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 2qju_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.077 176.300 -0.372 0.000 0.893 5 R CA 0.000 55.961 56.100 -0.232 0.000 0.921 5 R CB 0.000 30.138 30.300 -0.270 0.000 0.687 6 E N 2.815 122.816 120.200 -0.331 0.000 2.354 6 E HA 0.236 4.624 4.350 0.063 0.000 0.269 6 E C -0.624 175.664 176.600 -0.520 0.000 1.036 6 E CA -0.204 55.954 56.400 -0.403 0.000 0.876 6 E CB 0.830 30.229 29.700 -0.502 0.000 1.009 6 E HN 0.523 nan 8.360 nan 0.000 0.416 7 H N 0.460 119.407 119.070 -0.204 0.000 2.821 7 H HA 0.222 4.815 4.556 0.062 0.000 0.373 7 H C -1.064 174.126 175.328 -0.230 0.000 1.165 7 H CA -0.914 55.037 56.048 -0.161 0.000 1.154 7 H CB 0.942 30.697 29.762 -0.012 0.000 1.765 7 H HN 0.436 nan 8.280 nan 0.000 0.549 8 W N 1.643 123.023 121.300 0.133 0.000 2.308 8 W HA 0.244 4.940 4.660 0.060 0.000 0.324 8 W C 1.146 177.691 176.519 0.043 0.000 1.387 8 W CA 0.019 57.384 57.345 0.034 0.000 1.250 8 W CB 0.390 29.871 29.460 0.035 0.000 1.257 8 W HN 0.793 nan 8.180 nan 0.000 0.554 9 A N 2.728 125.674 122.820 0.210 0.000 1.858 9 A HA -0.082 4.276 4.320 0.063 0.000 0.216 9 A C 1.226 178.887 177.584 0.130 0.000 1.190 9 A CA 1.977 54.091 52.037 0.129 0.000 0.617 9 A CB -0.932 18.116 19.000 0.081 0.000 0.827 9 A HN 0.579 nan 8.150 nan 0.000 0.443 10 T N -5.135 109.503 114.554 0.141 0.000 2.926 10 T HA 0.545 4.933 4.350 0.063 0.000 0.289 10 T C 0.572 175.330 174.700 0.097 0.000 1.054 10 T CA -0.282 61.877 62.100 0.098 0.000 1.015 10 T CB 1.889 70.795 68.868 0.064 0.000 1.167 10 T HN 0.257 nan 8.240 nan 0.000 0.526 11 R N -0.653 119.883 120.500 0.061 0.000 2.093 11 R HA 0.076 4.453 4.340 0.063 0.000 0.224 11 R C 2.088 178.393 176.300 0.008 0.000 1.101 11 R CA 0.613 56.738 56.100 0.041 0.000 0.979 11 R CB -0.423 29.897 30.300 0.034 0.000 0.877 11 R HN 0.585 nan 8.270 nan 0.000 0.441 12 L N 0.416 121.644 121.223 0.008 0.000 2.046 12 L HA 0.031 4.408 4.340 0.063 0.000 0.208 12 L C 2.079 178.935 176.870 -0.024 0.000 1.077 12 L CA 2.258 57.093 54.840 -0.009 0.000 0.747 12 L CB -0.930 41.127 42.059 -0.003 0.000 0.896 12 L HN 0.251 nan 8.230 nan 0.000 0.432 13 G N -0.455 108.345 108.800 -0.000 0.000 2.422 13 G HA2 -0.285 3.713 3.960 0.063 0.000 0.218 13 G HA3 -0.285 3.713 3.960 0.063 0.000 0.218 13 G C 1.571 176.387 174.900 -0.139 0.000 1.146 13 G CA 0.979 46.079 45.100 0.000 0.000 0.769 13 G HN 0.422 nan 8.290 nan 0.000 0.547 14 L N 0.827 121.924 121.223 -0.209 0.000 1.994 14 L HA -0.010 4.368 4.340 0.063 0.000 0.208 14 L C 2.592 179.251 176.870 -0.352 0.000 1.071 14 L CA 1.428 55.921 54.840 -0.578 0.000 0.745 14 L CB -0.421 41.420 42.059 -0.363 0.000 0.892 14 L HN 0.102 nan 8.230 nan 0.000 0.431 15 I N -0.309 120.189 120.570 -0.120 0.000 2.163 15 I HA -0.303 3.905 4.170 0.063 0.000 0.243 15 I C 2.598 178.686 176.117 -0.048 0.000 1.085 15 I CA 1.555 62.839 61.300 -0.028 0.000 1.347 15 I CB -1.305 36.687 38.000 -0.014 0.000 1.044 15 I HN 0.330 nan 8.210 nan 0.000 0.408 16 L N 0.339 121.519 121.223 -0.072 0.000 2.201 16 L HA -0.109 4.268 4.340 0.063 0.000 0.212 16 L C 2.713 179.550 176.870 -0.055 0.000 1.105 16 L CA 0.963 55.771 54.840 -0.054 0.000 0.775 16 L CB -0.611 41.418 42.059 -0.049 0.000 0.913 16 L HN 0.181 nan 8.230 nan 0.000 0.440 17 A N -0.344 122.396 122.820 -0.132 0.000 1.898 17 A HA -0.127 4.231 4.320 0.063 0.000 0.214 17 A C 2.304 179.910 177.584 0.037 0.000 1.183 17 A CA 1.023 52.999 52.037 -0.101 0.000 0.622 17 A CB -0.233 18.507 19.000 -0.432 0.000 0.824 17 A HN 0.211 nan 8.150 nan 0.000 0.444 18 M N -0.417 119.151 119.600 -0.055 0.000 2.254 18 M HA -0.046 4.472 4.480 0.063 0.000 0.265 18 M C 2.430 178.761 176.300 0.052 0.000 1.066 18 M CA 1.426 56.757 55.300 0.051 0.000 1.123 18 M CB -1.110 31.548 32.600 0.096 0.000 1.388 18 M HN 0.499 nan 8.290 nan 0.000 0.425 19 A N 0.093 122.935 122.820 0.037 0.000 1.929 19 A HA 0.063 4.421 4.320 0.063 0.000 0.216 19 A C 2.353 179.953 177.584 0.027 0.000 1.176 19 A CA 1.688 53.744 52.037 0.032 0.000 0.628 19 A CB -1.207 17.804 19.000 0.018 0.000 0.816 19 A HN 0.501 nan 8.150 nan 0.000 0.444 20 G N 0.004 108.822 108.800 0.030 0.000 2.448 20 G HA2 -0.248 3.750 3.960 0.063 0.000 0.218 20 G HA3 -0.248 3.750 3.960 0.063 0.000 0.218 20 G C 1.510 176.417 174.900 0.011 0.000 1.135 20 G CA 1.038 46.159 45.100 0.035 0.000 0.784 20 G HN 0.539 nan 8.290 nan 0.000 0.543 21 N N 1.507 120.199 118.700 -0.012 0.000 2.106 21 N HA -0.049 4.729 4.740 0.063 0.000 0.188 21 N C 2.411 177.811 175.510 -0.182 0.000 1.029 21 N CA 1.604 54.559 53.050 -0.159 0.000 0.848 21 N CB -0.324 37.993 38.487 -0.284 0.000 1.007 21 N HN 0.232 nan 8.380 nan 0.000 0.423 22 A N 0.936 123.696 122.820 -0.100 0.000 1.874 22 A HA 0.130 4.488 4.320 0.063 0.000 0.214 22 A C 0.960 178.527 177.584 -0.028 0.000 1.189 22 A CA 0.372 52.361 52.037 -0.080 0.000 0.615 22 A CB -0.598 18.389 19.000 -0.021 0.000 0.830 22 A HN 0.070 nan 8.150 nan 0.000 0.443 23 V N 0.989 120.914 119.914 0.018 0.000 2.403 23 V HA 0.488 4.646 4.120 0.063 0.000 0.265 23 V C 0.834 177.007 176.094 0.132 0.000 1.034 23 V CA 0.477 62.823 62.300 0.077 0.000 1.036 23 V CB -0.279 31.610 31.823 0.111 0.000 1.032 23 V HN 0.637 nan 8.190 nan 0.000 0.478 24 G N 3.003 111.913 108.800 0.182 0.000 2.896 24 G HA2 0.407 4.405 3.960 0.063 0.000 0.247 24 G HA3 0.407 4.405 3.960 0.063 0.000 0.247 24 G C 0.284 175.394 174.900 0.349 0.000 1.187 24 G CA -0.787 44.470 45.100 0.261 0.000 0.837 24 G HN 0.444 nan 8.290 nan 0.000 0.559 25 L N 1.078 122.512 121.223 0.352 0.000 2.265 25 L HA 0.054 4.432 4.340 0.063 0.000 0.215 25 L C 2.859 179.944 176.870 0.358 0.000 1.117 25 L CA 1.243 56.245 54.840 0.271 0.000 0.782 25 L CB -0.416 41.670 42.059 0.044 0.000 0.914 25 L HN 0.609 nan 8.230 nan 0.000 0.441 26 G N -0.040 109.053 108.800 0.488 0.000 2.448 26 G HA2 -0.209 3.789 3.960 0.063 0.000 0.218 26 G HA3 -0.209 3.789 3.960 0.063 0.000 0.218 26 G C 1.303 176.379 174.900 0.294 0.000 1.135 26 G CA 0.591 45.993 45.100 0.502 0.000 0.784 26 G HN 0.380 nan 8.290 nan 0.000 0.543 27 N N 0.183 118.969 118.700 0.144 0.000 2.207 27 N HA 0.034 4.812 4.740 0.063 0.000 0.182 27 N C 1.517 176.877 175.510 -0.250 0.000 1.020 27 N CA 0.937 53.885 53.050 -0.169 0.000 0.858 27 N CB -0.267 37.929 38.487 -0.486 0.000 0.991 27 N HN 0.375 nan 8.380 nan 0.000 0.427 28 F N -0.421 119.635 119.950 0.176 0.000 2.530 28 F HA 0.327 4.896 4.527 0.070 0.000 0.292 28 F C 1.669 177.616 175.800 0.245 0.000 1.109 28 F CA 0.264 58.389 58.000 0.209 0.000 1.450 28 F CB 0.110 39.162 39.000 0.087 0.000 1.114 28 F HN -0.065 nan 8.300 nan 0.000 0.560 29 L N -1.209 120.214 121.223 0.333 0.000 2.433 29 L HA 0.177 4.555 4.340 0.063 0.000 0.200 29 L C 2.436 179.421 176.870 0.192 0.000 1.059 29 L CA 0.361 55.368 54.840 0.279 0.000 0.835 29 L CB -0.258 41.969 42.059 0.281 0.000 1.076 29 L HN -0.109 nan 8.230 nan 0.000 0.481 30 R N 0.018 120.618 120.500 0.166 0.000 2.055 30 R HA -0.140 4.238 4.340 0.063 0.000 0.226 30 R C 2.387 178.711 176.300 0.040 0.000 1.135 30 R CA 1.445 57.582 56.100 0.061 0.000 0.959 30 R CB -0.311 29.984 30.300 -0.008 0.000 0.854 30 R HN 0.103 nan 8.270 nan 0.000 0.431 31 F N 2.116 122.059 119.950 -0.012 0.000 2.063 31 F HA -0.135 4.429 4.527 0.062 0.000 0.298 31 F C -1.196 174.501 175.800 -0.172 0.000 1.109 31 F CA 1.572 59.525 58.000 -0.079 0.000 1.212 31 F CB -1.067 37.892 39.000 -0.068 0.000 0.973 31 F HN 0.063 nan 8.300 nan 0.000 0.480 32 P HA -0.185 nan 4.420 nan 0.000 0.216 32 P C 2.074 179.173 177.300 -0.335 0.000 1.153 32 P CA 2.108 65.050 63.100 -0.264 0.000 0.858 32 P CB -0.092 31.605 31.700 -0.006 0.000 0.789 33 V N -0.339 119.432 119.914 -0.238 0.000 2.307 33 V HA -0.236 3.922 4.120 0.063 0.000 0.245 33 V C 2.532 178.400 176.094 -0.377 0.000 1.045 33 V CA 1.684 63.843 62.300 -0.235 0.000 1.024 33 V CB -1.190 30.541 31.823 -0.153 0.000 0.651 33 V HN 0.120 nan 8.190 nan 0.000 0.449 34 Q N 0.043 119.552 119.800 -0.484 0.000 2.096 34 Q HA -0.165 4.212 4.340 0.063 0.000 0.204 34 Q C 2.418 177.663 176.000 -1.258 0.000 0.982 34 Q CA 2.020 57.399 55.803 -0.706 0.000 0.850 34 Q CB -0.700 27.687 28.738 -0.585 0.000 0.901 34 Q HN 0.655 nan 8.270 nan 0.000 0.422 35 A N 1.052 123.029 122.820 -1.404 0.000 1.855 35 A HA -0.032 4.325 4.320 0.063 0.000 0.215 35 A C 2.352 179.523 177.584 -0.689 0.000 1.191 35 A CA 1.905 53.134 52.037 -1.347 0.000 0.613 35 A CB -0.762 17.475 19.000 -1.271 0.000 0.829 35 A HN 0.362 nan 8.150 nan 0.000 0.442 36 A N -0.587 121.986 122.820 -0.412 0.000 1.933 36 A HA -0.176 4.182 4.320 0.063 0.000 0.218 36 A C 1.961 179.503 177.584 -0.070 0.000 1.175 36 A CA 1.782 53.795 52.037 -0.040 0.000 0.628 36 A CB -0.506 18.481 19.000 -0.022 0.000 0.814 36 A HN 0.638 nan 8.150 nan 0.000 0.444 37 E N -0.258 119.814 120.200 -0.213 0.000 2.347 37 E HA -0.074 4.314 4.350 0.063 0.000 0.196 37 E C 0.131 176.638 176.600 -0.156 0.000 1.008 37 E CA 0.556 56.854 56.400 -0.170 0.000 0.852 37 E CB 0.034 29.614 29.700 -0.200 0.000 0.783 37 E HN 0.544 nan 8.360 nan 0.000 0.505 38 N N -0.483 118.081 118.700 -0.227 0.000 2.467 38 N HA 0.106 4.884 4.740 0.063 0.000 0.278 38 N C 0.019 175.463 175.510 -0.110 0.000 1.306 38 N CA 0.604 53.570 53.050 -0.141 0.000 0.905 38 N CB 1.495 39.928 38.487 -0.090 0.000 1.236 38 N HN 0.202 nan 8.380 nan 0.000 0.509 39 G N 0.481 109.230 108.800 -0.084 0.000 2.143 39 G HA2 -0.308 3.690 3.960 0.063 0.000 0.248 39 G HA3 -0.308 3.690 3.960 0.063 0.000 0.248 39 G C 1.001 175.650 174.900 -0.417 0.000 0.991 39 G CA 0.599 45.641 45.100 -0.098 0.000 0.689 39 G HN 0.693 nan 8.290 nan 0.000 0.522 40 G N -0.216 108.210 108.800 -0.624 0.000 3.024 40 G HA2 -0.105 3.893 3.960 0.063 0.000 0.339 40 G HA3 -0.105 3.893 3.960 0.063 0.000 0.339 40 G C 2.184 176.683 174.900 -0.667 0.000 1.200 40 G CA 2.085 46.554 45.100 -1.053 0.000 0.968 40 G HN 1.959 nan 8.290 nan 0.000 0.593 41 G N 0.612 109.016 108.800 -0.661 0.000 2.448 41 G HA2 0.231 4.228 3.960 0.063 0.000 0.219 41 G HA3 0.231 4.228 3.960 0.063 0.000 0.219 41 G C 2.033 176.747 174.900 -0.310 0.000 1.127 41 G CA 2.624 47.472 45.100 -0.419 0.000 0.766 41 G HN 1.775 nan 8.290 nan 0.000 0.552 42 A N -0.027 122.625 122.820 -0.280 0.000 2.067 42 A HA 0.178 4.536 4.320 0.063 0.000 0.219 42 A C 2.004 179.486 177.584 -0.170 0.000 1.158 42 A CA 1.179 53.090 52.037 -0.211 0.000 0.661 42 A CB -0.368 18.541 19.000 -0.152 0.000 0.801 42 A HN 0.428 nan 8.150 nan 0.000 0.452 43 F N -0.457 119.294 119.950 -0.333 0.000 2.335 43 F HA 0.015 4.579 4.527 0.063 0.000 0.296 43 F C 1.976 177.630 175.800 -0.242 0.000 1.091 43 F CA 1.005 58.822 58.000 -0.305 0.000 1.399 43 F CB -0.027 38.760 39.000 -0.355 0.000 1.067 43 F HN 0.054 nan 8.300 nan 0.000 0.520 44 M N 0.223 119.690 119.600 -0.223 0.000 2.213 44 M HA -0.168 4.350 4.480 0.063 0.000 0.263 44 M C 2.168 178.402 176.300 -0.110 0.000 1.062 44 M CA 1.079 56.261 55.300 -0.197 0.000 1.105 44 M CB -1.145 31.311 32.600 -0.240 0.000 1.385 44 M HN 0.154 nan 8.290 nan 0.000 0.417 45 I N 0.404 120.880 120.570 -0.157 0.000 2.113 45 I HA -0.181 4.027 4.170 0.063 0.000 0.238 45 I C -0.347 175.653 176.117 -0.196 0.000 1.070 45 I CA 1.667 62.911 61.300 -0.093 0.000 1.332 45 I CB -2.808 35.164 38.000 -0.046 0.000 1.044 45 I HN 0.115 nan 8.210 nan 0.000 0.402 46 P HA -0.192 nan 4.420 nan 0.000 0.218 46 P C 1.879 178.943 177.300 -0.394 0.000 1.149 46 P CA 1.283 63.871 63.100 -0.854 0.000 0.817 46 P CB -0.200 30.657 31.700 -1.405 0.000 0.785 47 Y N 0.282 120.271 120.300 -0.518 0.000 2.145 47 Y HA -0.173 4.414 4.550 0.062 0.000 0.286 47 Y C 2.023 177.874 175.900 -0.081 0.000 1.145 47 Y CA 1.522 59.402 58.100 -0.367 0.000 1.148 47 Y CB -0.787 37.364 38.460 -0.515 0.000 0.981 47 Y HN -0.181 nan 8.280 nan 0.000 0.507 48 I N -0.294 120.317 120.570 0.069 0.000 2.252 48 I HA -0.302 3.906 4.170 0.063 0.000 0.245 48 I C 2.210 178.384 176.117 0.094 0.000 1.102 48 I CA 1.362 62.733 61.300 0.118 0.000 1.385 48 I CB -0.361 37.746 38.000 0.178 0.000 1.064 48 I HN 0.253 nan 8.210 nan 0.000 0.414 49 I N 0.880 121.487 120.570 0.062 0.000 2.252 49 I HA -0.250 3.957 4.170 0.063 0.000 0.245 49 I C 2.810 178.939 176.117 0.019 0.000 1.102 49 I CA 1.250 62.599 61.300 0.082 0.000 1.385 49 I CB -0.455 37.672 38.000 0.212 0.000 1.064 49 I HN 0.163 nan 8.210 nan 0.000 0.414 50 A N 0.638 123.481 122.820 0.039 0.000 1.933 50 A HA -0.253 4.105 4.320 0.063 0.000 0.218 50 A C 2.206 179.753 177.584 -0.061 0.000 1.175 50 A CA 1.373 53.431 52.037 0.033 0.000 0.628 50 A CB -0.868 18.201 19.000 0.117 0.000 0.814 50 A HN 0.462 nan 8.150 nan 0.000 0.444 51 F N 0.561 120.359 119.950 -0.254 0.000 2.146 51 F HA -0.073 4.492 4.527 0.063 0.000 0.298 51 F C 1.807 177.506 175.800 -0.168 0.000 1.096 51 F CA 1.537 59.376 58.000 -0.267 0.000 1.275 51 F CB -0.278 38.536 39.000 -0.310 0.000 1.008 51 F HN 0.133 nan 8.300 nan 0.000 0.480 52 L N -0.470 120.630 121.223 -0.205 0.000 2.109 52 L HA -0.131 4.247 4.340 0.063 0.000 0.207 52 L C 2.132 178.946 176.870 -0.095 0.000 1.086 52 L CA 0.911 55.641 54.840 -0.184 0.000 0.760 52 L CB -0.517 41.531 42.059 -0.018 0.000 0.910 52 L HN 0.181 nan 8.230 nan 0.000 0.437 53 L N -1.808 119.325 121.223 -0.150 0.000 2.513 53 L HA 0.052 4.430 4.340 0.063 0.000 0.222 53 L C 1.638 178.402 176.870 -0.178 0.000 1.096 53 L CA -0.030 54.708 54.840 -0.170 0.000 0.857 53 L CB 0.435 42.273 42.059 -0.367 0.000 1.026 53 L HN 0.030 nan 8.230 nan 0.000 0.469 54 V N -1.526 118.269 119.914 -0.199 0.000 3.102 54 V HA 0.209 4.366 4.120 0.063 0.000 0.225 54 V C 2.271 178.176 176.094 -0.315 0.000 1.301 54 V CA 0.914 63.104 62.300 -0.182 0.000 1.308 54 V CB -0.151 31.640 31.823 -0.053 0.000 1.129 54 V HN 0.285 nan 8.190 nan 0.000 0.502 55 G N 1.299 109.894 108.800 -0.342 0.000 2.511 55 G HA2 -0.204 3.794 3.960 0.063 0.000 0.216 55 G HA3 -0.204 3.794 3.960 0.063 0.000 0.216 55 G C 1.459 176.047 174.900 -0.519 0.000 1.218 55 G CA 1.383 46.260 45.100 -0.372 0.000 0.788 55 G HN 0.290 nan 8.290 nan 0.000 0.560 56 I N 2.488 122.578 120.570 -0.801 0.000 2.127 56 I HA -0.101 4.106 4.170 0.063 0.000 0.241 56 I C 0.375 175.945 176.117 -0.911 0.000 1.075 56 I CA 1.426 62.117 61.300 -1.016 0.000 1.334 56 I CB -2.016 35.280 38.000 -1.173 0.000 1.040 56 I HN 0.192 nan 8.210 nan 0.000 0.405 57 P HA -0.163 nan 4.420 nan 0.000 0.215 57 P C 2.245 179.452 177.300 -0.156 0.000 1.153 57 P CA 1.568 64.498 63.100 -0.284 0.000 0.853 57 P CB -0.059 31.555 31.700 -0.144 0.000 0.788 58 L N -1.895 119.205 121.223 -0.204 0.000 2.201 58 L HA -0.104 4.274 4.340 0.063 0.000 0.212 58 L C 2.800 179.633 176.870 -0.062 0.000 1.105 58 L CA 0.974 55.743 54.840 -0.119 0.000 0.775 58 L CB -0.684 41.270 42.059 -0.175 0.000 0.913 58 L HN -0.017 nan 8.230 nan 0.000 0.440 59 M N -0.642 118.862 119.600 -0.159 0.000 2.086 59 M HA -0.223 4.295 4.480 0.063 0.000 0.261 59 M C 1.939 178.315 176.300 0.126 0.000 1.067 59 M CA 1.958 57.228 55.300 -0.051 0.000 1.116 59 M CB -0.511 31.926 32.600 -0.272 0.000 1.348 59 M HN 0.145 nan 8.290 nan 0.000 0.407 60 W N 0.381 121.649 121.300 -0.054 0.000 2.358 60 W HA -0.076 4.622 4.660 0.063 0.000 0.303 60 W C 2.315 178.874 176.519 0.067 0.000 1.208 60 W CA 1.103 58.413 57.345 -0.058 0.000 1.274 60 W CB -1.150 28.217 29.460 -0.155 0.000 1.138 60 W HN 0.258 nan 8.180 nan 0.000 0.515 61 I N 0.191 120.928 120.570 0.279 0.000 2.226 61 I HA -0.294 3.914 4.170 0.063 0.000 0.245 61 I C 2.191 178.307 176.117 -0.001 0.000 1.100 61 I CA 1.509 62.915 61.300 0.178 0.000 1.374 61 I CB -0.520 37.579 38.000 0.165 0.000 1.057 61 I HN -0.018 nan 8.210 nan 0.000 0.413 62 E N -0.284 119.970 120.200 0.091 0.000 2.152 62 E HA -0.215 4.173 4.350 0.063 0.000 0.192 62 E C 2.035 178.703 176.600 0.114 0.000 0.983 62 E CA 1.134 57.572 56.400 0.063 0.000 0.818 62 E CB -0.103 29.650 29.700 0.089 0.000 0.758 62 E HN 0.506 nan 8.360 nan 0.000 0.467 63 W N 1.030 122.347 121.300 0.029 0.000 2.388 63 W HA -0.085 4.613 4.660 0.062 0.000 0.294 63 W C 2.516 179.063 176.519 0.046 0.000 1.212 63 W CA 1.328 58.714 57.345 0.068 0.000 1.271 63 W CB -0.333 29.197 29.460 0.117 0.000 1.126 63 W HN 0.063 nan 8.180 nan 0.000 0.535 64 A N -0.359 122.607 122.820 0.243 0.000 1.873 64 A HA -0.194 4.164 4.320 0.063 0.000 0.215 64 A C 1.930 179.490 177.584 -0.040 0.000 1.186 64 A CA 1.853 53.963 52.037 0.122 0.000 0.616 64 A CB -0.847 18.244 19.000 0.152 0.000 0.823 64 A HN 0.226 nan 8.150 nan 0.000 0.442 65 M N -0.399 119.010 119.600 -0.317 0.000 2.159 65 M HA -0.098 4.419 4.480 0.063 0.000 0.263 65 M C 2.273 178.570 176.300 -0.006 0.000 1.063 65 M CA 1.399 56.513 55.300 -0.312 0.000 1.110 65 M CB -0.576 31.790 32.600 -0.389 0.000 1.374 65 M HN 0.519 nan 8.290 nan 0.000 0.411 66 G N 0.057 108.863 108.800 0.010 0.000 2.433 66 G HA2 -0.229 3.769 3.960 0.063 0.000 0.216 66 G HA3 -0.229 3.769 3.960 0.063 0.000 0.216 66 G C 1.560 176.496 174.900 0.059 0.000 1.186 66 G CA 0.840 45.954 45.100 0.025 0.000 0.779 66 G HN 0.384 nan 8.290 nan 0.000 0.543 67 R N -0.951 119.620 120.500 0.118 0.000 2.105 67 R HA -0.150 4.228 4.340 0.063 0.000 0.239 67 R C 2.261 178.654 176.300 0.154 0.000 1.135 67 R CA 1.542 57.732 56.100 0.149 0.000 0.967 67 R CB -0.515 29.910 30.300 0.208 0.000 0.861 67 R HN 0.452 nan 8.270 nan 0.000 0.442 68 Y N 0.194 120.525 120.300 0.052 0.000 2.145 68 Y HA -0.081 4.506 4.550 0.063 0.000 0.286 68 Y C 2.116 178.047 175.900 0.050 0.000 1.145 68 Y CA 1.988 60.123 58.100 0.059 0.000 1.148 68 Y CB -0.738 37.749 38.460 0.045 0.000 0.981 68 Y HN 0.140 nan 8.280 nan 0.000 0.507 69 G N -0.714 108.149 108.800 0.106 0.000 2.402 69 G HA2 -0.212 3.786 3.960 0.063 0.000 0.216 69 G HA3 -0.212 3.786 3.960 0.063 0.000 0.216 69 G C 1.899 176.785 174.900 -0.024 0.000 