 nan 0.000 0.479 347 L N 0.375 121.275 121.223 -0.538 0.000 2.012 347 L HA -0.217 4.129 4.340 0.009 0.000 0.210 347 L C 2.279 178.890 176.870 -0.432 0.000 1.073 347 L CA 1.887 56.352 54.840 -0.626 0.000 0.748 347 L CB -0.876 40.722 42.059 -0.767 0.000 0.891 347 L HN 0.212 nan 8.230 nan 0.000 0.431 348 L N -1.649 119.275 121.223 -0.498 0.000 2.083 348 L HA -0.212 4.134 4.340 0.009 0.000 0.209 348 L C 2.497 179.396 176.870 0.048 0.000 1.083 348 L CA 1.386 56.041 54.840 -0.307 0.000 0.752 348 L CB -0.748 41.035 42.059 -0.460 0.000 0.899 348 L HN 0.349 nan 8.230 nan 0.000 0.433 349 F N 0.502 120.485 119.950 0.054 0.000 2.095 349 F HA -0.265 4.268 4.527 0.010 0.000 0.298 349 F C 2.231 178.256 175.800 0.376 0.000 1.104 349 F CA 1.500 59.643 58.000 0.237 0.000 1.232 349 F CB -0.414 38.786 39.000 0.333 0.000 0.987 349 F HN -0.105 nan 8.300 nan 0.000 0.475 350 F N 0.578 120.480 119.950 -0.079 0.000 2.234 350 F HA 0.003 4.535 4.527 0.009 0.000 0.299 350 F C 2.547 178.295 175.800 -0.087 0.000 1.087 350 F CA 0.742 58.667 58.000 -0.126 0.000 1.340 350 F CB -1.513 37.431 39.000 -0.094 0.000 1.031 350 F HN 0.094 nan 8.300 nan 0.000 0.500 351 A N -0.091 122.798 122.820 0.115 0.000 1.902 351 A HA -0.043 4.283 4.320 0.009 0.000 0.217 351 A C 2.612 180.256 177.584 0.101 0.000 1.181 351 A CA 1.795 53.901 52.037 0.115 0.000 0.623 351 A CB -1.480 17.621 19.000 0.168 0.000 0.818 351 A HN 0.381 nan 8.150 nan 0.000 0.443 352 G N -0.359 108.490 108.800 0.082 0.000 2.394 352 G HA2 -0.069 3.897 3.960 0.009 0.000 0.214 352 G HA3 -0.069 3.897 3.960 0.009 0.000 0.214 352 G C 1.473 176.417 174.900 0.072 0.000 1.176 352 G CA 1.068 46.248 45.100 0.134 0.000 0.786 352 G HN 0.454 nan 8.290 nan 0.000 0.533 353 L N 1.976 123.100 121.223 -0.165 0.000 2.042 353 L HA -0.092 4.254 4.340 0.009 0.000 0.210 353 L C 3.056 179.878 176.870 -0.079 0.000 1.076 353 L CA 2.863 57.549 54.840 -0.256 0.000 0.749 353 L CB -1.155 40.532 42.059 -0.620 0.000 0.893 353 L HN 0.377 nan 8.230 nan 0.000 0.432 354 T N -4.703 109.868 114.554 0.029 0.000 2.977 354 T HA -0.077 4.279 4.350 0.009 0.000 0.271 354 T C 1.774 176.500 174.700 0.043 0.000 1.105 354 T CA 1.376 63.539 62.100 0.106 0.000 1.116 354 T CB -0.467 68.443 68.868 0.070 0.000 0.878 354 T HN 0.357 nan 8.240 nan 0.000 0.509 355 S N 1.416 117.117 115.700 0.002 0.000 2.475 355 S HA 0.045 4.521 4.470 0.009 0.000 0.224 355 S C 2.424 176.942 174.600 -0.136 0.000 1.042 355 S CA 0.596 58.726 58.200 -0.116 0.000 0.935 355 S CB -0.096 62.973 63.200 -0.218 0.000 0.801 355 S HN 0.811 nan 8.310 nan 0.000 0.509 356 S N 3.127 118.838 115.700 0.019 0.000 2.387 356 S HA -0.056 4.419 4.470 0.009 0.000 0.226 356 S C 2.017 176.603 174.600 -0.024 0.000 1.026 356 S CA 0.988 59.213 58.200 0.042 0.000 0.972 356 S CB -0.975 62.322 63.200 0.162 0.000 0.814 356 S HN 0.678 nan 8.310 nan 0.000 0.477 357 I N 0.621 121.172 120.570 -0.031 0.000 2.286 357 I HA 0.010 4.186 4.170 0.009 0.000 0.248 357 I C 2.654 178.793 176.117 0.035 0.000 1.115 357 I CA 1.309 62.602 61.300 -0.012 0.000 1.392 357 I CB -0.977 37.009 38.000 -0.023 0.000 1.065 357 I HN 0.328 nan 8.210 nan 0.000 0.418 358 A N 1.279 124.094 122.820 -0.009 0.000 1.930 358 A HA -0.120 4.206 4.320 0.009 0.000 0.217 358 A C 2.249 179.680 177.584 -0.255 0.000 1.175 358 A CA 1.767 53.663 52.037 -0.236 0.000 0.627 358 A CB -0.776 17.937 19.000 -0.478 0.000 0.815 358 A HN 0.482 nan 8.150 nan 0.000 0.443 359 I N -0.952 119.495 120.570 -0.205 0.000 3.059 359 I HA 0.007 4.183 4.170 0.009 0.000 0.270 359 I C 2.103 178.165 176.117 -0.092 0.000 1.238 359 I CA 0.861 62.050 61.300 -0.184 0.000 1.478 359 I CB -0.179 37.671 38.000 -0.249 0.000 1.097 359 I HN 0.290 nan 8.210 nan 0.000 0.455 360 M N -1.263 118.309 119.600 -0.046 0.000 2.476 360 M HA -0.051 4.435 4.480 0.009 0.000 0.262 360 M C 1.960 178.278 176.300 0.031 0.000 1.111 360 M CA 0.501 55.803 55.300 0.003 0.000 1.127 360 M CB -0.055 32.555 32.600 0.017 0.000 1.376 360 M HN 0.128 nan 8.290 nan 0.000 0.465 361 Q N 1.362 121.186 119.800 0.040 0.000 2.170 361 Q HA -0.088 4.258 4.340 0.009 0.000 0.203 361 Q C -1.032 175.035 176.000 0.112 0.000 0.976 361 Q CA 1.903 57.767 55.803 0.101 0.000 0.858 361 Q CB -1.180 27.684 28.738 0.211 0.000 0.907 361 Q HN 0.233 nan 8.270 nan 0.000 0.433 362 P HA -0.125 nan 4.420 nan 0.000 0.216 362 P C 1.112 178.473 177.300 0.102 0.000 1.153 362 P CA 1.299 64.440 63.100 0.068 0.000 0.848 362 P CB -0.143 31.556 31.700 -0.001 0.000 0.787 363 M N -1.117 118.533 119.600 0.084 0.000 2.175 363 M HA -0.075 4.410 4.480 0.009 0.000 0.264 363 M C 1.826 178.239 176.300 0.187 0.000 1.063 363 M CA 1.707 57.084 55.300 0.127 0.000 1.119 363 M CB -1.097 31.568 32.600 0.108 0.000 1.377 363 M HN -0.214 nan 8.290 nan 0.000 0.415 364 I N -0.223 120.434 120.570 0.144 0.000 2.179 364 I HA -0.265 3.911 4.170 0.009 0.000 0.242 364 I C 2.426 178.621 176.117 0.129 0.000 1.088 364 I CA 1.214 62.592 61.300 0.131 0.000 1.357 364 I CB -0.813 37.238 38.000 0.086 0.000 1.051 364 I HN 0.385 nan 8.210 nan 0.000 0.409 365 A N 0.697 123.607 122.820 0.150 0.000 1.908 365 A HA -0.275 4.051 4.320 0.009 0.000 0.218 365 A C 2.262 179.911 177.584 0.109 0.000 1.181 365 A CA 1.640 53.764 52.037 0.144 0.000 0.627 365 A CB -1.051 18.046 19.000 0.162 0.000 0.818 365 A HN 0.471 nan 8.150 nan 0.000 0.445 366 F N 0.723 120.688 119.950 0.024 0.000 2.102 366 F HA -0.165 4.367 4.527 0.009 0.000 0.298 366 F C 1.912 177.709 175.800 -0.006 0.000 1.105 366 F CA 1.929 59.929 58.000 -0.000 0.000 1.239 366 F CB -0.303 38.681 39.000 -0.028 0.000 0.991 366 F HN 0.147 nan 8.300 nan 0.000 0.474 367 L N 0.029 121.297 121.223 0.075 0.000 2.046 367 L HA -0.203 4.143 4.340 0.009 0.000 0.208 367 L C 2.387 179.187 176.870 -0.117 0.000 1.077 367 L CA 1.709 56.528 54.840 -0.036 0.000 0.747 367 L CB -0.886 