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 3mpn_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 TMXINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.050 176.300 -0.417 0.000 0.893 5 R CA 0.000 55.955 56.100 -0.242 0.000 0.921 5 R CB 0.000 30.134 30.300 -0.277 0.000 0.687 6 E N 2.545 122.536 120.200 -0.348 0.000 2.418 6 E HA 0.061 4.414 4.350 0.005 0.000 0.261 6 E C -0.576 175.650 176.600 -0.623 0.000 1.070 6 E CA 0.321 56.462 56.400 -0.432 0.000 0.931 6 E CB 0.506 29.894 29.700 -0.520 0.000 0.954 6 E HN 0.315 nan 8.360 nan 0.000 0.439 7 H N 0.417 119.369 119.070 -0.196 0.000 2.961 7 H HA 0.139 4.698 4.556 0.004 0.000 0.371 7 H C -0.967 174.228 175.328 -0.222 0.000 1.190 7 H CA -0.827 55.132 56.048 -0.148 0.000 1.138 7 H CB 0.500 30.260 29.762 -0.004 0.000 1.816 7 H HN 0.487 nan 8.280 nan 0.000 0.551 8 W N 1.357 122.742 121.300 0.142 0.000 2.264 8 W HA 0.286 4.949 4.660 0.005 0.000 0.331 8 W C 1.362 177.911 176.519 0.051 0.000 1.364 8 W CA 0.042 57.413 57.345 0.043 0.000 1.253 8 W CB 0.456 29.943 29.460 0.045 0.000 1.215 8 W HN 0.770 nan 8.180 nan 0.000 0.561 9 A N 2.610 125.569 122.820 0.231 0.000 1.858 9 A HA -0.057 4.266 4.320 0.005 0.000 0.216 9 A C 1.117 178.784 177.584 0.137 0.000 1.190 9 A CA 1.890 54.011 52.037 0.140 0.000 0.617 9 A CB -0.878 18.175 19.000 0.089 0.000 0.827 9 A HN 0.573 nan 8.150 nan 0.000 0.443 10 T N -5.130 109.511 114.554 0.147 0.000 2.907 10 T HA 0.564 4.916 4.350 0.005 0.000 0.292 10 T C 0.373 175.126 174.700 0.087 0.000 1.043 10 T CA -0.437 61.720 62.100 0.095 0.000 1.003 10 T CB 1.967 70.872 68.868 0.062 0.000 1.084 10 T HN 0.150 nan 8.240 nan 0.000 0.483 11 R N 0.351 120.885 120.500 0.057 0.000 2.091 11 R HA -0.004 4.339 4.340 0.005 0.000 0.238 11 R C 2.023 178.325 176.300 0.003 0.000 1.136 11 R CA 1.673 57.794 56.100 0.035 0.000 0.959 11 R CB -1.336 28.980 30.300 0.028 0.000 0.856 11 R HN 0.668 nan 8.270 nan 0.000 0.437 12 L N -0.325 120.901 121.223 0.004 0.000 2.056 12 L HA 0.108 4.451 4.340 0.005 0.000 0.207 12 L C 2.065 178.917 176.870 -0.030 0.000 1.078 12 L CA 2.344 57.177 54.840 -0.013 0.000 0.749 12 L CB -1.095 40.959 42.059 -0.008 0.000 0.901 12 L HN 0.293 nan 8.230 nan 0.000 0.433 13 G N -0.489 108.307 108.800 -0.008 0.000 2.408 13 G HA2 -0.256 3.707 3.960 0.005 0.000 0.217 13 G HA3 -0.256 3.707 3.960 0.005 0.000 0.217 13 G C 1.555 176.376 174.900 -0.132 0.000 1.150 13 G CA 0.844 45.940 45.100 -0.007 0.000 0.776 13 G HN 0.409 nan 8.290 nan 0.000 0.542 14 L N 0.991 122.094 121.223 -0.200 0.000 1.989 14 L HA -0.046 4.297 4.340 0.005 0.000 0.211 14 L C 2.567 179.195 176.870 -0.402 0.000 1.071 14 L CA 1.582 56.074 54.840 -0.581 0.000 0.749 14 L CB -0.388 41.443 42.059 -0.379 0.000 0.890 14 L HN 0.175 nan 8.230 nan 0.000 0.431 15 I N -0.993 119.492 120.570 -0.141 0.000 2.353 15 I HA -0.251 3.922 4.170 0.005 0.000 0.248 15 I C 2.479 178.565 176.117 -0.051 0.000 1.119 15 I CA 1.197 62.479 61.300 -0.030 0.000 1.417 15 I CB -0.623 37.374 38.000 -0.006 0.000 1.078 15 I HN 0.338 nan 8.210 nan 0.000 0.421 16 L N 0.608 121.784 121.223 -0.079 0.000 2.131 16 L HA -0.071 4.271 4.340 0.005 0.000 0.206 16 L C 2.904 179.741 176.870 -0.054 0.000 1.087 16 L CA 0.943 55.749 54.840 -0.057 0.000 0.767 16 L CB -0.664 41.364 42.059 -0.052 0.000 0.917 16 L HN 0.147 nan 8.230 nan 0.000 0.441 17 A N 0.090 122.839 122.820 -0.118 0.000 1.892 17 A HA -0.247 4.076 4.320 0.005 0.000 0.218 17 A C 2.337 179.968 177.584 0.079 0.000 1.188 17 A CA 1.757 53.761 52.037 -0.056 0.000 0.631 17 A CB -0.411 18.377 19.000 -0.354 0.000 0.822 17 A HN 0.276 nan 8.150 nan 0.000 0.447 18 M N -0.792 118.780 119.600 -0.047 0.000 2.175 18 M HA -0.084 4.399 4.480 0.005 0.000 0.264 18 M C 2.531 178.847 176.300 0.027 0.000 1.063 18 M CA 1.479 56.792 55.300 0.023 0.000 1.119 18 M CB -1.232 31.385 32.600 0.027 0.000 1.377 18 M HN 0.510 nan 8.290 nan 0.000 0.415 19 A N 0.168 123.005 122.820 0.029 0.000 1.972 19 A HA -0.018 4.305 4.320 0.005 0.000 0.219 19 A C 2.363 179.957 177.584 0.017 0.000 1.169 19 A CA 1.932 53.984 52.037 0.025 0.000 0.635 19 A CB -1.234 17.774 19.000 0.015 0.000 0.810 19 A HN 0.528 nan 8.150 nan 0.000 0.446 20 G N -0.175 108.638 108.800 0.021 0.000 2.430 20 G HA2 -0.211 3.752 3.960 0.005 0.000 0.216 20 G HA3 -0.211 3.752 3.960 0.005 0.000 0.216 20 G C 1.508 176.402 174.900 -0.009 0.000 1.146 20 G CA 0.961 46.076 45.100 0.025 0.000 0.793 20 G HN 0.538 nan 8.290 nan 0.000 0.537 21 N N 1.894 120.572 118.700 -0.038 0.000 2.021 21 N HA -0.182 4.560 4.740 0.005 0.000 0.198 21 N C 2.391 177.780 175.510 -0.203 0.000 1.041 21 N CA 2.174 55.096 53.050 -0.212 0.000 0.862 21 N CB -0.556 37.690 38.487 -0.402 0.000 1.048 21 N HN 0.242 nan 8.380 nan 0.000 0.427 22 A N 0.980 123.727 122.820 -0.122 0.000 1.872 22 A HA 0.101 4.423 4.320 0.005 0.000 0.214 22 A C 1.029 178.593 177.584 -0.034 0.000 1.187 22 A CA 0.625 52.608 52.037 -0.091 0.000 0.614 22 A CB -0.566 18.415 19.000 -0.031 0.000 0.826 22 A HN 0.113 nan 8.150 nan 0.000 0.442 23 V N 0.770 120.690 119.914 0.010 0.000 2.415 23 V HA 0.527 4.650 4.120 0.005 0.000 0.267 23 V C 0.756 176.923 176.094 0.123 0.000 1.042 23 V CA 0.440 62.780 62.300 0.067 0.000 1.000 23 V CB -0.098 31.785 31.823 0.100 0.000 1.015 23 V HN 0.639 nan 8.190 nan 0.000 0.478 24 G N 2.957 111.864 108.800 0.178 0.000 2.753 24 G HA2 0.422 4.384 3.960 0.005 0.000 0.303 24 G HA3 0.422 4.384 3.960 0.005 0.000 0.303 24 G C 0.251 175.347 174.900 0.327 0.000 1.242 24 G CA -0.834 44.416 45.100 0.250 0.000 0.810 24 G HN 0.458 nan 8.290 nan 0.000 0.515 25 L N 0.929 122.339 121.223 0.313 0.000 2.261 25 L HA -0.008 4.335 4.340 0.005 0.000 0.216 25 L C 2.946 180.000 176.870 0.306 0.000 1.114 25 L CA 1.342 56.317 54.840 0.224 0.000 0.777 25 L CB -0.605 41.445 42.059 -0.014 0.000 0.910 25 L HN 0.657 nan 8.230 nan 0.000 0.440 26 G N 0.444 109.519 108.800 0.459 0.000 2.442 26 G HA2 -0.275 3.687 3.960 0.005 0.000 0.219 26 G HA3 -0.275 3.687 3.960 0.005 0.000 0.219 26 G C 1.320 176.364 174.900 0.240 0.000 1.141 26 G CA 1.047 46.421 45.100 0.457 0.000 0.763 26 G HN 0.403 nan 8.290 nan 0.000 0.554 27 N N -0.079 118.680 118.700 0.098 0.000 2.216 27 N HA 0.039 4.782 4.740 0.005 0.000 0.183 27 N C 1.538 176.862 175.510 -0.310 0.000 1.017 27 N CA 0.867 53.783 53.050 -0.223 0.000 0.861 27 N CB -0.232 37.913 38.487 -0.571 0.000 0.986 27 N HN 0.374 nan 8.380 nan 0.000 0.428 28 F N -0.518 119.510 119.950 0.129 0.000 2.582 28 F HA 0.340 4.870 4.527 0.004 0.000 0.290 28 F C 1.657 177.569 175.800 0.187 0.000 1.115 28 F CA 0.259 58.346 58.000 0.144 0.000 1.445 28 F CB 0.194 39.187 39.000 -0.011 0.000 1.126 28 F HN -0.066 nan 8.300 nan 0.000 0.574 29 L N -1.525 119.855 121.223 0.263 0.000 2.519 29 L HA 0.178 4.521 4.340 0.005 0.000 0.194 29 L C 2.417 179.336 176.870 0.082 0.000 1.072 29 L CA 0.284 55.236 54.840 0.186 0.000 0.845 29 L CB -0.305 41.858 42.059 0.173 0.000 1.138 29 L HN -0.163 nan 8.230 nan 0.000 0.487 30 R N 0.084 120.622 120.500 0.064 0.000 2.055 30 R HA -0.156 4.187 4.340 0.005 0.000 0.228 30 R C 2.381 178.668 176.300 -0.021 0.000 1.143 30 R CA 1.698 57.778 56.100 -0.034 0.000 0.945 30 R CB -0.372 29.867 30.300 -0.102 0.000 0.841 30 R HN 0.093 nan 8.270 nan 0.000 0.429 31 F N 2.067 121.980 119.950 -0.063 0.000 2.063 31 F HA -0.184 4.346 4.527 0.004 0.000 0.298 31 F C -1.150 174.514 175.800 -0.228 0.000 1.109 31 F CA 1.786 59.713 58.000 -0.122 0.000 1.212 31 F CB -1.099 37.838 39.000 -0.104 0.000 0.973 31 F HN 0.080 nan 8.300 nan 0.000 0.480 32 P HA -0.155 nan 4.420 nan 0.000 0.216 32 P C 2.133 179.198 177.300 -0.392 0.000 1.150 32 P CA 1.765 64.665 63.100 -0.333 0.000 0.837 32 P CB -0.068 31.608 31.700 -0.040 0.000 0.786 33 V N -0.252 119.492 119.914 -0.284 0.000 2.358 33 V HA -0.221 3.901 4.120 0.005 0.000 0.246 33 V C 2.507 178.374 176.094 -0.379 0.000 1.047 33 V CA 1.703 63.846 62.300 -0.262 0.000 1.035 33 V CB -0.995 30.716 31.823 -0.187 0.000 0.658 33 V HN 0.141 nan 8.190 nan 0.000 0.452 34 Q N -0.299 119.200 119.800 -0.503 0.000 2.119 34 Q HA -0.080 4.262 4.340 0.005 0.000 0.201 34 Q C 2.420 177.703 176.000 -1.195 0.000 0.972 34 Q CA 1.732 57.134 55.803 -0.668 0.000 0.847 34 Q CB -0.573 27.822 28.738 -0.571 0.000 0.903 34 Q HN 0.639 nan 8.270 nan 0.000 0.433 35 A N 1.237 123.159 