1.162 69 G CA 0.659 45.782 45.100 0.039 0.000 0.777 69 G HN 0.610 nan 8.290 nan 0.000 0.539 70 G N 1.066 109.840 108.800 -0.044 0.000 2.450 70 G HA2 0.029 4.027 3.960 0.063 0.000 0.220 70 G HA3 0.029 4.027 3.960 0.063 0.000 0.220 70 G C 1.954 176.815 174.900 -0.064 0.000 1.130 70 G CA 1.430 46.470 45.100 -0.100 0.000 0.760 70 G HN 0.654 nan 8.290 nan 0.000 0.557 71 A N -0.080 122.712 122.820 -0.048 0.000 2.067 71 A HA 0.023 4.381 4.320 0.063 0.000 0.219 71 A C 2.103 179.634 177.584 -0.088 0.000 1.158 71 A CA 1.369 53.380 52.037 -0.044 0.000 0.661 71 A CB -0.118 18.847 19.000 -0.058 0.000 0.801 71 A HN 0.471 nan 8.150 nan 0.000 0.452 72 Q N -1.548 118.177 119.800 -0.125 0.000 2.188 72 Q HA 0.329 4.706 4.340 0.063 0.000 0.212 72 Q C 0.723 176.584 176.000 -0.232 0.000 0.846 72 Q CA 0.184 55.918 55.803 -0.115 0.000 0.989 72 Q CB 0.422 29.128 28.738 -0.053 0.000 1.114 72 Q HN 0.784 nan 8.270 nan 0.000 0.488 73 G N 1.634 110.283 108.800 -0.252 0.000 2.160 73 G HA2 -0.218 3.780 3.960 0.063 0.000 0.244 73 G HA3 -0.218 3.780 3.960 0.063 0.000 0.244 73 G C -0.388 174.161 174.900 -0.586 0.000 1.022 73 G CA -0.111 44.757 45.100 -0.387 0.000 0.741 73 G HN 0.431 nan 8.290 nan 0.000 0.508 74 H N -1.133 117.882 119.070 -0.093 0.000 2.689 74 H HA 0.557 5.151 4.556 0.063 0.000 0.346 74 H C 0.899 176.168 175.328 -0.098 0.000 1.037 74 H CA -0.064 55.939 56.048 -0.075 0.000 1.234 74 H CB 1.626 31.372 29.762 -0.026 0.000 1.572 74 H HN 0.255 nan 8.280 nan 0.000 0.524 75 G N 1.902 110.706 108.800 0.007 0.000 3.062 75 G HA2 0.022 4.020 3.960 0.063 0.000 0.228 75 G HA3 0.022 4.020 3.960 0.063 0.000 0.228 75 G C 0.357 175.264 174.900 0.012 0.000 1.094 75 G CA 0.100 45.153 45.100 -0.077 0.000 0.782 75 G HN 0.571 nan 8.290 nan 0.000 0.541 76 T N -2.810 111.788 114.554 0.073 0.000 2.932 76 T HA 0.441 4.829 4.350 0.063 0.000 0.289 76 T C 1.572 176.280 174.700 0.012 0.000 1.039 76 T CA 0.383 62.521 62.100 0.064 0.000 1.024 76 T CB 1.520 70.467 68.868 0.132 0.000 1.090 76 T HN 0.027 nan 8.240 nan 0.000 0.496 77 T N -1.815 112.685 114.554 -0.091 0.000 2.833 77 T HA 0.002 4.390 4.350 0.063 0.000 0.269 77 T C -1.050 173.466 174.700 -0.306 0.000 1.054 77 T CA 0.873 62.766 62.100 -0.344 0.000 1.135 77 T CB -1.798 66.661 68.868 -0.681 0.000 0.869 77 T HN 0.434 nan 8.240 nan 0.000 0.466 78 P HA 0.057 nan 4.420 nan 0.000 0.216 78 P C 1.731 179.035 177.300 0.007 0.000 1.150 78 P CA 1.540 64.595 63.100 -0.075 0.000 0.837 78 P CB -0.294 31.368 31.700 -0.063 0.000 0.786 79 A N -1.145 121.672 122.820 -0.004 0.000 1.878 79 A HA -0.039 4.319 4.320 0.063 0.000 0.213 79 A C 2.151 179.751 177.584 0.026 0.000 1.192 79 A CA 0.849 52.830 52.037 -0.094 0.000 0.619 79 A CB -1.361 17.417 19.000 -0.370 0.000 0.837 79 A HN 0.044 nan 8.150 nan 0.000 0.446 80 I N -1.089 119.534 120.570 0.088 0.000 2.226 80 I HA -0.229 3.979 4.170 0.063 0.000 0.245 80 I C 2.136 178.480 176.117 0.378 0.000 1.100 80 I CA 1.192 62.617 61.300 0.207 0.000 1.374 80 I CB -0.413 37.701 38.000 0.189 0.000 1.057 80 I HN 0.218 nan 8.210 nan 0.000 0.413 81 F N 0.114 120.156 119.950 0.153 0.000 2.216 81 F HA -0.240 4.325 4.527 0.063 0.000 0.300 81 F C 2.466 178.427 175.800 0.269 0.000 1.085 81 F CA 1.043 59.167 58.000 0.207 0.000 1.326 81 F CB -1.271 37.869 39.000 0.233 0.000 1.027 81 F HN 0.100 nan 8.300 nan 0.000 0.497 82 Y N 0.312 120.777 120.300 0.274 0.000 2.263 82 Y HA -0.107 4.480 4.550 0.063 0.000 0.292 82 Y C 2.121 178.118 175.900 0.163 0.000 1.130 82 Y CA 1.183 59.372 58.100 0.148 0.000 1.179 82 Y CB -0.484 37.997 38.460 0.036 0.000 0.998 82 Y HN -0.034 nan 8.280 nan 0.000 0.532 83 L N -0.736 120.587 121.223 0.167 0.000 2.141 83 L HA -0.214 4.163 4.340 0.063 0.000 0.209 83 L C 2.078 179.064 176.870 0.193 0.000 1.094 83 L CA 1.107 56.031 54.840 0.140 0.000 0.763 83 L CB -0.488 41.708 42.059 0.229 0.000 0.908 83 L HN 0.249 nan 8.230 nan 0.000 0.437 84 L N -2.395 118.938 121.223 0.184 0.000 2.375 84 L HA -0.027 4.351 4.340 0.063 0.000 0.215 84 L C 0.338 177.429 176.870 0.368 0.000 1.108 84 L CA 0.158 55.072 54.840 0.124 0.000 0.830 84 L CB 0.020 42.048 42.059 -0.051 0.000 0.959 84 L HN 0.293 nan 8.230 nan 0.000 0.457 85 W N 1.254 122.603 121.300 0.081 0.000 2.740 85 W HA 0.322 5.019 4.660 0.062 0.000 0.316 85 W C -0.454 176.057 176.519 -0.013 0.000 1.020 85 W CA -1.383 56.006 57.345 0.074 0.000 1.278 85 W CB 0.679 30.202 29.460 0.106 0.000 1.224 85 W HN -0.208 nan 8.180 nan 0.000 0.393 86 R N 4.662 125.114 120.500 -0.081 0.000 3.572 86 R HA 0.091 4.468 4.340 0.063 0.000 0.186 86 R C -0.267 175.875 176.300 -0.263 0.000 1.727 86 R CA 0.163 55.985 56.100 -0.462 0.000 1.267 86 R CB -0.776 29.338 30.300 -0.310 0.000 1.318 86 R HN 0.399 nan 8.270 nan 0.000 0.718 87 N N 1.032 119.562 118.700 -0.283 0.000 2.287 87 N HA 0.149 4.927 4.740 0.063 0.000 0.289 87 N C 0.633 176.108 175.510 -0.059 0.000 1.066 87 N CA -0.566 52.278 53.050 -0.344 0.000 0.841 87 N CB 1.326 39.091 38.487 -1.203 0.000 1.599 87 N HN 0.006 nan 8.380 nan 0.000 0.476 88 R N 1.492 121.999 120.500 0.012 0.000 2.170 88 R HA -0.116 4.262 4.340 0.063 0.000 0.242 88 R C 1.422 177.729 176.300 0.012 0.000 1.145 88 R CA 1.039 57.135 56.100 -0.006 0.000 0.984 88 R CB -0.663 29.650 30.300 0.021 0.000 0.869 88 R HN 0.597 nan 8.270 nan 0.000 0.455 89 F N 1.033 120.885 119.950 -0.163 0.000 2.234 89 F HA -0.079 4.486 4.527 0.063 0.000 0.299 89 F C 2.193 177.989 175.800 -0.006 0.000 1.087 89 F CA 1.031 58.982 58.000 -0.081 0.000 1.340 89 F CB -0.221 38.726 39.000 -0.088 0.000 1.031 89 F HN 0.026 nan 8.300 nan 0.000 0.500 90 A N -0.069 122.720 122.820 -0.052 0.000 2.024 90 A HA -0.220 4.137 4.320 0.063 0.000 0.220 90 A C 2.200 179.943 177.584 0.265 0.000 1.164 90 A CA 1.796 53.967 52.037 0.223 0.000 0.643 90 A CB -0.593 18.558 19.000 0.251 0.000 0.806 90 A HN 0.444 nan 8.150 nan 0.000 0.451 91 K N -0.507 119.938 120.400 0.075 0.000 2.103 91 K HA 0.069 4.426 4.320 0.063 0.000 0.204 91 K C 1.715 178.274 176.600 -0.068 0.000 1.052 91 K CA 1.211 57.488 56.287 -0.018 0.000 0.945 91 K CB -0.242 32.168 32.500 -0.151 0.000 0.722 91 K HN 0.534 nan 8.250 nan 0.000 0.443 92 I N 1.091 121.584 120.570 -0.128 0.000 2.163 92 I HA -0.284 3.924 4.170 0.063 0.000 0.240 92 I C 2.135 178.238 176.117 -0.022 0.000 1.081 92 I CA 1.257 62.451 61.300 -0.176 0.000 1.353 92 I CB -0.310 37.502 38.000 -0.313 0.000 1.054 92 I HN 0.112 nan 8.210 nan 0.000 0.407 93 L N 0.639 121.901 121.223 0.064 0.000 2.127 93 L HA -0.172 4.206 4.340 0.063 0.000 0.211 93 L C 2.567 179.820 176.870 0.638 0.000 1.089 93 L CA 1.478 56.622 54.840 0.507 0.000 0.757 93 L CB -1.073 41.313 42.059 0.546 0.000 0.899 93 L HN 0.361 nan 8.230 nan 0.000 0.434 94 G N -0.789 108.206 108.800 0.324 0.000 2.509 94 G HA2 -0.124 3.873 3.960 0.063 0.000 0.218 94 G HA3 -0.124 3.873 3.960 0.063 0.000 0.218 94 G C 1.553 176.381 174.900 -0.119 0.000 1.124 94 G CA 0.506 45.561 45.100 -0.075 0.000 0.776 94 G HN 0.217 nan 8.290 nan 0.000 0.547 95 V N 0.352 120.162 119.914 -0.174 0.000 2.490 95 V HA -0.129 4.028 4.120 0.063 0.000 0.250 95 V C 2.362 178.252 176.094 -0.341 0.000 1.061 95 V CA 1.204 63.230 62.300 -0.457 0.000 1.064 95 V CB -0.646 30.627 31.823 -0.917 0.000 0.670 95 V HN 0.344 nan 8.190 nan 0.000 0.461 96 F N 1.449 121.371 119.950 -0.047 0.000 2.333 96 F HA -0.046 4.519 4.527 0.062 0.000 0.300 96 F C 2.300 177.758 175.800 -0.569 0.000 1.083 96 F CA 1.350 59.297 58.000 -0.089 0.000 1.395 96 F CB -0.899 38.074 39.000 -0.044 0.000 1.056 96 F HN 0.234 nan 8.300 nan 0.000 0.529 97 G N -0.800 107.707 108.800 -0.488 0.000 2.650 97 G HA2 -0.026 3.972 3.960 0.063 0.000 0.214 97 G HA3 -0.026 3.972 3.960 0.063 0.000 0.214 97 G C 1.494 176.281 174.900 -0.189 0.000 1.136 97 G CA 0.425 45.277 45.100 -0.414 0.000 0.789 97 G HN 0.363 nan 8.290 nan 0.000 0.536 98 L N -2.428 118.687 121.223 -0.180 0.000 2.547 98 L HA 0.280 4.658 4.340 0.063 0.000 0.218 98 L C 2.342 179.190 176.870 -0.037 0.000 1.048 98 L CA -0.205 54.543 54.840 -0.152 0.000 0.859 98 L CB -0.173 41.687 42.059 -0.332 0.000 1.128 98 L HN 0.308 nan 8.230 nan 0.000 0.483 99 W N 1.866 123.042 121.300 -0.206 0.000 2.354 99 W HA -0.152 4.546 4.660 0.065 0.000 0.315 99 W C 2.219 178.748 176.519 0.016 0.000 1.206 99 W CA 1.686 58.983 57.345 -0.080 0.000 1.290 99 W CB -0.162 29.279 29.460 -0.033 0.000 1.152 99 W HN -0.076 nan 8.180 nan 0.000 0.489 100 I N 1.866 122.498 120.570 0.104 0.000 2.118 100 I HA -0.307 3.901 4.170 0.063 0.000 0.241 100 I C -0.283 175.789 176.117 -0.075 0.000 1.070 100 I CA 1.879 63.126 61.300 -0.089 0.000 1.327 100 I CB -2.142 35.824 38.000 -0.057 0.000 1.034 100 I HN -0.021 nan 8.210 nan 0.000 0.405 101 P HA -0.164 nan 4.420 nan 0.000 0.220 101 P C 1.855 179.126 177.300 -0.048 0.000 1.148 101 P CA 1.291 64.403 63.100 0.021 0.000 0.803 101 P CB 0.019 31.728 31.700 0.014 0.000 0.782 102 L N 0.036 121.220 121.223 -0.065 0.000 2.044 102 L HA -0.063 4.314 4.340 0.063 0.000 0.205 102 L C 2.492 179.321 176.870 -0.069 0.000 1.075 102 L CA 1.579 56.397 54.840 -0.038 0.000 0.747 102 L CB -1.229 40.831 42.059 0.001 0.000 0.903 102 L HN -0.255 nan 8.230 nan 0.000 0.435 103 V N -1.049 118.735 119.914 -0.217 0.000 2.295 103 V HA -0.266 3.892 4.120 0.063 0.000 0.246 103 V C 2.500 178.580 176.094 -0.023 0.000 1.049 103 V CA 1.681 63.872 62.300 -0.182 0.000 1.024 103 V CB -0.529 30.964 31.823 -0.550 0.000 0.648 103 V HN 0.335 nan 8.190 nan 0.000 0.447 104 V N 0.349 120.213 119.914 -0.082 0.000 2.407 104 V HA -0.248 3.909 4.120 0.063 0.000 0.248 104 V C 2.693 178.515 176.094 -0.454 0.000 1.055 104 V CA 1.924 64.058 62.300 -0.276 0.000 1.049 104 V CB -1.122 30.686 31.823 -0.025 0.000 0.662 104 V HN 0.563 nan 8.190 nan 0.000 0.455 105 A N -0.075 122.630 122.820 -0.192 0.000 1.933 105 A HA -0.170 4.188 4.320 0.063 0.000 0.218 105 A C 2.161 179.753 177.584 0.014 0.000 1.175 105 A CA 1.741 53.724 52.037 -0.090 0.000 0.628 105 A CB -0.568 18.412 19.000 -0.033 0.000 0.814 105 A HN 0.523 nan 8.150 nan 0.000 0.444 106 I N -1.123 119.475 120.570 0.046 0.000 2.335 106 I HA -0.311 3.897 4.170 0.063 0.000 0.251 106 I C 2.376 178.607 176.117 0.191 0.000 1.129 106 I CA 1.949 63.339 61.300 0.149 0.000 1.402 106 I CB -0.308 37.799 38.000 0.178 0.000 1.069 106 I HN 0.763 nan 8.210 nan 0.000 0.424 107 Y N -2.686 117.705 120.300 0.152 0.000 2.535 107 Y HA 0.086 4.674 4.550 0.063 0.000 0.266 107 Y C 2.244 178.217 175.900 0.123 0.000 1.088 107 Y CA -0.273 57.906 58.100 0.131 0.000 1.285 107 Y CB -1.082 37.458 38.460 0.132 0.000 1.166 107 Y HN -0.021 nan 8.280 nan 0.000 0.525 108 Y N 1.455 121.554 120.300 -0.335 0.000 2.181 108 Y HA -0.160 4.427 4.550 0.062 0.000 0.288 108 Y C 2.253 178.111 175.900 -0.070 0.000 1.146 108 Y CA 2.194 60.169 58.100 -0.208 0.000 1.164 108 Y CB -0.205 38.071 38.460 -0.307 0.000 0.982 108 Y HN 0.028 nan 8.280 nan 0.000 0.515 109 V N -0.545 119.499 119.914 0.217 0.000 2.515 109 V HA -0.288 3.870 4.120 0.063 0.000 0.250 109 V C 1.911 178.194 176.094 0.316 0.000 1.058 109 V CA 1.941 64.393 62.300 0.252 0.000 1.064 109 V CB -1.040 30.959 31.823 0.293 0.000 0.675 109 V HN 0.508 nan 8.190 nan 0.000 0.461 110 Y N 0.788 121.143 120.300 0.091 0.000 2.163 110 Y HA -0.131 4.457 4.550 0.063 0.000 0.288 110 Y C 2.242 177.766 175.900 -0.625 0.000 1.136 110 Y CA 1.226 59.251 58.100 -0.124 0.000 1.147 110 Y CB -0.351 37.913 38.460 -0.326 0.000 0.987 110 Y HN 0.190 nan 8.280 nan 0.000 0.509 111 I N 0.238 120.212 120.570 -0.994 0.000 2.361 111 I HA -0.286 3.921 4.170 0.063 0.000 0.251 111 I C 2.486 178.107 176.117 -0.826 0.000 1.133 111 I CA 1.847 62.143 61.300 -1.673 0.000 1.413 111 I CB -0.467 36.882 38.000 -1.084 0.000 1.073 111 I HN 0.318 nan 8.210 nan 0.000 0.424 112 E N 1.249 121.204 120.200 -0.409 0.000 2.072 112 E HA -0.238 4.150 4.350 0.063 0.000 0.191 112 E C 2.278 178.959 176.600 0.133 0.000 0.985 112 E CA 1.722 58.068 56.400 -0.090 0.000 0.801 112 E CB 0.038 29.732 29.700 -0.010 0.000 0.750 112 E HN 0.523 nan 8.360 nan 0.000 0.452 113 S N -0.278 115.506 115.700 0.139 0.000 2.419 113 S HA -0.150 4.358 4.470 0.063 0.000 0.233 113 S C 1.620 176.409 174.600 0.315 0.000 1.016 113 S CA 0.788 59.157 58.200 0.282 0.000 0.974 113 S CB -0.651 62.830 63.200 0.468 0.000 0.786 113 S HN 0.406 nan 8.310 nan 0.000 0.492 114 W N 2.957 124.232 121.300 -0.041 0.000 2.355 114 W HA -0.008 4.687 4.660 0.059 0.000 0.309 114 W C 3.100 179.548 176.519 -0.118 0.000 1.206 114 W CA 1.412 58.649 57.345 -0.179 0.000 1.284 114 W CB -1.811 27.287 29.460 -0.603 0.000 1.145 114 W HN 0.608 nan 8.180 nan 0.000 0.502 115 T N -1.097 113.607 114.554 0.251 0.000 2.833 115 T HA -0.192 4.195 4.350 0.063 0.000 0.269 115 T C 1.910 176.706 174.700 0.160 0.000 1.054 115 T CA 1.437 63.657 62.100 0.201 0.000 1.135 115 T CB -0.726 68.255 68.868 0.187 0.000 0.869 115 T HN -0.002 nan 8.240 nan 0.000 0.466 116 L N 1.971 123.236 121.223 0.071 0.000 2.072 116 L HA 0.345 4.723 4.340 0.063 0.000 0.205 116 L C 2.706 179.628 176.870 0.086 0.000 1.079 116 L CA 1.960 56.682 54.840 -0.197 0.000 0.752 116 L CB -1.281 40.445 42.059 -0.554 0.000 0.906 116 L HN 0.353 nan 8.230 nan 0.000 0.436 117 G N -0.966 107.953 108.800 0.198 0.000 2.459 117 G HA2 -0.305 3.692 3.960 0.063 0.000 0.217 117 G HA3 -0.305 3.692 3.960 0.063 0.000 0.217 117 G C 1.450 176.653 174.900 0.504 0.000 1.183 117 G CA 0.973 46.297 45.100 0.373 0.000 0.776 117 G HN 0.375 nan 8.290 nan 0.000 0.552 118 F N 1.900 121.845 119.950 -0.009 0.000 2.134 118 F HA 0.041 4.603 4.527 0.059 0.000 0.299 118 F C 3.046 179.003 175.800 0.261 0.000 1.097 118 F CA 0.663 58.645 58.000 -0.029 0.000 1.264 118 F CB -0.677 37.759 39.000 -0.939 0.000 1.001 118 F HN 0.251 nan 8.300 nan 0.000 0.479 119 A N 0.391 123.477 122.820 0.443 0.000 1.883 119 A HA -0.191 4.166 4.320 0.063 0.000 0.217 119 A C 2.324 180.298 177.584 0.649 0.000 1.186 119 A CA 1.933 54.332 52.037 0.603 0.000 0.624 119 A CB -1.136 18.134 19.000 0.450 0.000 0.822 119 A HN 0.374 nan 8.150 nan 0.000 0.444 120 I N -0.536 120.323 120.570 0.481 0.000 2.142 120 I HA -0.294 3.914 4.170 0.063 0.000 0.240 120 I C 2.476 178.780 176.117 0.312 0.000 1.078 120 I CA 1.827 63.361 61.300 0.390 0.000 1.343 120 I CB -0.351 37.916 38.000 0.445 0.000 1.046 120 I HN 0.310 nan 8.210 nan 0.000 0.405 121 K N 0.193 120.799 120.400 0.344 0.000 2.097 121 K HA -0.147 4.211 4.320 0.063 0.000 0.206 121 K C 2.037 178.706 176.600 0.114 0.000 1.049 121 K CA 1.463 57.847 56.287 0.162 0.000 0.933 121 K CB -0.228 32.381 32.500 0.182 0.000 0.717 121 K HN 0.137 nan 8.250 nan 0.000 0.442 122 F N 0.766 120.824 119.950 0.180 0.000 2.259 122 F HA -0.100 4.461 4.527 0.057 0.000 0.298 122 F C 2.049 177.942 175.800 0.155 0.000 1.088 122 F CA 0.534 58.661 58.000 0.211 0.000 1.358 122 F CB -0.215 39.035 39.000 0.417 0.000 1.040 122 F HN -0.042 nan 8.300 nan 0.000 0.505 123 L N -0.438 120.922 121.223 0.229 0.000 2.056 123 L HA -0.089 4.289 4.340 0.063 0.000 0.207 123 L C 1.948 178.781 176.870 -0.061 0.000 1.078 123 L CA 1.601 56.345 54.840 -0.161 0.000 0.749 123 L CB -0.700 41.056 42.059 -0.505 0.000 0.901 123 L HN -0.061 nan 8.230 nan 0.000 0.433 124 V N 0.344 120.248 119.914 -0.018 0.000 3.217 124 V HA 0.212 4.369 4.120 0.063 0.000 0.264 124 V C 1.747 177.812 176.094 -0.048 0.000 1.135 124 V CA 0.874 63.154 62.300 -0.034 0.000 1.142 124 V CB -1.038 30.767 31.823 -0.031 0.000 0.754 124 V HN 0.747 nan 8.190 nan 0.000 0.484 125 G N 0.617 109.384 108.800 -0.056 0.000 2.136 125 G HA2 -0.249 3.749 3.960 0.063 0.000 0.242 125 G HA3 -0.249 3.749 3.960 0.063 0.000 0.242 125 G C 0.222 175.019 174.900 -0.172 0.000 0.989 125 G CA 0.128 45.166 45.100 -0.104 0.000 0.682 125 G HN 0.484 nan 8.290 nan 0.000 0.522 126 L N 1.160 122.272 121.223 -0.185 0.000 2.583 126 L HA 0.438 4.816 4.340 0.063 0.000 0.239 126 L C 1.016 177.707 176.870 -0.300 0.000 1.347 126 L CA -0.469 54.258 54.840 -0.188 0.000 1.246 126 L CB -0.100 41.873 42.059 -0.143 0.000 1.496 126 L HN 0.311 nan 8.230 nan 0.000 0.413 127 V N -2.067 117.562 119.914 -0.476 0.000 3.103 127 V HA 0.725 4.883 4.120 0.063 0.000 0.318 127 V C -2.224 173.508 176.094 -0.604 0.000 1.114 127 V CA -2.004 59.789 62.300 -0.846 0.000 1.020 127 V CB 1.373 32.498 31.823 -1.165 0.000 1.085 127 V HN 0.132 nan 8.190 nan 0.000 0.446 128 P HA 0.321 nan 4.420 nan 0.000 0.272 128 P C -0.914 176.140 177.300 -0.410 0.000 1.240 128 P CA -0.133 62.636 63.100 -0.552 0.000 0.791 128 P CB 0.641 31.894 31.700 -0.745 0.000 0.978 129 E N 1.382 121.438 120.200 -0.241 0.000 2.207 129 E HA 0.356 4.743 4.350 0.063 0.000 0.250 129 E C -2.250 174.309 176.600 -0.069 0.000 0.890 129 E CA -1.694 54.632 56.400 -0.124 0.000 0.749 129 E CB 0.759 30.406 29.700 -0.089 0.000 1.193 129 E HN 0.370 nan 8.360 nan 0.000 0.423 130 P HA 0.147 nan 4.420 nan 0.000 0.275 130 P C -2.433 174.890 177.300 0.037 0.000 1.227 130 P CA -1.266 61.863 63.100 0.049 0.000 0.781 130 P CB 0.063 31.852 31.700 0.148 0.000 0.906 131 P HA 0.190 nan 4.420 nan 0.000 0.271 131 P C -2.358 174.963 177.300 0.036 0.000 1.233 131 P CA -0.812 62.304 63.100 0.027 0.000 0.764 131 P CB -0.221 31.493 31.700 0.024 0.000 0.825 136 D N 1.163 121.602 120.400 0.065 0.000 6.886 136 D HA -0.065 4.613 4.640 0.063 0.000 0.236 136 D C -2.183 174.176 176.300 0.098 0.000 1.961 136 D CA -0.218 53.825 54.000 0.070 0.000 1.809 136 D CB 0.242 41.074 40.800 0.053 0.000 0.666 136 D HN 0.290 nan 8.370 nan 0.000 0.371 137 P HA -0.136 nan 4.420 nan 0.000 0.216 137 P C 0.993 178.373 177.300 0.133 0.000 1.150 137 P CA 0.973 64.192 63.100 0.198 0.000 0.837 137 P CB 0.350 32.206 31.700 0.261 0.000 0.786 138 D N -0.354 120.093 120.400 0.079 0.000 2.224 138 D HA -0.041 4.637 4.640 0.063 0.000 0.205 138 D C 1.932 178.267 