41.249 42.059 0.126 0.000 0.896 367 L HN 0.213 nan 8.230 nan 0.000 0.432 368 E N 0.187 120.355 120.200 -0.053 0.000 2.017 368 E HA -0.209 4.147 4.350 0.009 0.000 0.193 368 E C 1.815 178.341 176.600 -0.123 0.000 0.997 368 E CA 1.517 57.880 56.400 -0.061 0.000 0.804 368 E CB -0.051 29.638 29.700 -0.019 0.000 0.757 368 E HN 0.471 nan 8.360 nan 0.000 0.448 369 D N 0.147 120.460 120.400 -0.145 0.000 2.149 369 D HA -0.107 4.539 4.640 0.009 0.000 0.201 369 D C 1.733 177.909 176.300 -0.208 0.000 0.972 369 D CA 0.978 54.882 54.000 -0.159 0.000 0.835 369 D CB -0.005 40.737 40.800 -0.097 0.000 0.966 369 D HN 0.154 nan 8.370 nan 0.000 0.476 370 E N -0.364 119.602 120.200 -0.390 0.000 2.290 370 E HA 0.161 4.517 4.350 0.009 0.000 0.197 370 E C 1.929 178.277 176.600 -0.420 0.000 0.948 370 E CA 0.106 56.223 56.400 -0.472 0.000 0.895 370 E CB 0.553 29.697 29.700 -0.927 0.000 0.865 370 E HN 0.278 nan 8.360 nan 0.000 0.486 371 L N 0.694 121.668 121.223 -0.416 0.000 2.766 371 L HA 0.186 4.532 4.340 0.009 0.000 0.242 371 L C -0.104 176.675 176.870 -0.152 0.000 1.136 371 L CA -0.141 54.545 54.840 -0.257 0.000 0.933 371 L CB 0.279 42.200 42.059 -0.230 0.000 1.241 371 L HN -0.168 nan 8.230 nan 0.000 0.522 372 K N 0.150 120.463 120.400 -0.144 0.000 3.069 372 K HA -0.181 4.145 4.320 0.009 0.000 0.267 372 K C -0.274 176.305 176.600 -0.034 0.000 1.082 372 K CA 0.475 56.711 56.287 -0.085 0.000 0.782 372 K CB -2.204 30.252 32.500 -0.073 0.000 1.230 372 K HN 0.145 nan 8.250 nan 0.000 0.488 373 L N 1.003 122.217 121.223 -0.014 0.000 2.452 373 L HA 0.100 4.445 4.340 0.009 0.000 0.267 373 L C 1.425 178.329 176.870 0.057 0.000 1.188 373 L CA 0.470 55.354 54.840 0.074 0.000 0.821 373 L CB 0.758 42.891 42.059 0.124 0.000 1.102 373 L HN 0.345 nan 8.230 nan 0.000 0.470 374 S N 2.324 118.068 115.700 0.074 0.000 2.589 374 S HA 0.156 4.632 4.470 0.009 0.000 0.265 374 S C 1.243 175.835 174.600 -0.013 0.000 1.342 374 S CA -0.191 57.993 58.200 -0.027 0.000 1.005 374 S CB 0.496 63.605 63.200 -0.152 0.000 0.909 374 S HN 0.661 nan 8.310 nan 0.000 0.555 375 R N 1.310 121.777 120.500 -0.054 0.000 2.091 375 R HA -0.164 4.182 4.340 0.009 0.000 0.238 375 R C 2.309 178.589 176.300 -0.034 0.000 1.136 375 R CA 1.899 57.970 56.100 -0.047 0.000 0.959 375 R CB -0.448 29.799 30.300 -0.089 0.000 0.856 375 R HN 0.871 nan 8.270 nan 0.000 0.437 376 K N -0.482 119.868 120.400 -0.084 0.000 2.026 376 K HA -0.212 4.114 4.320 0.009 0.000 0.208 376 K C 1.746 178.368 176.600 0.037 0.000 1.048 376 K CA 2.070 58.310 56.287 -0.078 0.000 0.929 376 K CB -0.255 32.150 32.500 -0.158 0.000 0.713 376 K HN 0.489 nan 8.250 nan 0.000 0.439 377 H N -0.891 118.212 119.070 0.056 0.000 2.423 377 H HA -0.013 4.549 4.556 0.009 0.000 0.297 377 H C 2.008 177.481 175.328 0.242 0.000 1.075 377 H CA 0.613 56.752 56.048 0.153 0.000 1.342 377 H CB 0.163 30.051 29.762 0.210 0.000 1.395 377 H HN 0.424 nan 8.280 nan 0.000 0.530 378 A N 0.475 123.462 122.820 0.277 0.000 1.897 378 A HA -0.085 4.240 4.320 0.009 0.000 0.215 378 A C 2.522 180.225 177.584 0.199 0.000 1.181 378 A CA 1.048 53.226 52.037 0.235 0.000 0.620 378 A CB -0.550 18.533 19.000 0.137 0.000 0.821 378 A HN 0.180 nan 8.150 nan 0.000 0.443 379 V N 0.327 120.310 119.914 0.115 0.000 2.307 379 V HA -0.227 3.899 4.120 0.009 0.000 0.245 379 V C 2.551 178.684 176.094 0.065 0.000 1.045 379 V CA 1.840 64.177 62.300 0.062 0.000 1.024 379 V CB -0.809 31.008 31.823 -0.011 0.000 0.651 379 V HN 0.550 nan 8.190 nan 0.000 0.449 380 L N -1.894 119.357 121.223 0.046 0.000 2.056 380 L HA -0.177 4.169 4.340 0.009 0.000 0.207 380 L C 2.413 179.261 176.870 -0.037 0.000 1.078 380 L CA 1.916 56.728 54.840 -0.046 0.000 0.749 380 L CB -0.517 41.467 42.059 -0.126 0.000 0.901 380 L HN 0.384 nan 8.230 nan 0.000 0.433 381 W N 0.159 121.514 121.300 0.092 0.000 2.418 381 W HA -0.142 4.523 4.660 0.009 0.000 0.292 381 W C 2.717 179.315 176.519 0.131 0.000 1.213 381 W CA 1.209 58.618 57.345 0.106 0.000 1.283 381 W CB -0.369 29.157 29.460 0.110 0.000 1.119 381 W HN 0.002 nan 8.180 nan 0.000 0.542 382 T N 0.174 114.939 114.554 0.352 0.000 2.684 382 T HA -0.244 4.111 4.350 0.009 0.000 0.267 382 T C 1.948 176.777 174.700 0.215 0.000 1.036 382 T CA 1.878 64.133 62.100 0.259 0.000 1.148 382 T CB -0.813 68.165 68.868 0.185 0.000 0.863 382 T HN 0.188 nan 8.240 nan 0.000 0.436 383 A N 1.440 124.349 122.820 0.148 0.000 1.908 383 A HA 0.085 4.411 4.320 0.009 0.000 0.218 383 A C 2.642 180.346 177.584 0.200 0.000 1.181 383 A CA 1.981 54.089 52.037 0.119 0.000 0.627 383 A CB -1.139 17.870 19.000 0.016 0.000 0.818 383 A HN 0.521 nan 8.150 nan 0.000 0.445 384 A N 0.060 122.991 122.820 0.184 0.000 1.883 384 A HA -0.117 4.208 4.320 0.009 0.000 0.217 384 A C 2.126 179.944 177.584 0.390 0.000 1.186 384 A CA 1.626 53.813 52.037 0.251 0.000 0.624 384 A CB -0.648 18.419 19.000 0.112 0.000 0.822 384 A HN 0.516 nan 8.150 nan 0.000 0.444 385 I N -0.561 120.235 120.570 0.376 0.000 2.226 385 I HA -0.199 3.977 4.170 0.009 0.000 0.245 385 I C 2.317 178.666 176.117 0.387 0.000 1.100 385 I CA 1.060 62.584 61.300 0.372 0.000 1.374 385 I CB -0.355 37.834 38.000 0.315 0.000 1.057 385 I HN 0.152 nan 8.210 nan 0.000 0.413 386 V N 0.622 120.738 119.914 0.336 0.000 2.307 386 V HA -0.280 3.846 4.120 0.009 0.000 0.245 386 V C 2.283 178.614 176.094 0.395 0.000 1.045 386 V CA 1.806 64.293 62.300 0.312 0.000 1.024 386 V CB -0.678 31.293 31.823 0.247 0.000 0.651 386 V HN 0.340 nan 8.190 nan 0.000 0.449 387 F N 0.759 120.881 119.950 0.287 0.000 2.069 387 F HA -0.270 4.262 4.527 0.009 0.000 0.298 387 F C 2.168 178.267 175.800 0.498 0.000 1.113 387 F CA 2.037 60.253 58.000 0.359 0.000 1.214 387 F CB -0.693 38.445 39.000 0.230 0.000 0.978 387 F HN 0.207 nan 8.300 nan 0.000 0.474 388 F N 0.790 120.886 119.950 0.243 0.000 2.065 388 F HA -0.232 