122.820 -1.496 0.000 1.902 35 A HA -0.075 4.248 4.320 0.005 0.000 0.217 35 A C 2.336 179.499 177.584 -0.702 0.000 1.181 35 A CA 1.911 53.075 52.037 -1.454 0.000 0.623 35 A CB -0.645 17.515 19.000 -1.399 0.000 0.818 35 A HN 0.358 nan 8.150 nan 0.000 0.443 36 A N -0.317 122.242 122.820 -0.436 0.000 1.855 36 A HA -0.149 4.174 4.320 0.005 0.000 0.215 36 A C 1.882 179.424 177.584 -0.070 0.000 1.191 36 A CA 1.557 53.555 52.037 -0.065 0.000 0.613 36 A CB -0.645 18.329 19.000 -0.044 0.000 0.829 36 A HN 0.591 nan 8.150 nan 0.000 0.442 37 E N -0.049 120.042 120.200 -0.181 0.000 2.219 37 E HA -0.160 4.193 4.350 0.005 0.000 0.198 37 E C 0.347 176.874 176.600 -0.121 0.000 0.998 37 E CA 1.069 57.384 56.400 -0.141 0.000 0.818 37 E CB -0.109 29.485 29.700 -0.175 0.000 0.741 37 E HN 0.529 nan 8.360 nan 0.000 0.477 38 N N -0.927 117.661 118.700 -0.186 0.000 2.389 38 N HA 0.093 4.836 4.740 0.005 0.000 0.260 38 N C 0.261 175.720 175.510 -0.084 0.000 1.191 38 N CA 0.613 53.606 53.050 -0.096 0.000 0.885 38 N CB 1.678 40.161 38.487 -0.006 0.000 1.162 38 N HN 0.214 nan 8.380 nan 0.000 0.512 39 G N 0.171 108.917 108.800 -0.090 0.000 2.175 39 G HA2 -0.248 3.715 3.960 0.005 0.000 0.244 39 G HA3 -0.248 3.715 3.960 0.005 0.000 0.244 39 G C 0.789 175.459 174.900 -0.384 0.000 0.982 39 G CA 0.236 45.269 45.100 -0.112 0.000 0.641 39 G HN 0.710 nan 8.290 nan 0.000 0.527 40 G N -0.354 108.111 108.800 -0.559 0.000 2.609 40 G HA2 0.047 4.010 3.960 0.005 0.000 0.288 40 G HA3 0.047 4.010 3.960 0.005 0.000 0.288 40 G C 2.014 176.535 174.900 -0.630 0.000 1.211 40 G CA 1.790 46.268 45.100 -1.037 0.000 0.963 40 G HN 1.903 nan 8.290 nan 0.000 0.541 41 G N 0.786 109.224 108.800 -0.602 0.000 2.470 41 G HA2 0.259 4.222 3.960 0.005 0.000 0.220 41 G HA3 0.259 4.222 3.960 0.005 0.000 0.220 41 G C 2.055 176.783 174.900 -0.287 0.000 1.121 41 G CA 2.751 47.629 45.100 -0.370 0.000 0.766 41 G HN 1.835 nan 8.290 nan 0.000 0.553 42 A N 0.440 123.096 122.820 -0.274 0.000 1.933 42 A HA 0.035 4.358 4.320 0.005 0.000 0.218 42 A C 2.088 179.572 177.584 -0.165 0.000 1.175 42 A CA 1.441 53.356 52.037 -0.203 0.000 0.628 42 A CB -0.474 18.439 19.000 -0.146 0.000 0.814 42 A HN 0.429 nan 8.150 nan 0.000 0.444 43 F N -0.180 119.579 119.950 -0.318 0.000 2.259 43 F HA -0.096 4.433 4.527 0.003 0.000 0.298 43 F C 2.107 177.759 175.800 -0.247 0.000 1.088 43 F CA 1.415 59.235 58.000 -0.300 0.000 1.358 43 F CB -0.071 38.720 39.000 -0.348 0.000 1.040 43 F HN 0.077 nan 8.300 nan 0.000 0.505 44 M N -0.213 119.288 119.600 -0.165 0.000 2.229 44 M HA -0.137 4.345 4.480 0.005 0.000 0.264 44 M C 2.120 178.356 176.300 -0.106 0.000 1.063 44 M CA 0.956 56.164 55.300 -0.154 0.000 1.114 44 M CB -0.991 31.499 32.600 -0.184 0.000 1.387 44 M HN 0.145 nan 8.290 nan 0.000 0.420 45 I N 0.614 121.093 120.570 -0.153 0.000 2.163 45 I HA -0.146 4.027 4.170 0.005 0.000 0.240 45 I C -0.408 175.581 176.117 -0.213 0.000 1.081 45 I CA 1.356 62.603 61.300 -0.088 0.000 1.353 45 I CB -2.886 35.109 38.000 -0.008 0.000 1.054 45 I HN 0.101 nan 8.210 nan 0.000 0.407 46 P HA -0.202 nan 4.420 nan 0.000 0.218 46 P C 1.893 178.956 177.300 -0.395 0.000 1.148 46 P CA 1.366 63.948 63.100 -0.864 0.000 0.822 46 P CB -0.228 30.582 31.700 -1.484 0.000 0.784 47 Y N 0.475 120.452 120.300 -0.539 0.000 2.114 47 Y HA -0.197 4.356 4.550 0.005 0.000 0.284 47 Y C 2.133 177.980 175.900 -0.089 0.000 1.143 47 Y CA 1.577 59.454 58.100 -0.372 0.000 1.135 47 Y CB -0.976 37.224 38.460 -0.433 0.000 0.980 47 Y HN -0.209 nan 8.280 nan 0.000 0.499 48 I N -0.141 120.494 120.570 0.109 0.000 2.226 48 I HA -0.336 3.836 4.170 0.005 0.000 0.245 48 I C 2.315 178.493 176.117 0.103 0.000 1.100 48 I CA 1.491 62.872 61.300 0.135 0.000 1.374 48 I CB -0.396 37.715 38.000 0.186 0.000 1.057 48 I HN 0.266 nan 8.210 nan 0.000 0.413 49 I N 0.649 121.256 120.570 0.061 0.000 2.179 49 I HA -0.296 3.876 4.170 0.005 0.000 0.242 49 I C 2.812 178.936 176.117 0.011 0.000 1.088 49 I CA 1.352 62.698 61.300 0.077 0.000 1.357 49 I CB -0.538 37.578 38.000 0.193 0.000 1.051 49 I HN 0.194 nan 8.210 nan 0.000 0.409 50 A N 0.782 123.614 122.820 0.018 0.000 1.908 50 A HA -0.280 4.042 4.320 0.005 0.000 0.218 50 A C 2.238 179.773 177.584 -0.082 0.000 1.181 50 A CA 1.600 53.635 52.037 -0.004 0.000 0.627 50 A CB -1.021 18.033 19.000 0.089 0.000 0.818 50 A HN 0.457 nan 8.150 nan 0.000 0.445 51 F N 0.633 120.426 119.950 -0.262 0.000 2.069 51 F HA -0.173 4.357 4.527 0.005 0.000 0.298 51 F C 1.904 177.605 175.800 -0.165 0.000 1.113 51 F CA 1.931 59.773 58.000 -0.264 0.000 1.214 51 F CB -0.371 38.448 39.000 -0.301 0.000 0.978 51 F HN 0.147 nan 8.300 nan 0.000 0.474 52 L N -0.456 120.671 121.223 -0.160 0.000 2.141 52 L HA -0.176 4.167 4.340 0.005 0.000 0.209 52 L C 2.139 178.951 176.870 -0.098 0.000 1.094 52 L CA 0.974 55.715 54.840 -0.164 0.000 0.763 52 L CB -0.490 41.569 42.059 0.001 0.000 0.908 52 L HN 0.240 nan 8.230 nan 0.000 0.437 53 L N -2.098 119.025 121.223 -0.166 0.000 2.556 53 L HA 0.069 4.412 4.340 0.005 0.000 0.226 53 L C 1.613 178.356 176.870 -0.213 0.000 1.089 53 L CA -0.104 54.620 54.840 -0.193 0.000 0.864 53 L CB 0.582 42.412 42.059 -0.382 0.000 1.067 53 L HN 0.013 nan 8.230 nan 0.000 0.477 54 V N -1.362 118.412 119.914 -0.234 0.000 3.054 54 V HA 0.212 4.334 4.120 0.005 0.000 0.227 54 V C 2.310 178.212 176.094 -0.320 0.000 1.252 54 V CA 0.969 63.144 62.300 -0.209 0.000 1.279 54 V CB -0.355 31.415 31.823 -0.089 0.000 1.118 54 V HN 0.292 nan 8.190 nan 0.000 0.504 55 G N 1.399 109.986 108.800 -0.355 0.000 2.545 55 G HA2 -0.234 3.728 3.960 0.005 0.000 0.217 55 G HA3 -0.234 3.728 3.960 0.005 0.000 0.217 55 G C 1.454 176.032 174.900 -0.538 0.000 1.218 55 G CA 1.504 46.372 45.100 -0.387 0.000 0.787 55 G HN 0.299 nan 8.290 nan 0.000 0.571 56 I N 2.381 122.441 120.570 -0.849 0.000 2.142 56 I HA -0.089 4.083 4.170 0.005 0.000 0.240 56 I C 0.224 175.784 176.117 -0.928 0.000 1.078 56 I CA 1.273 61.915 61.300 -1.097 0.000 1.343 56 I CB -2.054 35.159 38.000 -1.312 0.000 1.046 56 I HN 0.184 nan 8.210 nan 0.000 0.405 57 P HA -0.139 nan 4.420 nan 0.000 0.215 57 P C 2.371 179.604 177.300 -0.112 0.000 1.157 57 P CA 1.455 64.427 63.100 -0.212 0.000 0.863 57 P CB -0.056 31.599 31.700 -0.075 0.000 0.787 58 L N -1.752 119.367 121.223 -0.175 0.000 2.083 58 L HA -0.166 4.177 4.340 0.005 0.000 0.209 58 L C 2.791 179.631 176.870 -0.051 0.000 1.083 58 L CA 1.299 56.078 54.840 -0.101 0.000 0.752 58 L CB -0.732 41.228 42.059 -0.166 0.000 0.899 58 L HN -0.036 nan 8.230 nan 0.000 0.433 59 M N -0.750 118.762 119.600 -0.148 0.000 2.080 59 M HA -0.269 4.214 4.480 0.005 0.000 0.260 59 M C 1.951 178.316 176.300 0.109 0.000 1.068 59 M CA 2.028 57.302 55.300 -0.043 0.000 1.109 59 M CB -0.534 31.924 32.600 -0.236 0.000 1.342 59 M HN 0.172 nan 8.290 nan 0.000 0.405 60 W N 0.127 121.384 121.300 -0.071 0.000 2.388 60 W HA -0.066 4.597 4.660 0.005 0.000 0.294 60 W C 2.325 178.875 176.519 0.053 0.000 1.212 60 W CA 1.096 58.391 57.345 -0.084 0.000 1.271 60 W CB -1.065 28.296 29.460 -0.165 0.000 1.126 60 W HN 0.279 nan 8.180 nan 0.000 0.535 61 I N 0.196 120.935 120.570 0.281 0.000 2.315 61 I HA -0.269 3.903 4.170 0.005 0.000 0.248 61 I C 2.196 178.319 176.117 0.009 0.000 1.117 61 I CA 1.420 62.846 61.300 0.210 0.000 1.404 61 I CB -0.359 37.770 38.000 0.216 0.000 1.071 61 I HN -0.051 nan 8.210 nan 0.000 0.419 62 E N -0.297 119.960 120.200 0.094 0.000 2.107 62 E HA -0.201 4.152 4.350 0.005 0.000 0.191 62 E C 2.021 178.698 176.600 0.127 0.000 0.982 62 E CA 1.079 57.517 56.400 0.062 0.000 0.809 62 E CB -0.146 29.610 29.700 0.092 0.000 0.756 62 E HN 0.485 nan 8.360 nan 0.000 0.459 63 W N 1.293 122.605 121.300 0.021 0.000 2.363 63 W HA -0.121 4.541 4.660 0.004 0.000 0.296 63 W C 2.528 179.068 176.519 0.035 0.000 1.212 63 W CA 1.267 58.646 57.345 0.057 0.000 1.260 63 W CB -0.556 28.962 29.460 0.097 0.000 1.131 63 W HN 0.084 nan 8.180 nan 0.000 0.530 64 A N -0.329 122.631 122.820 0.235 0.000 1.873 64 A HA -0.187 4.136 4.320 0.005 0.000 0.215 64 A C 1.968 179.522 177.584 -0.051 0.000 1.186 64 A CA 1.856 53.966 52.037 0.122 0.000 0.616 64 A CB -0.888 18.209 19.000 0.162 0.000 0.823 64 A HN 0.219 nan 8.150 nan 0.000 0.442 65 M N -0.397 118.997 119.600 -0.343 0.000 2.149 65 M HA -0.144 4.339 4.480 0.005 0.000 0.261 65 M C 2.217 