176.300 0.057 0.000 0.965 138 D CA 0.932 54.961 54.000 0.048 0.000 0.852 138 D CB -0.126 40.690 40.800 0.026 0.000 0.947 138 D HN 0.151 nan 8.370 nan 0.000 0.494 139 S N 0.181 115.920 115.700 0.065 0.000 2.481 139 S HA 0.033 4.541 4.470 0.063 0.000 0.231 139 S C 2.049 176.703 174.600 0.090 0.000 0.996 139 S CA 0.229 58.466 58.200 0.062 0.000 0.942 139 S CB 0.294 63.525 63.200 0.052 0.000 0.768 139 S HN 0.282 nan 8.310 nan 0.000 0.520 140 I N 0.369 121.010 120.570 0.118 0.000 2.556 140 I HA 0.026 4.234 4.170 0.063 0.000 0.251 140 I C 1.814 178.076 176.117 0.241 0.000 1.105 140 I CA 0.721 62.120 61.300 0.165 0.000 1.436 140 I CB -0.155 37.922 38.000 0.129 0.000 1.139 140 I HN 0.186 nan 8.210 nan 0.000 0.438 141 L N 0.426 121.751 121.223 0.171 0.000 2.109 141 L HA -0.087 4.291 4.340 0.063 0.000 0.207 141 L C 2.744 179.714 176.870 0.167 0.000 1.086 141 L CA 0.977 55.913 54.840 0.160 0.000 0.760 141 L CB -0.492 41.593 42.059 0.043 0.000 0.910 141 L HN 0.182 nan 8.230 nan 0.000 0.437 142 R N 0.493 121.048 120.500 0.092 0.000 2.096 142 R HA -0.188 4.190 4.340 0.063 0.000 0.240 142 R C -0.392 175.931 176.300 0.037 0.000 1.139 142 R CA 1.911 58.031 56.100 0.033 0.000 0.952 142 R CB -1.128 29.178 30.300 0.010 0.000 0.854 142 R HN 0.214 nan 8.270 nan 0.000 0.436 143 P HA -0.141 nan 4.420 nan 0.000 0.216 143 P C 0.606 177.843 177.300 -0.106 0.000 1.150 143 P CA 1.439 64.498 63.100 -0.068 0.000 0.837 143 P CB -0.057 31.553 31.700 -0.150 0.000 0.786 144 F N -0.350 119.641 119.950 0.068 0.000 2.293 144 F HA 0.015 4.578 4.527 0.060 0.000 0.297 144 F C 2.364 178.278 175.800 0.189 0.000 1.089 144 F CA 1.006 59.101 58.000 0.158 0.000 1.377 144 F CB -0.461 38.634 39.000 0.159 0.000 1.051 144 F HN -0.182 nan 8.300 nan 0.000 0.511 145 K N 0.936 121.447 120.400 0.185 0.000 2.057 145 K HA -0.168 4.190 4.320 0.063 0.000 0.206 145 K C 1.734 178.219 176.600 -0.192 0.000 1.050 145 K CA 1.647 57.885 56.287 -0.083 0.000 0.935 145 K CB -0.121 32.213 32.500 -0.277 0.000 0.715 145 K HN 0.249 nan 8.250 nan 0.000 0.439 146 E N -0.231 119.921 120.200 -0.080 0.000 2.110 146 E HA -0.190 4.198 4.350 0.063 0.000 0.193 146 E C 1.797 178.451 176.600 0.089 0.000 0.988 146 E CA 1.059 57.448 56.400 -0.019 0.000 0.804 146 E CB -0.188 29.506 29.700 -0.010 0.000 0.745 146 E HN 0.297 nan 8.360 nan 0.000 0.458 147 F N 1.431 121.366 119.950 -0.024 0.000 2.095 147 F HA -0.211 4.352 4.527 0.060 0.000 0.298 147 F C 2.094 177.946 175.800 0.088 0.000 1.104 147 F CA 1.119 59.099 58.000 -0.034 0.000 1.232 147 F CB -0.180 38.752 39.000 -0.113 0.000 0.987 147 F HN 0.004 nan 8.300 nan 0.000 0.475 148 L N -0.572 120.837 121.223 0.310 0.000 2.027 148 L HA -0.199 4.178 4.340 0.063 0.000 0.206 148 L C 2.124 179.118 176.870 0.207 0.000 1.074 148 L CA 1.821 56.857 54.840 0.327 0.000 0.745 148 L CB -1.415 40.909 42.059 0.442 0.000 0.898 148 L HN 0.144 nan 8.230 nan 0.000 0.433 149 Y N -0.218 120.075 120.300 -0.013 0.000 2.256 149 Y HA -0.153 4.434 4.550 0.062 0.000 0.288 149 Y C 2.816 178.665 175.900 -0.086 0.000 1.155 149 Y CA 1.166 59.234 58.100 -0.053 0.000 1.203 149 Y CB -1.140 37.314 38.460 -0.011 0.000 0.980 149 Y HN 0.261 nan 8.280 nan 0.000 0.530 150 S N -1.541 114.198 115.700 0.065 0.000 2.446 150 S HA -0.123 4.384 4.470 0.063 0.000 0.225 150 S C 1.761 176.305 174.600 -0.093 0.000 1.016 150 S CA 0.402 58.581 58.200 -0.034 0.000 0.943 150 S CB -0.433 62.726 63.200 -0.067 0.000 0.786 150 S HN 0.532 nan 8.310 nan 0.000 0.508 151 Y N 2.980 123.118 120.300 -0.269 0.000 2.109 151 Y HA -0.040 4.547 4.550 0.062 0.000 0.285 151 Y C 1.972 177.698 175.900 -0.290 0.000 1.131 151 Y CA 1.710 59.635 58.100 -0.291 0.000 1.121 151 Y CB -0.203 38.056 38.460 -0.335 0.000 0.987 151 Y HN 0.295 nan 8.280 nan 0.000 0.495 152 I N -2.625 117.809 120.570 -0.226 0.000 3.251 152 I HA 0.322 4.530 4.170 0.063 0.000 0.277 152 I C 1.311 177.278 176.117 -0.249 0.000 1.268 152 I CA 0.809 61.889 61.300 -0.366 0.000 1.449 152 I CB -0.533 37.067 38.000 -0.666 0.000 1.083 152 I HN 0.319 nan 8.210 nan 0.000 0.464 153 G N 2.416 111.100 108.800 -0.193 0.000 2.291 153 G HA2 -0.182 3.816 3.960 0.063 0.000 0.271 153 G HA3 -0.182 3.816 3.960 0.063 0.000 0.271 153 G C -0.013 174.795 174.900 -0.153 0.000 1.099 153 G CA 0.084 45.098 45.100 -0.143 0.000 0.919 153 G HN 0.277 nan 8.290 nan 0.000 0.496 154 V N 0.733 120.518 119.914 -0.216 0.000 2.763 154 V HA 0.209 4.366 4.120 0.063 0.000 0.306 154 V C -0.752 175.249 176.094 -0.155 0.000 1.059 154 V CA -0.542 61.586 62.300 -0.287 0.000 1.138 154 V CB 0.718 32.139 31.823 -0.669 0.000 0.940 154 V HN 0.363 nan 8.190 nan 0.000 0.489 155 P HA 0.148 nan 4.420 nan 0.000 0.267 155 P C 0.180 177.456 177.300 -0.039 0.000 1.200 155 P CA 0.051 63.108 63.100 -0.073 0.000 0.772 155 P CB 0.538 32.188 31.700 -0.083 0.000 0.855 156 K N 0.843 121.235 120.400 -0.014 0.000 2.387 156 K HA 0.186 4.543 4.320 0.063 0.000 0.197 156 K C 1.353 177.956 176.600 0.005 0.000 1.127 156 K CA 0.209 56.502 56.287 0.009 0.000 0.950 156 K CB 0.273 32.782 32.500 0.016 0.000 1.017 156 K HN 0.529 nan 8.250 nan 0.000 0.519 157 G N 1.680 110.479 108.800 -0.002 0.000 2.714 157 G HA2 -0.044 3.954 3.960 0.063 0.000 0.197 157 G HA3 -0.044 3.954 3.960 0.063 0.000 0.197 157 G C 0.185 175.082 174.900 -0.005 0.000 1.449 157 G CA 0.066 45.167 45.100 0.002 0.000 1.065 157 G HN 0.197 nan 8.290 nan 0.000 0.575 158 D N -0.636 119.766 120.400 0.004 0.000 2.350 158 D HA 0.034 4.712 4.640 0.063 0.000 0.213 158 D C 0.402 176.697 176.300 -0.008 0.000 1.031 158 D CA 0.136 54.138 54.000 0.004 0.000 0.861 158 D CB 0.069 40.886 40.800 0.029 0.000 0.926 158 D HN 0.472 nan 8.370 nan 0.000 0.520 159 E N 1.712 121.907 120.200 -0.008 0.000 2.301 159 E HA 0.222 4.609 4.350 0.063 0.000 0.275 159 E C -1.954 174.601 176.600 -0.074 0.000 1.030 159 E CA -1.823 54.570 56.400 -0.013 0.000 0.852 159 E CB 1.190 30.900 29.700 0.017 0.000 1.060 159 E HN 0.068 nan 8.360 nan 0.000 0.401 160 P HA 0.202 nan 4.420 nan 0.000 0.220 160 P C -0.834 176.408 177.300 -0.097 0.000 1.793 160 P CA 0.115 63.108 63.100 -0.178 0.000 0.917 160 P CB -0.015 31.492 31.700 -0.322 0.000 1.755 161 I N 1.237 121.776 120.570 -0.052 0.000 2.433 161 I HA 0.350 4.558 4.170 0.063 0.000 0.292 161 I C 0.519 176.629 176.117 -0.011 0.000 1.001 161 I CA -1.297 59.999 61.300 -0.007 0.000 1.119 161 I CB 2.082 40.096 38.000 0.022 0.000 1.289 161 I HN -0.050 nan 8.210 nan 0.000 0.438 162 L N 5.456 126.683 121.223 0.006 0.000 2.325 162 L HA 0.486 4.864 4.340 0.063 0.000 0.279 162 L C 0.315 177.187 176.870 0.003 0.000 1.054 162 L CA -0.578 54.236 54.840 -0.043 0.000 0.804 162 L CB 1.241 43.237 42.059 -0.105 0.000 1.200 162 L HN 0.514 nan 8.230 nan 0.000 0.436 163 K N 3.855 124.229 120.400 -0.043 0.000 2.624 163 K HA 0.390 4.748 4.320 0.063 0.000 0.200 163 K C -2.575 173.969 176.600 -0.095 0.000 1.036 163 K CA -1.568 54.715 56.287 -0.007 0.000 1.029 163 K CB 1.081 33.591 32.500 0.017 0.000 1.317 163 K HN 0.183 nan 8.250 nan 0.000 0.555 164 P HA -0.047 nan 4.420 nan 0.000 0.269 164 P C -0.447 176.758 177.300 -0.158 0.000 1.209 164 P CA -0.098 62.868 63.100 -0.224 0.000 0.776 164 P CB 0.940 32.465 31.700 -0.291 0.000 0.876 165 S N 2.404 117.978 115.700 -0.210 0.000 2.584 165 S HA 0.028 4.536 4.470 0.063 0.000 0.270 165 S C 1.128 175.693 174.600 -0.058 0.000 1.346 165 S CA -0.486 57.637 58.200 -0.129 0.000 1.018 165 S CB 0.075 63.185 63.200 -0.151 0.000 0.899 165 S HN 0.373 nan 8.310 nan 0.000 0.542 166 L N 1.108 122.342 121.223 0.019 0.000 2.083 166 L HA 0.051 4.429 4.340 0.063 0.000 0.209 166 L C 1.984 178.941 176.870 0.144 0.000 1.083 166 L CA 1.725 56.617 54.840 0.087 0.000 0.752 166 L CB -1.189 40.919 42.059 0.082 0.000 0.899 166 L HN 0.829 nan 8.230 nan 0.000 0.433 167 F N 0.463 120.394 119.950 -0.032 0.000 2.102 167 F HA -0.185 4.376 4.527 0.056 0.000 0.298 167 F C 2.320 178.094 175.800 -0.043 0.000 1.105 167 F CA 1.491 59.484 58.000 -0.012 0.000 1.239 167 F CB -0.838 38.152 39.000 -0.017 0.000 0.991 167 F HN 0.155 nan 8.300 nan 0.000 0.474 168 A N -0.686 121.902 122.820 -0.386 0.000 1.908 168 A HA -0.273 4.085 4.320 0.063 0.000 0.218 168 A C 2.177 179.700 177.584 -0.102 0.000 1.181 168 A CA 1.830 53.502 52.037 -0.609 0.000 0.627 168 A CB -1.700 16.703 19.000 -0.995 0.000 0.818 168 A HN 0.603 nan 8.150 nan 0.000 0.445 169 Y N 0.291 120.527 120.300 -0.108 0.000 2.163 169 Y HA -0.138 4.451 4.550 0.064 0.000 0.288 169 Y C 2.064 178.039 175.900 0.125 0.000 1.136 169 Y CA 1.777 59.906 58.100 0.047 0.000 1.147 169 Y CB -0.206 38.282 38.460 0.046 0.000 0.987 169 Y HN 0.263 nan 8.280 nan 0.000 0.509 170 I N -1.146 119.505 120.570 0.136 0.000 2.286 170 I HA -0.290 3.918 4.170 0.063 0.000 0.248 170 I C 2.110 178.195 176.117 -0.053 0.000 1.115 170 I CA 1.065 62.396 61.300 0.052 0.000 1.392 170 I CB -0.451 37.597 38.000 0.080 0.000 1.065 170 I HN 0.073 nan 8.210 nan 0.000 0.418 171 V N 0.491 120.317 119.914 -0.148 0.000 2.515 171 V HA -0.279 3.878 4.120 0.063 0.000 0.250 171 V C 2.242 178.364 176.094 0.048 0.000 1.058 171 V CA 1.653 63.875 62.300 -0.129 0.000 1.064 171 V CB -0.697 30.971 31.823 -0.258 0.000 0.675 171 V HN 0.369 nan 8.190 nan 0.000 0.461 172 F N 0.370 120.305 119.950 -0.025 0.000 2.171 172 F HA -0.128 4.437 4.527 0.063 0.000 0.300 172 F C 1.975 177.787 175.800 0.020 0.000 1.090 172 F CA 1.450 59.477 58.000 0.046 0.000 1.293 172 F CB -0.266 38.745 39.000 0.020 0.000 1.013 172 F HN 0.036 nan 8.300 nan 0.000 0.486 173 L N -0.224 120.900 121.223 -0.164 0.000 2.017 173 L HA -0.243 4.135 4.340 0.063 0.000 0.208 173 L C 2.493 179.266 176.870 -0.163 0.000 1.073 173 L CA 1.473 56.167 54.840 -0.245 0.000 0.745 173 L CB -0.640 41.320 42.059 -0.164 0.000 0.894 173 L HN 0.131 nan 8.230 nan 0.000 0.432 174 I N -0.749 119.778 120.570 -0.073 0.000 2.226 174 I HA -0.292 3.915 4.170 0.063 0.000 0.245 174 I C 2.469 178.635 176.117 0.081 0.000 1.100 174 I CA 1.543 62.858 61.300 0.025 0.000 1.374 174 I CB -0.613 37.399 38.000 0.019 0.000 1.057 174 I HN 0.276 nan 8.210 nan 0.000 0.413 175 T N 0.802 115.368 114.554 0.020 0.000 2.720 175 T HA -0.170 4.218 4.350 0.063 0.000 0.268 175 T C 1.957 176.636 174.700 -0.035 0.000 1.037 175 T CA 1.270 63.419 62.100 0.081 0.000 1.144 175 T CB -0.123 68.816 68.868 0.118 0.000 0.864 175 T HN 0.163 nan 8.240 nan 0.000 0.444 176 M N 0.366 119.840 119.600 -0.209 0.000 2.117 176 M HA 0.047 4.564 4.480 0.063 0.000 0.262 176 M C 2.103 178.342 176.300 -0.103 0.000 1.065 176 M CA 1.228 56.398 55.300 -0.217 0.000 1.114 176 M CB -1.206 31.183 32.600 -0.352 0.000 1.361 176 M HN 0.282 nan 8.290 nan 0.000 0.408 177 F N 1.204 121.046 119.950 -0.180 0.000 2.134 177 F HA -0.152 4.409 4.527 0.056 0.000 0.299 177 F C 2.087 177.829 175.800 -0.097 0.000 1.097 177 F CA 1.375 59.295 58.000 -0.133 0.000 1.264 177 F CB -0.310 38.621 39.000 -0.115 0.000 1.001 177 F HN 0.009 nan 8.300 nan 0.000 0.479 178 I N 0.280 120.786 120.570 -0.108 0.000 2.252 178 I HA -0.312 3.896 4.170 0.063 0.000 0.245 178 I C 2.234 178.171 176.117 -0.300 0.000 1.102 178 I CA 1.221 62.408 61.300 -0.188 0.000 1.385 178 I CB -0.680 37.360 38.000 0.067 0.000 1.064 178 I HN 0.214 nan 8.210 nan 0.000 0.414 179 N N 0.612 119.178 118.700 -0.223 0.000 2.120 179 N HA -0.134 4.644 4.740 0.063 0.000 0.188 179 N C 1.985 177.346 175.510 -0.249 0.000 1.024 179 N CA 1.310 54.221 53.050 -0.232 0.000 0.852 179 N CB -0.021 38.380 38.487 -0.144 0.000 1.003 179 N HN 0.163 nan 8.380 nan 0.000 0.424 180 V N 1.685 121.443 119.914 -0.260 0.000 2.358 180 V HA -0.210 3.948 4.120 0.063 0.000 0.246 180 V C 2.597 178.498 176.094 -0.321 0.000 1.047 180 V CA 1.963 64.112 62.300 -0.252 0.000 1.035 180 V CB -0.738 30.947 31.823 -0.230 0.000 0.658 180 V HN 0.430 nan 8.190 nan 0.000 0.452 181 S N 0.039 115.447 115.700 -0.486 0.000 2.400 181 S HA -0.175 4.333 4.470 0.063 0.000 0.232 181 S C 1.883 176.297 174.600 -0.311 0.000 1.025 181 S CA 1.847 59.774 58.200 -0.456 0.000 0.993 181 S CB -0.602 62.236 63.200 -0.603 0.000 0.808 181 S HN 0.570 nan 8.310 nan 0.000 0.478 182 I N 0.937 121.309 120.570 -0.330 0.000 2.296 182 I HA -0.005 4.203 4.170 0.063 0.000 0.242 182 I C 2.396 178.385 176.117 -0.213 0.000 1.087 182 I CA 0.815 61.938 61.300 -0.295 0.000 1.393 182 I CB -0.340 37.396 38.000 -0.439 0.000 1.093 182 I HN 0.235 nan 8.210 nan 0.000 0.421 183 L N 0.466 121.569 121.223 -0.200 0.000 2.131 183 L HA -0.197 4.181 4.340 0.063 0.000 0.210 183 L C 2.505 179.290 176.870 -0.143 0.000 1.092 183 L CA 1.298 56.048 54.840 -0.149 0.000 0.759 183 L CB -0.322 41.669 42.059 -0.112 0.000 0.903 183 L HN 0.283 nan 8.230 nan 0.000 0.435 184 I N -0.292 120.188 120.570 -0.150 0.000 2.614 184 I HA -0.222 3.985 4.170 0.063 0.000 0.258 184 I C 2.337 178.375 176.117 -0.131 0.000 1.189 184 I CA 0.943 62.165 61.300 -0.131 0.000 1.462 184 I CB -0.028 37.892 38.000 -0.133 0.000 1.092 184 I HN 0.213 nan 8.210 nan 0.000 0.442 185 R N 0.846 121.262 120.500 -0.141 0.000 2.299 185 R HA 0.188 4.566 4.340 0.063 0.000 0.197 185 R C 0.938 177.146 176.300 -0.153 0.000 0.971 185 R CA 0.536 56.559 56.100 -0.129 0.000 1.030 185 R CB 0.030 30.263 30.300 -0.112 0.000 0.932 185 R HN 0.515 nan 8.270 nan 0.000 0.477 186 G N 0.677 109.367 108.800 -0.184 0.000 2.582 186 G HA2 -0.228 3.770 3.960 0.063 0.000 0.222 186 G HA3 -0.228 3.770 3.960 0.063 0.000 0.222 186 G C 0.372 175.071 174.900 -0.335 0.000 1.311 186 G CA -0.564 44.383 45.100 -0.256 0.000 0.915 186 G HN -0.060 nan 8.290 nan 0.000 0.528 187 I N 1.232 121.492 120.570 -0.517 0.000 2.130 187 I HA -0.090 4.117 4.170 0.063 0.000 0.234 187 I C 3.278 179.095 176.117 -0.501 0.000 1.067 187 I CA 2.911 63.757 61.300 -0.757 0.000 1.339 187 I CB -1.759 35.453 38.000 -1.312 0.000 1.073 187 I HN 0.922 nan 8.210 nan 0.000 0.405 188 S N 1.023 116.487 115.700 -0.393 0.000 2.371 188 S HA -0.122 4.386 4.470 0.063 0.000 0.224 188 S C 1.810 176.361 174.600 -0.082 0.000 1.029 188 S CA 0.799 58.901 58.200 -0.164 0.000 0.978 188 S CB -0.440 62.685 63.200 -0.125 0.000 0.833 188 S HN 0.394 nan 8.310 nan 0.000 0.466 189 K N 1.042 121.376 120.400 -0.110 0.000 2.444 189 K HA 0.239 4.597 4.320 0.063 0.000 0.193 189 K C 1.634 178.197 176.600 -0.060 0.000 1.024 189 K CA 0.485 56.732 56.287 -0.067 0.000 1.077 189 K CB 0.170 32.627 32.500 -0.072 0.000 0.833 189 K HN 0.541 nan 8.250 nan 0.000 0.517 190 G N 0.860 109.607 108.800 -0.088 0.000 2.478 190 G HA2 0.028 4.026 3.960 0.063 0.000 0.211 190 G HA3 0.028 4.026 3.960 0.063 0.000 0.211 190 G C 1.235 176.123 174.900 -0.020 0.000 1.726 190 G CA -0.308 44.744 45.100 -0.080 0.000 0.725 190 G HN -0.019 nan 8.290 nan 0.000 0.654 191 I N 0.996 121.538 120.570 -0.046 0.000 2.208 191 I HA -0.157 4.050 4.170 0.063 0.000 0.245 191 I C 2.651 178.866 176.117 0.163 0.000 1.097 191 I CA 1.656 62.991 61.300 0.058 0.000 1.363 191 I CB -0.132 37.874 38.000 0.010 0.000 1.051 191 I HN 0.347 nan 8.210 nan 0.000 0.413 192 E N 1.106 121.409 120.200 0.172 0.000 2.046 192 E HA -0.191 4.197 4.350 0.063 0.000 0.190 192 E C 2.433 179.099 176.600 0.111 0.000 0.982 192 E CA 0.844 57.368 56.400 0.206 0.000 0.800 192 E CB 0.087 29.951 29.700 0.274 0.000 0.756 192 E HN 0.329 nan 8.360 nan 0.000 0.449 193 R N -0.372 120.179 120.500 0.086 0.000 2.083 193 R HA -0.178 4.200 4.340 0.063 0.000 0.237 193 R C 2.341 178.691 176.300 0.083 0.000 1.137 193 R CA 1.636 57.779 56.100 0.071 0.000 0.951 193 R CB -0.469 29.869 30.300 0.062 0.000 0.851 193 R HN 0.238 nan 8.270 nan 0.000 0.434 194 F N 1.187 121.113 119.950 -0.041 0.000 2.134 194 F HA -0.123 4.436 4.527 0.053 0.000 0.299 194 F C 2.273 178.023 175.800 -0.084 0.000 1.097 194 F CA 1.244 59.195 58.000 -0.083 0.000 1.264 194 F CB -0.408 38.512 39.000 -0.132 0.000 1.001 194 F HN -0.011 nan 8.300 nan 0.000 0.479 195 A N 0.175 122.966 122.820 -0.047 0.000 1.940 195 A HA -0.226 4.132 4.320 0.063 0.000 0.219 195 A C 2.213 179.710 177.584 -0.144 0.000 1.176 195 A CA 1.810 53.778 52.037 -0.115 0.000 0.631 195 A CB -0.702 18.299 19.000 0.001 0.000 0.814 195 A HN 0.456 nan 8.150 nan 0.000 0.446 196 K N -0.835 119.513 120.400 -0.087 0.000 2.362 196 K HA 0.063 4.421 4.320 0.063 0.000 0.200 196 K C 1.381 177.934 176.600 -0.078 0.000 1.046 196 K CA 1.032 57.284 56.287 -0.059 0.000 0.952 196 K CB -0.157 32.333 32.500 -0.016 0.000 0.753 196 K HN 0.602 nan 8.250 nan 0.000 0.466 197 I N -0.434 120.037 120.570 -0.166 0.000 2.947 197 I HA -0.036 4.172 4.170 0.063 0.000 0.263 197 I C 2.317 178.332 176.117 -0.171 0.000 1.130 197 I CA 0.319 61.536 61.300 -0.139 0.000 1.448 197 I CB -0.126 37.787 38.000 -0.145 0.000 1.222 197 I HN -0.014 nan 8.210 nan 0.000 0.453 198 A N 1.363 123.879 122.820 -0.506 0.000 1.873 198 A HA -0.172 4.185 4.320 0.063 0.000 0.215 198 A C 2.321 179.872 177.584 -0.056 0.000 1.186 198 A CA 1.435 53.203 52.037 -0.448 0.000 0.616 198 A CB -0.412 17.890 19.000 -1.162 0.000 0.823 198 A HN 0.225 nan 8.150 nan 0.000 0.442 199 M N -0.546 119.002 119.600 -0.087 0.000 2.080 199 M HA -0.082 4.435 4.480 0.063 0.000 0.260 199 M C -0.278 176.084 176.300 0.105 0.000 1.068 199 M CA 1.610 56.925 55.300 0.024 0.000 1.109 199 M CB -2.655 29.941 32.600 -0.008 0.000 1.342 199 M HN 0.139 nan 8.290 nan 0.000 0.405 200 P HA -0.077 nan 4.420 nan 0.000 0.216 200 P C 1.583 179.002 177.300 0.198 0.000 1.153 200 P CA 1.477 64.662 63.100 0.142 0.000 0.848 200 P CB -0.235 31.516 31.700 0.085 0.000 0.787 201 T N 0.078 114.734 114.554 0.169 0.000 2.684 201 T HA -0.164 4.223 4.350 0.063 0.000 0.267 201 T C 1.739 176.533 174.700 0.156 0.000 1.036 201 T CA 1.036 63.239 62.100 0.171 0.000 1.148 201 T CB -1.052 67.970 68.868 0.256 0.000 0.863 201 T HN 0.057 nan 8.240 nan 0.000 0.436 202 L N 0.045 121.387 121.223 0.198 