4.301 4.527 0.009 0.000 0.298 388 F C 2.514 178.382 175.800 0.113 0.000 1.112 388 F CA 2.270 60.317 58.000 0.079 0.000 1.212 388 F CB -1.132 37.939 39.000 0.119 0.000 0.975 388 F HN -0.038 nan 8.300 nan 0.000 0.476 389 S N 0.438 116.172 115.700 0.057 0.000 2.382 389 S HA -0.128 4.347 4.470 0.009 0.000 0.228 389 S C 2.238 176.758 174.600 -0.134 0.000 1.027 389 S CA 0.944 59.110 58.200 -0.057 0.000 0.991 389 S CB -0.863 62.525 63.200 0.314 0.000 0.823 389 S HN 0.568 nan 8.310 nan 0.000 0.469 390 A N 0.919 123.716 122.820 -0.039 0.000 2.070 390 A HA -0.143 4.183 4.320 0.009 0.000 0.220 390 A C 1.589 178.943 177.584 -0.383 0.000 1.159 390 A CA 1.440 53.370 52.037 -0.178 0.000 0.656 390 A CB -0.757 18.162 19.000 -0.136 0.000 0.800 390 A HN 0.540 nan 8.150 nan 0.000 0.453 391 H N -1.273 117.571 119.070 -0.376 0.000 2.456 391 H HA -0.067 4.495 4.556 0.010 0.000 0.296 391 H C 1.797 177.044 175.328 -0.134 0.000 1.079 391 H CA 1.425 57.341 56.048 -0.220 0.000 1.322 391 H CB -0.135 29.474 29.762 -0.255 0.000 1.388 391 H HN 0.417 nan 8.280 nan 0.000 0.538 392 L N -0.069 121.049 121.223 -0.175 0.000 2.046 392 L HA -0.122 4.224 4.340 0.009 0.000 0.208 392 L C 2.075 178.882 176.870 -0.103 0.000 1.077 392 L CA 1.165 55.915 54.840 -0.150 0.000 0.747 392 L CB -0.487 41.424 42.059 -0.247 0.000 0.896 392 L HN 0.107 nan 8.230 nan 0.000 0.432 393 V N -0.645 119.178 119.914 -0.151 0.000 2.427 393 V HA -0.288 3.838 4.120 0.009 0.000 0.248 393 V C 2.475 178.427 176.094 -0.236 0.000 1.051 393 V CA 2.016 64.239 62.300 -0.128 0.000 1.048 393 V CB -0.482 31.296 31.823 -0.075 0.000 0.666 393 V HN 0.432 nan 8.190 nan 0.000 0.456 394 M N -1.788 117.499 119.600 -0.522 0.000 2.349 394 M HA 0.010 4.495 4.480 0.009 0.000 0.266 394 M C 1.648 177.532 176.300 -0.694 0.000 1.076 394 M CA 1.844 56.643 55.300 -0.835 0.000 1.126 394 M CB -0.064 31.767 32.600 -1.281 0.000 1.392 394 M HN 0.332 nan 8.290 nan 0.000 0.440 395 F N -1.103 118.733 119.950 -0.191 0.000 2.712 395 F HA 0.259 4.792 4.527 0.010 0.000 0.297 395 F C 0.328 176.064 175.800 -0.106 0.000 1.114 395 F CA -0.380 57.544 58.000 -0.126 0.000 1.305 395 F CB 0.547 39.479 39.000 -0.114 0.000 1.086 395 F HN -0.094 nan 8.300 nan 0.000 0.599 396 L N 1.282 122.521 121.223 0.027 0.000 2.280 396 L HA 0.421 4.766 4.340 0.009 0.000 0.287 396 L C -0.187 176.644 176.870 -0.065 0.000 1.023 396 L CA -0.621 54.206 54.840 -0.022 0.000 0.819 396 L CB 0.310 42.352 42.059 -0.027 0.000 1.212 396 L HN -0.102 nan 8.230 nan 0.000 0.420 397 N N 4.299 122.942 118.700 -0.094 0.000 2.454 397 N HA 0.074 4.819 4.740 0.009 0.000 0.260 397 N C 0.272 175.712 175.510 -0.116 0.000 1.218 397 N CA 0.547 53.526 53.050 -0.119 0.000 0.904 397 N CB 0.408 38.803 38.487 -0.153 0.000 1.065 397 N HN 0.473 nan 8.380 nan 0.000 0.462 398 K N 0.046 120.384 120.400 -0.104 0.000 3.553 398 K HA -0.203 4.122 4.320 0.009 0.000 0.303 398 K C 1.242 177.803 176.600 -0.065 0.000 1.327 398 K CA 1.156 57.387 56.287 -0.092 0.000 0.983 398 K CB -2.146 30.293 32.500 -0.101 0.000 1.275 398 K HN 0.518 nan 8.250 nan 0.000 0.453 399 S N 0.668 116.337 115.700 -0.052 0.000 2.356 399 S HA -0.016 4.460 4.470 0.009 0.000 0.223 399 S C 1.831 176.408 174.600 -0.038 0.000 1.032 399 S CA 1.492 59.679 58.200 -0.021 0.000 1.005 399 S CB -0.105 63.085 63.200 -0.016 0.000 0.867 399 S HN 0.428 nan 8.310 nan 0.000 0.449 400 L N 1.159 122.345 121.223 -0.062 0.000 2.021 400 L HA -0.245 4.100 4.340 0.009 0.000 0.215 400 L C 1.797 178.501 176.870 -0.278 0.000 1.074 400 L CA 2.611 57.357 54.840 -0.156 0.000 0.760 400 L CB -0.692 41.337 42.059 -0.050 0.000 0.889 400 L HN 0.327 nan 8.230 nan 0.000 0.433 401 D N -0.783 119.528 120.400 -0.149 0.000 2.144 401 D HA -0.223 4.422 4.640 0.009 0.000 0.199 401 D C 2.075 178.346 176.300 -0.048 0.000 0.984 401 D CA 1.238 55.170 54.000 -0.113 0.000 0.834 401 D CB -0.017 40.732 40.800 -0.085 0.000 0.955 401 D HN 0.372 nan 8.370 nan 0.000 0.465 402 E N -0.013 120.189 120.200 0.003 0.000 2.072 402 E HA -0.082 4.274 4.350 0.009 0.000 0.191 402 E C 1.925 178.681 176.600 0.260 0.000 0.985 402 E CA 0.902 57.396 56.400 0.156 0.000 0.801 402 E CB -0.025 29.779 29.700 0.172 0.000 0.750 402 E HN 0.257 nan 8.360 nan 0.000 0.452 403 M N -0.052 119.600 119.600 0.086 0.000 2.099 403 M HA -0.114 4.372 4.480 0.009 0.000 0.262 403 M C 1.935 178.241 176.300 0.010 0.000 1.067 403 M CA 1.807 57.157 55.300 0.084 0.000 1.124 403 M CB -0.364 32.259 32.600 0.038 0.000 1.353 403 M HN 0.057 nan 8.290 nan 0.000 0.410 404 D N 0.213 120.423 120.400 -0.317 0.000 2.182 404 D HA -0.185 4.461 4.640 0.009 0.000 0.201 404 D C 1.642 177.999 176.300 0.096 0.000 0.986 404 D CA 1.187 55.094 54.000 -0.155 0.000 0.847 404 D CB 0.016 40.657 40.800 -0.264 0.000 0.942 404 D HN 0.268 nan 8.370 nan 0.000 0.467 405 F N -0.700 119.215 119.950 -0.059 0.000 2.053 405 F HA -0.005 4.528 4.527 0.010 0.000 0.292 405 F C 1.689 177.442 175.800 -0.079 0.000 1.125 405 F CA 1.433 59.362 58.000 -0.119 0.000 1.193 405 F CB -0.674 38.127 39.000 -0.330 0.000 0.996 405 F HN 0.005 nan 8.300 nan 0.000 0.470 406 W N 0.309 121.742 121.300 0.221 0.000 2.378 406 W HA -0.053 4.613 4.660 0.010 0.000 0.313 406 W C 2.589 179.231 176.519 0.204 0.000 1.197 406 W CA 1.690 59.160 57.345 0.208 0.000 1.304 406 W CB -1.059 28.634 29.460 0.390 0.000 1.148 406 W HN 0.119 nan 8.180 nan 0.000 0.494 407 A N 0.011 123.002 122.820 0.286 0.000 1.878 407 A HA 0.135 4.461 4.320 0.009 0.000 0.213 407 A C 2.186 179.745 177.584 -0.041 0.000 1.192 407 A CA 1.491 53.492 52.037 -0.060 0.000 0.619 407 A CB -1.408 17.282 19.000 -0.516 0.000 0.837 407 A HN 0.270 nan 8.150 nan 0.000 0.446 408 G N -1.907 106.937 108.800 0.074 0.000 2.572 408 G HA2 0.203 4.169 3.960 0.009 0.000 0.216 408 G HA3 0.203 4.169 3.960 0.009 0.000 0.216 408 G C 1.151 176.072 174.900 0.034 