178.507 176.300 -0.016 0.000 1.064 65 M CA 1.527 56.624 55.300 -0.338 0.000 1.102 65 M CB -0.540 31.825 32.600 -0.392 0.000 1.369 65 M HN 0.530 nan 8.290 nan 0.000 0.408 66 G N -0.328 108.482 108.800 0.016 0.000 2.394 66 G HA2 -0.177 3.786 3.960 0.005 0.000 0.214 66 G HA3 -0.177 3.786 3.960 0.005 0.000 0.214 66 G C 1.556 176.493 174.900 0.061 0.000 1.176 66 G CA 0.533 45.651 45.100 0.030 0.000 0.786 66 G HN 0.371 nan 8.290 nan 0.000 0.533 67 R N -0.930 119.645 120.500 0.125 0.000 2.081 67 R HA -0.146 4.197 4.340 0.005 0.000 0.235 67 R C 2.233 178.627 176.300 0.156 0.000 1.131 67 R CA 1.513 57.705 56.100 0.153 0.000 0.960 67 R CB -0.575 29.851 30.300 0.209 0.000 0.856 67 R HN 0.404 nan 8.270 nan 0.000 0.436 68 Y N 0.404 120.736 120.300 0.054 0.000 2.097 68 Y HA -0.161 4.391 4.550 0.005 0.000 0.282 68 Y C 2.150 178.079 175.900 0.049 0.000 1.152 68 Y CA 2.110 60.243 58.100 0.056 0.000 1.136 68 Y CB -0.847 37.634 38.460 0.035 0.000 0.975 68 Y HN 0.184 nan 8.280 nan 0.000 0.498 69 G N -0.801 108.080 108.800 0.135 0.000 2.418 69 G HA2 -0.249 3.713 3.960 0.005 0.000 0.217 69 G HA3 -0.249 3.713 3.960 0.005 0.000 0.217 69 G C 1.886 176.777 174.900 -0.015 0.000 1.158 69 G CA 0.778 45.912 45.100 0.057 0.000 0.771 69 G HN 0.635 nan 8.290 nan 0.000 0.545 70 G N 0.971 109.751 108.800 -0.033 0.000 2.422 70 G HA2 0.068 4.031 3.960 0.005 0.000 0.218 70 G HA3 0.068 4.031 3.960 0.005 0.000 0.218 70 G C 1.981 176.855 174.900 -0.044 0.000 1.146 70 G CA 1.390 46.440 45.100 -0.083 0.000 0.769 70 G HN 0.646 nan 8.290 nan 0.000 0.547 71 A N 0.040 122.844 122.820 -0.028 0.000 2.067 71 A HA 0.029 4.352 4.320 0.005 0.000 0.219 71 A C 2.113 179.665 177.584 -0.053 0.000 1.158 71 A CA 1.342 53.368 52.037 -0.018 0.000 0.661 71 A CB -0.140 18.843 19.000 -0.029 0.000 0.801 71 A HN 0.466 nan 8.150 nan 0.000 0.452 72 Q N -1.628 118.123 119.800 -0.082 0.000 2.220 72 Q HA 0.327 4.670 4.340 0.005 0.000 0.205 72 Q C 0.871 176.842 176.000 -0.048 0.000 0.865 72 Q CA 0.248 56.029 55.803 -0.036 0.000 0.960 72 Q CB 0.407 29.128 28.738 -0.027 0.000 1.097 72 Q HN 0.799 nan 8.270 nan 0.000 0.493 73 G N 1.144 109.851 108.800 -0.154 0.000 2.157 73 G HA2 -0.206 3.757 3.960 0.005 0.000 0.248 73 G HA3 -0.206 3.757 3.960 0.005 0.000 0.248 73 G C -0.232 174.286 174.900 -0.636 0.000 0.979 73 G CA -0.315 44.570 45.100 -0.359 0.000 0.650 73 G HN 0.447 nan 8.290 nan 0.000 0.529 74 H N -0.548 118.475 119.070 -0.079 0.000 2.589 74 H HA 0.549 5.108 4.556 0.004 0.000 0.335 74 H C 0.914 176.194 175.328 -0.081 0.000 1.019 74 H CA 0.040 56.050 56.048 -0.063 0.000 1.213 74 H CB 1.571 31.323 29.762 -0.017 0.000 1.472 74 H HN 0.258 nan 8.280 nan 0.000 0.508 75 G N 2.197 110.988 108.800 -0.015 0.000 3.159 75 G HA2 0.034 3.996 3.960 0.005 0.000 0.232 75 G HA3 0.034 3.996 3.960 0.005 0.000 0.232 75 G C 0.382 175.285 174.900 0.007 0.000 1.116 75 G CA 0.052 45.101 45.100 -0.086 0.000 0.767 75 G HN 0.575 nan 8.290 nan 0.000 0.547 76 T N -3.584 111.015 114.554 0.075 0.000 2.916 76 T HA 0.444 4.797 4.350 0.005 0.000 0.292 76 T C 1.373 176.083 174.700 0.017 0.000 1.055 76 T CA 0.332 62.472 62.100 0.067 0.000 1.009 76 T CB 1.542 70.487 68.868 0.128 0.000 1.118 76 T HN 0.004 nan 8.240 nan 0.000 0.497 77 T N -2.133 112.361 114.554 -0.099 0.000 3.007 77 T HA 0.082 4.435 4.350 0.005 0.000 0.270 77 T C -1.188 173.309 174.700 -0.338 0.000 1.107 77 T CA 0.552 62.430 62.100 -0.369 0.000 1.118 77 T CB -1.577 66.850 68.868 -0.736 0.000 0.889 77 T HN 0.405 nan 8.240 nan 0.000 0.506 78 P HA 0.061 nan 4.420 nan 0.000 0.215 78 P C 1.913 179.232 177.300 0.031 0.000 1.157 78 P CA 1.518 64.581 63.100 -0.062 0.000 0.863 78 P CB -0.361 31.310 31.700 -0.049 0.000 0.787 79 A N -0.617 122.224 122.820 0.035 0.000 1.855 79 A HA -0.161 4.162 4.320 0.005 0.000 0.215 79 A C 2.252 179.894 177.584 0.096 0.000 1.191 79 A CA 1.534 53.558 52.037 -0.021 0.000 0.613 79 A CB -1.640 17.264 19.000 -0.159 0.000 0.829 79 A HN 0.082 nan 8.150 nan 0.000 0.442 80 I N -1.506 119.144 120.570 0.133 0.000 2.315 80 I HA -0.185 3.987 4.170 0.005 0.000 0.248 80 I C 2.185 178.528 176.117 0.378 0.000 1.117 80 I CA 0.914 62.349 61.300 0.224 0.000 1.404 80 I CB -0.383 37.733 38.000 0.194 0.000 1.071 80 I HN 0.215 nan 8.210 nan 0.000 0.419 81 F N 0.363 120.404 119.950 0.153 0.000 2.126 81 F HA -0.262 4.267 4.527 0.004 0.000 0.299 81 F C 2.529 178.478 175.800 0.248 0.000 1.096 81 F CA 1.197 59.311 58.000 0.190 0.000 1.255 81 F CB -1.391 37.732 39.000 0.205 0.000 0.997 81 F HN 0.096 nan 8.300 nan 0.000 0.479 82 Y N 0.269 120.730 120.300 0.267 0.000 2.242 82 Y HA -0.118 4.434 4.550 0.004 0.000 0.291 82 Y C 2.174 178.167 175.900 0.155 0.000 1.137 82 Y CA 1.223 59.406 58.100 0.138 0.000 1.181 82 Y CB -0.454 38.027 38.460 0.036 0.000 0.989 82 Y HN -0.037 nan 8.280 nan 0.000 0.527 83 L N -0.590 120.762 121.223 0.215 0.000 2.131 83 L HA -0.231 4.112 4.340 0.005 0.000 0.210 83 L C 2.088 179.098 176.870 0.233 0.000 1.092 83 L CA 1.096 56.044 54.840 0.181 0.000 0.759 83 L CB -0.452 41.748 42.059 0.234 0.000 0.903 83 L HN 0.294 nan 8.230 nan 0.000 0.435 84 L N -2.389 118.960 121.223 0.211 0.000 2.270 84 L HA -0.041 4.302 4.340 0.005 0.000 0.210 84 L C 0.334 177.443 176.870 0.398 0.000 1.104 84 L CA 0.228 55.161 54.840 0.154 0.000 0.804 84 L CB 0.020 42.078 42.059 -0.002 0.000 0.937 84 L HN 0.308 nan 8.230 nan 0.000 0.450 85 W N 1.117 122.465 121.300 0.081 0.000 2.822 85 W HA 0.298 4.961 4.660 0.005 0.000 0.317 85 W C -0.606 175.884 176.519 -0.049 0.000 1.033 85 W CA -1.287 56.092 57.345 0.057 0.000 1.252 85 W CB 0.660 30.169 29.460 0.082 0.000 1.186 85 W HN -0.213 nan 8.180 nan 0.000 0.383 86 R N 4.808 125.198 120.500 -0.184 0.000 3.710 86 R HA 0.161 4.503 4.340 0.005 0.000 0.201 86 R C -0.225 175.836 176.300 -0.398 0.000 1.641 86 R CA -0.017 55.690 56.100 -0.656 0.000 1.390 86 R CB -0.302 29.720 30.300 -0.465 0.000 1.341 86 R HN 0.384 nan 8.270 nan 0.000 0.728 87 N N 0.739 119.180 118.700 -0.432 0.000 2.287 87 N HA 0.127 4.869 4.740 0.005 0.000 0.289 87 N C 0.404 175.845 175.510 -0.115 0.000 1.066 87 N CA -0.487 52.335 53.050 -0.380 0.000 0.841 87 N CB 1.924 39.799 38.487 -1.020 0.000 1.599 87 N HN 0.008 nan 8.380 nan 0.000 0.476 88 R N 1.705 122.224 120.500 0.032 0.000 2.152 88 R HA 0.031 4.374 4.340 0.005 0.000 0.232 88 R C 1.597 177.948 176.300 0.085 0.000 1.117 88 R CA 1.183 57.318 56.100 0.059 0.000 0.981 88 R CB -0.669 29.666 30.300 0.058 0.000 0.870 88 R HN 0.597 nan 8.270 nan 0.000 0.451 89 F N 0.390 120.265 119.950 -0.125 0.000 2.202 89 F HA -0.101 4.429 4.527 0.004 0.000 0.301 89 F C 1.931 177.732 175.800 0.001 0.000 1.082 89 F CA 1.083 59.054 58.000 -0.048 0.000 1.313 89 F CB -0.605 38.381 39.000 -0.022 0.000 1.024 89 F HN 0.098 nan 8.300 nan 0.000 0.495 90 A N 0.105 122.796 122.820 -0.215 0.000 1.940 90 A HA -0.230 4.093 4.320 0.005 0.000 0.219 90 A C 2.313 180.025 177.584 0.213 0.000 1.176 90 A CA 1.843 53.911 52.037 0.052 0.000 0.631 90 A CB -0.622 18.421 19.000 0.072 0.000 0.814 90 A HN 0.429 nan 8.150 nan 0.000 0.446 91 K N -0.560 119.903 120.400 0.105 0.000 2.097 91 K HA -0.034 4.288 4.320 0.005 0.000 0.206 91 K C 1.772 178.376 176.600 0.006 0.000 1.049 91 K CA 1.473 57.783 56.287 0.037 0.000 0.933 91 K CB -0.307 32.140 32.500 -0.088 0.000 0.717 91 K HN 0.564 nan 8.250 nan 0.000 0.442 92 I N 0.902 121.471 120.570 -0.002 0.000 2.333 92 I HA -0.217 3.956 4.170 0.005 0.000 0.246 92 I C 2.148 178.311 176.117 0.077 0.000 1.106 92 I CA 0.878 62.176 61.300 -0.003 0.000 1.411 92 I CB -0.200 37.849 38.000 0.082 0.000 1.082 92 I HN 0.079 nan 8.210 nan 0.000 0.420 93 L N 0.711 121.963 121.223 0.048 0.000 2.131 93 L HA -0.140 4.202 4.340 0.005 0.000 0.210 93 L C 2.568 179.824 176.870 0.644 0.000 1.092 93 L CA 1.451 56.537 54.840 0.410 0.000 0.759 93 L CB -0.927 41.301 42.059 0.282 0.000 0.903 93 L HN 0.318 nan 8.230 nan 0.000 0.435 94 G N -0.860 108.169 108.800 0.381 0.000 2.509 94 G HA2 -0.135 3.828 3.960 0.005 0.000 0.218 94 G HA3 -0.135 3.828 3.960 0.005 0.000 0.218 94 G C 1.543 176.383 174.900 -0.100 0.000 1.124 94 G CA 0.493 45.563 45.100 -0.049 0.000 0.776 94 G HN 0.211 nan 8.290 nan 0.000 0.547 95 V N 0.421 120.252 119.914 -0.138 0.000 2.594 95 V HA -0.149 3.974 4.120 0.005 0.000 0.253 95 V C 2.386 178.279 176.094 -0.335 0.000 