0.000 2.012 202 L HA -0.110 4.268 4.340 0.063 0.000 0.210 202 L C 2.271 179.242 176.870 0.168 0.000 1.073 202 L CA 1.663 56.594 54.840 0.152 0.000 0.748 202 L CB -0.376 41.791 42.059 0.179 0.000 0.891 202 L HN 0.225 nan 8.230 nan 0.000 0.431 203 F N 0.642 120.643 119.950 0.086 0.000 2.075 203 F HA -0.256 4.307 4.527 0.060 0.000 0.297 203 F C 2.131 177.981 175.800 0.084 0.000 1.113 203 F CA 1.919 59.974 58.000 0.093 0.000 1.218 203 F CB -0.339 38.706 39.000 0.075 0.000 0.984 203 F HN 0.006 nan 8.300 nan 0.000 0.472 204 I N -0.001 120.554 120.570 -0.026 0.000 2.163 204 I HA -0.342 3.865 4.170 0.063 0.000 0.243 204 I C 2.462 178.525 176.117 -0.088 0.000 1.085 204 I CA 1.397 62.624 61.300 -0.121 0.000 1.347 204 I CB -0.650 37.357 38.000 0.012 0.000 1.044 204 I HN 0.196 nan 8.210 nan 0.000 0.408 205 L N 0.472 121.672 121.223 -0.038 0.000 2.017 205 L HA -0.226 4.152 4.340 0.063 0.000 0.208 205 L C 2.877 179.748 176.870 0.002 0.000 1.073 205 L CA 1.452 56.281 54.840 -0.017 0.000 0.745 205 L CB -0.749 41.277 42.059 -0.054 0.000 0.894 205 L HN 0.263 nan 8.230 nan 0.000 0.432 206 A N -0.397 122.396 122.820 -0.045 0.000 1.902 206 A HA -0.150 4.207 4.320 0.063 0.000 0.217 206 A C 2.322 179.880 177.584 -0.043 0.000 1.181 206 A CA 1.812 53.849 52.037 -0.000 0.000 0.623 206 A CB -0.825 18.253 19.000 0.130 0.000 0.818 206 A HN 0.197 nan 8.150 nan 0.000 0.443 207 V N -1.227 118.576 119.914 -0.184 0.000 2.295 207 V HA -0.233 3.925 4.120 0.063 0.000 0.246 207 V C 2.282 178.312 176.094 -0.107 0.000 1.049 207 V CA 2.100 64.270 62.300 -0.215 0.000 1.024 207 V CB -0.971 30.600 31.823 -0.419 0.000 0.648 207 V HN 0.623 nan 8.190 nan 0.000 0.447 208 F N 0.399 120.245 119.950 -0.172 0.000 2.126 208 F HA -0.199 4.375 4.527 0.079 0.000 0.299 208 F C 2.040 177.761 175.800 -0.130 0.000 1.096 208 F CA 1.683 59.607 58.000 -0.126 0.000 1.255 208 F CB -0.284 38.656 39.000 -0.101 0.000 0.997 208 F HN 0.027 nan 8.300 nan 0.000 0.479 209 L N -0.884 120.261 121.223 -0.129 0.000 2.093 209 L HA -0.211 4.167 4.340 0.063 0.000 0.208 209 L C 2.366 179.069 176.870 -0.277 0.000 1.085 209 L CA 0.918 55.636 54.840 -0.204 0.000 0.755 209 L CB -0.769 41.289 42.059 -0.002 0.000 0.904 209 L HN 0.007 nan 8.230 nan 0.000 0.435 210 V N 0.190 119.946 119.914 -0.264 0.000 2.343 210 V HA -0.303 3.855 4.120 0.063 0.000 0.247 210 V C 2.313 178.043 176.094 -0.608 0.000 1.051 210 V CA 1.841 63.876 62.300 -0.442 0.000 1.036 210 V CB -0.323 31.281 31.823 -0.366 0.000 0.654 210 V HN 0.316 nan 8.190 nan 0.000 0.451 211 I N -0.607 119.718 120.570 -0.409 0.000 2.179 211 I HA -0.214 3.993 4.170 0.063 0.000 0.242 211 I C 2.786 178.721 176.117 -0.303 0.000 1.088 211 I CA 1.319 62.442 61.300 -0.294 0.000 1.357 211 I CB -0.446 37.416 38.000 -0.230 0.000 1.051 211 I HN 0.218 nan 8.210 nan 0.000 0.409 212 R N 0.425 120.650 120.500 -0.457 0.000 2.096 212 R HA -0.075 4.303 4.340 0.063 0.000 0.235 212 R C 2.280 178.449 176.300 -0.219 0.000 1.127 212 R CA 0.996 56.854 56.100 -0.402 0.000 0.968 212 R CB -1.049 28.892 30.300 -0.598 0.000 0.861 212 R HN 0.273 nan 8.270 nan 0.000 0.440 213 V N 0.827 120.608 119.914 -0.220 0.000 2.343 213 V HA -0.204 3.954 4.120 0.063 0.000 0.247 213 V C 2.118 178.246 176.094 0.057 0.000 1.051 213 V CA 1.437 63.689 62.300 -0.080 0.000 1.036 213 V CB -0.582 31.156 31.823 -0.140 0.000 0.654 213 V HN 0.044 nan 8.190 nan 0.000 0.451 214 F N -0.059 119.869 119.950 -0.035 0.000 2.216 214 F HA -0.062 4.504 4.527 0.066 0.000 0.300 214 F C 2.003 177.783 175.800 -0.034 0.000 1.085 214 F CA 0.643 58.627 58.000 -0.026 0.000 1.326 214 F CB -1.007 37.977 39.000 -0.027 0.000 1.027 214 F HN 0.114 nan 8.300 nan 0.000 0.497 215 L N -0.136 121.165 121.223 0.131 0.000 2.633 215 L HA -0.085 4.292 4.340 0.063 0.000 0.235 215 L C 0.482 177.375 176.870 0.038 0.000 1.163 215 L CA 0.205 55.076 54.840 0.051 0.000 0.859 215 L CB -0.722 41.335 42.059 -0.002 0.000 0.973 215 L HN -0.044 nan 8.230 nan 0.000 0.451 216 L N 0.939 122.202 121.223 0.067 0.000 2.313 216 L HA 0.191 4.569 4.340 0.063 0.000 0.282 216 L C -0.444 176.404 176.870 -0.037 0.000 1.092 216 L CA 0.096 54.963 54.840 0.045 0.000 0.831 216 L CB 0.730 42.865 42.059 0.126 0.000 1.159 216 L HN 0.069 nan 8.230 nan 0.000 0.442 217 E N 1.623 121.751 120.200 -0.120 0.000 2.274 217 E HA 0.447 4.835 4.350 0.063 0.000 0.269 217 E C -0.688 175.748 176.600 -0.274 0.000 0.891 217 E CA -0.492 55.812 56.400 -0.160 0.000 0.784 217 E CB 2.239 31.879 29.700 -0.100 0.000 1.225 217 E HN 0.588 nan 8.360 nan 0.000 0.412 218 T N -1.281 113.061 114.554 -0.354 0.000 2.838 218 T HA 0.514 4.901 4.350 0.063 0.000 0.292 218 T C -2.098 172.439 174.700 -0.272 0.000 1.113 218 T CA -2.113 59.727 62.100 -0.432 0.000 1.008 218 T CB 1.368 69.732 68.868 -0.841 0.000 1.259 218 T HN 0.010 nan 8.240 nan 0.000 0.520 219 P HA 0.043 nan 4.420 nan 0.000 0.223 219 P C 0.982 178.205 177.300 -0.129 0.000 1.144 219 P CA 0.680 63.696 63.100 -0.141 0.000 0.783 219 P CB 0.034 31.669 31.700 -0.109 0.000 0.771 220 N N -1.201 117.397 118.700 -0.170 0.000 2.392 220 N HA 0.131 4.909 4.740 0.063 0.000 0.177 220 N C 1.130 176.571 175.510 -0.116 0.000 1.066 220 N CA 1.028 54.003 53.050 -0.125 0.000 0.895 220 N CB 0.693 39.106 38.487 -0.123 0.000 0.988 220 N HN 0.162 nan 8.380 nan 0.000 0.457 221 G N -0.423 108.288 108.800 -0.149 0.000 2.343 221 G HA2 0.197 4.195 3.960 0.063 0.000 0.289 221 G HA3 0.197 4.195 3.960 0.063 0.000 0.289 221 G C -1.249 173.578 174.900 -0.121 0.000 1.295 221 G CA -0.261 44.774 45.100 -0.110 0.000 0.869 221 G HN 0.155 nan 8.290 nan 0.000 0.522 222 T N -2.940 111.571 114.554 -0.072 0.000 2.888 222 T HA 0.742 5.130 4.350 0.063 0.000 0.288 222 T C 1.485 176.186 174.700 0.001 0.000 1.063 222 T CA 0.651 62.720 62.100 -0.051 0.000 1.010 222 T CB 1.572 70.408 68.868 -0.053 0.000 1.214 222 T HN 2.004 nan 8.240 nan 0.000 0.533 223 A N 0.270 123.122 122.820 0.054 0.000 2.067 223 A HA 0.310 4.668 4.320 0.063 0.000 0.219 223 A C 2.465 180.103 177.584 0.090 0.000 1.158 223 A CA 1.648 53.780 52.037 0.157 0.000 0.661 223 A CB -1.433 17.806 19.000 0.398 0.000 0.801 223 A HN 1.268 nan 8.150 nan 0.000 0.452 224 A N 0.178 122.976 122.820 -0.037 0.000 1.933 224 A HA -0.166 4.191 4.320 0.063 0.000 0.218 224 A C 1.697 179.288 177.584 0.011 0.000 1.175 224 A CA 1.656 53.644 52.037 -0.082 0.000 0.628 224 A CB -0.446 18.482 19.000 -0.120 0.000 0.814 224 A HN 0.473 nan 8.150 nan 0.000 0.444 225 D N -0.243 120.171 120.400 0.022 0.000 2.218 225 D HA -0.089 4.589 4.640 0.063 0.000 0.204 225 D C 1.987 178.349 176.300 0.104 0.000 0.976 225 D CA 1.355 55.383 54.000 0.045 0.000 0.853 225 D CB -0.455 40.352 40.800 0.012 0.000 0.939 225 D HN 0.475 nan 8.370 nan 0.000 0.481 226 G N 0.802 109.674 108.800 0.120 0.000 2.394 226 G HA2 -0.138 3.860 3.960 0.063 0.000 0.215 226 G HA3 -0.138 3.860 3.960 0.063 0.000 0.215 226 G C 1.817 176.866 174.900 0.248 0.000 1.165 226 G CA 0.031 45.241 45.100 0.182 0.000 0.784 226 G HN 0.225 nan 8.290 nan 0.000 0.535 227 L N 0.336 121.701 121.223 0.237 0.000 2.093 227 L HA -0.074 4.304 4.340 0.063 0.000 0.208 227 L C 2.638 179.694 176.870 0.310 0.000 1.085 227 L CA 1.167 56.202 54.840 0.325 0.000 0.755 227 L CB -0.503 41.708 42.059 0.254 0.000 0.904 227 L HN 0.269 nan 8.230 nan 0.000 0.435 228 N N -0.385 118.436 118.700 0.201 0.000 2.188 228 N HA -0.214 4.564 4.740 0.063 0.000 0.184 228 N C 1.743 177.346 175.510 0.154 0.000 1.018 228 N CA 0.978 54.126 53.050 0.163 0.000 0.858 228 N CB -0.159 38.394 38.487 0.109 0.000 0.989 228 N HN 0.188 nan 8.380 nan 0.000 0.426 229 F N 1.577 121.539 119.950 0.019 0.000 2.146 229 F HA -0.026 4.539 4.527 0.062 0.000 0.298 229 F C 1.873 177.615 175.800 -0.096 0.000 1.096 229 F CA 0.805 58.783 58.000 -0.036 0.000 1.275 229 F CB -0.381 38.592 39.000 -0.046 0.000 1.008 229 F HN -0.044 nan 8.300 nan 0.000 0.480 230 L N -1.102 119.925 121.223 -0.327 0.000 2.217 230 L HA -0.035 4.343 4.340 0.063 0.000 0.211 230 L C 0.612 177.037 176.870 -0.741 0.000 1.107 230 L CA 1.559 55.999 54.840 -0.666 0.000 0.783 230 L CB -0.692 41.049 42.059 -0.530 0.000 0.919 230 L HN 0.253 nan 8.230 nan 0.000 0.442 231 W N -0.731 120.502 121.300 -0.111 0.000 2.862 231 W HA 0.373 5.070 4.660 0.061 0.000 0.426 231 W C 0.074 176.541 176.519 -0.087 0.000 0.950 231 W CA -0.443 56.856 57.345 -0.077 0.000 2.150 231 W CB 0.236 29.682 29.460 -0.023 0.000 1.161 231 W HN -0.224 nan 8.180 nan 0.000 0.696 232 T N 1.664 116.215 114.554 -0.004 0.000 2.809 232 T HA 0.276 4.664 4.350 0.063 0.000 0.296 232 T C -2.374 172.235 174.700 -0.152 0.000 1.015 232 T CA -1.548 60.531 62.100 -0.035 0.000 0.954 232 T CB 1.315 70.172 68.868 -0.019 0.000 0.950 232 T HN -0.429 nan 8.240 nan 0.000 0.450 233 P HA 0.110 nan 4.420 nan 0.000 0.266 233 P C -0.440 176.555 177.300 -0.508 0.000 1.193 233 P CA 0.047 62.869 63.100 -0.463 0.000 0.770 233 P CB 0.462 31.773 31.700 -0.648 0.000 0.836 234 D N 2.406 122.470 120.400 -0.559 0.000 2.429 234 D HA 0.119 4.797 4.640 0.063 0.000 0.255 234 D C 0.017 176.156 176.300 -0.269 0.000 1.257 234 D CA -0.305 53.501 54.000 -0.323 0.000 0.890 234 D CB 0.111 40.804 40.800 -0.178 0.000 1.267 234 D HN 0.060 nan 8.370 nan 0.000 0.521 235 F N 0.918 120.880 119.950 0.019 0.000 2.722 235 F HA 0.044 4.609 4.527 0.063 0.000 0.298 235 F C 2.241 178.068 175.800 0.045 0.000 1.175 235 F CA 0.455 58.477 58.000 0.036 0.000 1.462 235 F CB -0.079 38.948 39.000 0.044 0.000 1.111 235 F HN 0.365 nan 8.300 nan 0.000 0.592 236 E N 0.296 120.590 120.200 0.156 0.000 2.502 236 E HA -0.076 4.311 4.350 0.063 0.000 0.194 236 E C 1.389 178.046 176.600 0.094 0.000 1.062 236 E CA 0.380 56.852 56.400 0.119 0.000 0.867 236 E CB 0.163 29.913 29.700 0.085 0.000 0.888 236 E HN 0.099 nan 8.360 nan 0.000 0.510 237 K N -0.054 120.392 120.400 0.076 0.000 2.374 237 K HA 0.161 4.518 4.320 0.063 0.000 0.202 237 K C 1.491 178.149 176.600 0.097 0.000 1.040 237 K CA -0.086 56.238 56.287 0.062 0.000 1.085 237 K CB 0.510 33.013 32.500 0.005 0.000 0.873 237 K HN 0.206 nan 8.250 nan 0.000 0.539 238 L N 0.413 121.732 121.223 0.160 0.000 2.362 238 L HA -0.110 4.268 4.340 0.063 0.000 0.219 238 L C 1.141 178.285 176.870 0.457 0.000 1.134 238 L CA 1.060 56.076 54.840 0.293 0.000 0.807 238 L CB -0.167 42.098 42.059 0.344 0.000 0.927 238 L HN -0.086 nan 8.230 nan 0.000 0.447 239 K N -0.775 119.794 120.400 0.281 0.000 2.404 239 K HA 0.055 4.413 4.320 0.063 0.000 0.194 239 K C 0.204 176.933 176.600 0.215 0.000 1.023 239 K CA 0.102 56.526 56.287 0.228 0.000 1.094 239 K CB -0.093 32.496 32.500 0.147 0.000 0.841 239 K HN 0.011 nan 8.250 nan 0.000 0.523 240 D N 0.495 121.039 120.400 0.239 0.000 2.347 240 D HA 0.100 4.778 4.640 0.063 0.000 0.235 240 D C -1.953 174.511 176.300 0.273 0.000 1.149 240 D CA -2.178 51.938 54.000 0.194 0.000 0.850 240 D CB 1.633 42.506 40.800 0.122 0.000 1.061 240 D HN -0.128 nan 8.370 nan 0.000 0.487 241 P HA -0.047 nan 4.420 nan 0.000 0.218 241 P C 1.307 178.635 177.300 0.046 0.000 1.148 241 P CA 0.775 63.986 63.100 0.184 0.000 0.822 241 P CB 0.291 32.089 31.700 0.164 0.000 0.784 242 G N -0.304 108.483 108.800 -0.021 0.000 2.422 242 G HA2 -0.221 3.776 3.960 0.063 0.000 0.218 242 G HA3 -0.221 3.776 3.960 0.063 0.000 0.218 242 G C 1.568 176.383 174.900 -0.143 0.000 1.146 242 G CA 0.677 45.634 45.100 -0.238 0.000 0.769 242 G HN 0.160 nan 8.290 nan 0.000 0.547 243 V N -0.591 119.303 119.914 -0.034 0.000 2.358 243 V HA -0.138 4.020 4.120 0.063 0.000 0.246 243 V C 2.403 178.431 176.094 -0.109 0.000 1.047 243 V CA 1.557 63.823 62.300 -0.056 0.000 1.035 243 V CB -0.643 31.111 31.823 -0.114 0.000 0.658 243 V HN 0.560 nan 8.190 nan 0.000 0.452 244 W N -0.185 121.081 121.300 -0.057 0.000 2.388 244 W HA -0.050 4.648 4.660 0.063 0.000 0.294 244 W C 2.332 178.785 176.519 -0.110 0.000 1.212 244 W CA 0.959 58.274 57.345 -0.051 0.000 1.271 244 W CB -0.331 29.099 29.460 -0.051 0.000 1.126 244 W HN 0.149 nan 8.180 nan 0.000 0.535 245 I N -0.206 120.333 120.570 -0.051 0.000 2.315 245 I HA -0.268 3.939 4.170 0.063 0.000 0.248 245 I C 2.520 178.508 176.117 -0.215 0.000 1.117 245 I CA 1.249 62.346 61.300 -0.339 0.000 1.404 245 I CB -0.871 36.618 38.000 -0.852 0.000 1.071 245 I HN -0.041 nan 8.210 nan 0.000 0.419 246 A N 0.840 123.602 122.820 -0.096 0.000 1.873 246 A HA -0.108 4.250 4.320 0.063 0.000 0.215 246 A C 2.566 180.330 177.584 0.301 0.000 1.186 246 A CA 1.685 53.781 52.037 0.098 0.000 0.616 246 A CB -0.795 18.299 19.000 0.156 0.000 0.823 246 A HN 0.399 nan 8.150 nan 0.000 0.442 247 A N -0.479 122.445 122.820 0.173 0.000 1.877 247 A HA -0.036 4.322 4.320 0.063 0.000 0.216 247 A C 2.223 179.924 177.584 0.195 0.000 1.186 247 A CA 1.949 53.980 52.037 -0.010 0.000 0.620 247 A CB -1.004 17.780 19.000 -0.359 0.000 0.822 247 A HN 0.430 nan 8.150 nan 0.000 0.443 248 V N -0.092 119.974 119.914 0.254 0.000 2.427 248 V HA -0.141 4.017 4.120 0.063 0.000 0.248 248 V C 2.788 179.188 176.094 0.509 0.000 1.051 248 V CA 1.797 64.336 62.300 0.399 0.000 1.048 248 V CB -1.461 30.630 31.823 0.447 0.000 0.666 248 V HN 0.616 nan 8.190 nan 0.000 0.456 249 G N -0.659 108.381 108.800 0.399 0.000 2.418 249 G HA2 -0.338 3.660 3.960 0.063 0.000 0.217 249 G HA3 -0.338 3.660 3.960 0.063 0.000 0.217 249 G C 1.533 176.739 174.900 0.511 0.000 1.158 249 G CA 1.068 46.433 45.100 0.443 0.000 0.771 249 G HN 0.500 nan 8.290 nan 0.000 0.545 250 Q N 0.213 120.302 119.800 0.481 0.000 2.079 250 Q HA -0.023 4.354 4.340 0.063 0.000 0.200 250 Q C 2.432 178.761 176.000 0.549 0.000 0.974 250 Q CA 0.893 57.028 55.803 0.552 0.000 0.840 250 Q CB -0.330 28.830 28.738 0.703 0.000 0.898 250 Q HN 0.369 nan 8.270 nan 0.000 0.430 251 I N 0.012 120.831 120.570 0.415 0.000 2.163 251 I HA -0.243 3.965 4.170 0.063 0.000 0.243 251 I C 1.940 178.215 176.117 0.264 0.000 1.085 251 I CA 1.355 62.787 61.300 0.220 0.000 1.347 251 I CB -1.164 36.860 38.000 0.041 0.000 1.044 251 I HN 0.210 nan 8.210 nan 0.000 0.408 252 F N 0.258 120.389 119.950 0.302 0.000 2.069 252 F HA -0.281 4.284 4.527 0.062 0.000 0.298 252 F C 2.538 178.616 175.800 0.464 0.000 1.113 252 F CA 1.866 60.060 58.000 0.324 0.000 1.214 252 F CB -0.840 38.335 39.000 0.293 0.000 0.978 252 F HN -0.064 nan 8.300 nan 0.000 0.474 253 F N 0.124 120.439 119.950 0.607 0.000 2.075 253 F HA -0.254 4.310 4.527 0.062 0.000 0.297 253 F C 2.761 178.733 175.800 0.287 0.000 1.113 253 F CA 2.155 60.488 58.000 0.554 0.000 1.218 253 F CB -0.880 38.400 39.000 0.467 0.000 0.984 253 F HN -0.104 nan 8.300 nan 0.000 0.472 254 T N -0.003 114.837 114.554 0.476 0.000 2.867 254 T HA -0.104 4.284 4.350 0.063 0.000 0.268 254 T C 1.745 176.506 174.700 0.102 0.000 1.057 254 T CA 1.393 63.659 62.100 0.277 0.000 1.136 254 T CB -0.352 68.698 68.868 0.302 0.000 0.874 254 T HN 0.248 nan 8.240 nan 0.000 0.466 255 L N 0.677 121.973 121.223 0.121 0.000 2.592 255 L HA 0.269 4.647 4.340 0.063 0.000 0.227 255 L C 0.996 177.881 176.870 0.025 0.000 1.127 255 L CA -0.015 54.862 54.840 0.062 0.000 0.884 255 L CB -0.029 42.068 42.059 0.063 0.000 1.065 255 L HN 0.148 nan 8.230 nan 0.000 0.457 256 S N 0.484 116.171 115.700 -0.022 0.000 3.635 256 S HA -0.156 4.352 4.470 0.063 0.000 0.328 256 S C 0.272 175.057 174.600 0.309 0.000 1.135 256 S CA 0.395 58.534 58.200 -0.102 0.000 0.942 256 S CB -1.820 61.206 63.200 -0.290 0.000 0.930 256 S HN 0.297 nan 8.310 nan 0.000 0.512 257 L N 0.483 121.957 121.223 0.418 0.000 2.326 257 L HA 0.573 4.951 4.340 0.063 0.000 0.278 257 L C 1.494 178.700 176.870 0.560 0.000 1.092 257 L CA 0.411 55.475 54.840 0.373 0.000 0.810 257 L CB 0.864 42.965 42.059 0.070 0.000 1.153 257 L HN 0.453 nan 8.230 nan 0.000 0.439 258 G N 2.056 111.122 108.800 0.443 0.000 2.159 258 G HA2 -0.312 3.686 3.960 0.063 0.000 0.256 258 G HA3 -0.312 3.686 3.960 0.063 0.000 0.256 258 G C 0.310 175.300 174.900 0.150 0.000 0.977 258 G CA 0.166 45.509 45.100 0.404 0.000 0.652 258 G HN 0.580 nan 8.290 nan 0.000 0.531 259 F N 0.290 120.361 119.950 0.201 0.000 2.721 259 F HA 0.412 4.978 4.527 0.065 0.000 0.301 259 F C 2.163 177.970 175.800 0.013 0.000 1.096 259 F CA 0.820 58.842 58.000 0.035 0.000 1.308 259 F CB 0.706 39.658 39.000 -0.079 0.000 1.086 259 F HN 0.664 nan 8.300 nan 0.000 0.587 260 G N 0.556 109.525 108.800 0.281 0.000 2.189 260 G HA2 -0.365 3.633 3.960 0.063 0.000 0.267 260 G HA3 -0.365 3.633 3.960 0.063 0.000 0.267 260 G C 1.274 176.227 174.900 0.088 0.000 0.975 260 G CA 0.528 45.746 45.100 0.198 0.000 0.644 260 G HN 0.533 nan 8.290 nan 0.000 0.537 261 A N 0.103 122.950 122.820 0.046 0.000 1.898 261 A HA 0.375 4.733 4.320 0.063 0.000 0.214 261 A C 2.327 179.791 177.584 -0.199 0.000 1.183 261 A CA 1.715 53.674 52.037 -0.130 0.000 0.622 261 A CB -0.234 18.605 19.000 -0.268 0.000 0.824 261 A HN 0.466 nan 8.150 nan 0.000 0.444 262 I N 0.372 120.857 120.570 -0.141 0.000 2.286 262 I HA -0.213 3.995 4.170 0.063 0.000 0.248 262 I C 2.391 178.415 176.117 -0.156 0.000 1.115 262 I CA 1.222 62.403 61.300 -0.198 0.000 1.392 262 I CB -1.121 36.809 38.000 -0.117 0.000 1.065 262 I HN 0.310 nan 8.210 nan 0.000 0.418 263 I N 0.575 121.121 120.570 -0.040 0.000 2.179 263 I HA -0.298 3.910 4.170 0.063 0.000 0.242 263 I C 2.486 178.602 176.117 -0.002 0.000 1.088 263 I CA 1.612 62.905 61.300 -0.011 0.000 1.357 263 I CB -0.685 37.344 38.000 0.049 0.000 1.051 263 I HN 0.199 nan 8.210 nan 0.000 0.409 264 T N -0.133 114.447 114.554 0.044 0.000 2.746 264 T HA -0.197 4.190 4.350 0.063 0.000 0.267 264 T C 1.843 176.670 174.700 0.212 0.000 1.039 264 T CA 1.383 63.533 62.100 0.082 0.000 1.142 264 T CB -0.357 68.609 68.868 0.162 0.000 0.866 264 T HN 0.177 nan 8.240 nan 0.000 0.444 265 Y N 1.458 121.813 120.300 0.091 0.000 2.181 265 Y HA 0.097 4.684 4.550 0.061 