0.000 1.133 408 G CA 1.651 46.845 45.100 0.156 0.000 0.791 408 G HN 0.461 nan 8.290 nan 0.000 0.538 409 T N 0.051 114.561 114.554 -0.073 0.000 3.429 409 T HA 0.195 4.551 4.350 0.009 0.000 0.212 409 T C 2.195 176.726 174.700 -0.282 0.000 0.980 409 T CA -0.162 61.833 62.100 -0.174 0.000 1.201 409 T CB -0.063 68.704 68.868 -0.169 0.000 1.289 409 T HN -0.076 nan 8.240 nan 0.000 0.346 410 I N 2.301 122.643 120.570 -0.380 0.000 2.113 410 I HA -0.189 3.987 4.170 0.009 0.000 0.242 410 I C 2.842 179.045 176.117 0.144 0.000 1.064 410 I CA 2.245 63.452 61.300 -0.154 0.000 1.320 410 I CB -1.751 36.102 38.000 -0.244 0.000 1.028 410 I HN 0.459 nan 8.210 nan 0.000 0.406 411 G N 1.478 110.440 108.800 0.271 0.000 2.586 411 G HA2 -0.288 3.678 3.960 0.009 0.000 0.218 411 G HA3 -0.288 3.678 3.960 0.009 0.000 0.218 411 G C 1.778 176.944 174.900 0.445 0.000 1.216 411 G CA 2.345 47.793 45.100 0.581 0.000 0.786 411 G HN 0.419 nan 8.290 nan 0.000 0.583 412 V N -1.246 118.698 119.914 0.050 0.000 2.515 412 V HA -0.092 4.034 4.120 0.009 0.000 0.250 412 V C 2.689 178.866 176.094 0.137 0.000 1.058 412 V CA 1.892 64.192 62.300 -0.001 0.000 1.064 412 V CB -0.697 30.836 31.823 -0.484 0.000 0.675 412 V HN 0.168 nan 8.190 nan 0.000 0.461 413 V N 0.277 120.121 119.914 -0.118 0.000 2.323 413 V HA -0.137 3.988 4.120 0.009 0.000 0.244 413 V C 2.366 178.494 176.094 0.058 0.000 1.041 413 V CA 2.361 64.459 62.300 -0.336 0.000 1.025 413 V CB -0.879 30.628 31.823 -0.526 0.000 0.656 413 V HN 0.656 nan 8.190 nan 0.000 0.451 414 F N 0.612 120.608 119.950 0.077 0.000 2.126 414 F HA -0.249 4.284 4.527 0.010 0.000 0.299 414 F C 2.032 177.984 175.800 0.254 0.000 1.096 414 F CA 1.833 59.925 58.000 0.153 0.000 1.255 414 F CB -0.623 38.471 39.000 0.157 0.000 0.997 414 F HN 0.184 nan 8.300 nan 0.000 0.479 415 F N 1.242 121.118 119.950 -0.123 0.000 2.146 415 F HA 0.072 4.604 4.527 0.009 0.000 0.298 415 F C 2.460 178.263 175.800 0.006 0.000 1.096 415 F CA 1.574 59.474 58.000 -0.167 0.000 1.275 415 F CB -1.098 37.996 39.000 0.157 0.000 1.008 415 F HN 0.043 nan 8.300 nan 0.000 0.480 416 G N 0.550 109.482 108.800 0.219 0.000 2.446 416 G HA2 -0.309 3.657 3.960 0.009 0.000 0.217 416 G HA3 -0.309 3.657 3.960 0.009 0.000 0.217 416 G C 1.628 176.575 174.900 0.078 0.000 1.168 416 G CA 1.020 46.266 45.100 0.243 0.000 0.771 416 G HN 0.399 nan 8.290 nan 0.000 0.551 417 L N 1.099 122.360 121.223 0.065 0.000 2.043 417 L HA -0.066 4.279 4.340 0.009 0.000 0.212 417 L C 2.866 179.692 176.870 -0.073 0.000 1.075 417 L CA 2.702 57.559 54.840 0.028 0.000 0.752 417 L CB -1.146 40.951 42.059 0.064 0.000 0.891 417 L HN 0.213 nan 8.230 nan 0.000 0.432 418 T N -0.556 113.852 114.554 -0.243 0.000 2.746 418 T HA -0.187 4.169 4.350 0.009 0.000 0.267 418 T C 1.705 176.252 174.700 -0.255 0.000 1.039 418 T CA 1.682 63.605 62.100 -0.295 0.000 1.142 418 T CB -0.185 68.379 68.868 -0.507 0.000 0.866 418 T HN 0.480 nan 8.240 nan 0.000 0.444 419 E N 0.658 120.692 120.200 -0.277 0.000 2.058 419 E HA -0.087 4.268 4.350 0.009 0.000 0.194 419 E C 2.254 178.845 176.600 -0.015 0.000 0.997 419 E CA 0.931 57.228 56.400 -0.172 0.000 0.801 419 E CB -0.328 29.302 29.700 -0.117 0.000 0.746 419 E HN 0.390 nan 8.360 nan 0.000 0.450 420 L N 0.627 121.879 121.223 0.049 0.000 2.013 420 L HA -0.255 4.090 4.340 0.009 0.000 0.212 420 L C 2.439 179.461 176.870 0.254 0.000 1.073 420 L CA 1.208 56.149 54.840 0.168 0.000 0.753 420 L CB -0.352 41.786 42.059 0.131 0.000 0.890 420 L HN 0.194 nan 8.230 nan 0.000 0.432 421 I N -0.844 119.800 120.570 0.123 0.000 2.233 421 I HA -0.282 3.893 4.170 0.009 0.000 0.243 421 I C 2.424 178.591 176.117 0.084 0.000 1.093 421 I CA 1.158 62.530 61.300 0.120 0.000 1.380 421 I CB -0.168 37.797 38.000 -0.059 0.000 1.067 421 I HN 0.156 nan 8.210 nan 0.000 0.413 422 I N 0.026 120.552 120.570 -0.073 0.000 2.208 422 I HA -0.325 3.850 4.170 0.009 0.000 0.245 422 I C 2.491 178.626 176.117 0.030 0.000 1.097 422 I CA 1.765 62.969 61.300 -0.160 0.000 1.363 422 I CB -0.224 37.491 38.000 -0.474 0.000 1.051 422 I HN 0.188 nan 8.210 nan 0.000 0.413 423 F N 0.617 120.522 119.950 -0.075 0.000 2.094 423 F HA -0.111 4.421 4.527 0.009 0.000 0.291 423 F C 2.060 177.888 175.800 0.047 0.000 1.109 423 F CA 1.477 59.469 58.000 -0.014 0.000 1.221 423 F CB -0.595 38.420 39.000 0.025 0.000 1.014 423 F HN -0.136 nan 8.300 nan 0.000 0.473 424 F N -2.090 117.883 119.950 0.040 0.000 2.710 424 F HA -0.027 4.506 4.527 0.010 0.000 0.298 424 F C 1.045 176.592 175.800 -0.422 0.000 1.137 424 F CA 0.631 58.492 58.000 -0.231 0.000 1.444 424 F CB -0.204 38.656 39.000 -0.234 0.000 1.111 424 F HN -0.002 nan 8.300 nan 0.000 0.580 425 W N -1.479 119.791 121.300 -0.049 0.000 3.298 425 W HA 0.258 4.923 4.660 0.009 0.000 0.239 425 W C 1.986 178.401 176.519 -0.173 0.000 1.082 425 W CA 0.173 57.451 57.345 -0.111 0.000 1.711 425 W CB -0.284 29.119 29.460 -0.095 0.000 0.944 425 W HN -0.271 nan 8.180 nan 0.000 0.712 426 I N -0.824 119.755 120.570 0.014 0.000 2.385 426 I HA -0.173 4.002 4.170 0.009 0.000 0.244 426 I C 2.221 178.277 176.117 -0.101 0.000 1.089 426 I CA 0.991 62.193 61.300 -0.163 0.000 1.410 426 I CB -0.629 37.104 38.000 -0.446 0.000 1.117 426 I HN -0.141 nan 8.210 nan 0.000 0.429 427 F N 2.008 121.829 119.950 -0.215 0.000 2.126 427 F HA 0.056 4.589 4.527 0.009 0.000 0.299 427 F C 1.053 176.679 175.800 -0.290 0.000 1.096 427 F CA 1.324 59.187 58.000 -0.230 0.000 1.255 427 F CB -0.292 38.539 39.000 -0.281 0.000 0.997 427 F HN 0.106 nan 8.300 nan 0.000 0.479 428 G N -1.252 107.319 108.800 -0.380 0.000 3.088 428 G HA2 0.326 4.292 3.960 0.009 0.000 0.620 428 G HA3 0.326 4.292 3.960 0.009 0.000 0.620 428 G C 0.258 174.790 174.900 -0.614 0.000 1.375 428 G CA -0.417 44.389 45.100 -0.490 0.000 1.016 428 G HN 0.591 nan 8.290 nan 0.000 0.590 429 A N 1.493 