1.069 95 V CA 1.227 63.271 62.300 -0.426 0.000 1.082 95 V CB -0.656 30.662 31.823 -0.842 0.000 0.680 95 V HN 0.355 nan 8.190 nan 0.000 0.469 96 F N 1.382 121.321 119.950 -0.017 0.000 2.250 96 F HA -0.093 4.436 4.527 0.005 0.000 0.301 96 F C 2.298 177.714 175.800 -0.639 0.000 1.077 96 F CA 1.515 59.448 58.000 -0.112 0.000 1.348 96 F CB -0.867 38.115 39.000 -0.031 0.000 1.040 96 F HN 0.250 nan 8.300 nan 0.000 0.509 97 G N -0.940 107.490 108.800 -0.617 0.000 2.920 97 G HA2 0.069 4.032 3.960 0.005 0.000 0.208 97 G HA3 0.069 4.032 3.960 0.005 0.000 0.208 97 G C 1.428 176.223 174.900 -0.175 0.000 1.159 97 G CA 0.206 45.039 45.100 -0.444 0.000 0.784 97 G HN 0.333 nan 8.290 nan 0.000 0.535 98 L N -2.189 118.926 121.223 -0.181 0.000 2.362 98 L HA 0.272 4.615 4.340 0.005 0.000 0.204 98 L C 2.371 179.212 176.870 -0.048 0.000 1.060 98 L CA -0.039 54.712 54.840 -0.148 0.000 0.827 98 L CB -0.215 41.656 42.059 -0.313 0.000 1.027 98 L HN 0.335 nan 8.230 nan 0.000 0.474 99 W N 1.637 122.810 121.300 -0.211 0.000 2.407 99 W HA -0.083 4.580 4.660 0.004 0.000 0.305 99 W C 2.191 178.712 176.519 0.003 0.000 1.196 99 W CA 1.324 58.609 57.345 -0.100 0.000 1.311 99 W CB -0.087 29.321 29.460 -0.086 0.000 1.135 99 W HN -0.086 nan 8.180 nan 0.000 0.514 100 I N 1.955 122.585 120.570 0.099 0.000 2.118 100 I HA -0.294 3.879 4.170 0.005 0.000 0.241 100 I C -0.390 175.683 176.117 -0.073 0.000 1.070 100 I CA 1.750 63.009 61.300 -0.068 0.000 1.327 100 I CB -1.897 36.090 38.000 -0.022 0.000 1.034 100 I HN -0.045 nan 8.210 nan 0.000 0.405 101 P HA -0.132 nan 4.420 nan 0.000 0.222 101 P C 1.850 179.120 177.300 -0.051 0.000 1.153 101 P CA 1.121 64.236 63.100 0.025 0.000 0.798 101 P CB 0.057 31.769 31.700 0.019 0.000 0.796 102 L N -0.005 121.173 121.223 -0.075 0.000 2.072 102 L HA -0.076 4.267 4.340 0.005 0.000 0.205 102 L C 2.479 179.297 176.870 -0.086 0.000 1.079 102 L CA 1.585 56.394 54.840 -0.052 0.000 0.752 102 L CB -1.140 40.905 42.059 -0.024 0.000 0.906 102 L HN -0.247 nan 8.230 nan 0.000 0.436 103 V N -1.434 118.338 119.914 -0.237 0.000 2.358 103 V HA -0.231 3.892 4.120 0.005 0.000 0.246 103 V C 2.420 178.498 176.094 -0.027 0.000 1.047 103 V CA 1.518 63.693 62.300 -0.209 0.000 1.035 103 V CB -0.300 31.181 31.823 -0.570 0.000 0.658 103 V HN 0.297 nan 8.190 nan 0.000 0.452 104 V N 0.325 120.199 119.914 -0.067 0.000 2.427 104 V HA -0.209 3.913 4.120 0.005 0.000 0.248 104 V C 2.701 178.569 176.094 -0.377 0.000 1.051 104 V CA 1.783 63.960 62.300 -0.204 0.000 1.048 104 V CB -1.043 30.804 31.823 0.040 0.000 0.666 104 V HN 0.551 nan 8.190 nan 0.000 0.456 105 A N 0.117 122.837 122.820 -0.167 0.000 1.940 105 A HA -0.210 4.113 4.320 0.005 0.000 0.219 105 A C 2.142 179.737 177.584 0.019 0.000 1.176 105 A CA 1.976 53.963 52.037 -0.083 0.000 0.631 105 A CB -0.600 18.382 19.000 -0.030 0.000 0.814 105 A HN 0.523 nan 8.150 nan 0.000 0.446 106 I N -1.111 119.491 120.570 0.054 0.000 2.335 106 I HA -0.302 3.871 4.170 0.005 0.000 0.251 106 I C 2.387 178.609 176.117 0.174 0.000 1.129 106 I CA 1.850 63.236 61.300 0.143 0.000 1.402 106 I CB -0.332 37.766 38.000 0.164 0.000 1.069 106 I HN 0.734 nan 8.210 nan 0.000 0.424 107 Y N -2.481 117.902 120.300 0.137 0.000 2.479 107 Y HA 0.049 4.601 4.550 0.004 0.000 0.283 107 Y C 2.322 178.292 175.900 0.117 0.000 1.109 107 Y CA -0.033 58.139 58.100 0.119 0.000 1.239 107 Y CB -1.143 37.390 38.460 0.123 0.000 1.108 107 Y HN 0.010 nan 8.280 nan 0.000 0.548 108 Y N 1.448 121.548 120.300 -0.333 0.000 2.145 108 Y HA -0.176 4.377 4.550 0.004 0.000 0.286 108 Y C 2.327 178.183 175.900 -0.073 0.000 1.145 108 Y CA 2.191 60.164 58.100 -0.211 0.000 1.148 108 Y CB -0.235 38.049 38.460 -0.294 0.000 0.981 108 Y HN 0.028 nan 8.280 nan 0.000 0.507 109 V N -0.525 119.530 119.914 0.235 0.000 2.407 109 V HA -0.317 3.806 4.120 0.005 0.000 0.248 109 V C 1.959 178.261 176.094 0.348 0.000 1.055 109 V CA 2.071 64.541 62.300 0.282 0.000 1.049 109 V CB -1.102 30.901 31.823 0.301 0.000 0.662 109 V HN 0.511 nan 8.190 nan 0.000 0.455 110 Y N 0.712 121.070 120.300 0.097 0.000 2.145 110 Y HA -0.178 4.375 4.550 0.005 0.000 0.286 110 Y C 2.244 177.782 175.900 -0.603 0.000 1.145 110 Y CA 1.350 59.345 58.100 -0.174 0.000 1.148 110 Y CB -0.369 37.852 38.460 -0.399 0.000 0.981 110 Y HN 0.197 nan 8.280 nan 0.000 0.507 111 I N 0.183 120.230 120.570 -0.872 0.000 2.286 111 I HA -0.274 3.898 4.170 0.005 0.000 0.248 111 I C 2.518 178.213 176.117 -0.702 0.000 1.115 111 I CA 1.798 62.200 61.300 -1.496 0.000 1.392 111 I CB -0.479 36.922 38.000 -0.998 0.000 1.065 111 I HN 0.298 nan 8.210 nan 0.000 0.418 112 E N 1.197 121.202 120.200 -0.324 0.000 2.110 112 E HA -0.255 4.098 4.350 0.005 0.000 0.193 112 E C 2.251 178.949 176.600 0.164 0.000 0.988 112 E CA 1.745 58.125 56.400 -0.032 0.000 0.804 112 E CB 0.002 29.726 29.700 0.039 0.000 0.745 112 E HN 0.522 nan 8.360 nan 0.000 0.458 113 S N -0.266 115.521 115.700 0.144 0.000 2.423 113 S HA -0.130 4.342 4.470 0.005 0.000 0.231 113 S C 1.604 176.388 174.600 0.306 0.000 1.014 113 S CA 0.719 59.078 58.200 0.265 0.000 0.965 113 S CB -0.644 62.818 63.200 0.437 0.000 0.785 113 S HN 0.434 nan 8.310 nan 0.000 0.495 114 W N 2.936 124.226 121.300 -0.018 0.000 2.402 114 W HA 0.045 4.708 4.660 0.004 0.000 0.286 114 W C 2.936 179.441 176.519 -0.023 0.000 1.221 114 W CA 1.212 58.487 57.345 -0.117 0.000 1.257 114 W CB -1.875 27.242 29.460 -0.572 0.000 1.120 114 W HN 0.623 nan 8.180 nan 0.000 0.551 115 T N -1.126 113.604 114.554 0.293 0.000 2.821 115 T HA -0.164 4.188 4.350 0.005 0.000 0.267 115 T C 1.934 176.769 174.700 0.224 0.000 1.046 115 T CA 1.281 63.533 62.100 0.254 0.000 1.139 115 T CB -0.719 68.281 68.868 0.220 0.000 0.871 115 T HN -0.011 nan 8.240 nan 0.000 0.454 116 L N 2.066 123.365 121.223 0.127 0.000 2.056 116 L HA 0.313 4.655 4.340 0.005 0.000 0.207 116 L C 2.706 179.665 176.870 0.150 0.000 1.078 116 L CA 2.037 56.815 54.840 -0.104 0.000 0.749 116 L CB -1.242 40.547 42.059 -0.449 0.000 0.901 116 L HN 0.376 nan 8.230 nan 0.000 0.433 117 G N -1.296 107.663 108.800 0.264 0.000 2.418 117 G HA2 -0.281 3.682 3.960 0.005 0.000 0.217 117 G HA3 -0.281 3.682 3.960 0.005 0.000 0.217 117 G C 1.422 176.655 174.900 0.554 0.000 1.158 117 G CA 0.821 46.190 45.100 0.448 0.000 0.771 117 G HN 0.376 nan 8.290 nan 0.000 0.545 118 F N 1.840 121.832 119.950 0.070 0.000 2.146 118 F HA 0.089 4.618 4.527 0.004 0.000 0.298 118 F C 3.018 179.018 175.800 0.333 0.000 1.096 118 F CA 0.633 58.661 58.000 0.047 0.000 1.275 118 F CB -0.625 37.870 39.000 -0.841 0.000 1.008 118 F HN 0.243 nan 8.300 nan 0.000 0.480 119 A N 0.584 123.710 122.820 0.511 0.000 1.873 119 A HA -0.207 4.116 4.320 0.005 0.000 0.218 119 A C 2.307 180.283 177.584 0.655 0.000 1.193 119 A CA 2.036 54.470 52.037 0.661 0.000 0.629 119 A CB -1.220 18.105 19.000 0.542 0.000 0.826 119 A HN 0.358 nan 8.150 nan 0.000 0.447 120 I N -0.508 120.354 120.570 0.487 0.000 2.118 120 I HA -0.346 3.826 4.170 0.005 0.000 0.241 120 I C 2.554 178.862 176.117 0.319 0.000 1.070 120 I CA 2.088 63.622 61.300 0.390 0.000 1.327 120 I CB -0.363 37.910 38.000 0.455 0.000 1.034 120 I HN 0.316 nan 8.210 nan 0.000 0.405 121 K N -0.031 120.581 120.400 0.353 0.000 2.097 121 K HA -0.151 4.172 4.320 0.005 0.000 0.206 121 K C 2.071 178.753 176.600 0.138 0.000 1.049 121 K CA 1.474 57.866 56.287 0.175 0.000 0.933 121 K CB -0.204 32.402 32.500 0.177 0.000 0.717 121 K HN 0.133 nan 8.250 nan 0.000 0.442 122 F N 0.779 120.863 119.950 0.223 0.000 2.163 122 F HA -0.141 4.388 4.527 0.004 0.000 0.297 122 F C 2.123 178.030 175.800 0.178 0.000 1.094 122 F CA 0.630 58.779 58.000 0.249 0.000 1.290 122 F CB -0.422 38.848 39.000 0.449 0.000 1.017 122 F HN -0.051 nan 8.300 nan 0.000 0.483 123 L N -0.223 121.156 121.223 0.259 0.000 2.042 123 L HA -0.168 4.175 4.340 0.005 0.000 0.210 123 L C 1.898 178.751 176.870 -0.028 0.000 1.076 123 L CA 1.700 56.477 54.840 -0.106 0.000 0.749 123 L CB -0.730 41.058 42.059 -0.450 0.000 0.893 123 L HN -0.027 nan 8.230 nan 0.000 0.432 124 V N -0.124 119.790 119.914 0.000 0.000 3.623 124 V HA 0.280 4.403 4.120 0.005 0.000 0.271 124 V C 1.704 177.777 176.094 -0.035 0.000 1.248 124 V CA 0.750 63.037 62.300 -0.022 0.000 1.156 124 V CB -0.672 31.138 31.823 -0.022 0.000 0.870 124 V HN 0.742 nan 8.190 nan 0.000 