0.000 0.288 265 Y C 2.678 178.732 175.900 0.257 0.000 1.146 265 Y CA 0.048 58.334 58.100 0.311 0.000 1.164 265 Y CB -1.033 37.493 38.460 0.109 0.000 0.982 265 Y HN 0.210 nan 8.280 nan 0.000 0.515 266 A N -0.725 122.128 122.820 0.054 0.000 2.121 266 A HA -0.112 4.245 4.320 0.063 0.000 0.218 266 A C 2.331 179.950 177.584 0.058 0.000 1.154 266 A CA 1.440 53.448 52.037 -0.050 0.000 0.679 266 A CB -0.912 17.974 19.000 -0.191 0.000 0.795 266 A HN 0.449 nan 8.150 nan 0.000 0.458 267 S N -1.590 114.059 115.700 -0.086 0.000 2.515 267 S HA -0.077 4.430 4.470 0.063 0.000 0.231 267 S C 1.148 175.542 174.600 -0.344 0.000 0.987 267 S CA 0.763 58.815 58.200 -0.248 0.000 0.936 267 S CB -0.652 62.295 63.200 -0.421 0.000 0.766 267 S HN 0.567 nan 8.310 nan 0.000 0.528 268 Y N 1.177 121.531 120.300 0.090 0.000 2.468 268 Y HA 0.472 5.061 4.550 0.064 0.000 0.268 268 Y C 0.525 176.596 175.900 0.285 0.000 1.177 268 Y CA -0.909 57.167 58.100 -0.040 0.000 1.265 268 Y CB -0.020 38.113 38.460 -0.545 0.000 1.103 268 Y HN 0.087 nan 8.280 nan 0.000 0.522 269 V N 2.184 122.377 119.914 0.465 0.000 2.498 269 V HA 0.195 4.353 4.120 0.063 0.000 0.279 269 V C 0.532 176.796 176.094 0.284 0.000 1.048 269 V CA -1.182 61.386 62.300 0.447 0.000 0.967 269 V CB 0.809 32.858 31.823 0.376 0.000 0.988 269 V HN 0.213 nan 8.190 nan 0.000 0.473 270 R N 3.577 124.163 120.500 0.145 0.000 2.640 270 R HA 0.025 4.402 4.340 0.063 0.000 0.270 270 R C 1.624 177.949 176.300 0.042 0.000 1.024 270 R CA -0.101 55.967 56.100 -0.053 0.000 1.085 270 R CB 0.513 30.711 30.300 -0.171 0.000 0.963 270 R HN 0.839 nan 8.270 nan 0.000 0.426 271 K N 1.541 121.956 120.400 0.026 0.000 2.127 271 K HA -0.255 4.103 4.320 0.063 0.000 0.208 271 K C 0.395 177.030 176.600 0.059 0.000 1.047 271 K CA 2.034 58.355 56.287 0.056 0.000 0.927 271 K CB -0.021 32.502 32.500 0.038 0.000 0.716 271 K HN 0.469 nan 8.250 nan 0.000 0.450 272 D N 0.966 121.385 120.400 0.032 0.000 2.234 272 D HA -0.044 4.634 4.640 0.063 0.000 0.205 272 D C 0.459 176.783 176.300 0.039 0.000 0.962 272 D CA 0.525 54.543 54.000 0.030 0.000 0.855 272 D CB -0.113 40.694 40.800 0.012 0.000 0.951 272 D HN 0.333 nan 8.370 nan 0.000 0.500 273 Q N 1.126 120.959 119.800 0.056 0.000 2.354 273 Q HA -0.035 4.343 4.340 0.063 0.000 0.310 273 Q C -0.083 175.963 176.000 0.076 0.000 1.104 273 Q CA 0.388 56.236 55.803 0.075 0.000 0.968 273 Q CB 0.471 29.282 28.738 0.122 0.000 1.251 273 Q HN 0.177 nan 8.270 nan 0.000 0.411 274 D N 1.518 121.946 120.400 0.046 0.000 2.389 274 D HA 0.094 4.771 4.640 0.063 0.000 0.247 274 D C 0.645 176.955 176.300 0.016 0.000 1.128 274 D CA -0.011 53.991 54.000 0.002 0.000 0.884 274 D CB 0.489 41.270 40.800 -0.033 0.000 1.194 274 D HN 0.549 nan 8.370 nan 0.000 0.441 275 I N 0.489 121.041 120.570 -0.030 0.000 4.403 275 I HA 0.108 4.315 4.170 0.063 0.000 0.331 275 I C 0.779 176.718 176.117 -0.297 0.000 1.327 275 I CA -0.465 60.784 61.300 -0.086 0.000 1.175 275 I CB 0.264 38.403 38.000 0.230 0.000 1.165 275 I HN 0.269 nan 8.210 nan 0.000 0.413 276 V N 1.621 121.393 119.914 -0.237 0.000 2.255 276 V HA -0.194 3.963 4.120 0.063 0.000 0.243 276 V C 2.450 178.525 176.094 -0.031 0.000 1.038 276 V CA 1.963 64.093 62.300 -0.284 0.000 1.008 276 V CB -0.491 31.061 31.823 -0.453 0.000 0.645 276 V HN 0.442 nan 8.190 nan 0.000 0.449 277 L N 0.028 121.187 121.223 -0.106 0.000 2.109 277 L HA -0.048 4.329 4.340 0.063 0.000 0.207 277 L C 2.477 179.260 176.870 -0.144 0.000 1.086 277 L CA 1.884 56.684 54.840 -0.066 0.000 0.760 277 L CB -0.599 41.425 42.059 -0.059 0.000 0.910 277 L HN 0.260 nan 8.230 nan 0.000 0.437 278 S N -0.168 115.379 115.700 -0.255 0.000 2.356 278 S HA -0.112 4.396 4.470 0.063 0.000 0.223 278 S C 1.898 176.094 174.600 -0.674 0.000 1.032 278 S CA 1.165 59.150 58.200 -0.359 0.000 1.005 278 S CB -1.017 61.993 63.200 -0.316 0.000 0.867 278 S HN 0.676 nan 8.310 nan 0.000 0.449 279 G N 1.472 109.563 108.800 -1.182 0.000 2.418 279 G HA2 -0.155 3.842 3.960 0.063 0.000 0.217 279 G HA3 -0.155 3.842 3.960 0.063 0.000 0.217 279 G C 1.389 175.977 174.900 -0.520 0.000 1.158 279 G CA 0.826 45.132 45.100 -1.324 0.000 0.771 279 G HN 0.422 nan 8.290 nan 0.000 0.545 280 L N 0.903 121.952 121.223 -0.290 0.000 2.141 280 L HA 0.072 4.450 4.340 0.063 0.000 0.209 280 L C 2.789 179.594 176.870 -0.108 0.000 1.094 280 L CA 2.289 57.007 54.840 -0.203 0.000 0.763 280 L CB -0.752 41.322 42.059 0.026 0.000 0.908 280 L HN 0.150 nan 8.230 nan 0.000 0.437 281 T N -0.278 114.219 114.554 -0.096 0.000 2.777 281 T HA -0.070 4.317 4.350 0.063 0.000 0.266 281 T C 1.921 176.608 174.700 -0.021 0.000 1.040 281 T CA 1.182 63.254 62.100 -0.047 0.000 1.141 281 T CB -0.433 68.406 68.868 -0.047 0.000 0.868 281 T HN 0.498 nan 8.240 nan 0.000 0.444 282 A N 1.510 124.328 122.820 -0.004 0.000 1.902 282 A HA 0.172 4.529 4.320 0.063 0.000 0.217 282 A C 2.631 180.246 177.584 0.052 0.000 1.181 282 A CA 1.790 53.870 52.037 0.071 0.000 0.623 282 A CB -1.081 18.059 19.000 0.233 0.000 0.818 282 A HN 0.496 nan 8.150 nan 0.000 0.443 283 A N -1.051 121.784 122.820 0.026 0.000 1.898 283 A HA -0.065 4.292 4.320 0.063 0.000 0.216 283 A C 2.299 179.937 177.584 0.091 0.000 1.181 283 A CA 2.252 54.328 52.037 0.066 0.000 0.620 283 A CB -1.175 17.825 19.000 0.000 0.000 0.819 283 A HN 0.428 nan 8.150 nan 0.000 0.442 284 T N 0.392 114.984 114.554 0.064 0.000 2.777 284 T HA -0.030 4.357 4.350 0.063 0.000 0.266 284 T C 1.806 176.496 174.700 -0.017 0.000 1.040 284 T CA 1.281 63.403 62.100 0.038 0.000 1.141 284 T CB -0.345 68.548 68.868 0.042 0.000 0.868 284 T HN 0.344 nan 8.240 nan 0.000 0.444 285 L N 1.235 122.453 121.223 -0.008 0.000 2.083 285 L HA -0.141 4.237 4.340 0.063 0.000 0.209 285 L C 2.591 179.452 176.870 -0.015 0.000 1.083 285 L CA 1.308 56.140 54.840 -0.014 0.000 0.752 285 L CB -0.547 41.507 42.059 -0.010 0.000 0.899 285 L HN 0.303 nan 8.230 nan 0.000 0.433 286 N N -0.290 118.400 118.700 -0.016 0.000 2.142 286 N HA -0.208 4.569 4.740 0.063 0.000 0.186 286 N C 1.815 177.268 175.510 -0.095 0.000 1.023 286 N CA 1.162 54.193 53.050 -0.032 0.000 0.852 286 N CB 0.115 38.597 38.487 -0.007 0.000 0.998 286 N HN 0.136 nan 8.380 nan 0.000 0.424 287 E N 0.706 120.816 120.200 -0.150 0.000 2.077 287 E HA -0.154 4.234 4.350 0.063 0.000 0.193 287 E C 1.804 178.303 176.600 -0.169 0.000 0.989 287 E CA 0.968 57.221 56.400 -0.246 0.000 0.800 287 E CB -0.178 29.225 29.700 -0.495 0.000 0.746 287 E HN 0.521 nan 8.360 nan 0.000 0.452 288 K N 0.590 120.930 120.400 -0.100 0.000 2.026 288 K HA -0.041 4.317 4.320 0.063 0.000 0.208 288 K C 2.152 178.736 176.600 -0.027 0.000 1.048 288 K CA 1.205 57.468 56.287 -0.040 0.000 0.929 288 K CB -0.158 32.343 32.500 0.001 0.000 0.713 288 K HN 0.049 nan 8.250 nan 0.000 0.439 289 A N 1.216 124.018 122.820 -0.031 0.000 2.019 289 A HA -0.213 4.145 4.320 0.063 0.000 0.219 289 A C 2.007 179.441 177.584 -0.250 0.000 1.164 289 A CA 1.656 53.671 52.037 -0.038 0.000 0.644 289 A CB -0.295 18.715 19.000 0.016 0.000 0.805 289 A HN 0.406 nan 8.150 nan 0.000 0.449 290 E N -0.215 119.813 120.200 -0.288 0.000 2.024 290 E HA -0.083 4.305 4.350 0.063 0.000 0.190 290 E C 1.992 178.251 176.600 -0.567 0.000 0.974 290 E CA 1.441 57.551 56.400 -0.484 0.000 0.810 290 E CB -0.141 29.273 29.700 -0.477 0.000 0.775 290 E HN 0.411 nan 8.360 nan 0.000 0.453 291 V N -0.554 119.101 119.914 -0.432 0.000 2.453 291 V HA -0.093 4.065 4.120 0.063 0.000 0.247 291 V C 2.161 178.352 176.094 0.162 0.000 1.048 291 V CA 1.409 63.614 62.300 -0.158 0.000 1.049 291 V CB -0.550 31.355 31.823 0.136 0.000 0.672 291 V HN 0.275 nan 8.190 nan 0.000 0.457 292 I N -0.370 120.245 120.570 0.075 0.000 2.296 292 I HA -0.013 4.195 4.170 0.063 0.000 0.242 292 I C 2.501 178.688 176.117 0.118 0.000 1.087 292 I CA 1.303 62.673 61.300 0.117 0.000 1.393 292 I CB -0.194 37.849 38.000 0.072 0.000 1.093 292 I HN 0.236 nan 8.210 nan 0.000 0.421 293 L N 0.264 121.533 121.223 0.077 0.000 2.062 293 L HA 0.087 4.464 4.340 0.063 0.000 0.202 293 L C 2.739 179.699 176.870 0.151 0.000 1.079 293 L CA 1.370 56.292 54.840 0.136 0.000 0.755 293 L CB -1.320 40.877 42.059 0.229 0.000 0.913 293 L HN 0.242 nan 8.230 nan 0.000 0.445 294 G N 0.056 108.803 108.800 -0.088 0.000 2.446 294 G HA2 -0.223 3.775 3.960 0.063 0.000 0.217 294 G HA3 -0.223 3.775 3.960 0.063 0.000 0.217 294 G C 1.538 176.543 174.900 0.176 0.000 1.168 294 G CA 0.835 45.884 45.100 -0.085 0.000 0.771 294 G HN 0.498 nan 8.290 nan 0.000 0.551 295 G N -0.208 108.710 108.800 0.197 0.000 2.534 295 G HA2 0.063 4.061 3.960 0.063 0.000 0.217 295 G HA3 0.063 4.061 3.960 0.063 0.000 0.217 295 G C 1.711 176.765 174.900 0.258 0.000 1.128 295 G CA 1.116 46.416 45.100 0.332 0.000 0.784 295 G HN 0.422 nan 8.290 nan 0.000 0.542 296 S N -0.330 115.498 115.700 0.213 0.000 2.556 296 S HA 0.309 4.816 4.470 0.063 0.000 0.216 296 S C 1.688 176.305 174.600 0.029 0.000 0.970 296 S CA -0.299 58.003 58.200 0.171 0.000 0.912 296 S CB 0.189 63.469 63.200 0.134 0.000 0.790 296 S HN 0.361 nan 8.310 nan 0.000 0.504 297 I N 0.267 120.865 120.570 0.047 0.000 3.649 297 I HA 0.004 4.212 4.170 0.063 0.000 0.234 297 I C 2.180 178.222 176.117 -0.125 0.000 1.053 297 I CA 0.368 61.635 61.300 -0.054 0.000 1.538 297 I CB -0.634 37.362 38.000 -0.006 0.000 1.445 297 I HN 0.100 nan 8.210 nan 0.000 0.464 298 S N 1.579 117.196 115.700 -0.138 0.000 2.351 298 S HA -0.140 4.367 4.470 0.063 0.000 0.220 298 S C 2.023 176.572 174.600 -0.085 0.000 1.035 298 S CA 1.333 59.420 58.200 -0.188 0.000 1.031 298 S CB -0.306 62.840 63.200 -0.091 0.000 0.928 298 S HN 0.228 nan 8.310 nan 0.000 0.433 299 I N 2.125 122.693 120.570 -0.002 0.000 2.099 299 I HA -0.090 4.118 4.170 0.063 0.000 0.239 299 I C -0.741 175.414 176.117 0.063 0.000 1.066 299 I CA 1.340 62.662 61.300 0.037 0.000 1.324 299 I CB -2.819 35.233 38.000 0.086 0.000 1.037 299 I HN 0.176 nan 8.210 nan 0.000 0.401 300 P HA -0.126 nan 4.420 nan 0.000 0.216 300 P C 1.675 179.034 177.300 0.098 0.000 1.150 300 P CA 2.044 65.231 63.100 0.146 0.000 0.837 300 P CB 0.001 31.852 31.700 0.251 0.000 0.786 301 A N -0.238 122.608 122.820 0.043 0.000 1.898 301 A HA -0.079 4.279 4.320 0.063 0.000 0.216 301 A C 2.295 179.911 177.584 0.052 0.000 1.181 301 A CA 2.008 54.062 52.037 0.028 0.000 0.620 301 A CB -1.553 17.379 19.000 -0.114 0.000 0.819 301 A HN 0.192 nan 8.150 nan 0.000 0.442 302 A N -0.622 122.218 122.820 0.032 0.000 1.873 302 A HA 0.042 4.399 4.320 0.063 0.000 0.215 302 A C 2.193 179.876 177.584 0.164 0.000 1.186 302 A CA 1.674 53.794 52.037 0.139 0.000 0.616 302 A CB -0.891 18.149 19.000 0.067 0.000 0.823 302 A HN 0.379 nan 8.150 nan 0.000 0.442 303 V N -0.017 119.932 119.914 0.059 0.000 2.515 303 V HA -0.218 3.940 4.120 0.063 0.000 0.250 303 V C 3.011 179.109 176.094 0.006 0.000 1.058 303 V CA 1.737 64.042 62.300 0.008 0.000 1.064 303 V CB -1.190 30.613 31.823 -0.032 0.000 0.675 303 V HN 0.610 nan 8.190 nan 0.000 0.461 304 A N -0.508 122.323 122.820 0.020 0.000 1.877 304 A HA -0.192 4.166 4.320 0.063 0.000 0.216 304 A C 2.037 179.519 177.584 -0.169 0.000 1.186 304 A CA 1.919 53.927 52.037 -0.049 0.000 0.620 304 A CB -0.658 18.342 19.000 -0.001 0.000 0.822 304 A HN 0.475 nan 8.150 nan 0.000 0.443 305 F N -2.374 117.413 119.950 -0.272 0.000 2.335 305 F HA 0.128 4.693 4.527 0.063 0.000 0.296 305 F C 1.444 176.841 175.800 -0.672 0.000 1.091 305 F CA 1.018 58.693 58.000 -0.542 0.000 1.399 305 F CB 0.128 38.618 39.000 -0.850 0.000 1.067 305 F HN 0.217 nan 8.300 nan 0.000 0.520 306 F N -0.731 119.275 119.950 0.093 0.000 2.746 306 F HA 0.478 5.043 4.527 0.062 0.000 0.313 306 F C 1.105 176.883 175.800 -0.038 0.000 1.095 306 F CA 0.222 58.234 58.000 0.019 0.000 1.224 306 F CB -0.158 38.839 39.000 -0.004 0.000 1.060 306 F HN -0.100 nan 8.300 nan 0.000 0.584 307 G N 0.462 109.308 108.800 0.076 0.000 2.699 307 G HA2 -0.149 3.849 3.960 0.063 0.000 0.686 307 G HA3 -0.149 3.849 3.960 0.063 0.000 0.686 307 G C 0.454 175.313 174.900 -0.068 0.000 1.301 307 G CA -0.616 44.478 45.100 -0.008 0.000 0.816 307 G HN -0.057 nan 8.290 nan 0.000 0.595 308 V N 1.342 121.162 119.914 -0.156 0.000 2.255 308 V HA -0.122 4.036 4.120 0.063 0.000 0.247 308 V C 3.481 179.392 176.094 -0.306 0.000 1.051 308 V CA 3.634 65.727 62.300 -0.347 0.000 1.018 308 V CB -1.487 30.105 31.823 -0.384 0.000 0.641 308 V HN 1.922 nan 8.190 nan 0.000 0.445 309 A N 0.534 123.248 122.820 -0.177 0.000 1.873 309 A HA -0.289 4.068 4.320 0.063 0.000 0.218 309 A C 2.086 179.600 177.584 -0.117 0.000 1.193 309 A CA 2.376 54.336 52.037 -0.129 0.000 0.629 309 A CB -0.801 18.155 19.000 -0.073 0.000 0.826 309 A HN 0.623 nan 8.150 nan 0.000 0.447 310 N N 0.121 118.774 118.700 -0.078 0.000 2.188 310 N HA -0.079 4.698 4.740 0.063 0.000 0.184 310 N C 1.935 177.367 175.510 -0.131 0.000 1.018 310 N CA 1.412 54.413 53.050 -0.081 0.000 0.858 310 N CB -0.547 37.938 38.487 -0.004 0.000 0.989 310 N HN 0.495 nan 8.380 nan 0.000 0.426 311 A N 1.051 123.807 122.820 -0.106 0.000 1.877 311 A HA -0.097 4.260 4.320 0.063 0.000 0.216 311 A C 2.534 180.017 177.584 -0.168 0.000 1.186 311 A CA 1.401 53.365 52.037 -0.122 0.000 0.620 311 A CB -0.861 18.059 19.000 -0.132 0.000 0.822 311 A HN 0.096 nan 8.150 nan 0.000 0.443 312 V N -0.095 119.691 119.914 -0.213 0.000 2.332 312 V HA -0.268 3.890 4.120 0.063 0.000 0.248 312 V C 3.034 179.054 176.094 -0.122 0.000 1.055 312 V CA 1.986 64.186 62.300 -0.168 0.000 1.038 312 V CB -1.276 30.444 31.823 -0.171 0.000 0.651 312 V HN 0.629 nan 8.190 nan 0.000 0.450 313 A N -0.191 122.556 122.820 -0.122 0.000 1.933 313 A HA -0.148 4.210 4.320 0.063 0.000 0.218 313 A C 2.175 179.692 177.584 -0.111 0.000 1.175 313 A CA 1.775 53.750 52.037 -0.104 0.000 0.628 313 A CB -0.516 18.424 19.000 -0.100 0.000 0.814 313 A HN 0.518 nan 8.150 nan 0.000 0.444 314 I N -0.389 120.094 120.570 -0.144 0.000 2.394 314 I HA -0.239 3.969 4.170 0.063 0.000 0.251 314 I C 2.832 178.890 176.117 -0.098 0.000 1.136 314 I CA 0.958 62.171 61.300 -0.146 0.000 1.425 314 I CB -0.228 37.639 38.000 -0.221 0.000 1.079 314 I HN 0.361 nan 8.210 nan 0.000 0.425 315 A N 0.499 123.259 122.820 -0.101 0.000 2.014 315 A HA -0.133 4.225 4.320 0.063 0.000 0.218 315 A C 2.227 179.756 177.584 -0.092 0.000 1.163 315 A CA 1.156 53.138 52.037 -0.091 0.000 0.652 315 A CB -0.261 18.675 19.000 -0.106 0.000 0.808 315 A HN 0.298 nan 8.150 nan 0.000 0.449 316 K N -0.439 119.908 120.400 -0.087 0.000 2.365 316 K HA 0.172 4.530 4.320 0.063 0.000 0.197 316 K C 2.063 178.624 176.600 -0.064 0.000 1.042 316 K CA 0.637 56.876 56.287 -0.079 0.000 0.987 316 K CB -0.056 32.402 32.500 -0.070 0.000 0.779 316 K HN 0.436 nan 8.250 nan 0.000 0.484 317 A N 1.282 124.069 122.820 -0.055 0.000 1.855 317 A HA 0.113 4.470 4.320 0.063 0.000 0.213 317 A C 1.111 178.684 177.584 -0.019 0.000 1.195 317 A CA 1.225 53.243 52.037 -0.031 0.000 0.610 317 A CB -0.035 18.951 19.000 -0.023 0.000 0.837 317 A HN 0.278 nan 8.150 nan 0.000 0.444 318 G N -2.552 106.241 108.800 -0.012 0.000 2.733 318 G HA2 0.523 4.520 3.960 0.063 0.000 0.289 318 G HA3 0.523 4.520 3.960 0.063 0.000 0.289 318 G C 0.540 175.414 174.900 -0.043 0.000 1.473 318 G CA 0.330 45.428 45.100 -0.003 0.000 1.123 318 G HN 0.679 nan 8.290 nan 0.000 0.544 319 A N 1.984 124.690 122.820 -0.191 0.000 1.997 319 A HA -0.039 4.319 4.320 0.063 0.000 0.221 319 A C 1.696 179.206 177.584 -0.123 0.000 1.172 319 A CA 1.574 53.452 52.037 -0.266 0.000 0.645 319 A CB -0.489 18.215 19.000 -0.493 0.000 0.813 319 A HN 0.691 nan 8.150 nan 0.000 0.454 320 F N -0.535 119.521 119.950 0.176 0.000 2.664 320 F HA -0.002 4.564 4.527 0.064 0.000 0.296 320 F C 2.082 178.076 175.800 0.323 0.000 1.125 320 F CA 0.364 58.555 58.000 0.318 0.000 1.444 320 F CB -0.375 38.793 39.000 0.279 0.000 1.114 320 F HN 0.281 nan 8.300 nan 0.000 0.576 321 N N 0.872 119.774 118.700 0.336 0.000 2.011 321 N HA -0.263 4.515 4.740 0.063 0.000 0.199 321 N C 1.762 177.385 175.510 0.190 0.000 1.047 321 N CA 1.301 54.491 53.050 0.233 0.000 0.863 321 N CB -0.307 38.239 38.487 0.099 0.000 1.056 321 N HN 0.086 nan 8.380 nan 0.000 0.427 322 L N 0.430 121.726 121.223 0.120 0.000 2.079 322 L HA -0.092 4.286 4.340 0.063 0.000 0.210 322 L C 2.101 179.005 176.870 0.056 0.000 1.081 322 L CA 1.665 56.532 54.840 0.045 0.000 0.752 322 L CB -0.801 41.265 42.059 0.011 0.000 0.896 322 L HN 0.242 nan 8.230 nan 0.000 0.433 323 G N -3.027 105.901 108.800 0.213 0.000 2.608 323 G HA2 -0.108 3.889 3.960 0.063 0.000 0.210 323 G HA3 -0.108 3.889 3.960 0.063 0.000 0.210 323 G C 1.150 176.175 174.900 0.209 0.000 1.139 323 G CA 0.146 45.388 45.100 0.237 0.000 0.812 323 G HN 0.359 nan 8.290 nan 0.000 0.529 324 F N -0.318 119.858 119.950 0.377 0.000 2.717 324 F HA 0.464 5.028 4.527 0.062 0.000 0.295 324 F C 1.930 178.016 175.800 0.475 0.000 1.117 324 F CA 0.049 58.299 58.000 0.416 0.000 1.361 324 F CB 0.490 39.571 39.000 0.134 0.000 1.112 324 F HN 0.042 nan 8.300 nan 0.000 0.594 325 I N -1.955 118.892 120.570 0.461 0.000 3.518 325 I HA -0.058 4.150 4.170 0.063 0.000 0.260 325 I C 2.022 178.185 176.117 0.077 0.000 1.148 325 I CA 0.551 62.059 61.300 0.346 0.000 1.440 325 I CB -0.510 37.659 38.000 0.281 0.000 1.485 325 I HN -0.198 nan 8.210 nan 0.000 0.456 326 T N 2.100 116.656 114.554 0.002 0.000 2.643 326 T HA -0.170 4.217 4.350 0.063 0.000 0.264 326 T C 1.870 176.395 174.700 -0.292 0.000 1.045 326 T CA 1.548 63.578 62.100 -0.117 0.000 1.155 326 T CB -0.351 68.462 68.868 -0.091 0.000 0.863 326 T HN 0.079 nan 8.240 nan 0.000 0.420 327 L N 2.753 123.734 121.223 -0.403 0.000 2.012 327 L HA -0.022 4.356 4.340 0.063 0.000 0.210 327 L C -0.659 175.627 176.870 -0.973 0.000 1.073 327 L CA 1.940 56.281 54.840 -0.831 0.000 0.748 327 L CB -1.278 40.095 