123.957 122.820 -0.594 0.000 1.933 429 A HA 0.056 4.382 4.320 0.009 0.000 0.218 429 A C 1.960 179.218 177.584 -0.543 0.000 1.175 429 A CA 2.664 54.224 52.037 -0.795 0.000 0.628 429 A CB -0.215 18.425 19.000 -0.600 0.000 0.814 429 A HN 0.649 nan 8.150 nan 0.000 0.444 430 D N -0.565 119.661 120.400 -0.290 0.000 2.137 430 D HA -0.025 4.621 4.640 0.009 0.000 0.202 430 D C 1.979 178.161 176.300 -0.197 0.000 0.970 430 D CA 1.142 55.060 54.000 -0.137 0.000 0.837 430 D CB -0.171 40.543 40.800 -0.144 0.000 0.981 430 D HN 0.451 nan 8.370 nan 0.000 0.475 431 K N 0.733 120.911 120.400 -0.371 0.000 2.057 431 K HA -0.065 4.261 4.320 0.009 0.000 0.207 431 K C 2.111 178.503 176.600 -0.348 0.000 1.049 431 K CA 1.209 57.249 56.287 -0.411 0.000 0.931 431 K CB -0.129 31.868 32.500 -0.837 0.000 0.714 431 K HN 0.034 nan 8.250 nan 0.000 0.440 432 A N 1.624 124.062 122.820 -0.637 0.000 1.865 432 A HA -0.222 4.103 4.320 0.009 0.000 0.217 432 A C 1.972 179.311 177.584 -0.408 0.000 1.191 432 A CA 1.407 52.837 52.037 -1.011 0.000 0.623 432 A CB -1.122 16.797 19.000 -1.800 0.000 0.826 432 A HN 0.634 nan 8.150 nan 0.000 0.444 433 W N 0.844 121.852 121.300 -0.488 0.000 2.335 433 W HA -0.177 4.487 4.660 0.007 0.000 0.311 433 W C 1.840 178.317 176.519 -0.070 0.000 1.213 433 W CA 2.036 59.317 57.345 -0.106 0.000 1.274 433 W CB -0.075 29.409 29.460 0.040 0.000 1.148 433 W HN 0.421 nan 8.180 nan 0.000 0.498 434 E N 0.393 120.583 120.200 -0.017 0.000 2.106 434 E HA -0.228 4.127 4.350 0.009 0.000 0.192 434 E C 1.703 178.255 176.600 -0.080 0.000 0.984 434 E CA 1.460 57.814 56.400 -0.077 0.000 0.806 434 E CB -0.594 29.095 29.700 -0.018 0.000 0.750 434 E HN 0.282 nan 8.360 nan 0.000 0.458 435 E N 0.931 121.122 120.200 -0.015 0.000 2.110 435 E HA -0.108 4.248 4.350 0.009 0.000 0.193 435 E C 2.004 178.646 176.600 0.068 0.000 0.988 435 E CA 0.737 57.197 56.400 0.099 0.000 0.804 435 E CB -0.217 29.613 29.700 0.216 0.000 0.745 435 E HN 0.254 nan 8.360 nan 0.000 0.458 436 I N 0.435 120.995 120.570 -0.016 0.000 2.233 436 I HA -0.205 3.971 4.170 0.009 0.000 0.243 436 I C 1.982 177.915 176.117 -0.307 0.000 1.093 436 I CA 0.882 62.110 61.300 -0.120 0.000 1.380 436 I CB -0.259 37.618 38.000 -0.204 0.000 1.067 436 I HN 0.105 nan 8.210 nan 0.000 0.413 437 N N 0.827 119.264 118.700 -0.438 0.000 2.354 437 N HA -0.069 4.676 4.740 0.009 0.000 0.179 437 N C 0.942 176.303 175.510 -0.247 0.000 1.021 437 N CA 0.170 52.948 53.050 -0.452 0.000 0.887 437 N CB -0.052 38.077 38.487 -0.597 0.000 0.974 437 N HN 0.247 nan 8.380 nan 0.000 0.437 438 R N 0.702 121.110 120.500 -0.154 0.000 2.504 438 R HA 0.001 4.347 4.340 0.009 0.000 0.291 438 R C 0.942 177.202 176.300 -0.066 0.000 0.974 438 R CA 1.078 57.132 56.100 -0.077 0.000 1.077 438 R CB -0.096 30.194 30.300 -0.017 0.000 0.926 438 R HN 0.323 nan 8.270 nan 0.000 0.407 439 G N 2.551 111.316 108.800 -0.059 0.000 2.189 439 G HA2 -0.281 3.685 3.960 0.009 0.000 0.267 439 G HA3 -0.281 3.685 3.960 0.009 0.000 0.267 439 G C 0.417 175.277 174.900 -0.068 0.000 0.975 439 G CA 0.092 45.165 45.100 -0.045 0.000 0.644 439 G HN 0.972 nan 8.290 nan 0.000 0.537 440 G N -0.471 108.260 108.800 -0.115 0.000 2.380 440 G HA2 0.443 4.408 3.960 0.009 0.000 0.242 440 G HA3 0.443 4.408 3.960 0.009 0.000 0.242 440 G C 1.212 176.044 174.900 -0.112 0.000 1.298 440 G CA 0.065 45.075 45.100 -0.150 0.000 0.878 440 G HN 0.418 nan 8.290 nan 0.000 0.542 441 I N 1.697 122.208 120.570 -0.098 0.000 2.252 441 I HA -0.009 4.167 4.170 0.009 0.000 0.245 441 I C 1.275 177.347 176.117 -0.074 0.000 1.102 441 I CA 1.074 62.332 61.300 -0.070 0.000 1.385 441 I CB -0.254 37.712 38.000 -0.057 0.000 1.064 441 I HN 0.534 nan 8.210 nan 0.000 0.414 442 I N -2.893 117.617 120.570 -0.100 0.000 2.910 442 I HA 0.484 4.660 4.170 0.009 0.000 0.310 442 I C -0.601 175.416 176.117 -0.168 0.000 1.043 442 I CA -1.061 60.179 61.300 -0.099 0.000 1.053 442 I CB 1.464 39.421 38.000 -0.072 0.000 1.242 442 I HN -0.276 nan 8.210 nan 0.000 0.452 443 K N 2.437 122.746 120.400 -0.151 0.000 2.118 443 K HA 0.504 4.830 4.320 0.009 0.000 0.254 443 K C -0.761 175.684 176.600 -0.258 0.000 0.961 443 K CA -0.866 55.288 56.287 -0.220 0.000 0.876 443 K CB 2.507 34.937 32.500 -0.117 0.000 1.077 443 K HN 0.495 nan 8.250 nan 0.000 0.440 444 V N 3.829 123.467 119.914 -0.460 0.000 2.572 444 V HA 0.051 4.177 4.120 0.009 0.000 0.291 444 V C -2.000 174.159 176.094 0.108 0.000 1.039 444 V CA -1.352 60.687 62.300 -0.435 0.000 1.055 444 V CB 0.262 31.577 31.823 -0.847 0.000 0.969 444 V HN 0.571 nan 8.190 nan 0.000 0.482 445 P HA 0.037 nan 4.420 nan 0.000 0.262 445 P C 0.824 178.409 177.300 0.474 0.000 1.182 445 P CA 0.199 63.505 63.100 0.345 0.000 0.761 445 P CB 0.364 32.283 31.700 0.364 0.000 0.795 446 R N 3.227 123.933 120.500 0.343 0.000 2.154 446 R HA -0.207 4.138 4.340 0.009 0.000 0.248 446 R C 1.789 178.190 176.300 0.168 0.000 1.155 446 R CA 1.316 57.544 56.100 0.214 0.000 0.979 446 R CB -0.552 29.818 30.300 0.116 0.000 0.869 446 R HN 0.379 nan 8.270 nan 0.000 0.452 447 I N 0.126 120.840 120.570 0.240 0.000 2.454 447 I HA -0.251 3.924 4.170 0.009 0.000 0.254 447 I C 1.096 177.352 176.117 0.232 0.000 1.156 447 I CA 1.396 62.845 61.300 0.248 0.000 1.433 447 I CB -0.277 37.783 38.000 0.100 0.000 1.082 447 I HN 0.209 nan 8.210 nan 0.000 0.432 448 Y N -1.473 118.987 120.300 0.266 0.000 2.574 448 Y HA -0.262 4.293 4.550 0.007 0.000 0.294 448 Y C 2.206 178.188 175.900 0.136 0.000 1.142 448 Y CA 1.393 59.657 58.100 0.273 0.000 1.314 448 Y CB -0.475 38.242 38.460 0.430 0.000 0.991 448 Y HN 0.330 nan 8.280 nan 0.000 0.555 449 Y N -0.828 119.343 120.300 -0.216 0.000 2.181 449 Y HA -0.339 4.216 4.550 0.008 0.000 0.288 449 Y C 1.481 177.088 175.900 -0.488 0.000 1.146 449 Y CA 1.651 59.347 58.100 -0.673 0.000 1.164 449 Y CB -0.564 37.046 38.460 -1.417 