0.453 125 G N 0.787 109.564 108.800 -0.038 0.000 2.148 125 G HA2 -0.262 3.700 3.960 0.005 0.000 0.254 125 G HA3 -0.262 3.700 3.960 0.005 0.000 0.254 125 G C 0.252 175.062 174.900 -0.149 0.000 0.981 125 G CA 0.143 45.193 45.100 -0.084 0.000 0.670 125 G HN 0.485 nan 8.290 nan 0.000 0.528 126 L N 1.157 122.288 121.223 -0.154 0.000 2.391 126 L HA 0.483 4.825 4.340 0.005 0.000 0.249 126 L C 0.855 177.586 176.870 -0.232 0.000 1.308 126 L CA -0.312 54.435 54.840 -0.156 0.000 1.209 126 L CB -0.043 41.939 42.059 -0.129 0.000 1.401 126 L HN 0.352 nan 8.230 nan 0.000 0.416 127 V N -0.631 119.051 119.914 -0.386 0.000 3.160 127 V HA 0.757 4.880 4.120 0.005 0.000 0.310 127 V C -2.605 173.156 176.094 -0.554 0.000 1.181 127 V CA -2.002 59.852 62.300 -0.744 0.000 1.047 127 V CB 1.738 32.895 31.823 -1.109 0.000 1.068 127 V HN 0.165 nan 8.190 nan 0.000 0.441 128 P HA 0.425 nan 4.420 nan 0.000 0.278 128 P C -0.859 176.201 177.300 -0.399 0.000 1.238 128 P CA -0.136 62.643 63.100 -0.534 0.000 0.794 128 P CB 0.651 31.933 31.700 -0.696 0.000 0.955 129 E N 2.759 122.831 120.200 -0.213 0.000 2.167 129 E HA 0.260 4.613 4.350 0.005 0.000 0.284 129 E C -1.964 174.596 176.600 -0.066 0.000 1.016 129 E CA -1.532 54.815 56.400 -0.089 0.000 0.817 129 E CB 0.947 30.619 29.700 -0.047 0.000 1.080 129 E HN 0.392 nan 8.360 nan 0.000 0.397 130 P HA 0.347 nan 4.420 nan 0.000 0.279 130 P C -2.647 174.688 177.300 0.058 0.000 1.252 130 P CA -1.573 61.569 63.100 0.069 0.000 0.811 130 P CB -0.029 31.787 31.700 0.193 0.000 1.035 131 P HA 0.266 nan 4.420 nan 0.000 0.274 131 P C -2.001 175.328 177.300 0.047 0.000 1.246 131 P CA -0.853 62.269 63.100 0.037 0.000 0.795 131 P CB -1.102 30.616 31.700 0.030 0.000 1.006 136 D N 4.405 124.848 120.400 0.072 0.000 2.451 136 D HA 0.149 4.792 4.640 0.005 0.000 0.254 136 D C -0.564 175.805 176.300 0.115 0.000 1.204 136 D CA -1.361 52.685 54.000 0.077 0.000 0.896 136 D CB 1.221 42.055 40.800 0.056 0.000 1.136 136 D HN 0.090 nan 8.370 nan 0.000 0.499 137 P HA -0.173 nan 4.420 nan 0.000 0.215 137 P C 0.721 178.106 177.300 0.142 0.000 1.157 137 P CA 1.205 64.442 63.100 0.227 0.000 0.874 137 P CB 0.233 32.077 31.700 0.241 0.000 0.790 138 D N -0.273 120.173 120.400 0.076 0.000 2.144 138 D HA -0.124 4.518 4.640 0.005 0.000 0.199 138 D C 2.153 178.491 176.300 0.063 0.000 0.984 138 D CA 1.769 55.797 54.000 0.046 0.000 0.834 138 D CB -0.438 40.374 40.800 0.020 0.000 0.955 138 D HN 0.226 nan 8.370 nan 0.000 0.465 139 S N -0.514 115.228 115.700 0.071 0.000 2.474 139 S HA -0.070 4.402 4.470 0.005 0.000 0.235 139 S C 1.870 176.531 174.600 0.101 0.000 0.997 139 S CA 0.490 58.731 58.200 0.068 0.000 0.949 139 S CB -0.309 62.925 63.200 0.057 0.000 0.766 139 S HN 0.266 nan 8.310 nan 0.000 0.517 140 I N 0.488 121.144 120.570 0.144 0.000 2.731 140 I HA 0.116 4.289 4.170 0.005 0.000 0.260 140 I C 2.139 178.425 176.117 0.280 0.000 1.138 140 I CA 0.503 61.931 61.300 0.213 0.000 1.461 140 I CB -0.159 37.974 38.000 0.222 0.000 1.128 140 I HN 0.206 nan 8.210 nan 0.000 0.438 141 L N 0.360 121.702 121.223 0.199 0.000 2.217 141 L HA -0.086 4.257 4.340 0.005 0.000 0.211 141 L C 2.693 179.668 176.870 0.176 0.000 1.107 141 L CA 0.994 55.941 54.840 0.179 0.000 0.783 141 L CB -0.404 41.685 42.059 0.051 0.000 0.919 141 L HN 0.180 nan 8.230 nan 0.000 0.442 142 R N 0.335 120.898 120.500 0.105 0.000 2.062 142 R HA -0.109 4.233 4.340 0.005 0.000 0.229 142 R C -0.444 175.869 176.300 0.021 0.000 1.128 142 R CA 1.255 57.373 56.100 0.031 0.000 0.960 142 R CB -0.951 29.354 30.300 0.008 0.000 0.855 142 R HN 0.225 nan 8.270 nan 0.000 0.432 143 P HA -0.122 nan 4.420 nan 0.000 0.218 143 P C 0.612 177.808 177.300 -0.173 0.000 1.148 143 P CA 1.325 64.351 63.100 -0.122 0.000 0.822 143 P CB -0.066 31.493 31.700 -0.236 0.000 0.784 144 F N -0.034 119.959 119.950 0.070 0.000 2.293 144 F HA 0.004 4.534 4.527 0.005 0.000 0.297 144 F C 2.405 178.315 175.800 0.182 0.000 1.089 144 F CA 1.117 59.210 58.000 0.154 0.000 1.377 144 F CB -0.612 38.482 39.000 0.156 0.000 1.051 144 F HN -0.181 nan 8.300 nan 0.000 0.511 145 K N 0.833 121.330 120.400 0.161 0.000 2.057 145 K HA -0.194 4.129 4.320 0.005 0.000 0.207 145 K C 1.807 178.271 176.600 -0.226 0.000 1.049 145 K CA 1.722 57.932 56.287 -0.128 0.000 0.931 145 K CB -0.135 32.185 32.500 -0.299 0.000 0.714 145 K HN 0.289 nan 8.250 nan 0.000 0.440 146 E N -0.417 119.732 120.200 -0.085 0.000 2.106 146 E HA -0.183 4.169 4.350 0.005 0.000 0.192 146 E C 1.783 178.453 176.600 0.116 0.000 0.984 146 E CA 1.063 57.461 56.400 -0.003 0.000 0.806 146 E CB -0.147 29.551 29.700 -0.002 0.000 0.750 146 E HN 0.274 nan 8.360 nan 0.000 0.458 147 F N 1.226 121.169 119.950 -0.012 0.000 2.075 147 F HA -0.189 4.341 4.527 0.005 0.000 0.297 147 F C 2.102 177.979 175.800 0.128 0.000 1.113 147 F CA 1.018 59.017 58.000 -0.001 0.000 1.218 147 F CB -0.221 38.742 39.000 -0.062 0.000 0.984 147 F HN -0.001 nan 8.300 nan 0.000 0.472 148 L N -0.379 121.100 121.223 0.426 0.000 2.042 148 L HA -0.249 4.094 4.340 0.005 0.000 0.210 148 L C 2.137 179.142 176.870 0.225 0.000 1.076 148 L CA 1.892 56.951 54.840 0.366 0.000 0.749 148 L CB -1.335 40.979 42.059 0.425 0.000 0.893 148 L HN 0.176 nan 8.230 nan 0.000 0.432 149 Y N -0.284 120.011 120.300 -0.008 0.000 2.224 149 Y HA -0.142 4.410 4.550 0.005 0.000 0.289 149 Y C 2.836 178.678 175.900 -0.096 0.000 1.146 149 Y CA 1.103 59.165 58.100 -0.065 0.000 1.182 149 Y CB -1.218 37.228 38.460 -0.022 0.000 0.983 149 Y HN 0.255 nan 8.280 nan 0.000 0.524 150 S N -1.125 114.616 115.700 0.068 0.000 2.406 150 S HA -0.181 4.291 4.470 0.005 0.000 0.228 150 S C 1.846 176.387 174.600 -0.098 0.000 1.020 150 S CA 0.850 59.027 58.200 -0.039 0.000 0.965 150 S CB -0.652 62.504 63.200 -0.073 0.000 0.798 150 S HN 0.560 nan 8.310 nan 0.000 0.488 151 Y N 2.939 123.073 120.300 -0.277 0.000 2.114 151 Y HA -0.090 4.463 4.550 0.005 0.000 0.284 151 Y C 2.000 177.716 175.900 -0.308 0.000 1.143 151 Y CA 1.765 59.682 58.100 -0.304 0.000 1.135 151 Y CB -0.203 38.047 38.460 -0.350 0.000 0.980 151 Y HN 0.321 nan 8.280 nan 0.000 0.499 152 I N -2.780 117.656 120.570 -0.224 0.000 3.419 152 I HA 0.334 4.507 4.170 0.005 0.000 0.286 152 I C 1.354 177.298 176.117 -0.289 0.000 1.268 152 I CA 0.840 61.906 61.300 -0.390 0.000 1.414 152 I CB -0.462 37.105 38.000 -0.722 0.000 1.074 152 I HN 0.318 nan 8.210 nan 0.000 0.457 153 G N 2.440 111.107 108.800 -0.222 0.000 2.248 153 G HA2 -0.194 3.769 3.960 0.005 0.000 0.263 153 G HA3 -0.194 3.769 3.960 0.005 0.000 0.263 153 G C 0.051 174.834 174.900 -0.194 0.000 1.082 153 G CA 0.125 45.121 45.100 -0.173 0.000 0.863 153 G HN 0.287 nan 8.290 nan 0.000 0.495 154 V N 1.332 121.085 119.914 -0.270 0.000 2.720 154 V HA 0.189 4.312 4.120 0.005 0.000 0.307 154 V C -0.845 175.132 176.094 -0.195 0.000 1.071 154 V CA -0.184 61.910 62.300 -0.343 0.000 1.199 154 V CB 0.574 31.945 31.823 -0.754 0.000 0.900 154 V HN 0.407 nan 8.190 nan 0.000 0.494 155 P HA 0.192 nan 4.420 nan 0.000 0.271 155 P C -0.026 177.238 177.300 -0.061 0.000 1.220 155 P CA -0.136 62.906 63.100 -0.097 0.000 0.768 155 P CB 0.513 32.152 31.700 -0.102 0.000 0.848 156 K N 1.231 121.615 120.400 -0.028 0.000 2.379 156 K HA 0.185 4.508 4.320 0.005 0.000 0.194 156 K C 1.325 177.925 176.600 0.001 0.000 1.031 156 K CA 0.346 56.634 56.287 0.001 0.000 1.037 156 K CB 0.342 32.848 32.500 0.011 0.000 0.824 156 K HN 0.582 nan 8.250 nan 0.000 0.516 157 G N 0.559 109.354 108.800 -0.009 0.000 3.234 157 G HA2 0.056 4.019 3.960 0.005 0.000 0.159 157 G HA3 0.056 4.019 3.960 0.005 0.000 0.159 157 G C -0.514 174.382 174.900 -0.007 0.000 1.175 157 G CA -0.308 44.791 45.100 -0.001 0.000 0.900 157 G HN -0.063 nan 8.290 nan 0.000 0.621 158 D N 0.054 120.457 120.400 0.005 0.000 2.271 158 D HA 0.102 4.745 4.640 0.005 0.000 0.206 158 D C 0.503 176.799 176.300 -0.006 0.000 0.967 158 D CA 0.475 54.483 54.000 0.012 0.000 0.867 158 D CB 0.295 41.122 40.800 0.045 0.000 0.960 158 D HN 0.372 nan 8.370 nan 0.000 0.509 159 E N 1.888 122.086 120.200 -0.003 0.000 2.344 159 E HA 0.095 4.448 4.350 0.005 0.000 0.270 159 E C -1.922 174.630 176.600 -0.081 0.000 1.021 159 E CA -1.393 55.004 56.400 -0.006 0.000 0.887 159 E CB 0.796 30.508 29.700 0.020 0.000 0.997 159 E HN 0.093 nan 8.360 nan 0.000 0.429 160 P HA 0.114 nan 