42.059 -1.143 0.000 0.891 327 L HN 0.167 nan 8.230 nan 0.000 0.431 328 P HA -0.122 nan 4.420 nan 0.000 0.221 328 P C 1.266 178.152 177.300 -0.690 0.000 1.150 328 P CA 1.770 64.670 63.100 -0.333 0.000 0.800 328 P CB -0.067 31.757 31.700 0.207 0.000 0.787 329 A N 0.229 122.425 122.820 -1.040 0.000 1.897 329 A HA -0.090 4.268 4.320 0.063 0.000 0.215 329 A C 2.353 179.569 177.584 -0.614 0.000 1.181 329 A CA 1.050 52.360 52.037 -1.211 0.000 0.620 329 A CB -1.428 17.151 19.000 -0.701 0.000 0.821 329 A HN 0.088 nan 8.150 nan 0.000 0.443 330 I N -1.289 118.928 120.570 -0.587 0.000 2.179 330 I HA -0.221 3.987 4.170 0.063 0.000 0.242 330 I C 2.176 178.050 176.117 -0.404 0.000 1.088 330 I CA 1.130 62.001 61.300 -0.716 0.000 1.357 330 I CB -0.389 37.188 38.000 -0.706 0.000 1.051 330 I HN 0.235 nan 8.210 nan 0.000 0.409 331 F N 1.354 121.092 119.950 -0.354 0.000 2.171 331 F HA -0.216 4.349 4.527 0.063 0.000 0.300 331 F C 3.026 178.772 175.800 -0.089 0.000 1.090 331 F CA 1.356 59.244 58.000 -0.187 0.000 1.293 331 F CB -1.567 37.357 39.000 -0.126 0.000 1.013 331 F HN 0.191 nan 8.300 nan 0.000 0.486 332 S N -0.566 115.197 115.700 0.105 0.000 2.465 332 S HA -0.185 4.323 4.470 0.063 0.000 0.241 332 S C 1.503 176.156 174.600 0.088 0.000 1.000 332 S CA 0.866 59.157 58.200 0.152 0.000 0.964 332 S CB -0.422 62.932 63.200 0.256 0.000 0.763 332 S HN 0.381 nan 8.310 nan 0.000 0.512 333 Q N 1.681 121.485 119.800 0.006 0.000 2.403 333 Q HA 0.175 4.553 4.340 0.063 0.000 0.203 333 Q C 0.615 176.667 176.000 0.086 0.000 0.932 333 Q CA 0.604 56.424 55.803 0.029 0.000 0.945 333 Q CB 0.255 28.971 28.738 -0.036 0.000 1.045 333 Q HN 0.888 nan 8.270 nan 0.000 0.511 334 T N -3.540 111.065 114.554 0.084 0.000 2.916 334 T HA 0.734 5.121 4.350 0.063 0.000 0.292 334 T C -0.241 174.497 174.700 0.063 0.000 1.055 334 T CA -0.853 61.295 62.100 0.080 0.000 1.009 334 T CB 2.059 70.972 68.868 0.075 0.000 1.118 334 T HN 0.069 nan 8.240 nan 0.000 0.497 335 A N 0.455 123.303 122.820 0.047 0.000 2.524 335 A HA 0.534 4.892 4.320 0.063 0.000 0.250 335 A C 1.620 179.234 177.584 0.049 0.000 1.078 335 A CA 0.328 52.390 52.037 0.042 0.000 0.761 335 A CB -1.420 17.596 19.000 0.027 0.000 1.012 335 A HN 2.449 nan 8.150 nan 0.000 0.500 336 G N 1.668 110.509 108.800 0.069 0.000 2.160 336 G HA2 -0.131 3.866 3.960 0.063 0.000 0.251 336 G HA3 -0.131 3.866 3.960 0.063 0.000 0.251 336 G C 1.179 176.174 174.900 0.157 0.000 1.008 336 G CA 0.866 46.033 45.100 0.111 0.000 0.724 336 G HN 1.856 nan 8.290 nan 0.000 0.514 337 G N -0.577 108.303 108.800 0.133 0.000 2.432 337 G HA2 -0.013 3.984 3.960 0.063 0.000 0.219 337 G HA3 -0.013 3.984 3.960 0.063 0.000 0.219 337 G C 1.620 176.699 174.900 0.298 0.000 1.135 337 G CA 2.194 47.388 45.100 0.157 0.000 0.767 337 G HN 0.628 nan 8.290 nan 0.000 0.550 338 T N 0.429 115.177 114.554 0.325 0.000 2.821 338 T HA -0.069 4.319 4.350 0.063 0.000 0.267 338 T C 1.886 176.906 174.700 0.535 0.000 1.046 338 T CA 0.814 63.182 62.100 0.446 0.000 1.139 338 T CB -0.221 68.798 68.868 0.252 0.000 0.871 338 T HN 0.249 nan 8.240 nan 0.000 0.454 339 F N 1.140 121.252 119.950 0.270 0.000 2.259 339 F HA 0.140 4.688 4.527 0.034 0.000 0.298 339 F C 1.805 177.790 175.800 0.307 0.000 1.088 339 F CA 0.324 58.499 58.000 0.292 0.000 1.358 339 F CB -0.253 38.847 39.000 0.166 0.000 1.040 339 F HN 0.007 nan 8.300 nan 0.000 0.505 340 L N 0.183 121.546 121.223 0.232 0.000 2.141 340 L HA 0.084 4.461 4.340 0.063 0.000 0.209 340 L C 2.440 179.341 176.870 0.052 0.000 1.094 340 L CA 1.943 56.758 54.840 -0.041 0.000 0.763 340 L CB -1.368 40.419 42.059 -0.453 0.000 0.908 340 L HN 0.172 nan 8.230 nan 0.000 0.437 341 G N -1.261 107.723 108.800 0.306 0.000 2.408 341 G HA2 -0.331 3.666 3.960 0.063 0.000 0.217 341 G HA3 -0.331 3.666 3.960 0.063 0.000 0.217 341 G C 1.544 176.554 174.900 0.183 0.000 1.150 341 G CA 0.718 45.986 45.100 0.280 0.000 0.776 341 G HN 0.460 nan 8.290 nan 0.000 0.542 342 F N 1.497 121.551 119.950 0.173 0.000 2.134 342 F HA 0.011 4.554 4.527 0.026 0.000 0.299 342 F C 2.277 178.070 175.800 -0.013 0.000 1.097 342 F CA 1.160 59.234 58.000 0.124 0.000 1.264 342 F CB -0.277 38.697 39.000 -0.043 0.000 1.001 342 F HN 0.057 nan 8.300 nan 0.000 0.479 343 L N -0.609 120.322 121.223 -0.487 0.000 2.093 343 L HA -0.222 4.156 4.340 0.063 0.000 0.208 343 L C 2.601 179.332 176.870 -0.232 0.000 1.085 343 L CA 1.445 55.979 54.840 -0.511 0.000 0.755 343 L CB -1.105 40.790 42.059 -0.275 0.000 0.904 343 L HN 0.529 nan 8.230 nan 0.000 0.435 344 W N 0.920 122.015 121.300 -0.342 0.000 2.358 344 W HA -0.255 4.442 4.660 0.062 0.000 0.303 344 W C 2.017 178.208 176.519 -0.546 0.000 1.208 344 W CA 1.237 58.320 57.345 -0.436 0.000 1.274 344 W CB -0.218 28.951 29.460 -0.484 0.000 1.138 344 W HN 0.069 nan 8.180 nan 0.000 0.515 345 F N -0.447 119.297 119.950 -0.344 0.000 2.367 345 F HA -0.054 4.506 4.527 0.056 0.000 0.298 345 F C 2.181 177.808 175.800 -0.288 0.000 1.094 345 F CA 1.026 58.773 58.000 -0.422 0.000 1.409 345 F CB -1.539 37.368 39.000 -0.155 0.000 1.064 345 F HN -0.184 nan 8.300 nan 0.000 0.528 346 F N 0.135 119.881 119.950 -0.340 0.000 2.206 346 F HA -0.124 4.463 4.527 0.101 0.000 0.298 346 F C 2.178 177.790 175.800 -0.314 0.000 1.090 346 F CA 0.858 58.640 58.000 -0.364 0.000 1.323 346 F CB -0.325 38.207 39.000 -0.781 0.000 1.028 346 F HN -0.041 nan 8.300 nan 0.000 0.492 347 L N 0.457 121.509 121.223 -0.285 0.000 1.994 347 L HA -0.183 4.194 4.340 0.063 0.000 0.208 347 L C 2.040 178.648 176.870 -0.436 0.000 1.071 347 L CA 1.898 56.516 54.840 -0.370 0.000 0.745 347 L CB -1.019 40.769 42.059 -0.453 0.000 0.892 347 L HN 0.204 nan 8.230 nan 0.000 0.431 348 L N -1.455 119.425 121.223 -0.571 0.000 2.079 348 L HA -0.232 4.145 4.340 0.063 0.000 0.210 348 L C 2.503 179.282 176.870 -0.151 0.000 1.081 348 L CA 1.498 56.065 54.840 -0.455 0.000 0.752 348 L CB -0.795 40.890 42.059 -0.622 0.000 0.896 348 L HN 0.345 nan 8.230 nan 0.000 0.433 349 F N 0.379 120.190 119.950 -0.231 0.000 2.075 349 F HA -0.242 4.317 4.527 0.054 0.000 0.297 349 F C 2.262 178.088 175.800 0.042 0.000 1.113 349 F CA 1.420 59.359 58.000 -0.102 0.000 1.218 349 F CB -0.423 38.493 39.000 -0.140 0.000 0.984 349 F HN -0.118 nan 8.300 nan 0.000 0.472 350 F N 0.670 120.363 119.950 -0.429 0.000 2.171 350 F HA -0.059 4.508 4.527 0.066 0.000 0.300 350 F C 2.585 178.263 175.800 -0.203 0.000 1.090 350 F CA 0.861 58.647 58.000 -0.357 0.000 1.293 350 F CB -1.567 37.269 39.000 -0.274 0.000 1.013 350 F HN 0.090 nan 8.300 nan 0.000 0.486 351 A N -0.172 122.660 122.820 0.019 0.000 1.902 351 A HA -0.043 4.315 4.320 0.063 0.000 0.217 351 A C 2.600 180.226 177.584 0.069 0.000 1.181 351 A CA 1.788 53.865 52.037 0.066 0.000 0.623 351 A CB -1.465 17.591 19.000 0.093 0.000 0.818 351 A HN 0.386 nan 8.150 nan 0.000 0.443 352 G N -0.545 108.259 108.800 0.008 0.000 2.408 352 G HA2 -0.015 3.983 3.960 0.063 0.000 0.215 352 G HA3 -0.015 3.983 3.960 0.063 0.000 0.215 352 G C 1.451 176.372 174.900 0.036 0.000 1.156 352 G CA 0.986 46.138 45.100 0.087 0.000 0.793 352 G HN 0.436 nan 8.290 nan 0.000 0.535 353 L N 2.005 123.095 121.223 -0.223 0.000 2.046 353 L HA -0.062 4.316 4.340 0.063 0.000 0.208 353 L C 3.044 179.832 176.870 -0.138 0.000 1.077 353 L CA 2.768 57.422 54.840 -0.311 0.000 0.747 353 L CB -1.051 40.610 42.059 -0.663 0.000 0.896 353 L HN 0.351 nan 8.230 nan 0.000 0.432 354 T N -4.802 109.730 114.554 -0.036 0.000 2.962 354 T HA -0.062 4.326 4.350 0.063 0.000 0.270 354 T C 1.799 176.495 174.700 -0.005 0.000 1.088 354 T CA 1.341 63.468 62.100 0.045 0.000 1.127 354 T CB -0.435 68.464 68.868 0.052 0.000 0.883 354 T HN 0.330 nan 8.240 nan 0.000 0.493 355 S N 1.488 117.162 115.700 -0.043 0.000 2.456 355 S HA 0.040 4.548 4.470 0.063 0.000 0.224 355 S C 2.434 176.859 174.600 -0.292 0.000 1.035 355 S CA 0.633 58.723 58.200 -0.182 0.000 0.940 355 S CB -0.125 62.968 63.200 -0.178 0.000 0.799 355 S HN 0.813 nan 8.310 nan 0.000 0.508 356 S N 3.110 118.724 115.700 -0.142 0.000 2.383 356 S HA -0.053 4.455 4.470 0.063 0.000 0.227 356 S C 1.979 176.507 174.600 -0.120 0.000 1.026 356 S CA 1.026 59.147 58.200 -0.131 0.000 0.981 356 S CB -0.963 62.269 63.200 0.052 0.000 0.818 356 S HN 0.698 nan 8.310 nan 0.000 0.472 357 I N 0.017 120.532 120.570 -0.092 0.000 2.493 357 I HA 0.109 4.317 4.170 0.063 0.000 0.254 357 I C 2.516 178.639 176.117 0.010 0.000 1.160 357 I CA 1.074 62.344 61.300 -0.049 0.000 1.445 357 I CB -0.741 37.227 38.000 -0.054 0.000 1.086 357 I HN 0.319 nan 8.210 nan 0.000 0.433 358 A N 2.875 125.661 122.820 -0.058 0.000 1.929 358 A HA 0.017 4.375 4.320 0.063 0.000 0.216 358 A C 2.306 179.755 177.584 -0.225 0.000 1.176 358 A CA 1.523 53.445 52.037 -0.192 0.000 0.628 358 A CB -0.741 17.979 19.000 -0.468 0.000 0.816 358 A HN 0.688 nan 8.150 nan 0.000 0.444 359 I N -4.529 115.893 120.570 -0.248 0.000 3.684 359 I HA 0.137 4.345 4.170 0.063 0.000 0.304 359 I C 1.821 177.883 176.117 -0.091 0.000 1.278 359 I CA 0.657 61.831 61.300 -0.209 0.000 1.272 359 I CB -0.117 37.691 38.000 -0.320 0.000 1.029 359 I HN 0.144 nan 8.210 nan 0.000 0.458 360 M N 0.212 119.783 119.600 -0.049 0.000 2.514 360 M HA 0.046 4.563 4.480 0.063 0.000 0.258 360 M C 2.040 178.369 176.300 0.049 0.000 1.159 360 M CA 0.479 55.784 55.300 0.008 0.000 1.116 360 M CB 0.204 32.808 32.600 0.007 0.000 1.333 360 M HN 0.176 nan 8.290 nan 0.000 0.487 361 Q N 1.455 121.297 119.800 0.070 0.000 2.124 361 Q HA -0.072 4.305 4.340 0.063 0.000 0.202 361 Q C -1.058 175.027 176.000 0.142 0.000 0.977 361 Q CA 1.974 57.856 55.803 0.132 0.000 0.850 361 Q CB -1.219 27.673 28.738 0.257 0.000 0.901 361 Q HN 0.210 nan 8.270 nan 0.000 0.429 362 P HA -0.156 nan 4.420 nan 0.000 0.215 362 P C 1.148 178.518 177.300 0.117 0.000 1.157 362 P CA 1.475 64.635 63.100 0.100 0.000 0.868 362 P CB -0.142 31.586 31.700 0.046 0.000 0.788 363 M N -1.049 118.610 119.600 0.098 0.000 2.132 363 M HA -0.091 4.426 4.480 0.063 0.000 0.263 363 M C 1.859 178.273 176.300 0.191 0.000 1.065 363 M CA 1.743 57.120 55.300 0.129 0.000 1.122 363 M CB -1.247 31.420 32.600 0.112 0.000 1.365 363 M HN -0.198 nan 8.290 nan 0.000 0.411 364 I N -0.113 120.547 120.570 0.150 0.000 2.179 364 I HA -0.285 3.923 4.170 0.063 0.000 0.242 364 I C 2.389 178.583 176.117 0.128 0.000 1.088 364 I CA 1.290 62.669 61.300 0.132 0.000 1.357 364 I CB -0.854 37.200 38.000 0.089 0.000 1.051 364 I HN 0.393 nan 8.210 nan 0.000 0.409 365 A N 0.554 123.463 122.820 0.149 0.000 1.933 365 A HA -0.258 4.099 4.320 0.063 0.000 0.218 365 A C 2.244 179.895 177.584 0.112 0.000 1.175 365 A CA 1.475 53.596 52.037 0.140 0.000 0.628 365 A CB -0.966 18.135 19.000 0.167 0.000 0.814 365 A HN 0.481 nan 8.150 nan 0.000 0.444 366 F N 0.652 120.610 119.950 0.013 0.000 2.102 366 F HA -0.118 4.446 4.527 0.062 0.000 0.298 366 F C 1.835 177.621 175.800 -0.024 0.000 1.105 366 F CA 1.722 59.712 58.000 -0.017 0.000 1.239 366 F CB -0.234 38.738 39.000 -0.047 0.000 0.991 366 F HN 0.134 nan 8.300 nan 0.000 0.474 367 L N -0.043 121.202 121.223 0.037 0.000 2.131 367 L HA -0.172 4.206 4.340 0.063 0.000 0.210 367 L C 2.262 179.061 176.870 -0.119 0.000 1.092 367 L CA 1.522 56.325 54.840 -0.063 0.000 0.759 367 L CB -0.699 41.423 42.059 0.104 0.000 0.903 367 L HN 0.234 nan 8.230 nan 0.000 0.435 368 E N -0.144 120.016 120.200 -0.067 0.000 2.060 368 E HA -0.149 4.239 4.350 0.063 0.000 0.189 368 E C 1.698 178.225 176.600 -0.121 0.000 0.974 368 E CA 1.007 57.366 56.400 -0.068 0.000 0.808 368 E CB 0.051 29.735 29.700 -0.027 0.000 0.768 368 E HN 0.427 nan 8.360 nan 0.000 0.453 369 D N 0.698 121.017 120.400 -0.135 0.000 2.103 369 D HA -0.119 4.558 4.640 0.063 0.000 0.199 369 D C 1.868 178.051 176.300 -0.195 0.000 0.978 369 D CA 1.037 54.948 54.000 -0.149 0.000 0.829 369 D CB -0.041 40.709 40.800 -0.085 0.000 0.981 369 D HN 0.106 nan 8.370 nan 0.000 0.464 370 E N 0.034 120.014 120.200 -0.367 0.000 2.166 370 E HA 0.101 4.489 4.350 0.063 0.000 0.192 370 E C 2.124 178.469 176.600 -0.425 0.000 0.967 370 E CA 0.180 56.311 56.400 -0.448 0.000 0.840 370 E CB 0.118 29.341 29.700 -0.795 0.000 0.795 370 E HN 0.295 nan 8.360 nan 0.000 0.470 371 L N 0.720 121.666 121.223 -0.462 0.000 2.640 371 L HA 0.157 4.534 4.340 0.063 0.000 0.230 371 L C -0.004 176.754 176.870 -0.187 0.000 1.123 371 L CA -0.134 54.524 54.840 -0.303 0.000 0.900 371 L CB 0.135 42.021 42.059 -0.288 0.000 1.146 371 L HN -0.126 nan 8.230 nan 0.000 0.484 372 K N 0.106 120.404 120.400 -0.169 0.000 3.069 372 K HA -0.185 4.172 4.320 0.063 0.000 0.267 372 K C -0.237 176.328 176.600 -0.057 0.000 1.082 372 K CA 0.556 56.780 56.287 -0.106 0.000 0.782 372 K CB -2.112 30.332 32.500 -0.094 0.000 1.230 372 K HN 0.163 nan 8.250 nan 0.000 0.488 373 L N 0.858 122.057 121.223 -0.039 0.000 2.436 373 L HA 0.128 4.505 4.340 0.063 0.000 0.265 373 L C 1.367 178.257 176.870 0.033 0.000 1.168 373 L CA 0.334 55.200 54.840 0.044 0.000 0.815 373 L CB 0.801 42.917 42.059 0.094 0.000 1.109 373 L HN 0.285 nan 8.230 nan 0.000 0.462 374 S N 1.772 117.500 115.700 0.047 0.000 2.593 374 S HA 0.181 4.689 4.470 0.063 0.000 0.269 374 S C 1.201 175.783 174.600 -0.030 0.000 1.334 374 S CA -0.334 57.837 58.200 -0.048 0.000 1.015 374 S CB 0.544 63.642 63.200 -0.171 0.000 0.912 374 S HN 0.651 nan 8.310 nan 0.000 0.541 375 R N 1.202 121.663 120.500 -0.064 0.000 2.091 375 R HA -0.156 4.222 4.340 0.063 0.000 0.238 375 R C 2.292 178.570 176.300 -0.037 0.000 1.136 375 R CA 1.848 57.916 56.100 -0.052 0.000 0.959 375 R CB -0.374 29.872 30.300 -0.090 0.000 0.856 375 R HN 0.850 nan 8.270 nan 0.000 0.437 376 K N -0.492 119.855 120.400 -0.088 0.000 2.032 376 K HA -0.210 4.148 4.320 0.063 0.000 0.209 376 K C 1.791 178.414 176.600 0.039 0.000 1.048 376 K CA 2.068 58.307 56.287 -0.080 0.000 0.927 376 K CB -0.206 32.189 32.500 -0.174 0.000 0.712 376 K HN 0.496 nan 8.250 nan 0.000 0.441 377 H N -0.879 118.226 119.070 0.059 0.000 2.389 377 H HA -0.027 4.566 4.556 0.063 0.000 0.299 377 H C 2.029 177.508 175.328 0.252 0.000 1.081 377 H CA 0.597 56.739 56.048 0.157 0.000 1.345 377 H CB 0.128 30.018 29.762 0.212 0.000 1.393 377 H HN 0.383 nan 8.280 nan 0.000 0.520 378 A N 0.610 123.599 122.820 0.281 0.000 1.898 378 A HA -0.119 4.239 4.320 0.063 0.000 0.216 378 A C 2.550 180.253 177.584 0.199 0.000 1.181 378 A CA 1.339 53.515 52.037 0.230 0.000 0.620 378 A CB -0.677 18.400 19.000 0.128 0.000 0.819 378 A HN 0.191 nan 8.150 nan 0.000 0.442 379 V N 0.203 120.186 119.914 0.116 0.000 2.307 379 V HA -0.229 3.929 4.120 0.063 0.000 0.245 379 V C 2.568 178.702 176.094 0.066 0.000 1.045 379 V CA 1.854 64.193 62.300 0.064 0.000 1.024 379 V CB -0.802 31.017 31.823 -0.007 0.000 0.651 379 V HN 0.558 nan 8.190 nan 0.000 0.449 380 L N -1.773 119.475 121.223 0.040 0.000 2.046 380 L HA -0.210 4.168 4.340 0.063 0.000 0.208 380 L C 2.428 179.265 176.870 -0.056 0.000 1.077 380 L CA 2.038 56.846 54.840 -0.054 0.000 0.747 380 L CB -0.545 41.433 42.059 -0.135 0.000 0.896 380 L HN 0.393 nan 8.230 nan 0.000 0.432 381 W N 0.038 121.391 121.300 0.089 0.000 2.388 381 W HA -0.155 4.543 4.660 0.064 0.000 0.294 381 W C 2.712 179.306 176.519 0.124 0.000 1.212 381 W CA 1.281 58.686 57.345 0.101 0.000 1.271 381 W CB -0.447 29.076 29.460 0.105 0.000 1.126 381 W HN 0.009 nan 8.180 nan 0.000 0.535 382 T N -0.050 114.704 114.554 0.334 0.000 2.777 382 T HA -0.176 4.212 4.350 0.063 0.000 0.266 382 T C 1.946 176.771 174.700 0.208 0.000 1.040 382 T CA 1.621 63.873 62.100 0.253 0.000 1.141 382 T CB -0.673 68.305 68.868 0.183 0.000 0.868 382 T HN 0.184 nan 8.240 nan 0.000 0.444 383 A N 1.418 124.327 122.820 0.149 0.000 1.902 383 A HA 0.174 4.531 4.320 0.063 0.000 0.217 383 A C 2.631 180.335 177.584 0.201 0.000 1.181 383 A CA 1.772 53.881 52.037 0.119 0.000 0.623 383 A CB -1.050 17.965 19.000 0.025 0.000 0.818 383 A HN 0.499 nan 8.150 nan 0.000 0.443 384 A N 0.029 122.962 122.820 0.188 0.000 1.902 384 A HA -0.078 4.280 4.320 0.063 0.000 0.217 384 A C 2.114 179.925 177.584 0.378 0.000 1.181 384 A CA 1.523 53.713 52.037 0.254 0.000 0.623 384 A CB -0.606 18.458 19.000 0.106 0.000 0.818 384 A HN 0.498 nan 8.150 nan 0.000 0.443 385 I N -0.437 120.344 120.570 0.353 0.000 2.226 385 I HA -0.208 4.000 4.170 0.063 0.000 0.245 385 I C 2.320 178.665 176.117 0.381 0.000 1.100 385 I CA 1.116 62.629 61.300 0.354 0.000 1.374 385 I CB -0.330 37.855 38.000 0.309 0.000 1.057 385 I HN 0.155 nan 8.210 nan 0.000 0.413 386 V N 0.634 120.747 119.914 0.331 0.000 2.307 386 V HA -0.288 3.870 4.120 0.063 0.000 0.245 386 V C 2.287 178.614 176.094 0.388 0.000 1.045 386 V CA 1.855 64.342 62.300 0.311 0.000 1.024 386 V CB -0.741 31.229 31.823 0.244 0.000 0.651 386 V HN 0.356 nan 8.190 nan 0.000 0.449 387 F N 0.736 120.862 119.950 0.294 0.000 2.095 387 F HA -0.243 4.322 4.527 0.063 0.000 0.298 387 F C 2.132 178.223 175.800 0.486 0.000 1.104 387 F CA 1.863 60.084 58.000 0.369 0.000 1.232 387 F CB -0.626 38.520 39.000 0.242 0.000 0.987 387 F HN 0.194 nan 8.300 nan 0.000 0.475 388 F N 0.919 120.974 119.950 0.175 0.000 2.051 388 F HA -0.184 4.380 4.527 0.062 0.000 0.296 388 F C 2.543 178.395 175.800 0.087 0.000 1.122 388 F CA 2.243 60.274 58.000 0.052 0.000 1.201 388 F CB -1.116 37.950 39.000 0.110 0.000 0.978 388 F HN -0.063 nan 8.300 nan 0.000 0.472 389 S N 0.735 116.469 115.700 0.057 0.000 2.402 389 S HA -0.210 4.298 4.470 0.063 0.000 0.233 389 S C 2.220 176.722 174.600 -0.165 0.000 1.030 389 S CA 0.999 59.154 58.200 -0.075 0.000 1.003 389 S CB -0.986 62.416 63.200 0.336 0.000 0.813 389 S HN 0.583 nan 8.310 nan 0.000 0.477 390 A N 1.048 123.818 122.820 -0.083 0.000 2.070 390 A HA -0.154 4.204 4.320 0.063 0.000 0.220 390 A C 1.629 178.932 177.584 -0.469 0.000 1.159 390 A CA 1.473 53.363 52.037 -0.244 0.000 0.656 390 A CB -0.761 18.106 19.000 -0.222 0.000 0.800 390 A HN 0.549 nan 8.150 nan 0.000 0.453 391 H N -1.366 117.437 119.070 -0.445 0.000 2.456 391 H HA -0.052 4.542 4.556 0.063 0.000 0.296 391 H C 1.783 177.004 175.328 -0.179 0.000 1.079 391 H CA 1.406 57.286 56.048 -0.280 0.000 1.322 391 H CB -0.091 29.504 29.762 -0.278 0.000 1.388 391 H HN 0.426 nan 8.280 nan 0.000 0.538 392 L N -0.178 120.923 121.223 -0.203 0.000 2.056 392 L HA -0.094 4.283 4.340 0.063 0.000 0.207 392 L C 2.008 178.811 176.870 -0.112 0.000 1.078 392 L CA 1.092 55.833 54.840 -0.166 0.000 0.749 392 L CB -0.365 41.526 42.059 -0.280 0.000 0.901 392 L HN 0.094 nan 8.230 nan 0.000 0.433 393 V N -0.601 119.215 119.914 -0.163 0.000 2.453 393 V HA -0.264 3.893 4.120 0.063 0.000 0.247 393 V C 2.475 178.430 176.094 -0.231 0.000 1.048 393 V CA 1.925 64.153 62.300 -0.120 0.000 1.049 393 V CB -0.438 31.349 31.823 -0.060 0.000 0.672 393 V HN 0.415 nan 8.190 nan 0.000 0.457 394 M N -1.476 117.792 119.600 -0.554 0.000 2.200 394 M HA -0.044 4.473 4.480 0.063 0.000 0.265 394 M C 1.835 177.714 176.300 -0.702 0.000 1.066 394 M CA 2.016 56.816 55.300 -0.835 0.000 1.127 394 M CB -0.208 31.626 32.600 -1.277 0.000 1.379 394 M HN 0.336 nan 8.290 nan 0.000 0.420 395 F N -0.888 118.951 119.950 -0.184 0.000 2.694 395 F HA 0.240 4.805 4.527 0.064 0.000 0.292 395 F C 0.510 176.255 175.800 -0.093 0.000 1.121 395 F CA -0.344 57.584 58.000 -0.119 0.000 1.352 395 F CB 0.331 39.265 39.000 -0.110 0.000 1.107 395 F HN -0.066 nan 8.300 nan 0.000 0.597 396 L N 1.451 122.705 121.223 0.052 0.000 2.265 396 L HA 0.368 4.746 4.340 0.063 0.000 0.289 396 L C -0.092 176.761 176.870 -0.028 0.000 1.033 396 L CA -0.597 54.247 54.840 0.006 0.000 0.814 396 L CB 0.140 42.198 42.059 -0.002 0.000 1.203 396 L HN -0.080 nan 8.230 nan 0.000 0.423 397 N N 4.468 123.136 118.700 -0.054 0.000 2.412 397 N HA 0.042 4.819 4.740 0.063 0.000 0.258 397 N C 0.208 175.676 175.510 -0.070 0.000 1.236 397 N CA 0.532 53.538 53.050 -0.072 0.000 0.882 397 N CB 0.377 38.796 38.487 -0.113 0.000 1.066 397 N HN 0.456 nan 8.380 nan 0.000 0.465 398 K N 0.198 120.574 120.400 -0.041 0.000 3.500 398 K HA -0.201 4.157 4.320 0.063 0.000 0.313 398 K C 1.059 177.651 176.600 -0.014 0.000 1.338 398 K CA 1.061 57.327 56.287 -0.035 0.000 0.963 398 K CB -2.155 30.306 32.500 -0.064 0.000 1.267 398 K HN 0.536 nan 8.250 nan 0.000 0.448 399 S N 0.463 116.164 115.700 0.001 0.000 2.368 399 S HA 0.035 4.543 4.470 0.063 0.000 0.224 399 S C 1.790 176.404 174.600 0.024 0.000 1.029 399 S CA 1.214 59.430 58.200 0.026 0.000 0.988 399 S CB 0.019 63.232 63.200 0.021 0.000 0.838 399 S HN 0.438 nan 8.310 nan 0.000 0.462 400 L N 1.296 122.526 121.223 0.012 0.000 2.012 400 L HA -0.156 4.222 4.340 0.063 0.000 0.210 400 L C 1.948 178.708 176.870 -0.183 0.000 1.073 400 L CA 2.250 57.053 54.840 -0.061 0.000 0.748 400 L CB -0.620 41.476 42.059 0.062 0.000 0.891 400 L HN 0.229 nan 8.230 nan 0.000 0.431 401 D N -0.394 119.956 120.400 -0.083 0.000 2.149 401 D HA -0.243 4.435 4.640 0.063 0.000 0.198 401 D C 2.068 178.337 176.300 -0.051 0.000 0.990 401 D CA 1.367 55.313 54.000 -0.091 0.000 0.839 401 D CB 0.034 40.792 40.800 -0.069 0.000 0.948 401 D HN 0.394 nan 8.370 nan 0.000 0.460 402 E N -0.137 120.069 120.200 0.010 0.000 2.046 402 E HA -0.026 4.361 4.350 0.063 0.000 0.190 402 E C 2.177 178.925 176.600 0.247 0.000 0.982 402 E CA 0.724 57.210 56.400 0.142 0.000 0.800 402 E CB -0.079 29.729 29.700 0.180 0.000 0.756 402 E HN 0.208 nan 8.360 nan 0.000 0.449 403 M N 0.141 119.823 119.600 0.137 0.000 2.159 403 M HA -0.148 4.369 4.480 0.063 0.000 0.263 403 M C 1.842 178.206 176.300 0.106 0.000 1.063 403 M CA 1.855 57.256 55.300 0.169 0.000 1.110 403 M CB -0.301 32.405 32.600 0.176 0.000 1.374 403 M HN 0.096 nan 8.290 nan 0.000 0.411 404 D N 0.100 120.376 120.400 -0.207 0.000 2.178 404 D HA -0.188 4.490 4.640 0.063 0.000 0.201 404 D C 1.645 178.007 176.300 0.105 0.000 0.980 404 D CA 1.112 55.042 54.000 -0.117 0.000 0.842 404 D CB 0.031 40.637 40.800 -0.324 0.000 0.948 404 D HN 0.284 nan 8.370 nan 0.000 0.472 405 F N -0.610 119.278 119.950 -0.103 0.000 2.074 405 F HA 0.010 4.575 4.527 0.062 0.000 0.293 405 F C 1.601 177.250 175.800 -0.252 0.000 1.116 405 F CA 1.304 59.168 58.000 -0.228 0.000 1.212 405 F CB -0.738 38.002 39.000 -0.433 0.000 0.998 405 F HN 0.015 nan 8.300 nan 0.000 0.471 406 W N 0.289 121.543 121.300 -0.076 0.000 2.358 406 W HA -0.051 4.646 4.660 0.062 0.000 0.303 406 W C 2.512 179.012 176.519 -0.032 0.000 1.208 406 W CA 1.646 58.914 57.345 -0.128 0.000 1.274 406 W CB -0.806 28.762 29.460 0.181 0.000 1.138 406 W HN 0.141 nan 8.180 nan 0.000 0.515 407 A N -0.424 122.505 122.820 0.181 0.000 1.887 407 A HA 0.235 4.592 4.320 0.063 0.000 0.210 407 A C 2.115 179.725 177.584 0.043 0.000 1.221 407 A CA 1.161 53.223 52.037 0.041 0.000 0.635 407 A CB -1.258 17.615 19.000 -0.212 0.000 0.881 407 A HN 0.204 nan 8.150 nan 0.000 0.456 408 G N -1.624 107.304 108.800 0.213 0.000 2.920 408 G HA2 0.262 4.259 3.960 0.063 0.000 0.208 408 G HA3 0.262 4.259 3.960 0.063 0.000 0.208 408 G C 1.006 176.070 174.900 0.273 0.000 1.159 408 G CA 1.507 46.836 45.100 0.382 0.000 0.784 408 G HN 0.440 nan 8.290 nan 0.000 0.535 409 T N 0.041 114.608 114.554 0.021 0.000 3.361 409 T HA 0.185 4.573 4.350 0.063 0.000 0.241 409 T C 2.118 176.625 174.700 -0.323 0.000 0.998 409 T CA -0.106 61.976 62.100 -0.030 0.000 1.215 409 T CB 0.060 68.947 68.868 0.031 0.000 1.196 409 T HN -0.047 nan 8.240 nan 0.000 0.376 410 I N 2.236 122.371 120.570 -0.725 0.000 2.193 410 I HA 0.018 4.225 4.170 0.063 0.000 0.240 410 I C 2.920 178.800 176.117 -0.395 0.000 1.084 410 I CA 1.714 62.503 61.300 -0.852 0.000 1.365 410 I CB -1.873 35.469 38.000 -1.097 0.000 1.064 410 I HN 0.402 nan 8.210 nan 0.000 0.410 411 G N 1.714 110.390 108.800 -0.205 0.000 2.513 411 G HA2 -0.259 3.739 3.960 0.063 0.000 0.219 411 G HA3 -0.259 3.739 3.960 0.063 0.000 0.219 411 G C 1.827 176.709 174.900 -0.031 0.000 1.160 411 G CA 2.071 47.180 45.100 0.014 0.000 0.767 411 G HN 0.394 nan 8.290 nan 0.000 0.571 412 V N -0.984 118.801 119.914 -0.215 0.000 2.407 412 V HA -0.127 4.031 4.120 0.063 0.000 0.248 412 V C 2.715 178.520 176.094 -0.483 0.000 1.055 412 V CA 1.888 63.997 62.300 -0.319 0.000 1.049 412 V CB -0.846 30.679 31.823 -0.496 0.000 0.662 412 V HN 0.175 nan 8.190 nan 0.000 0.455 413 V N 0.075 119.599 119.914 -0.650 0.000 2.358 413 V HA -0.152 4.005 4.120 0.063 0.000 0.246 413 V C 2.372 178.300 176.094 -0.276 0.000 1.047 413 V CA 2.396 64.208 62.300 -0.813 0.000 1.035 413 V CB -1.011 30.551 31.823 -0.435 0.000 0.658 413 V HN 0.612 nan 8.190 nan 0.000 0.452 414 F N 0.498 120.290 119.950 -0.264 0.000 2.102 414 F HA -0.205 4.359 4.527 0.062 0.000 0.298 414 F C 2.069 177.837 175.800 -0.054 0.000 1.105 414 F CA 1.681 59.584 58.000 -0.162 0.000 1.239 414 F CB -0.506 38.361 39.000 -0.222 0.000 0.991 414 F HN 0.164 nan 8.300 nan 0.000 0.474 415 F N 1.136 120.895 119.950 -0.318 0.000 2.234 415 F HA 0.089 4.654 4.527 0.063 0.000 0.299 415 F C 2.420 178.151 175.800 -0.115 0.000 1.087 415 F CA 1.390 59.231 58.000 -0.266 0.000 1.340 415 F CB -1.077 37.906 39.000 -0.029 0.000 1.031 415 F HN 0.031 nan 8.300 nan 0.000 0.500 416 G N 0.141 108.959 108.800 0.030 0.000 2.418 416 G HA2 -0.267 3.730 3.960 0.063 0.000 0.217 416 G HA3 -0.267 3.730 3.960 0.063 0.000 0.217 416 G C 1.612 176.492 174.900 -0.033 0.000 1.158 416 G CA 0.970 46.170 45.100 0.167 0.000 0.771 416 G HN 0.401 nan 8.290 nan 0.000 0.545 417 L N 0.839 121.990 121.223 -0.120 0.000 2.109 417 L HA 0.076 4.453 4.340 0.063 0.000 0.207 417 L C 2.866 179.522 176.870 -0.358 0.000 1.086 417 L CA 2.354 57.072 54.840 -0.204 0.000 0.760 417 L CB -0.870 41.090 42.059 -0.165 0.000 0.910 417 L HN 0.156 nan 8.230 nan 0.000 0.437 418 T N 0.296 114.561 114.554 -0.483 0.000 2.708 418 T HA -0.217 4.171 4.350 0.063 0.000 0.266 418 T C 1.590 175.976 174.700 -0.522 0.000 1.037 418 T CA 1.738 63.526 62.100 -0.518 0.000 1.146 418 T CB -0.323 68.183 68.868 -0.604 0.000 0.865 418 T HN 0.692 nan 8.240 nan 0.000 0.435 419 E N 1.181 121.056 120.200 -0.542 0.000 2.150 419 E HA -0.079 4.309 4.350 0.063 0.000 0.193 419 E C 2.308 178.744 176.600 -0.273 0.000 0.985 419 E CA 0.796 56.915 56.400 -0.468 0.000 0.814 419 E CB -0.534 28.984 29.700 -0.302 0.000 0.752 419 E HN 0.435 nan 8.360 nan 0.000 0.466 420 L N 0.758 121.832 121.223 -0.249 0.000 2.044 420 L HA -0.075 4.303 4.340 0.063 0.000 0.205 420 L C 2.510 179.195 176.870 -0.309 0.000 1.075 420 L CA 1.038 55.762 54.840 -0.194 0.000 0.747 420 L CB -0.087 41.818 42.059 -0.258 0.000 0.903 420 L HN 0.142 nan 8.230 nan 0.000 0.435 421 I N -0.075 120.193 120.570 -0.503 0.000 2.179 421 I HA -0.353 3.855 4.170 0.063 0.000 0.242 421 I C 2.396 178.343 176.117 -0.283 0.000 1.088 421 I CA 1.584 62.527 61.300 -0.594 0.000 1.357 421 I CB -0.256 37.434 38.000 -0.516 0.000 1.051 421 I HN 0.268 nan 8.210 nan 0.000 0.409 422 I N -0.317 120.070 120.570 -0.305 0.000 2.252 422 I HA -0.302 3.906 4.170 0.063 0.000 0.245 422 I C 2.438 178.537 176.117 -0.030 0.000 1.102 422 I CA 1.488 62.632 61.300 -0.259 0.000 1.385 422 I CB -0.275 37.431 38.000 -0.490 0.000 1.064 422 I HN 0.177 nan 8.210 nan 0.000 0.414 423 F N 0.406 120.260 119.950 -0.160 0.000 2.179 423 F HA -0.064 4.502 4.527 0.064 0.000 0.292 423 F C 1.990 177.877 175.800 0.145 0.000 1.089 423 F CA 1.296 59.287 58.000 -0.014 0.000 1.295 423 F CB -0.261 38.730 39.000 -0.014 0.000 1.041 423 F HN -0.130 nan 8.300 nan 0.000 0.487 424 F N -1.853 118.058 119.950 -0.066 0.000 2.698 424 F HA 0.012 4.576 4.527 0.063 0.000 0.295 424 F C 1.161 177.031 175.800 0.118 0.000 1.124 424 F CA 0.473 58.410 58.000 -0.104 0.000 1.426 424 F CB -0.046 38.885 39.000 -0.114 0.000 1.120 424 F HN -0.027 nan 8.300 nan 0.000 0.583 425 W N -0.639 120.621 121.300 -0.067 0.000 3.008 425 W HA 0.269 4.967 4.660 0.064 0.000 0.259 425 W C 2.113 178.520 176.519 -0.186 0.000 1.045 425 W CA 0.006 57.269 57.345 -0.137 0.000 1.814 425 W CB -1.114 28.271 29.460 -0.125 0.000 1.089 425 W HN -0.218 nan 8.180 nan 0.000 0.606 426 I N -0.305 120.282 120.570 0.028 0.000 2.193 426 I HA -0.273 3.935 4.170 0.063 0.000 0.240 426 I C 2.398 178.490 176.117 -0.041 0.000 1.084 426 I CA 1.537 62.753 61.300 -0.141 0.000 1.365 426 I CB -0.849 36.879 38.000 -0.454 0.000 1.064 426 I HN -0.189 nan 8.210 nan 0.000 0.410 427 F N 1.824 121.686 119.950 -0.147 0.000 2.171 427 F HA 0.088 4.653 4.527 0.063 0.000 0.300 427 F C 1.061 176.740 175.800 -0.202 0.000 1.090 427 F CA 1.204 59.122 58.000 -0.138 0.000 1.293 427 F CB -0.254 38.656 39.000 -0.150 0.000 1.013 427 F HN 0.107 nan 8.300 nan 0.000 0.486 428 G N -0.963 107.654 108.800 -0.305 0.000 3.162 428 G HA2 0.313 4.311 3.960 0.063 0.000 0.599 428 G HA3 0.313 4.311 3.960 0.063 0.000 0.599 428 G C 0.313 174.888 174.900 -0.540 0.000 1.335 428 G CA -0.414 44.428 45.100 -0.430 0.000 1.091 428 G HN 0.605 nan 8.290 nan 0.000 0.570 429 A N 1.521 124.051 122.820 -0.482 0.000 1.940 429 A HA 0.010 4.367 4.320 0.063 0.000 0.219 429 A C 1.968 179.210 177.584 -0.570 0.000 1.176 429 A CA 2.537 54.092 52.037 -0.803 0.000 0.631 429 A CB -0.169 18.590 19.000 -0.402 0.000 0.814 429 A HN 0.634 nan 8.150 nan 0.000 0.446 430 D N -0.680 119.554 120.400 -0.277 0.000 2.234 430 D HA -0.025 4.653 4.640 0.063 0.000 0.205 430 D C 1.900 178.103 176.300 -0.162 0.000 0.962 430 D CA 0.935 54.860 54.000 -0.126 0.000 0.855 430 D CB -0.148 40.579 40.800 -0.122 0.000 0.951 430 D HN 0.477 nan 8.370 nan 0.000 0.500 431 K N 0.749 120.941 120.400 -0.346 0.000 2.031 431 K HA 0.042 4.400 4.320 0.063 0.000 0.205 431 K C 2.146 178.602 176.600 -0.239 0.000 1.049 431 K CA 0.867 56.938 56.287 -0.360 0.000 0.939 431 K CB 0.013 32.014 32.500 -0.832 0.000 0.717 431 K HN -0.029 nan 8.250 nan 0.000 0.438 432 A N 1.729 124.258 122.820 -0.485 0.000 1.883 432 A HA -0.223 4.135 4.320 0.063 0.000 0.217 432 A C 1.945 179.429 177.584 -0.167 0.000 1.186 432 A CA 1.354 52.949 52.037 -0.736 0.000 0.624 432 A CB -1.113 16.967 19.000 -1.533 0.000 0.822 432 A HN 0.631 nan 8.150 nan 0.000 0.444 433 W N 0.698 121.805 121.300 -0.323 0.000 2.338 433 W HA -0.233 4.465 4.660 0.063 0.000 0.304 433 W C 1.933 178.458 176.519 0.009 0.000 1.212 433 W CA 2.333 59.680 57.345 0.003 0.000 1.264 433 W CB -0.123 29.398 29.460 0.101 0.000 1.142 433 W HN 0.522 nan 8.180 nan 0.000 0.512 434 E N 0.848 121.084 120.200 0.060 0.000 2.072 434 E HA -0.274 4.114 4.350 0.063 0.000 0.191 434 E C 1.894 178.482 176.600 -0.021 0.000 0.985 434 E CA 1.985 58.377 56.400 -0.013 0.000 0.801 434 E CB -0.457 29.258 29.700 0.025 0.000 0.750 434 E HN 0.117 nan 8.360 nan 0.000 0.452 435 E N 0.183 120.419 120.200 0.061 0.000 2.110 435 E HA -0.123 4.265 4.350 0.063 0.000 0.193 435 E C 1.896 178.566 176.600 0.116 0.000 0.988 435 E CA 1.376 57.868 56.400 0.153 0.000 0.804 435 E CB -0.274 29.597 29.700 0.286 0.000 0.745 435 E HN 0.441 nan 8.360 nan 0.000 0.458 436 I N 0.631 121.241 120.570 0.067 0.000 2.202 436 I HA -0.239 3.969 4.170 0.063 0.000 0.242 436 I C 1.888 177.862 176.117 -0.238 0.000 1.091 436 I CA 1.065 62.340 61.300 -0.042 0.000 1.368 436 I CB -0.350 37.596 38.000 -0.090 0.000 1.058 436 I HN 0.136 nan 8.210 nan 0.000 0.410 437 N N 0.891 119.370 118.700 -0.369 0.000 2.409 437 N HA -0.077 4.700 4.740 0.063 0.000 0.179 437 N C 0.945 176.337 175.510 -0.196 0.000 1.032 437 N CA 0.170 52.993 53.050 -0.379 0.000 0.898 437 N CB -0.088 38.094 38.487 -0.507 0.000 0.971 437 N HN 0.287 nan 8.380 nan 0.000 0.441 438 R N 0.803 121.239 120.500 -0.108 0.000 2.480 438 R HA 0.043 4.421 4.340 0.063 0.000 0.303 438 R C 0.859 177.143 176.300 -0.028 0.000 0.985 438 R CA 0.987 57.063 56.100 -0.040 0.000 1.051 438 R CB -0.128 30.184 30.300 0.020 0.000 0.935 438 R HN 0.298 nan 8.270 nan 0.000 0.410 439 G N 2.646 111.429 108.800 -0.029 0.000 2.162 439 G HA2 -0.268 3.730 3.960 0.063 0.000 0.260 439 G HA3 -0.268 3.730 3.960 0.063 0.000 0.260 439 G C 0.368 175.244 174.900 -0.039 0.000 0.976 439 G CA 0.031 45.120 45.100 -0.019 0.000 0.655 439 G HN 0.947 nan 8.290 nan 0.000 0.533 440 G N -0.604 108.148 108.800 -0.081 0.000 2.442 440 G HA2 0.497 4.495 3.960 0.063 0.000 0.249 440 G HA3 0.497 4.495 3.960 0.063 0.000 0.249 440 G C 1.164 176.012 174.900 -0.087 0.000 1.263 440 G CA -0.127 44.906 45.100 -0.111 0.000 0.846 440 G HN 0.394 nan 8.290 nan 0.000 0.555 441 I N 1.180 121.704 120.570 -0.076 0.000 2.546 441 I HA 0.061 4.269 4.170 0.063 0.000 0.255 441 I C 0.990 177.071 176.117 -0.061 0.000 1.163 441 I CA 0.975 62.242 61.300 -0.054 0.000 1.457 441 I CB -0.283 37.693 38.000 -0.041 0.000 1.092 441 I HN 0.494 nan 8.210 nan 0.000 0.434 442 I N -3.166 117.350 120.570 -0.090 0.000 2.969 442 I HA 0.449 4.657 4.170 0.063 0.000 0.307 442 I C -0.835 175.185 176.117 -0.161 0.000 1.149 442 I CA -1.029 60.217 61.300 -0.090 0.000 1.008 442 I CB 2.036 39.999 38.000 -0.061 0.000 1.232 442 I HN -0.252 nan 8.210 nan 0.000 0.435 443 K N 2.395 122.707 120.400 -0.146 0.000 2.098 443 K HA 0.579 4.937 4.320 0.063 0.000 0.258 443 K C -0.880 175.554 176.600 -0.276 0.000 0.973 443 K CA -0.870 55.285 56.287 -0.220 0.000 0.898 443 K CB 2.307 34.737 32.500 -0.116 0.000 1.057 443 K HN 0.441 nan 8.250 nan 0.000 0.447 444 V N 4.117 123.740 119.914 -0.486 0.000 2.521 444 V HA 0.066 4.224 4.120 0.063 0.000 0.286 444 V C -2.096 174.031 176.094 0.055 0.000 1.034 444 V CA -1.540 60.440 62.300 -0.532 0.000 1.045 444 V CB 0.478 31.726 31.823 -0.958 0.000 0.974 444 V HN 0.660 nan 8.190 nan 0.000 0.480 445 P HA 0.012 nan 4.420 nan 0.000 0.261 445 P C 0.921 178.498 177.300 0.460 0.000 1.173 445 P CA 0.238 63.537 63.100 0.331 0.000 0.760 445 P CB 0.363 32.284 31.700 0.367 0.000 0.783 446 R N 3.940 124.649 120.500 0.348 0.000 2.119 446 R HA -0.197 4.181 4.340 0.063 0.000 0.246 446 R C 1.870 178.324 176.300 0.256 0.000 1.146 446 R CA 1.596 57.869 56.100 0.287 0.000 0.962 446 R CB -0.569 29.836 30.300 0.175 0.000 0.863 446 R HN 0.496 nan 8.270 nan 0.000 0.442 447 I N 0.065 120.774 120.570 0.232 0.000 2.454 447 I HA -0.296 3.912 4.170 0.063 0.000 0.254 447 I C 1.244 177.497 176.117 0.227 0.000 1.156 447 I CA 1.311 62.740 61.300 0.214 0.000 1.433 447 I CB -0.052 37.959 38.000 0.018 0.000 1.082 447 I HN 0.309 nan 8.210 nan 0.000 0.432 448 Y N -0.795 119.675 120.300 0.283 0.000 2.483 448 Y HA -0.320 4.268 4.550 0.063 0.000 0.291 448 Y C 2.225 178.238 175.900 0.188 0.000 1.143 448 Y CA 1.469 59.739 58.100 0.283 0.000 1.289 448 Y CB -0.282 38.431 38.460 0.421 0.000 0.983 448 Y HN 0.333 nan 8.280 nan 0.000 0.556 449 Y N -0.763 119.512 120.300 -0.042 0.000 2.145 449 Y HA -0.342 4.246 4.550 0.063 0.000 0.286 449 Y C 1.655 177.384 175.900 -0.284 0.000 1.145 449 Y CA 1.635 59.442 58.100 -0.488 0.000 1.148 449 Y CB -0.764 36.934 38.460 -1.270 0.000 0.981 449 Y HN 0.111 nan 8.280 nan 0.000 0.507 450 Y N -1.119 119.244 120.300 0.106 0.000 2.293 450 Y HA -0.173 4.415 4.550 0.063 0.000 0.291 450 Y C 2.481 178.431 175.900 0.084 0.000 1.137 450 Y CA 1.342 59.545 58.100 0.172 0.000 1.202 450 Y CB -0.696 37.913 38.460 0.247 0.000 0.990 450 Y HN -0.019 nan 8.280 nan 0.000 0.537 451 V N -0.019 120.001 119.914 0.177 0.000 2.307 451 V HA -0.341 3.817 4.120 0.063 0.000 0.245 451 V C 2.190 178.274 176.094 -0.017 0.000 1.045 451 V CA 2.020 64.385 62.300 0.108 0.000 1.024 451 V CB -0.605 31.307 31.823 0.149 0.000 0.651 451 V HN 0.431 nan 8.190 nan 0.000 0.449 452 M N -0.686 118.816 119.600 -0.163 0.000 2.159 452 M HA -0.172 4.345 4.480 0.063 0.000 0.263 452 M C 2.443 178.382 176.300 -0.602 0.000 1.063 452 M CA 1.819 56.816 55.300 -0.506 0.000 1.110 452 M CB -0.429 31.578 32.600 -0.989 0.000 1.374 452 M HN 0.176 nan 