0.000 0.982 449 Y HN 0.132 nan 8.280 nan 0.000 0.515 450 Y N -1.616 118.714 120.300 0.050 0.000 2.243 450 Y HA -0.121 4.433 4.550 0.008 0.000 0.293 450 Y C 2.513 178.458 175.900 0.074 0.000 1.124 450 Y CA 1.156 59.331 58.100 0.125 0.000 1.159 450 Y CB -1.014 37.588 38.460 0.236 0.000 1.008 450 Y HN -0.102 nan 8.280 nan 0.000 0.527 451 V N 0.477 120.502 119.914 0.185 0.000 2.252 451 V HA -0.412 3.714 4.120 0.009 0.000 0.249 451 V C 2.266 178.370 176.094 0.017 0.000 1.056 451 V CA 2.387 64.760 62.300 0.121 0.000 1.022 451 V CB -0.694 31.172 31.823 0.072 0.000 0.641 451 V HN 0.455 nan 8.190 nan 0.000 0.445 452 M N -1.119 118.391 119.600 -0.151 0.000 2.159 452 M HA -0.180 4.305 4.480 0.009 0.000 0.263 452 M C 2.431 178.332 176.300 -0.665 0.000 1.063 452 M CA 1.763 56.765 55.300 -0.497 0.000 1.110 452 M CB -0.415 31.602 32.600 -0.972 0.000 1.374 452 M HN 0.172 nan 8.290 nan 0.000 0.411 453 R N -0.847 119.205 120.500 -0.746 0.000 2.127 453 R HA -0.089 4.257 4.340 0.009 0.000 0.217 453 R C 1.074 177.119 176.300 -0.424 0.000 1.074 453 R CA 1.292 56.928 56.100 -0.774 0.000 0.991 453 R CB 0.337 29.857 30.300 -1.299 0.000 0.895 453 R HN 0.360 nan 8.270 nan 0.000 0.450 454 Y N -1.592 118.782 120.300 0.124 0.000 2.769 454 Y HA 0.145 4.700 4.550 0.008 0.000 0.266 454 Y C 1.902 177.900 175.900 0.163 0.000 1.091 454 Y CA -0.402 57.822 58.100 0.206 0.000 1.272 454 Y CB -0.027 38.542 38.460 0.181 0.000 1.469 454 Y HN -0.166 nan 8.280 nan 0.000 0.475 455 I N 0.283 121.037 120.570 0.306 0.000 2.162 455 I HA -0.187 3.988 4.170 0.009 0.000 0.238 455 I C 2.025 178.340 176.117 0.329 0.000 1.076 455 I CA 1.724 63.199 61.300 0.292 0.000 1.353 455 I CB -1.733 36.428 38.000 0.269 0.000 1.063 455 I HN 0.203 nan 8.210 nan 0.000 0.408 456 T N 2.702 117.392 114.554 0.226 0.000 2.665 456 T HA -0.086 4.270 4.350 0.009 0.000 0.268 456 T C -0.369 174.465 174.700 0.223 0.000 1.035 456 T CA 1.882 64.099 62.100 0.196 0.000 1.151 456 T CB -1.443 67.474 68.868 0.082 0.000 0.862 456 T HN 0.298 nan 8.240 nan 0.000 0.438 457 P HA 0.039 nan 4.420 nan 0.000 0.217 457 P C 1.517 178.907 177.300 0.151 0.000 1.151 457 P CA 1.320 64.512 63.100 0.153 0.000 0.828 457 P CB -0.221 31.560 31.700 0.135 0.000 0.788 458 A N -0.265 122.653 122.820 0.163 0.000 1.851 458 A HA -0.202 4.124 4.320 0.009 0.000 0.216 458 A C 2.202 179.853 177.584 0.112 0.000 1.195 458 A CA 1.574 53.675 52.037 0.106 0.000 0.622 458 A CB -1.910 17.139 19.000 0.083 0.000 0.831 458 A HN 0.038 nan 8.150 nan 0.000 0.444 459 F N 0.036 120.038 119.950 0.086 0.000 2.045 459 F HA -0.268 4.265 4.527 0.010 0.000 0.297 459 F C 2.310 178.168 175.800 0.097 0.000 1.114 459 F CA 2.094 60.152 58.000 0.096 0.000 1.207 459 F CB -0.323 38.745 39.000 0.115 0.000 0.964 459 F HN 0.123 nan 8.300 nan 0.000 0.486 460 L N -0.880 120.537 121.223 0.324 0.000 2.083 460 L HA -0.254 4.092 4.340 0.009 0.000 0.209 460 L C 2.652 179.610 176.870 0.147 0.000 1.083 460 L CA 1.117 56.085 54.840 0.213 0.000 0.752 460 L CB -1.070 41.113 42.059 0.207 0.000 0.899 460 L HN 0.211 nan 8.230 nan 0.000 0.433 461 A N -0.575 122.324 122.820 0.131 0.000 1.972 461 A HA -0.141 4.185 4.320 0.009 0.000 0.219 461 A C 2.321 179.965 177.584 0.099 0.000 1.169 461 A CA 1.587 53.684 52.037 0.101 0.000 0.635 461 A CB -0.602 18.438 19.000 0.066 0.000 0.810 461 A HN 0.220 nan 8.150 nan 0.000 0.446 462 V N -0.501 119.466 119.914 0.088 0.000 2.323 462 V HA -0.174 3.952 4.120 0.009 0.000 0.244 462 V C 2.442 178.620 176.094 0.140 0.000 1.041 462 V CA 1.760 64.109 62.300 0.083 0.000 1.025 462 V CB -0.573 31.259 31.823 0.015 0.000 0.656 462 V HN 0.597 nan 8.190 nan 0.000 0.451 463 L N -0.366 120.943 121.223 0.145 0.000 2.012 463 L HA -0.186 4.160 4.340 0.009 0.000 0.210 463 L C 2.177 179.126 176.870 0.132 0.000 1.073 463 L CA 1.923 56.831 54.840 0.113 0.000 0.748 463 L CB -0.619 41.457 42.059 0.027 0.000 0.891 463 L HN 0.213 nan 8.230 nan 0.000 0.431 464 L N -1.856 119.444 121.223 0.127 0.000 2.017 464 L HA -0.195 4.151 4.340 0.009 0.000 0.208 464 L C 2.224 179.277 176.870 0.304 0.000 1.073 464 L CA 1.475 56.436 54.840 0.203 0.000 0.745 464 L CB -0.117 42.050 42.059 0.180 0.000 0.894 464 L HN 0.169 nan 8.230 nan 0.000 0.432 465 V N -1.203 118.840 119.914 0.215 0.000 2.300 465 V HA -0.197 3.929 4.120 0.009 0.000 0.233 465 V C 2.326 178.526 176.094 0.176 0.000 1.052 465 V CA 1.234 63.637 62.300 0.172 0.000 1.026 465 V CB -0.156 31.734 31.823 0.111 0.000 0.661 465 V HN 0.160 nan 8.190 nan 0.000 0.470 466 V N -0.612 119.396 119.914 0.157 0.000 2.313 466 V HA -0.363 3.762 4.120 0.009 0.000 0.253 466 V C 2.004 178.207 176.094 0.183 0.000 1.070 466 V CA 2.961 65.345 62.300 0.141 0.000 1.057 466 V CB -0.715 31.188 31.823 0.134 0.000 0.653 466 V HN 0.841 nan 8.190 nan 0.000 0.450 467 W N 0.461 121.797 121.300 0.060 0.000 2.408 467 W HA -0.036 4.630 4.660 0.010 0.000 0.311 467 W C 2.441 178.998 176.519 0.064 0.000 1.190 467 W CA 1.622 59.007 57.345 0.065 0.000 1.321 467 W CB -0.401 29.100 29.460 0.069 0.000 1.143 467 W HN 0.156 nan 8.180 nan 0.000 0.501 468 A N 1.358 124.297 122.820 0.197 0.000 1.940 468 A HA -0.238 4.088 4.320 0.009 0.000 0.219 468 A C 1.990 179.455 177.584 -0.198 0.000 1.176 468 A CA 1.944 53.904 52.037 -0.129 0.000 0.631 468 A CB -0.837 18.288 19.000 0.209 0.000 0.814 468 A HN 0.463 nan 8.150 nan 0.000 0.446 469 R N -0.787 119.663 120.500 -0.082 0.000 2.105 469 R HA -0.126 4.219 4.340 0.009 0.000 0.239 469 R C 1.989 178.200 176.300 -0.149 0.000 1.135 469 R CA 1.619 57.674 56.100 -0.075 0.000 0.967 469 R CB -0.516 29.772 30.300 -0.021 0.000 0.861 469 R HN 0.690 nan 8.270 nan 0.000 0.442 470 E N -0.388 119.668 120.200 -0.241 0.000 2.465 470 E HA 0.024 4.380 4.350 0.009 0.000 0.191 470 E C 1.220 177.586 176.600 -0.390 0.000 1.053 470 E CA 0.729 56.976 56.400 -0.255 0.000 