4.420 nan 0.000 0.237 160 P C -0.736 176.482 177.300 -0.136 0.000 1.723 160 P CA 0.153 63.115 63.100 -0.230 0.000 0.882 160 P CB -0.123 31.324 31.700 -0.421 0.000 1.810 161 I N 0.875 121.399 120.570 -0.077 0.000 2.404 161 I HA 0.309 4.482 4.170 0.005 0.000 0.293 161 I C 0.645 176.742 176.117 -0.033 0.000 0.992 161 I CA -1.618 59.666 61.300 -0.026 0.000 1.149 161 I CB 1.462 39.468 38.000 0.010 0.000 1.315 161 I HN -0.069 nan 8.210 nan 0.000 0.446 162 L N 5.230 126.439 121.223 -0.023 0.000 2.357 162 L HA 0.436 4.779 4.340 0.005 0.000 0.273 162 L C 0.329 177.179 176.870 -0.034 0.000 1.080 162 L CA -0.572 54.215 54.840 -0.088 0.000 0.803 162 L CB 0.849 42.800 42.059 -0.181 0.000 1.174 162 L HN 0.483 nan 8.230 nan 0.000 0.443 163 K N 3.685 124.036 120.400 -0.082 0.000 2.682 163 K HA 0.328 4.651 4.320 0.005 0.000 0.189 163 K C -2.463 174.056 176.600 -0.135 0.000 1.062 163 K CA -1.630 54.633 56.287 -0.039 0.000 0.997 163 K CB 0.629 33.123 32.500 -0.010 0.000 1.405 163 K HN 0.162 nan 8.250 nan 0.000 0.588 164 P HA -0.037 nan 4.420 nan 0.000 0.269 164 P C -0.259 176.935 177.300 -0.177 0.000 1.209 164 P CA -0.085 62.862 63.100 -0.254 0.000 0.776 164 P CB 1.043 32.564 31.700 -0.298 0.000 0.876 165 S N 2.195 117.763 115.700 -0.220 0.000 2.576 165 S HA -0.038 4.434 4.470 0.005 0.000 0.272 165 S C 1.271 175.826 174.600 -0.075 0.000 1.352 165 S CA -0.477 57.635 58.200 -0.147 0.000 1.021 165 S CB -0.038 63.050 63.200 -0.186 0.000 0.887 165 S HN 0.393 nan 8.310 nan 0.000 0.542 166 L N 1.753 122.981 121.223 0.008 0.000 2.083 166 L HA 0.068 4.410 4.340 0.005 0.000 0.209 166 L C 1.980 178.931 176.870 0.136 0.000 1.083 166 L CA 1.748 56.638 54.840 0.084 0.000 0.752 166 L CB -1.276 40.832 42.059 0.082 0.000 0.899 166 L HN 0.852 nan 8.230 nan 0.000 0.433 167 F N 0.511 120.438 119.950 -0.038 0.000 2.095 167 F HA -0.217 4.312 4.527 0.004 0.000 0.298 167 F C 2.352 178.112 175.800 -0.068 0.000 1.104 167 F CA 1.697 59.681 58.000 -0.025 0.000 1.232 167 F CB -0.811 38.171 39.000 -0.031 0.000 0.987 167 F HN 0.160 nan 8.300 nan 0.000 0.475 168 A N -0.449 122.114 122.820 -0.429 0.000 1.903 168 A HA -0.323 4.000 4.320 0.005 0.000 0.219 168 A C 2.181 179.724 177.584 -0.068 0.000 1.191 168 A CA 2.085 53.776 52.037 -0.576 0.000 0.638 168 A CB -1.812 16.648 19.000 -0.900 0.000 0.823 168 A HN 0.644 nan 8.150 nan 0.000 0.451 169 Y N 0.069 120.314 120.300 -0.092 0.000 2.163 169 Y HA -0.117 4.435 4.550 0.004 0.000 0.288 169 Y C 2.059 178.039 175.900 0.134 0.000 1.136 169 Y CA 1.788 59.927 58.100 0.065 0.000 1.147 169 Y CB -0.186 38.312 38.460 0.064 0.000 0.987 169 Y HN 0.268 nan 8.280 nan 0.000 0.509 170 I N -1.289 119.353 120.570 0.120 0.000 2.353 170 I HA -0.251 3.921 4.170 0.005 0.000 0.248 170 I C 2.116 178.189 176.117 -0.074 0.000 1.119 170 I CA 0.859 62.181 61.300 0.037 0.000 1.417 170 I CB -0.363 37.682 38.000 0.074 0.000 1.078 170 I HN 0.046 nan 8.210 nan 0.000 0.421 171 V N 0.622 120.431 119.914 -0.175 0.000 2.407 171 V HA -0.289 3.834 4.120 0.005 0.000 0.248 171 V C 2.262 178.377 176.094 0.036 0.000 1.055 171 V CA 1.710 63.922 62.300 -0.148 0.000 1.049 171 V CB -0.703 30.951 31.823 -0.282 0.000 0.662 171 V HN 0.361 nan 8.190 nan 0.000 0.455 172 F N 0.177 120.112 119.950 -0.025 0.000 2.095 172 F HA -0.195 4.335 4.527 0.004 0.000 0.298 172 F C 2.172 177.975 175.800 0.005 0.000 1.104 172 F CA 1.544 59.571 58.000 0.045 0.000 1.232 172 F CB -0.423 38.614 39.000 0.062 0.000 0.987 172 F HN 0.004 nan 8.300 nan 0.000 0.475 173 L N 0.010 121.125 121.223 -0.180 0.000 1.990 173 L HA -0.302 4.041 4.340 0.005 0.000 0.213 173 L C 2.515 179.229 176.870 -0.259 0.000 1.072 173 L CA 2.185 56.849 54.840 -0.294 0.000 0.755 173 L CB -0.707 41.236 42.059 -0.193 0.000 0.889 173 L HN 0.231 nan 8.230 nan 0.000 0.432 174 I N -0.813 119.669 120.570 -0.147 0.000 2.208 174 I HA -0.336 3.836 4.170 0.005 0.000 0.245 174 I C 2.425 178.493 176.117 -0.082 0.000 1.097 174 I CA 1.775 63.018 61.300 -0.095 0.000 1.363 174 I CB -0.501 37.468 38.000 -0.052 0.000 1.051 174 I HN 0.304 nan 8.210 nan 0.000 0.413 175 T N 0.897 115.408 114.554 -0.073 0.000 2.684 175 T HA -0.114 4.239 4.350 0.005 0.000 0.267 175 T C 1.172 175.819 174.700 -0.088 0.000 1.036 175 T CA 0.765 62.873 62.100 0.013 0.000 1.148 175 T CB -0.116 68.810 68.868 0.097 0.000 0.863 175 T HN 0.029 nan 8.240 nan 0.000 0.436 179 N N 1.591 120.222 118.700 -0.115 0.000 2.069 179 N HA -0.127 4.616 4.740 0.005 0.000 0.191 179 N C 1.771 177.201 175.510 -0.134 0.000 1.031 179 N CA 1.827 54.790 53.050 -0.145 0.000 0.852 179 N CB 0.176 38.604 38.487 -0.099 0.000 1.018 179 N HN 0.118 nan 8.380 nan 0.000 0.423 180 V N 1.774 121.621 119.914 -0.112 0.000 2.295 180 V HA -0.240 3.883 4.120 0.005 0.000 0.246 180 V C 2.650 178.682 176.094 -0.104 0.000 1.049 180 V CA 2.092 64.332 62.300 -0.100 0.000 1.024 180 V CB -0.752 31.011 31.823 -0.101 0.000 0.648 180 V HN 0.457 nan 8.190 nan 0.000 0.447 181 S N 0.066 115.702 115.700 -0.107 0.000 2.383 181 S HA -0.186 4.286 4.470 0.005 0.000 0.229 181 S C 1.916 176.447 174.600 -0.115 0.000 1.030 181 S CA 1.868 60.011 58.200 -0.095 0.000 1.002 181 S CB -0.672 62.483 63.200 -0.075 0.000 0.829 181 S HN 0.557 nan 8.310 nan 0.000 0.467 182 I N 1.191 121.659 120.570 -0.171 0.000 2.233 182 I HA -0.086 4.087 4.170 0.005 0.000 0.243 182 I C 2.472 178.506 176.117 -0.139 0.000 1.093 182 I CA 1.132 62.316 61.300 -0.192 0.000 1.380 182 I CB -0.392 37.396 38.000 -0.353 0.000 1.067 182 I HN 0.248 nan 8.210 nan 0.000 0.413 183 L N 0.217 121.362 121.223 -0.129 0.000 2.141 183 L HA -0.170 4.173 4.340 0.005 0.000 0.209 183 L C 2.461 179.267 176.870 -0.107 0.000 1.094 183 L CA 1.192 55.968 54.840 -0.107 0.000 0.763 183 L CB -0.244 41.769 42.059 -0.076 0.000 0.908 183 L HN 0.262 nan 8.230 nan 0.000 0.437 184 I N -0.407 120.104 120.570 -0.098 0.000 2.676 184 I HA -0.204 3.969 4.170 0.005 0.000 0.259 184 I C 2.245 178.301 176.117 -0.102 0.000 1.194 184 I CA 0.837 62.082 61.300 -0.092 0.000 1.473 184 I CB -0.001 37.950 38.000 -0.081 0.000 1.096 184 I HN 0.208 nan 8.210 nan 0.000 0.443 185 R N 0.832 121.270 120.500 -0.103 0.000 2.299 185 R HA 0.174 4.517 4.340 0.005 0.000 0.197 185 R C 0.930 177.147 176.300 -0.140 0.000 0.971 185 R CA 0.528 56.566 56.100 -0.103 0.000 1.030 185 R CB -0.004 30.249 30.300 -0.078 0.000 0.932 185 R HN 0.496 nan 8.270 nan 0.000 0.477 186 G N 0.692 109.387 108.800 -0.175 0.000 2.627 186 G HA2 -0.234 3.729 3.960 0.005 0.000 0.214 186 G HA3 -0.234 3.729 3.960 0.005 0.000 0.214 186 G C 0.386 175.083 174.900 -0.340 0.000 1.331 186 G CA -0.554 44.389 45.100 -0.262 0.000 0.891 186 G HN -0.055 nan 8.290 nan 0.000 0.539 187 I N 1.217 121.467 120.570 -0.533 0.000 2.110 187 I HA -0.099 4.074 4.170 0.005 0.000 0.236 187 I C 3.231 179.057 176.117 -0.484 0.000 1.068 187 I CA 2.977 63.813 61.300 -0.773 0.000 1.333 187 I CB -1.742 35.463 38.000 -1.326 0.000 1.054 187 I HN 0.912 nan 8.210 nan 0.000 0.402 188 S N 0.911 116.394 115.700 -0.362 0.000 2.362 188 S HA -0.087 4.386 4.470 0.005 0.000 0.221 188 S C 1.836 176.394 174.600 -0.070 0.000 1.032 188 S CA 0.585 58.702 58.200 -0.137 0.000 0.973 188 S CB -0.447 62.702 63.200 -0.085 0.000 0.849 188 S HN 0.373 nan 8.310 nan 0.000 0.465 189 K N 1.185 121.526 120.400 -0.099 0.000 2.432 189 K HA 0.170 4.493 4.320 0.005 0.000 0.196 189 K C 1.813 178.389 176.600 -0.039 0.000 1.038 189 K CA 0.727 56.982 56.287 -0.054 0.000 0.986 189 K CB -0.106 32.358 32.500 -0.060 0.000 0.782 189 K HN 0.555 nan 8.250 nan 0.000 0.485 190 G N 0.817 109.576 108.800 -0.068 0.000 2.613 190 G HA2 0.028 3.991 3.960 0.005 0.000 0.218 190 G HA3 0.028 3.991 3.960 0.005 0.000 0.218 190 G C 1.310 176.217 174.900 0.011 0.000 1.508 190 G CA -0.303 44.768 45.100 -0.049 0.000 0.788 190 G HN -0.027 nan 8.290 nan 0.000 0.603 191 I N 0.816 121.369 120.570 -0.028 0.000 2.179 191 I HA -0.101 4.071 4.170 0.005 0.000 0.242 191 I C 2.676 178.894 176.117 0.169 0.000 1.088 191 I CA 1.514 62.851 61.300 0.062 0.000 1.357 191 I CB -0.122 37.870 38.000 -0.014 0.000 1.051 191 I HN 0.333 nan 8.210 nan 0.000 0.409 192 E N 1.169 121.473 120.200 0.173 0.000 2.028 192 E HA -0.185 4.168 4.350 0.005 0.000 0.190 192 E C 2.438 179.105 176.600 0.112 0.000 0.984 192 E CA 0.826 57.351 56.400 0.210 0.000 0.800 192 E CB 0.094 