8.290 nan 0.000 0.411 453 R N -0.667 119.492 120.500 -0.568 0.000 2.100 453 R HA -0.091 4.286 4.340 0.063 0.000 0.220 453 R C 1.234 177.351 176.300 -0.305 0.000 1.091 453 R CA 1.368 57.221 56.100 -0.412 0.000 0.986 453 R CB 0.270 30.070 30.300 -0.832 0.000 0.888 453 R HN 0.341 nan 8.270 nan 0.000 0.444 454 Y N -1.257 119.123 120.300 0.134 0.000 2.678 454 Y HA 0.164 4.752 4.550 0.063 0.000 0.274 454 Y C 1.956 177.943 175.900 0.145 0.000 1.114 454 Y CA -0.406 57.802 58.100 0.180 0.000 1.274 454 Y CB -0.059 38.485 38.460 0.140 0.000 1.438 454 Y HN -0.151 nan 8.280 nan 0.000 0.493 455 I N 0.431 121.147 120.570 0.244 0.000 2.090 455 I HA -0.232 3.976 4.170 0.063 0.000 0.236 455 I C 2.066 178.264 176.117 0.134 0.000 1.064 455 I CA 1.893 63.286 61.300 0.154 0.000 1.324 455 I CB -1.716 36.331 38.000 0.078 0.000 1.044 455 I HN 0.214 nan 8.210 nan 0.000 0.399 456 T N 2.821 117.413 114.554 0.064 0.000 2.624 456 T HA -0.114 4.274 4.350 0.063 0.000 0.268 456 T C -0.287 174.484 174.700 0.118 0.000 1.041 456 T CA 2.223 64.363 62.100 0.066 0.000 1.159 456 T CB -1.640 67.209 68.868 -0.031 0.000 0.863 456 T HN 0.336 nan 8.240 nan 0.000 0.434 457 P HA -0.022 nan 4.420 nan 0.000 0.217 457 P C 1.452 178.815 177.300 0.106 0.000 1.150 457 P CA 1.517 64.602 63.100 -0.025 0.000 0.832 457 P CB -0.174 31.398 31.700 -0.213 0.000 0.787 458 A N -0.614 122.322 122.820 0.194 0.000 1.898 458 A HA -0.161 4.197 4.320 0.063 0.000 0.216 458 A C 2.158 179.856 177.584 0.190 0.000 1.181 458 A CA 1.129 53.285 52.037 0.198 0.000 0.620 458 A CB -1.792 17.334 19.000 0.211 0.000 0.819 458 A HN 0.099 nan 8.150 nan 0.000 0.442 459 F N 0.714 120.699 119.950 0.057 0.000 2.075 459 F HA -0.140 4.425 4.527 0.062 0.000 0.297 459 F C 1.946 177.791 175.800 0.076 0.000 1.113 459 F CA 1.816 59.842 58.000 0.043 0.000 1.218 459 F CB -0.270 38.758 39.000 0.048 0.000 0.984 459 F HN 0.131 nan 8.300 nan 0.000 0.472 460 L N -0.506 120.839 121.223 0.204 0.000 2.141 460 L HA -0.129 4.249 4.340 0.063 0.000 0.209 460 L C 2.699 179.608 176.870 0.064 0.000 1.094 460 L CA 0.929 55.845 54.840 0.128 0.000 0.763 460 L CB -1.203 40.972 42.059 0.194 0.000 0.908 460 L HN 0.224 nan 8.230 nan 0.000 0.437 461 A N -0.108 122.752 122.820 0.067 0.000 1.898 461 A HA -0.118 4.240 4.320 0.063 0.000 0.216 461 A C 2.334 179.951 177.584 0.055 0.000 1.181 461 A CA 1.546 53.625 52.037 0.069 0.000 0.620 461 A CB -0.689 18.364 19.000 0.089 0.000 0.819 461 A HN 0.174 nan 8.150 nan 0.000 0.442 462 V N -0.316 119.606 119.914 0.014 0.000 2.358 462 V HA -0.214 3.943 4.120 0.063 0.000 0.246 462 V C 2.478 178.556 176.094 -0.026 0.000 1.047 462 V CA 1.849 64.139 62.300 -0.017 0.000 1.035 462 V CB -0.794 30.986 31.823 -0.072 0.000 0.658 462 V HN 0.577 nan 8.190 nan 0.000 0.452 463 L N -0.280 120.891 121.223 -0.087 0.000 1.989 463 L HA -0.180 4.198 4.340 0.063 0.000 0.211 463 L C 2.244 179.221 176.870 0.179 0.000 1.071 463 L CA 1.980 56.800 54.840 -0.032 0.000 0.749 463 L CB -0.482 41.526 42.059 -0.085 0.000 0.890 463 L HN 0.195 nan 8.230 nan 0.000 0.431 464 L N -1.773 119.562 121.223 0.186 0.000 2.083 464 L HA -0.223 4.155 4.340 0.063 0.000 0.209 464 L C 2.369 179.364 176.870 0.209 0.000 1.083 464 L CA 0.988 55.961 54.840 0.222 0.000 0.752 464 L CB -0.569 41.569 42.059 0.132 0.000 0.899 464 L HN 0.162 nan 8.230 nan 0.000 0.433 465 V N -0.902 119.104 119.914 0.154 0.000 2.270 465 V HA -0.237 3.921 4.120 0.063 0.000 0.245 465 V C 2.402 178.599 176.094 0.171 0.000 1.043 465 V CA 1.520 63.902 62.300 0.137 0.000 1.014 465 V CB -0.239 31.642 31.823 0.095 0.000 0.645 465 V HN 0.172 nan 8.190 nan 0.000 0.447 466 V N -1.097 118.919 119.914 0.170 0.000 2.332 466 V HA -0.281 3.877 4.120 0.063 0.000 0.248 466 V C 2.147 178.443 176.094 0.337 0.000 1.055 466 V CA 2.184 64.600 62.300 0.194 0.000 1.038 466 V CB -0.732 31.177 31.823 0.143 0.000 0.651 466 V HN 0.727 nan 8.190 nan 0.000 0.450 467 W N 1.040 122.441 121.300 0.169 0.000 2.315 467 W HA -0.249 4.448 4.660 0.062 0.000 0.323 467 W C 2.578 179.221 176.519 0.206 0.000 1.233 467 W CA 2.369 59.846 57.345 0.220 0.000 1.267 467 W CB -0.933 28.587 29.460 0.101 0.000 1.160 467 W HN 0.274 nan 8.180 nan 0.000 0.474 468 A N 0.220 123.279 122.820 0.397 0.000 2.178 468 A HA -0.139 4.218 4.320 0.063 0.000 0.218 468 A C 2.079 179.779 177.584 0.192 0.000 1.157 468 A CA 1.506 53.679 52.037 0.226 0.000 0.689 468 A CB -0.476 18.602 19.000 0.131 0.000 0.787 468 A HN 0.422 nan 8.150 nan 0.000 0.465 469 R N -1.347 119.269 120.500 0.194 0.000 2.103 469 R HA 0.099 4.476 4.340 0.063 0.000 0.212 469 R C 1.086 177.420 176.300 0.057 0.000 1.107 469 R CA 0.826 56.995 56.100 0.114 0.000 1.025 469 R CB 0.058 30.414 30.300 0.092 0.000 0.929 469 R HN 0.332 nan 8.270 nan 0.000 0.456 470 E N -0.762 119.453 120.200 0.025 0.000 2.489 470 E HA 0.073 4.461 4.350 0.063 0.000 0.204 470 E C 0.506 176.826 176.600 -0.467 0.000 1.006 470 E CA 0.493 56.747 56.400 -0.244 0.000 0.936 470 E CB 0.721 30.179 29.700 -0.403 0.000 1.002 470 E HN 0.368 nan 8.360 nan 0.000 0.488 471 Y N -0.877 119.516 120.300 0.155 0.000 2.652 471 Y HA 0.270 4.858 4.550 0.063 0.000 0.275 471 Y C 2.054 178.065 175.900 0.184 0.000 1.133 471 Y CA -0.086 58.114 58.100 0.167 0.000 1.246 471 Y CB 0.403 38.968 38.460 0.174 0.000 1.334 471 Y HN -0.121 nan 8.280 nan 0.000 0.493 472 I N 1.849 122.649 120.570 0.382 0.000 2.500 472 I HA -0.086 4.121 4.170 0.063 0.000 0.252 472 I C -0.692 175.496 176.117 0.119 0.000 1.142 472 I CA 0.374 61.805 61.300 0.219 0.000 1.451 472 I CB -1.231 36.903 38.000 0.223 0.000 1.093 472 I HN 0.091 nan 8.210 nan 0.000 0.430 473 P HA -0.186 nan 4.420 nan 0.000 0.218 473 P C 1.179 178.515 177.300 0.059 0.000 1.148 473 P CA 1.545 64.698 63.100 0.088 0.000 0.822 473 P CB -0.076 31.666 31.700 0.070 0.000 0.784 474 K N -0.133 120.289 120.400 0.036 0.000 2.155 474 K HA 0.026 4.384 4.320 0.063 0.000 0.203 474 K C 1.962 178.554 176.600 -0.013 0.000 1.052 474 K CA 0.964 57.259 56.287 0.013 0.000 0.948 474 K CB -0.326 32.177 32.500 0.004 0.000 0.728 474 K HN 0.220 nan 8.250 nan 0.000 0.448 475 I N 0.745 121.280 120.570 -0.058 0.000 3.749 475 I HA -0.006 4.202 4.170 0.063 0.000 0.314 475 I C 1.265 177.341 176.117 -0.068 0.000 1.267 475 I CA 0.272 61.477 61.300 -0.160 0.000 1.169 475 I CB 0.075 37.802 38.000 -0.454 0.000 1.009 475 I HN 0.159 nan 8.210 nan 0.000 0.444 476 M N -0.762 118.856 119.600 0.030 0.000 2.249 476 M HA 0.145 4.663 4.480 0.063 0.000 0.318 476 M C 1.387 177.765 176.300 0.129 0.000 0.930 476 M CA 0.659 56.020 55.300 0.101 0.000 1.080 476 M CB 0.373 33.071 32.600 0.164 0.000 1.797 476 M HN 0.168 nan 8.290 nan 0.000 0.619 477 E N 0.100 120.357 120.200 0.095 0.000 2.676 477 E HA 0.061 4.449 4.350 0.063 0.000 0.225 477 E C 0.189 176.838 176.600 0.081 0.000 0.944 477 E CA 0.247 56.711 56.400 0.105 0.000 1.156 477 E CB 1.057 30.811 29.700 0.091 0.000 1.117 477 E HN 0.063 nan 8.360 nan 0.000 0.523 478 E N 1.100 121.333 120.200 0.055 0.000 2.887 478 E HA 0.107 4.495 4.350 0.063 0.000 0.206 478 E C -0.437 176.186 176.600 0.039 0.000 0.983 478 E CA 0.127 56.553 56.400 0.044 0.000 1.141 478 E CB 1.321 31.035 29.700 0.023 0.000 1.061 478 E HN 0.193 nan 8.360 nan 0.000 0.468 479 T N -2.844 111.741 114.554 0.052 0.000 2.932 479 T HA 0.319 4.707 4.350 0.063 0.000 0.289 479 T C 0.173 174.943 174.700 0.116 0.000 1.039 479 T CA -0.731 61.399 62.100 0.050 0.000 1.024 479 T CB 2.195 71.057 68.868 -0.010 0.000 1.090 479 T HN 0.087 nan 8.240 nan 0.000 0.496 480 H N 1.380 120.450 119.070 0.000 0.000 2.852 480 H HA -0.008 4.585 4.556 0.063 0.000 0.362 480 H C 1.138 176.495 175.328 0.049 0.000 1.122 480 H CA 0.109 56.155 56.048 -0.003 0.000 1.419 480 H CB 0.564 30.248 29.762 -0.130 0.000 1.401 480 H HN 0.931 nan 8.280 nan 0.000 0.609 481 W N 3.959 125.046 121.300 -0.354 0.000 2.364 481 W HA -0.172 4.526 4.660 0.064 0.000 0.281 481 W C 1.200 177.782 176.519 0.104 0.000 1.219 481 W CA 1.279 58.591 57.345 -0.055 0.000 1.220 481 W CB -1.154 28.219 29.460 -0.145 0.000 1.127 481 W HN 0.563 nan 8.180 nan 0.000 0.556 482 T N 0.277 114.438 114.554 -0.656 0.000 3.025 482 T HA -0.161 4.226 4.350 0.063 0.000 0.270 482 T C 1.891 176.563 174.700 -0.047 0.000 1.126 482 T CA 1.616 63.428 62.100 -0.480 0.000 1.105 482 T CB -1.006 67.550 68.868 -0.519 0.000 0.884 482 T HN 0.215 nan 8.240 nan 0.000 0.522 483 V N -2.836 117.078 119.914 0.001 0.000 2.626 483 V HA 0.035 4.193 4.120 0.063 0.000 0.252 483 V C 2.138 178.236 176.094 0.006 0.000 1.067 483 V CA 0.551 62.838 62.300 -0.021 0.000 1.081 483 V CB -1.418 30.340 31.823 -0.109 0.000 0.686 483 V HN 0.620 nan 8.190 nan 0.000 0.468 484 W N 0.210 121.609 121.300 0.164 0.000 2.525 484 W HA 0.194 4.892 4.660 0.063 0.000 0.259 484 W C 2.238 178.893 176.519 0.226 0.000 1.253 484 W CA 0.752 58.210 57.345 0.188 0.000 1.262 484 W CB -0.236 29.335 29.460 0.184 0.000 1.122 484 W HN 0.224 nan 8.180 nan 0.000 0.607 485 I N -0.657 120.153 120.570 0.400 0.000 2.286 485 I HA -0.249 3.959 4.170 0.063 0.000 0.245 485 I C 2.234 178.582 176.117 0.385 0.000 1.104 485 I CA 1.318 62.834 61.300 0.360 0.000 1.397 485 I CB -0.902 37.237 38.000 0.232 0.000 1.072 485 I HN -0.169 nan 8.210 nan 0.000 0.417 486 T N 0.523 115.243 114.554 0.277 0.000 2.737 486 T HA -0.101 4.287 4.350 0.063 0.000 0.265 486 T C 2.031 176.914 174.700 0.305 0.000 1.038 486 T CA 1.116 63.380 62.100 0.273 0.000 1.144 486 T CB -0.206 68.777 68.868 0.191 0.000 0.866 486 T HN 0.264 nan 8.240 nan 0.000 0.434 487 R N 0.171 120.811 120.500 0.233 0.000 2.091 487 R HA -0.059 4.319 4.340 0.063 0.000 0.238 487 R C 2.216 178.672 176.300 0.260 0.000 1.136 487 R CA 1.502 57.682 56.100 0.132 0.000 0.959 487 R CB -0.606 29.660 30.300 -0.057 0.000 0.856 487 R HN 0.355 nan 8.270 nan 0.000 0.437 488 F N 0.595 120.694 119.950 0.248 0.000 2.069 488 F HA -0.294 4.271 4.527 0.063 0.000 0.298 488 F C 2.213 178.138 175.800 0.209 0.000 1.113 488 F CA 1.475 59.612 58.000 0.229 0.000 1.214 488 F CB -0.666 38.486 39.000 0.253 0.000 0.978 488 F HN -0.028 nan 8.300 nan 0.000 0.474 489 Y N 1.506 121.884 120.300 0.130 0.000 2.181 489 Y HA -0.210 4.378 4.550 0.063 0.000 0.288 489 Y C 2.314 178.259 175.900 0.076 0.000 1.146 489 Y CA 2.349 60.462 58.100 0.021 0.000 1.164 489 Y CB -0.673 37.878 38.460 0.152 0.000 0.982 489 Y HN 0.298 nan 8.280 nan 0.000 0.515 490 I N -2.347 118.331 120.570 0.179 0.000 2.546 490 I HA -0.148 4.059 4.170 0.063 0.000 0.255 490 I C 1.961 178.273 176.117 0.324 0.000 1.163 490 I CA 1.365 62.843 61.300 0.297 0.000 1.457 490 I CB -0.609 37.664 38.000 0.456 0.000 1.092 490 I HN 0.157 nan 8.210 nan 0.000 0.434 491 I N 2.242 122.852 120.570 0.066 0.000 2.353 491 I HA -0.098 4.110 4.170 0.063 0.000 0.248 491 I C 2.749 178.802 176.117 -0.105 0.000 1.119 491 I CA 1.405 62.656 61.300 -0.081 0.000 1.417 491 I CB -0.681 37.252 38.000 -0.111 0.000 1.078 491 I HN 0.356 nan 8.210 nan 0.000 0.421 492 G N 0.951 109.609 108.800 -0.237 0.000 2.422 492 G HA2 -0.166 3.832 3.960 0.063 0.000 0.218 492 G HA3 -0.166 3.832 3.960 0.063 0.000 0.218 492 G C 1.711 176.533 174.900 -0.129 0.000 1.140 492 G CA 0.344 45.277 45.100 -0.278 0.000 0.775 492 G HN 0.252 nan 8.290 nan 0.000 0.545 493 L N -0.903 120.265 121.223 -0.091 0.000 2.093 493 L HA 0.038 4.416 4.340 0.063 0.000 0.208 493 L C 2.510 179.524 176.870 0.240 0.000 1.085 493 L CA 0.750 55.662 54.840 0.119 0.000 0.755 493 L CB -0.335 41.837 42.059 0.187 0.000 0.904 493 L HN 0.251 nan 8.230 nan 0.000 0.435 494 F N 0.523 120.449 119.950 -0.040 0.000 2.146 494 F HA -0.200 4.365 4.527 0.063 0.000 0.298 494 F C 2.186 177.831 175.800 -0.258 0.000 1.096 494 F CA 1.424 59.204 58.000 -0.367 0.000 1.275 494 F CB -0.014 38.479 39.000 -0.845 0.000 1.008 494 F HN -0.119 nan 8.300 nan 0.000 0.480 495 L N -1.044 120.181 121.223 0.003 0.000 2.093 495 L HA -0.197 4.181 4.340 0.063 0.000 0.208 495 L C 2.385 179.235 176.870 -0.032 0.000 1.085 495 L CA 1.214 56.032 54.840 -0.037 0.000 0.755 495 L CB -0.949 41.093 42.059 -0.029 0.000 0.904 495 L HN 0.237 nan 8.230 nan 0.000 0.435 496 F N 1.005 120.884 119.950 -0.119 0.000 2.102 496 F HA -0.205 4.360 4.527 0.062 0.000 0.298 496 F C 2.126 177.888 175.800 -0.064 0.000 1.105 496 F CA 1.526 59.492 58.000 -0.056 0.000 1.239 496 F CB -0.344 38.617 39.000 -0.065 0.000 0.991 496 F HN -0.133 nan 8.300 nan 0.000 0.474 497 L N -0.347 120.605 121.223 -0.452 0.000 2.093 497 L HA -0.199 4.179 4.340 0.063 0.000 0.208 497 L C 2.323 178.838 176.870 -0.592 0.000 1.085 497 L CA 1.674 56.115 54.840 -0.665 0.000 0.755 497 L CB -1.184 40.547 42.059 -0.546 0.000 0.904 497 L HN 0.159 nan 8.230 nan 0.000 0.435 498 T N -0.323 113.920 114.554 -0.519 0.000 2.788 498 T HA -0.199 4.188 4.350 0.063 0.000 0.268 498 T C 1.598 176.203 174.700 -0.160 0.000 1.044 498 T CA 1.237 63.102 62.100 -0.391 0.000 1.139 498 T CB -0.307 68.355 68.868 -0.343 0.000 0.867 498 T HN 0.198 nan 8.240 nan 0.000 0.454 499 F N 1.774 121.564 119.950 -0.267 0.000 2.146 499 F HA 0.070 4.634 4.527 0.063 0.000 0.298 499 F C 1.850 177.596 175.800 -0.091 0.000 1.096 499 F CA 0.786 58.693 58.000 -0.156 0.000 1.275 499 F CB -0.524 38.386 39.000 -0.150 0.000 1.008 499 F HN 0.060 nan 8.300 nan 0.000 0.480 500 L N -0.920 120.099 121.223 -0.340 0.000 2.093 500 L HA -0.198 4.179 4.340 0.063 0.000 0.208 500 L C 2.375 179.201 176.870 -0.074 0.000 1.085 500 L CA 0.948 55.611 54.840 -0.295 0.000 0.755 500 L CB -0.976 40.896 42.059 -0.313 0.000 0.904 500 L HN -0.020 nan 8.230 nan 0.000 0.435 501 V N -0.198 119.659 119.914 -0.095 0.000 2.407 501 V HA -0.319 3.839 4.120 0.063 0.000 0.248 501 V C 2.258 178.310 176.094 -0.070 0.000 1.055 501 V CA 1.959 64.251 62.300 -0.012 0.000 1.049 501 V CB -0.620 31.113 31.823 -0.150 0.000 0.662 501 V HN 0.363 nan 8.190 nan 0.000 0.455 502 F N 0.353 120.161 119.950 -0.236 0.000 2.134 502 F HA -0.157 4.407 4.527 0.063 0.000 0.299 502 F C 2.029 177.662 175.800 -0.279 0.000 1.097 502 F CA 1.686 59.546 58.000 -0.234 0.000 1.264 502 F CB -0.172 38.703 39.000 -0.207 0.000 1.001 502 F HN 0.027 nan 8.300 nan 0.000 0.479 503 L N -0.057 120.978 121.223 -0.313 0.000 2.141 503 L HA -0.144 4.233 4.340 0.063 0.000 0.209 503 L C 2.768 179.440 176.870 -0.330 0.000 1.094 503 L CA 0.976 55.583 54.840 -0.388 0.000 0.763 503 L CB -1.153 40.661 42.059 -0.408 0.000 0.908 503 L HN 0.273 nan 8.230 nan 0.000 0.437 504 A N 0.086 122.750 122.820 -0.259 0.000 1.969 504 A HA -0.184 4.174 4.320 0.063 0.000 0.218 504 A C 2.136 179.574 177.584 -0.244 0.000 1.169 504 A CA 1.372 53.266 52.037 -0.239 0.000 0.635 504 A CB -0.277 18.599 19.000 -0.206 0.000 0.810 504 A HN 0.457 nan 8.150 nan 0.000 0.445 505 E N -0.504 119.518 120.200 -0.298 0.000 2.047 505 E HA -0.149 4.239 4.350 0.063 0.000 0.191 505 E C 2.216 178.630 176.600 -0.310 0.000 0.987 505 E CA 0.859 57.073 56.400 -0.311 0.000 0.799 505 E CB -0.178 29.296 29.700 -0.377 0.000 0.752 505 E HN 0.288 nan 8.360 nan 0.000 0.449 506 R N 0.823 121.065 120.500 -0.429 0.000 2.120 506 R HA -0.067 4.310 4.340 0.063 0.000 0.234 506 R C 2.201 178.388 176.300 -0.189 0.000 1.123 506 R CA 0.927 56.824 56.100 -0.338 0.000 0.975 506 R CB -0.535 29.503 30.300 -0.436 0.000 0.866 506 R HN 0.170 nan 8.270 nan 0.000 0.446 507 R N 1.320 121.700 120.500 -0.201 0.000 2.066 507 R HA -0.092 4.286 4.340 0.063 0.000 0.232 507 R C 2.413 178.666 176.300 -0.078 0.000 1.131 507 R CA 1.550 57.565 56.100 -0.143 0.000 0.955 507 R CB -0.096 30.100 30.300 -0.172 0.000 0.851 507 R HN 0.221 nan 8.270 nan 0.000 0.432 508 R N 0.070 120.510 120.500 -0.100 0.000 2.096 508 R HA -0.083 4.294 4.340 0.063 0.000 0.235 508 R C 1.468 177.746 176.300 -0.036 0.000 1.127 508 R CA 2.000 58.064 56.100 -0.059 0.000 0.968 508 R CB -0.749 29.511 30.300 -0.066 0.000 0.861 508 R HN 0.354 nan 8.270 nan 0.000 0.440 509 N N 0.193 118.859 118.700 -0.057 0.000 2.084 509 N HA -0.218 4.560 4.740 0.063 0.000 0.190 509 N C 1.974 177.474 175.510 -0.017 0.000 1.030 509 N CA 1.187 54.210 53.050 -0.046 0.000 0.849 509 N CB -0.332 38.111 38.487 -0.074 0.000 1.012 509 N HN 0.316 nan 8.380 nan 0.000 0.423 510 H N 1.584 120.604 119.070 -0.084 0.000 2.387 510 H HA -0.062 4.532 4.556 0.063 0.000 0.299 510 H C 1.333 176.628 175.328 -0.054 0.000 1.090 510 H CA 1.288 57.296 56.048 -0.066 0.000 1.332 510 H CB 0.263 29.982 29.762 -0.073 0.000 1.386 510 H HN 0.238 nan 8.280 nan 0.000 0.516 511 E N 0.273 120.548 120.200 0.125 0.000 2.106 511 E HA -0.065 4.323 4.350 0.063 0.000 0.192 511 E C 2.331 178.927 176.600 -0.007 0.000 0.984 511 E CA 0.689 57.133 56.400 0.072 0.000 0.806 511 E CB -0.175 29.546 29.700 0.036 0.000 0.750 511 E HN 0.357 nan 8.360 nan 0.000 0.458 512 S N 0.681 116.367 115.700 -0.023 0.000 2.481 512 S HA 0.006 4.514 4.470 0.063 0.000 0.231 512 S C 1.848 176.415 174.600 -0.055 0.000 0.996 512 S CA 0.715 58.896 58.200 -0.031 0.000 0.942 512 S CB 0.099 63.286 63.200 -0.021 0.000 0.768 512 S HN 0.356 nan 8.310 nan 0.000 0.520 513 A N 1.151 123.910 122.820 -0.102 0.000 1.943 513 A HA 0.360 4.718 4.320 0.063 0.000 0.213 513 A C 2.144 179.653 177.584 -0.126 0.000 1.181 513 A CA 0.901 52.860 52.037 -0.130 0.000 0.653 513 A CB -0.840 18.039 19.000 -0.202 0.000 0.833 513 A HN 0.480 nan 8.150 nan 0.000 0.451 514 G N -0.285 108.434 108.800 -0.136 0.000 2.744 514 G HA2 0.244 4.242 3.960 0.063 0.000 0.211 514 G HA3 0.244 4.242 3.960 0.063 0.000 0.211 514 G C 0.842 175.716 174.900 -0.043 0.000 1.143 514 G CA 1.301 46.350 45.100 -0.084 0.000 0.788 514 G HN 0.678 nan 8.290 nan 0.000 0.534 515 T N 0.000 114.530 114.554 -0.040 0.000 3.816 515 T HA 0.000 4.388 4.350 0.063 0.000 0.228 515 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 515 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658