0.869 470 E CB -0.681 28.905 29.700 -0.189 0.000 0.977 470 E HN 0.679 nan 8.360 nan 0.000 0.483 471 Y N -0.657 119.320 120.300 -0.537 0.000 2.846 471 Y HA 0.394 4.949 4.550 0.009 0.000 0.258 471 Y C 2.371 178.056 175.900 -0.359 0.000 1.077 471 Y CA 0.465 58.241 58.100 -0.540 0.000 1.270 471 Y CB 0.011 37.893 38.460 -0.963 0.000 1.476 471 Y HN 0.189 nan 8.280 nan 0.000 0.460 472 I N 1.305 121.724 120.570 -0.252 0.000 2.194 472 I HA -0.222 3.954 4.170 0.009 0.000 0.246 472 I C -0.680 175.385 176.117 -0.086 0.000 1.093 472 I CA 1.792 63.027 61.300 -0.109 0.000 1.355 472 I CB -1.328 36.708 38.000 0.060 0.000 1.046 472 I HN 0.309 nan 8.210 nan 0.000 0.413 473 P HA -0.171 nan 4.420 nan 0.000 0.215 473 P C 1.353 178.616 177.300 -0.061 0.000 1.153 473 P CA 1.377 64.454 63.100 -0.039 0.000 0.853 473 P CB -0.109 31.565 31.700 -0.043 0.000 0.788 474 K N -0.365 119.965 120.400 -0.117 0.000 2.026 474 K HA -0.075 4.251 4.320 0.009 0.000 0.208 474 K C 2.050 178.560 176.600 -0.150 0.000 1.048 474 K CA 1.244 57.456 56.287 -0.124 0.000 0.929 474 K CB -1.155 31.253 32.500 -0.154 0.000 0.713 474 K HN 0.195 nan 8.250 nan 0.000 0.439 475 I N 1.093 121.507 120.570 -0.260 0.000 2.286 475 I HA -0.190 3.985 4.170 0.009 0.000 0.248 475 I C 2.278 178.333 176.117 -0.105 0.000 1.115 475 I CA 1.096 62.210 61.300 -0.311 0.000 1.392 475 I CB -0.592 36.969 38.000 -0.731 0.000 1.065 475 I HN 0.136 nan 8.210 nan 0.000 0.418 476 M N -0.210 119.382 119.600 -0.014 0.000 2.349 476 M HA -0.056 4.429 4.480 0.009 0.000 0.266 476 M C 1.861 178.215 176.300 0.091 0.000 1.076 476 M CA 1.332 56.686 55.300 0.090 0.000 1.126 476 M CB -0.639 32.049 32.600 0.147 0.000 1.392 476 M HN 0.200 nan 8.290 nan 0.000 0.440 477 E N -0.322 119.905 120.200 0.044 0.000 2.290 477 E HA 0.044 4.400 4.350 0.009 0.000 0.199 477 E C 1.119 177.745 176.600 0.043 0.000 0.912 477 E CA 0.433 56.866 56.400 0.055 0.000 0.924 477 E CB 0.380 30.101 29.700 0.034 0.000 0.901 477 E HN 0.394 nan 8.360 nan 0.000 0.487 478 E N 1.422 121.627 120.200 0.008 0.000 2.465 478 E HA 0.061 4.417 4.350 0.009 0.000 0.195 478 E C 0.404 177.011 176.600 0.012 0.000 1.028 478 E CA 0.107 56.511 56.400 0.006 0.000 0.899 478 E CB 0.593 30.281 29.700 -0.020 0.000 1.032 478 E HN 0.167 nan 8.360 nan 0.000 0.468 479 T N -1.880 112.686 114.554 0.020 0.000 2.934 479 T HA 0.212 4.567 4.350 0.009 0.000 0.283 479 T C 0.289 175.043 174.700 0.091 0.000 1.005 479 T CA -0.729 61.386 62.100 0.026 0.000 1.041 479 T CB 1.931 70.785 68.868 -0.023 0.000 1.042 479 T HN 0.065 nan 8.240 nan 0.000 0.505 480 H N 1.813 120.872 119.070 -0.018 0.000 2.871 480 H HA -0.032 4.529 4.556 0.009 0.000 0.355 480 H C 1.211 176.554 175.328 0.024 0.000 1.092 480 H CA 0.115 56.148 56.048 -0.024 0.000 1.420 480 H CB 0.507 30.182 29.762 -0.146 0.000 1.400 480 H HN 0.952 nan 8.280 nan 0.000 0.604 481 W N 4.028 125.106 121.300 -0.371 0.000 2.364 481 W HA -0.185 4.481 4.660 0.010 0.000 0.281 481 W C 1.230 177.818 176.519 0.114 0.000 1.219 481 W CA 1.306 58.621 57.345 -0.049 0.000 1.220 481 W CB -1.204 28.179 29.460 -0.128 0.000 1.127 481 W HN 0.562 nan 8.180 nan 0.000 0.556 482 T N 0.493 114.642 114.554 -0.674 0.000 3.025 482 T HA -0.190 4.166 4.350 0.009 0.000 0.270 482 T C 1.938 176.582 174.700 -0.093 0.000 1.126 482 T CA 1.802 63.547 62.100 -0.592 0.000 1.105 482 T CB -1.113 67.398 68.868 -0.595 0.000 0.884 482 T HN 0.233 nan 8.240 nan 0.000 0.522 483 V N -2.318 117.576 119.914 -0.034 0.000 2.469 483 V HA -0.097 4.029 4.120 0.009 0.000 0.251 483 V C 2.207 178.272 176.094 -0.049 0.000 1.064 483 V CA 0.963 63.227 62.300 -0.060 0.000 1.066 483 V CB -1.549 30.188 31.823 -0.143 0.000 0.667 483 V HN 0.624 nan 8.190 nan 0.000 0.461 484 W N 0.325 121.722 121.300 0.162 0.000 2.392 484 W HA 0.058 4.724 4.660 0.010 0.000 0.279 484 W C 2.344 179.005 176.519 0.235 0.000 1.225 484 W CA 1.251 58.712 57.345 0.194 0.000 1.233 484 W CB -0.362 29.220 29.460 0.203 0.000 1.122 484 W HN 0.221 nan 8.180 nan 0.000 0.561 485 I N -0.526 120.280 120.570 0.392 0.000 2.179 485 I HA -0.317 3.859 4.170 0.009 0.000 0.242 485 I C 2.282 178.617 176.117 0.363 0.000 1.088 485 I CA 1.597 63.103 61.300 0.343 0.000 1.357 485 I CB -1.018 37.104 38.000 0.203 0.000 1.051 485 I HN -0.131 nan 8.210 nan 0.000 0.409 486 T N 0.396 115.097 114.554 0.244 0.000 2.737 486 T HA -0.111 4.245 4.350 0.009 0.000 0.265 486 T C 2.003 176.873 174.700 0.283 0.000 1.038 486 T CA 1.113 63.360 62.100 0.245 0.000 1.144 486 T CB -0.215 68.748 68.868 0.160 0.000 0.866 486 T HN 0.270 nan 8.240 nan 0.000 0.434 487 R N 0.286 120.901 120.500 0.190 0.000 2.096 487 R HA -0.106 4.240 4.340 0.009 0.000 0.240 487 R C 2.193 178.651 176.300 0.263 0.000 1.139 487 R CA 1.712 57.877 56.100 0.109 0.000 0.952 487 R CB -0.704 29.502 30.300 -0.156 0.000 0.854 487 R HN 0.349 nan 8.270 nan 0.000 0.436 488 F N 0.682 120.791 119.950 0.264 0.000 2.043 488 F HA -0.316 4.217 4.527 0.009 0.000 0.297 488 F C 2.264 178.215 175.800 0.252 0.000 1.121 488 F CA 1.578 59.735 58.000 0.262 0.000 1.199 488 F CB -0.750 38.419 39.000 0.282 0.000 0.968 488 F HN -0.022 nan 8.300 nan 0.000 0.478 489 Y N 1.474 121.887 120.300 0.188 0.000 2.128 489 Y HA -0.234 4.321 4.550 0.009 0.000 0.284 489 Y C 2.347 178.305 175.900 0.096 0.000 1.154 489 Y CA 2.418 60.560 58.100 0.070 0.000 1.149 489 Y CB -0.728 37.841 38.460 0.181 0.000 0.976 489 Y HN 0.319 nan 8.280 nan 0.000 0.505 490 I N -2.460 118.231 120.570 0.203 0.000 2.546 490 I HA -0.130 4.046 4.170 0.009 0.000 0.255 490 I C 2.006 178.340 176.117 0.363 0.000 1.163 490 I CA 1.295 62.779 61.300 0.306 0.000 1.457 490 I CB -0.643 37.632 38.000 0.459 0.000 1.092 490 I HN 0.151 nan 8.210 nan 0.000 0.434 491 I N 2.446 123.091 120.570 0.125 0.000 2.286 491 I HA -0.150 4.026 4.170 0.009 0.000 0.248 491 I C 2.828 178.923 176.117 -0.036 