29.978 29.700 0.306 0.000 0.758 192 E HN 0.318 nan 8.360 nan 0.000 0.448 193 R N -0.272 120.281 120.500 0.089 0.000 2.091 193 R HA -0.174 4.169 4.340 0.005 0.000 0.238 193 R C 2.376 178.720 176.300 0.073 0.000 1.136 193 R CA 1.531 57.672 56.100 0.068 0.000 0.959 193 R CB -0.560 29.778 30.300 0.062 0.000 0.856 193 R HN 0.249 nan 8.270 nan 0.000 0.437 194 F N 1.496 121.431 119.950 -0.025 0.000 2.102 194 F HA -0.179 4.351 4.527 0.004 0.000 0.298 194 F C 2.350 178.106 175.800 -0.073 0.000 1.105 194 F CA 1.349 59.311 58.000 -0.064 0.000 1.239 194 F CB -0.499 38.437 39.000 -0.107 0.000 0.991 194 F HN -0.001 nan 8.300 nan 0.000 0.474 195 A N 0.198 122.983 122.820 -0.060 0.000 1.948 195 A HA -0.252 4.071 4.320 0.005 0.000 0.220 195 A C 2.227 179.708 177.584 -0.172 0.000 1.177 195 A CA 2.024 53.978 52.037 -0.137 0.000 0.636 195 A CB -0.729 18.271 19.000 -0.001 0.000 0.815 195 A HN 0.503 nan 8.150 nan 0.000 0.449 196 K N -0.894 119.441 120.400 -0.108 0.000 2.211 196 K HA 0.048 4.370 4.320 0.005 0.000 0.203 196 K C 1.590 178.136 176.600 -0.090 0.000 1.050 196 K CA 1.183 57.426 56.287 -0.073 0.000 0.945 196 K CB -0.208 32.276 32.500 -0.027 0.000 0.732 196 K HN 0.549 nan 8.250 nan 0.000 0.451 197 I N 0.447 120.920 120.570 -0.162 0.000 2.400 197 I HA -0.142 4.031 4.170 0.005 0.000 0.248 197 I C 2.351 178.373 176.117 -0.158 0.000 1.109 197 I CA 0.719 61.940 61.300 -0.133 0.000 1.425 197 I CB -0.074 37.845 38.000 -0.135 0.000 1.094 197 I HN 0.062 nan 8.210 nan 0.000 0.425 198 A N 0.482 123.021 122.820 -0.468 0.000 1.930 198 A HA -0.092 4.231 4.320 0.005 0.000 0.215 198 A C 2.270 179.822 177.584 -0.053 0.000 1.176 198 A CA 1.049 52.834 52.037 -0.420 0.000 0.632 198 A CB -0.277 17.998 19.000 -1.207 0.000 0.819 198 A HN 0.202 nan 8.150 nan 0.000 0.445 199 M N -0.381 119.168 119.600 -0.085 0.000 2.132 199 M HA -0.027 4.456 4.480 0.005 0.000 0.263 199 M C -0.661 175.700 176.300 0.103 0.000 1.065 199 M CA 1.189 56.504 55.300 0.025 0.000 1.122 199 M CB -2.358 30.239 32.600 -0.006 0.000 1.365 199 M HN 0.151 nan 8.290 nan 0.000 0.411 200 P HA -0.034 nan 4.420 nan 0.000 0.219 200 P C 1.441 178.859 177.300 0.197 0.000 1.150 200 P CA 1.324 64.508 63.100 0.140 0.000 0.814 200 P CB -0.383 31.364 31.700 0.079 0.000 0.787 201 T N 0.234 114.890 114.554 0.169 0.000 2.746 201 T HA -0.120 4.232 4.350 0.005 0.000 0.267 201 T C 1.772 176.563 174.700 0.152 0.000 1.039 201 T CA 0.847 63.049 62.100 0.171 0.000 1.142 201 T CB -0.953 68.055 68.868 0.233 0.000 0.866 201 T HN 0.059 nan 8.240 nan 0.000 0.444 202 L N 0.073 121.407 121.223 0.184 0.000 2.017 202 L HA -0.047 4.296 4.340 0.005 0.000 0.208 202 L C 2.259 179.216 176.870 0.145 0.000 1.073 202 L CA 1.547 56.465 54.840 0.130 0.000 0.745 202 L CB -0.371 41.783 42.059 0.158 0.000 0.894 202 L HN 0.208 nan 8.230 nan 0.000 0.432 203 F N 0.494 120.487 119.950 0.071 0.000 2.102 203 F HA -0.255 4.274 4.527 0.005 0.000 0.298 203 F C 2.114 177.956 175.800 0.070 0.000 1.105 203 F CA 1.905 59.952 58.000 0.078 0.000 1.239 203 F CB -0.270 38.768 39.000 0.062 0.000 0.991 203 F HN 0.005 nan 8.300 nan 0.000 0.474 204 I N -0.001 120.598 120.570 0.048 0.000 2.179 204 I HA -0.339 3.834 4.170 0.005 0.000 0.242 204 I C 2.416 178.494 176.117 -0.065 0.000 1.088 204 I CA 1.411 62.684 61.300 -0.046 0.000 1.357 204 I CB -0.588 37.452 38.000 0.067 0.000 1.051 204 I HN 0.194 nan 8.210 nan 0.000 0.409 205 L N 0.350 121.554 121.223 -0.032 0.000 2.046 205 L HA -0.209 4.133 4.340 0.005 0.000 0.208 205 L C 2.810 179.672 176.870 -0.015 0.000 1.077 205 L CA 1.389 56.212 54.840 -0.027 0.000 0.747 205 L CB -0.680 41.339 42.059 -0.067 0.000 0.896 205 L HN 0.251 nan 8.230 nan 0.000 0.432 206 A N -0.614 122.160 122.820 -0.078 0.000 1.898 206 A HA -0.124 4.199 4.320 0.005 0.000 0.216 206 A C 2.324 179.846 177.584 -0.104 0.000 1.181 206 A CA 1.543 53.551 52.037 -0.048 0.000 0.620 206 A CB -0.721 18.316 19.000 0.061 0.000 0.819 206 A HN 0.181 nan 8.150 nan 0.000 0.442 207 V N -1.228 118.538 119.914 -0.248 0.000 2.358 207 V HA -0.218 3.905 4.120 0.005 0.000 0.246 207 V C 2.247 178.249 176.094 -0.152 0.000 1.047 207 V CA 2.013 64.142 62.300 -0.286 0.000 1.035 207 V CB -0.923 30.614 31.823 -0.477 0.000 0.658 207 V HN 0.624 nan 8.190 nan 0.000 0.452 208 F N 0.388 120.223 119.950 -0.191 0.000 2.120 208 F HA -0.247 4.283 4.527 0.006 0.000 0.300 208 F C 2.031 177.744 175.800 -0.144 0.000 1.095 208 F CA 1.827 59.746 58.000 -0.136 0.000 1.249 208 F CB -0.253 38.688 39.000 -0.097 0.000 0.995 208 F HN 0.040 nan 8.300 nan 0.000 0.480 209 L N -1.021 120.162 121.223 -0.066 0.000 2.056 209 L HA -0.207 4.136 4.340 0.005 0.000 0.207 209 L C 2.388 179.109 176.870 -0.249 0.000 1.078 209 L CA 0.915 55.668 54.840 -0.146 0.000 0.749 209 L CB -0.772 41.307 42.059 0.033 0.000 0.901 209 L HN -0.017 nan 8.230 nan 0.000 0.433 210 V N 0.259 120.011 119.914 -0.269 0.000 2.332 210 V HA -0.319 3.803 4.120 0.005 0.000 0.248 210 V C 2.304 178.022 176.094 -0.626 0.000 1.055 210 V CA 1.953 63.964 62.300 -0.481 0.000 1.038 210 V CB -0.338 31.160 31.823 -0.542 0.000 0.651 210 V HN 0.321 nan 8.190 nan 0.000 0.450 211 I N -0.354 119.931 120.570 -0.475 0.000 2.226 211 I HA -0.253 3.920 4.170 0.005 0.000 0.245 211 I C 2.710 178.649 176.117 -0.297 0.000 1.100 211 I CA 1.713 62.804 61.300 -0.349 0.000 1.374 211 I CB -0.356 37.471 38.000 -0.288 0.000 1.057 211 I HN 0.225 nan 8.210 nan 0.000 0.413 212 R N 0.921 121.148 120.500 -0.454 0.000 2.081 212 R HA -0.114 4.228 4.340 0.005 0.000 0.235 212 R C 2.101 178.293 176.300 -0.180 0.000 1.131 212 R CA 1.546 57.411 56.100 -0.392 0.000 0.960 212 R CB -0.751 29.191 30.300 -0.596 0.000 0.856 212 R HN 0.127 nan 8.270 nan 0.000 0.436 213 V N 0.504 120.335 119.914 -0.138 0.000 2.407 213 V HA -0.211 3.911 4.120 0.005 0.000 0.248 213 V C 1.948 178.159 176.094 0.195 0.000 1.055 213 V CA 1.618 63.941 62.300 0.039 0.000 1.049 213 V CB -0.667 31.187 31.823 0.052 0.000 0.662 213 V HN 0.235 nan 8.190 nan 0.000 0.455 214 F N -0.193 119.725 119.950 -0.054 0.000 2.333 214 F HA -0.063 4.468 4.527 0.008 0.000 0.300 214 F C 1.932 177.711 175.800 -0.035 0.000 1.083 214 F CA 0.773 58.753 58.000 -0.033 0.000 1.395 214 F CB -0.837 38.143 39.000 -0.034 0.000 1.056 214 F HN 0.155 nan 8.300 nan 0.000 0.529 215 L N -0.625 120.671 121.223 0.122 0.000 2.599 215 L HA 0.027 4.369 4.340 0.005 0.000 0.230 215 L C 0.584 177.480 176.870 0.043 0.000 1.141 215 L CA -0.008 54.862 54.840 0.050 0.000 0.877 215 L CB -0.406 41.655 42.059 0.004 0.000 1.009 215 L HN -0.109 nan 8.230 nan 0.000 0.447 216 L N 0.794 122.062 121.223 0.076 0.000 2.380 216 L HA 0.217 4.560 4.340 0.005 0.000 0.273 216 L C 0.121 177.008 176.870 0.029 0.000 1.138 216 L CA 0.391 55.288 54.840 0.094 0.000 0.832 216 L CB 0.828 43.005 42.059 0.197 0.000 1.124 216 L HN 0.102 nan 8.230 nan 0.000 0.454 217 E N 1.795 121.974 120.200 -0.034 0.000 2.321 217 E HA 0.433 4.785 4.350 0.005 0.000 0.281 217 E C -1.298 175.176 176.600 -0.211 0.000 0.910 217 E CA -0.495 55.844 56.400 -0.101 0.000 0.770 217 E CB 2.052 31.709 29.700 -0.072 0.000 1.225 217 E HN 0.656 nan 8.360 nan 0.000 0.417 218 T N 0.283 114.672 114.554 -0.275 0.000 2.864 218 T HA 0.489 4.842 4.350 0.005 0.000 0.289 218 T C -2.147 172.409 174.700 -0.240 0.000 1.082 218 T CA -1.566 60.310 62.100 -0.373 0.000 1.009 218 T CB 1.285 69.735 68.868 -0.696 0.000 1.234 218 T HN 0.186 nan 8.240 nan 0.000 0.526 219 P HA -0.007 nan 4.420 nan 0.000 0.220 219 P C 0.858 178.080 177.300 -0.130 0.000 1.144 219 P CA 0.850 63.863 63.100 -0.144 0.000 0.800 219 P CB -0.017 31.609 31.700 -0.123 0.000 0.772 220 N N -1.120 117.481 118.700 -0.164 0.000 2.336 220 N HA 0.194 4.937 4.740 0.005 0.000 0.189 220 N C 1.041 176.493 175.510 -0.097 0.000 1.113 220 N CA 0.811 53.793 53.050 -0.113 0.000 0.858 220 N CB 0.784 39.212 38.487 -0.099 0.000 0.970 220 N HN 0.166 nan 8.380 nan 0.000 0.471 221 G N -0.458 108.275 108.800 -0.113 0.000 2.356 221 G HA2 0.210 4.172 3.960 0.005 0.000 0.300 221 G HA3 0.210 4.172 3.960 0.005 0.000 0.300 221 G C -1.174 173.676 174.900 -0.085 0.000 1.331 221 G CA -0.375 44.676 45.100 -0.082 0.000 0.905 221 G HN 0.144 nan 8.290 nan 0.000 0.587 222 T N -2.759 111.761 114.554 -0.056 0.000 2.907 222 T HA 0.762 5.114 4.350 0.005 0.000 0.290 222 T C 1.636 176.322 