0.000 1.115 491 I CA 1.561 62.856 61.300 -0.008 0.000 1.392 491 I CB -0.833 37.132 38.000 -0.059 0.000 1.065 491 I HN 0.368 nan 8.210 nan 0.000 0.418 492 G N 1.214 109.890 108.800 -0.207 0.000 2.476 492 G HA2 -0.233 3.732 3.960 0.009 0.000 0.218 492 G HA3 -0.233 3.732 3.960 0.009 0.000 0.218 492 G C 1.696 176.542 174.900 -0.089 0.000 1.164 492 G CA 0.642 45.587 45.100 -0.258 0.000 0.768 492 G HN 0.280 nan 8.290 nan 0.000 0.560 493 L N -0.909 120.262 121.223 -0.087 0.000 2.079 493 L HA -0.032 4.314 4.340 0.009 0.000 0.210 493 L C 2.579 179.646 176.870 0.329 0.000 1.081 493 L CA 1.049 55.971 54.840 0.137 0.000 0.752 493 L CB -0.412 41.748 42.059 0.168 0.000 0.896 493 L HN 0.264 nan 8.230 nan 0.000 0.433 494 F N 0.374 120.393 119.950 0.115 0.000 2.171 494 F HA -0.252 4.280 4.527 0.009 0.000 0.300 494 F C 2.249 178.014 175.800 -0.058 0.000 1.090 494 F CA 1.333 59.249 58.000 -0.140 0.000 1.293 494 F CB 0.021 38.670 39.000 -0.585 0.000 1.013 494 F HN -0.052 nan 8.300 nan 0.000 0.486 495 L N -0.386 120.937 121.223 0.166 0.000 2.093 495 L HA -0.139 4.206 4.340 0.009 0.000 0.208 495 L C 2.138 179.056 176.870 0.081 0.000 1.085 495 L CA 1.692 56.594 54.840 0.103 0.000 0.755 495 L CB -1.290 40.807 42.059 0.064 0.000 0.904 495 L HN 0.267 nan 8.230 nan 0.000 0.435 496 F N -0.171 119.759 119.950 -0.034 0.000 2.102 496 F HA -0.212 4.320 4.527 0.009 0.000 0.298 496 F C 1.999 177.795 175.800 -0.007 0.000 1.105 496 F CA 1.884 59.889 58.000 0.008 0.000 1.239 496 F CB -0.471 38.520 39.000 -0.015 0.000 0.991 496 F HN 0.058 nan 8.300 nan 0.000 0.474 497 L N -0.453 120.593 121.223 -0.295 0.000 2.046 497 L HA -0.220 4.125 4.340 0.009 0.000 0.208 497 L C 2.365 178.969 176.870 -0.444 0.000 1.077 497 L CA 1.766 56.293 54.840 -0.522 0.000 0.747 497 L CB -1.267 40.514 42.059 -0.464 0.000 0.896 497 L HN 0.150 nan 8.230 nan 0.000 0.432 498 T N -0.105 114.228 114.554 -0.369 0.000 2.720 498 T HA -0.246 4.110 4.350 0.009 0.000 0.268 498 T C 1.611 176.293 174.700 -0.030 0.000 1.037 498 T CA 1.613 63.586 62.100 -0.212 0.000 1.144 498 T CB -0.382 68.412 68.868 -0.122 0.000 0.864 498 T HN 0.196 nan 8.240 nan 0.000 0.444 499 F N 1.776 121.627 119.950 -0.165 0.000 2.102 499 F HA 0.009 4.542 4.527 0.009 0.000 0.298 499 F C 1.970 177.746 175.800 -0.039 0.000 1.105 499 F CA 0.892 58.841 58.000 -0.085 0.000 1.239 499 F CB -0.624 38.320 39.000 -0.094 0.000 0.991 499 F HN 0.060 nan 8.300 nan 0.000 0.474 500 L N -0.784 120.254 121.223 -0.307 0.000 2.042 500 L HA -0.241 4.104 4.340 0.009 0.000 0.210 500 L C 2.382 179.224 176.870 -0.046 0.000 1.076 500 L CA 1.173 55.846 54.840 -0.278 0.000 0.749 500 L CB -1.073 40.805 42.059 -0.302 0.000 0.893 500 L HN 0.023 nan 8.230 nan 0.000 0.432 501 V N -0.293 119.601 119.914 -0.033 0.000 2.427 501 V HA -0.309 3.817 4.120 0.009 0.000 0.248 501 V C 2.252 178.325 176.094 -0.036 0.000 1.051 501 V CA 1.856 64.184 62.300 0.047 0.000 1.048 501 V CB -0.613 31.185 31.823 -0.042 0.000 0.666 501 V HN 0.368 nan 8.190 nan 0.000 0.456 502 F N 0.490 120.335 119.950 -0.175 0.000 2.126 502 F HA -0.199 4.334 4.527 0.009 0.000 0.299 502 F C 2.008 177.667 175.800 -0.235 0.000 1.096 502 F CA 1.773 59.668 58.000 -0.175 0.000 1.255 502 F CB -0.184 38.741 39.000 -0.125 0.000 0.997 502 F HN 0.043 nan 8.300 nan 0.000 0.479 503 L N -0.100 120.940 121.223 -0.306 0.000 2.093 503 L HA -0.128 4.218 4.340 0.009 0.000 0.208 503 L C 2.842 179.520 176.870 -0.320 0.000 1.085 503 L CA 0.939 55.548 54.840 -0.385 0.000 0.755 503 L CB -1.265 40.561 42.059 -0.389 0.000 0.904 503 L HN 0.277 nan 8.230 nan 0.000 0.435 504 A N 1.185 123.863 122.820 -0.237 0.000 1.877 504 A HA -0.231 4.095 4.320 0.009 0.000 0.216 504 A C 2.164 179.615 177.584 -0.222 0.000 1.186 504 A CA 1.870 53.779 52.037 -0.212 0.000 0.620 504 A CB -0.500 18.396 19.000 -0.173 0.000 0.822 504 A HN 0.624 nan 8.150 nan 0.000 0.443 505 E N -1.019 119.024 120.200 -0.262 0.000 2.208 505 E HA -0.127 4.229 4.350 0.009 0.000 0.193 505 E C 1.943 178.366 176.600 -0.295 0.000 0.988 505 E CA 0.553 56.794 56.400 -0.265 0.000 0.828 505 E CB -0.197 29.336 29.700 -0.278 0.000 0.763 505 E HN 0.337 nan 8.360 nan 0.000 0.478 506 R N 1.015 121.264 120.500 -0.419 0.000 2.073 506 R HA 0.039 4.385 4.340 0.009 0.000 0.229 506 R C 2.305 178.489 176.300 -0.194 0.000 1.120 506 R CA 0.874 56.754 56.100 -0.366 0.000 0.967 506 R CB -0.583 29.405 30.300 -0.521 0.000 0.862 506 R HN 0.219 nan 8.270 nan 0.000 0.436 507 R N 0.838 121.227 120.500 -0.185 0.000 2.096 507 R HA -0.083 4.263 4.340 0.009 0.000 0.235 507 R C 2.268 178.541 176.300 -0.045 0.000 1.127 507 R CA 1.350 57.393 56.100 -0.095 0.000 0.968 507 R CB -0.074 30.156 30.300 -0.116 0.000 0.861 507 R HN 0.073 nan 8.270 nan 0.000 0.440 508 R N 0.272 120.721 120.500 -0.085 0.000 2.075 508 R HA -0.073 4.273 4.340 0.009 0.000 0.232 508 R C 1.791 178.065 176.300 -0.043 0.000 1.126 508 R CA 2.034 58.098 56.100 -0.060 0.000 0.963 508 R CB -0.152 30.107 30.300 -0.070 0.000 0.858 508 R HN 0.390 nan 8.270 nan 0.000 0.435 509 N N -0.871 117.797 118.700 -0.054 0.000 2.223 509 N HA -0.212 4.534 4.740 0.009 0.000 0.185 509 N C 1.776 177.290 175.510 0.006 0.000 1.016 509 N CA 0.918 53.948 53.050 -0.033 0.000 0.863 509 N CB -0.186 38.268 38.487 -0.054 0.000 0.983 509 N HN 0.339 nan 8.380 nan 0.000 0.429 510 H N 1.431 120.454 119.070 -0.078 0.000 2.326 510 H HA -0.080 4.482 4.556 0.009 0.000 0.301 510 H C 0.583 175.882 175.328 -0.048 0.000 1.081 510 H CA 1.255 57.267 56.048 -0.060 0.000 1.334 510 H CB 0.302 30.025 29.762 -0.066 0.000 1.385 510 H HN 0.341 nan 8.280 nan 0.000 0.504 511 E N 0.000 120.141 120.200 -0.098 0.000 2.725 511 E HA 0.000 4.356 4.350 0.009 0.000 0.291 511 E CA 0.000 56.316 56.400 -0.140 0.000 0.976 511 E CB 0.000 29.663 29.700 -0.061 0.000 0.812 511 E HN 0.000 nan 8.360 nan 0.000 0.440