174.700 -0.024 0.000 1.066 222 T CA 0.638 62.711 62.100 -0.045 0.000 1.012 222 T CB 1.578 70.412 68.868 -0.056 0.000 1.184 222 T HN 2.075 nan 8.240 nan 0.000 0.522 223 A N 0.696 123.509 122.820 -0.010 0.000 1.940 223 A HA 0.186 4.509 4.320 0.005 0.000 0.219 223 A C 2.597 180.135 177.584 -0.077 0.000 1.176 223 A CA 2.197 54.237 52.037 0.006 0.000 0.631 223 A CB -1.613 17.433 19.000 0.076 0.000 0.814 223 A HN 1.374 nan 8.150 nan 0.000 0.446 224 A N 0.458 123.192 122.820 -0.143 0.000 1.892 224 A HA -0.263 4.060 4.320 0.005 0.000 0.218 224 A C 1.707 179.264 177.584 -0.046 0.000 1.188 224 A CA 2.047 53.995 52.037 -0.148 0.000 0.631 224 A CB -0.766 18.155 19.000 -0.133 0.000 0.822 224 A HN 0.487 nan 8.150 nan 0.000 0.447 225 D N -0.416 119.972 120.400 -0.020 0.000 2.190 225 D HA -0.112 4.531 4.640 0.005 0.000 0.200 225 D C 1.933 178.278 176.300 0.074 0.000 0.992 225 D CA 1.461 55.472 54.000 0.019 0.000 0.854 225 D CB -0.663 40.135 40.800 -0.003 0.000 0.936 225 D HN 0.494 nan 8.370 nan 0.000 0.462 226 G N 0.395 109.239 108.800 0.072 0.000 2.396 226 G HA2 -0.113 3.849 3.960 0.005 0.000 0.214 226 G HA3 -0.113 3.849 3.960 0.005 0.000 0.214 226 G C 1.788 176.813 174.900 0.207 0.000 1.166 226 G CA 0.056 45.238 45.100 0.136 0.000 0.793 226 G HN 0.239 nan 8.290 nan 0.000 0.533 227 L N 0.767 122.089 121.223 0.165 0.000 2.012 227 L HA -0.137 4.206 4.340 0.005 0.000 0.210 227 L C 2.757 179.786 176.870 0.264 0.000 1.073 227 L CA 1.084 56.078 54.840 0.256 0.000 0.748 227 L CB -0.488 41.668 42.059 0.161 0.000 0.891 227 L HN 0.134 nan 8.230 nan 0.000 0.431 228 N N -0.056 118.744 118.700 0.166 0.000 2.104 228 N HA -0.235 4.507 4.740 0.005 0.000 0.190 228 N C 1.744 177.339 175.510 0.142 0.000 1.024 228 N CA 1.406 54.542 53.050 0.143 0.000 0.853 228 N CB -0.494 38.047 38.487 0.090 0.000 1.008 228 N HN 0.243 nan 8.380 nan 0.000 0.424 229 F N 1.466 121.422 119.950 0.009 0.000 2.126 229 F HA -0.139 4.389 4.527 0.001 0.000 0.299 229 F C 2.087 177.841 175.800 -0.077 0.000 1.096 229 F CA 0.962 58.941 58.000 -0.035 0.000 1.255 229 F CB -0.397 38.574 39.000 -0.049 0.000 0.997 229 F HN -0.022 nan 8.300 nan 0.000 0.479 230 L N -1.256 119.812 121.223 -0.259 0.000 2.162 230 L HA -0.015 4.328 4.340 0.005 0.000 0.205 230 L C 1.249 177.788 176.870 -0.551 0.000 1.086 230 L CA 1.572 56.074 54.840 -0.564 0.000 0.778 230 L CB -0.734 41.062 42.059 -0.438 0.000 0.928 230 L HN 0.224 nan 8.230 nan 0.000 0.446 231 W N -0.682 120.545 121.300 -0.122 0.000 3.330 231 W HA 0.267 4.928 4.660 0.001 0.000 0.348 231 W C 0.203 176.660 176.519 -0.104 0.000 1.205 231 W CA -0.337 56.958 57.345 -0.083 0.000 1.841 231 W CB 0.220 29.663 29.460 -0.030 0.000 1.084 231 W HN -0.145 nan 8.180 nan 0.000 0.665 232 T N 3.124 117.679 114.554 0.002 0.000 2.788 232 T HA 0.227 4.580 4.350 0.005 0.000 0.296 232 T C -2.312 172.287 174.700 -0.168 0.000 1.009 232 T CA -1.573 60.503 62.100 -0.041 0.000 0.949 232 T CB 1.321 70.177 68.868 -0.020 0.000 0.946 232 T HN -0.351 nan 8.240 nan 0.000 0.453 233 P HA 0.240 nan 4.420 nan 0.000 0.271 233 P C -0.782 176.175 177.300 -0.572 0.000 1.216 233 P CA -0.216 62.593 63.100 -0.485 0.000 0.776 233 P CB 0.652 31.919 31.700 -0.722 0.000 0.881 234 D N 2.181 122.272 120.400 -0.515 0.000 2.446 234 D HA 0.205 4.848 4.640 0.005 0.000 0.251 234 D C 0.078 176.217 176.300 -0.268 0.000 1.137 234 D CA -0.640 53.170 54.000 -0.318 0.000 0.890 234 D CB 0.002 40.701 40.800 -0.169 0.000 1.071 234 D HN 0.020 nan 8.370 nan 0.000 0.528 235 F N 1.592 121.556 119.950 0.022 0.000 2.604 235 F HA 0.060 4.588 4.527 0.002 0.000 0.298 235 F C 2.017 177.848 175.800 0.050 0.000 1.131 235 F CA 0.338 58.362 58.000 0.039 0.000 1.457 235 F CB -0.154 38.873 39.000 0.045 0.000 1.095 235 F HN 0.409 nan 8.300 nan 0.000 0.574 236 E N 0.529 120.827 120.200 0.164 0.000 2.070 236 E HA -0.228 4.125 4.350 0.005 0.000 0.197 236 E C 1.889 178.560 176.600 0.118 0.000 1.004 236 E CA 1.351 57.823 56.400 0.120 0.000 0.805 236 E CB -0.169 29.575 29.700 0.073 0.000 0.744 236 E HN 0.287 nan 8.360 nan 0.000 0.451 237 K N 0.458 120.910 120.400 0.087 0.000 2.365 237 K HA 0.044 4.367 4.320 0.005 0.000 0.197 237 K C 1.968 178.648 176.600 0.133 0.000 1.042 237 K CA 0.172 56.505 56.287 0.077 0.000 0.987 237 K CB 0.089 32.595 32.500 0.011 0.000 0.779 237 K HN 0.219 nan 8.250 nan 0.000 0.484 238 L N 0.818 122.151 121.223 0.184 0.000 2.450 238 L HA -0.201 4.141 4.340 0.005 0.000 0.225 238 L C 1.512 178.659 176.870 0.462 0.000 1.145 238 L CA 1.237 56.290 54.840 0.356 0.000 0.801 238 L CB -0.308 41.973 42.059 0.369 0.000 0.924 238 L HN 0.066 nan 8.230 nan 0.000 0.447 239 K N -0.871 119.699 120.400 0.283 0.000 2.334 239 K HA 0.030 4.353 4.320 0.005 0.000 0.195 239 K C 0.459 177.180 176.600 0.201 0.000 1.045 239 K CA -0.004 56.407 56.287 0.207 0.000 1.004 239 K CB 0.037 32.615 32.500 0.131 0.000 0.837 239 K HN 0.000 nan 8.250 nan 0.000 0.510 240 D N 0.912 121.444 120.400 0.220 0.000 2.339 240 D HA 0.036 4.678 4.640 0.005 0.000 0.256 240 D C -1.875 174.590 176.300 0.276 0.000 1.214 240 D CA -2.094 52.018 54.000 0.187 0.000 0.877 240 D CB 1.369 42.249 40.800 0.132 0.000 1.111 240 D HN -0.089 nan 8.370 nan 0.000 0.478 241 P HA -0.033 nan 4.420 nan 0.000 0.221 241 P C 1.281 178.682 177.300 0.169 0.000 1.145 241 P CA 0.740 63.951 63.100 0.185 0.000 0.795 241 P CB 0.226 31.985 31.700 0.097 0.000 0.775 242 G N -0.046 108.835 108.800 0.135 0.000 2.402 242 G HA2 -0.208 3.754 3.960 0.005 0.000 0.216 242 G HA3 -0.208 3.754 3.960 0.005 0.000 0.216 242 G C 1.614 176.517 174.900 0.005 0.000 1.162 242 G CA 0.605 45.718 45.100 0.023 0.000 0.777 242 G HN 0.148 nan 8.290 nan 0.000 0.539 243 V N -0.116 119.833 119.914 0.058 0.000 2.255 243 V HA -0.212 3.910 4.120 0.005 0.000 0.247 243 V C 2.482 178.539 176.094 -0.063 0.000 1.051 243 V CA 1.993 64.296 62.300 0.005 0.000 1.018 243 V CB -0.751 31.028 31.823 -0.074 0.000 0.641 243 V HN 0.574 nan 8.190 nan 0.000 0.445 244 W N -0.091 121.188 121.300 -0.035 0.000 2.318 244 W HA -0.169 4.494 4.660 0.005 0.000 0.313 244 W C 2.335 178.789 176.519 -0.109 0.000 1.221 244 W CA 1.409 58.722 57.345 -0.054 0.000 1.266 244 W CB -0.660 28.763 29.460 -0.061 0.000 1.150 244 W HN 0.174 nan 8.180 nan 0.000 0.496 245 I N -0.042 120.524 120.570 -0.007 0.000 2.226 245 I HA -0.312 3.861 4.170 0.005 0.000 0.245 245 I C 2.592 178.588 176.117 -0.201 0.000 1.100 245 I CA 1.392 62.505 61.300 -0.311 0.000 1.374 245 I CB -1.032 36.573 38.000 -0.658 0.000 1.057 245 I HN -0.021 nan 8.210 nan 0.000 0.413 246 A N 0.861 123.644 122.820 -0.061 0.000 1.851 246 A HA -0.221 4.102 4.320 0.005 0.000 0.216 246 A C 2.571 180.325 177.584 0.282 0.000 1.195 246 A CA 2.152 54.266 52.037 0.130 0.000 0.622 246 A CB -1.117 18.008 19.000 0.208 0.000 0.831 246 A HN 0.418 nan 8.150 nan 0.000 0.444 247 A N -0.733 122.148 122.820 0.102 0.000 1.883 247 A HA -0.053 4.269 4.320 0.005 0.000 0.217 247 A C 2.267 179.938 177.584 0.144 0.000 1.186 247 A CA 2.063 54.025 52.037 -0.125 0.000 0.624 247 A CB -1.065 17.637 19.000 -0.497 0.000 0.822 247 A HN 0.458 nan 8.150 nan 0.000 0.444 248 V N -0.147 119.896 119.914 0.215 0.000 2.358 248 V HA -0.154 3.969 4.120 0.005 0.000 0.246 248 V C 2.834 179.229 176.094 0.501 0.000 1.047 248 V CA 1.898 64.422 62.300 0.372 0.000 1.035 248 V CB -1.508 30.573 31.823 0.429 0.000 0.658 248 V HN 0.623 nan 8.190 nan 0.000 0.452 249 G N -0.724 108.313 108.800 0.395 0.000 2.442 249 G HA2 -0.369 3.594 3.960 0.005 0.000 0.219 249 G HA3 -0.369 3.594 3.960 0.005 0.000 0.219 249 G C 1.522 176.738 174.900 0.527 0.000 1.141 249 G CA 1.182 46.565 45.100 0.472 0.000 0.763 249 G HN 0.511 nan 8.290 nan 0.000 0.554 250 Q N 0.242 120.329 119.800 0.479 0.000 2.084 250 Q HA -0.064 4.279 4.340 0.005 0.000 0.202 250 Q C 2.462 178.783 176.000 0.535 0.000 0.978 250 Q CA 1.052 57.180 55.803 0.542 0.000 0.844 250 Q CB -0.353 28.794 28.738 0.682 0.000 0.898 250 Q HN 0.375 nan 8.270 nan 0.000 0.426 251 I N 0.025 120.836 120.570 0.401 0.000 2.151 251 I HA -0.263 3.910 4.170 0.005 0.000 0.243 251 I C 2.010 178.290 176.117 0.271 0.000 1.080 251 I CA 1.469 62.900 61.300 0.218 0.000 1.339 251 I CB -1.150 36.879 38.000 0.049 0.000 1.039 251 I HN 0.226 nan 8.210 nan 0.000 0.409 252 F N 0.144 120.273 119.950 0.298 0.000 2.075 252 F HA -0.264 4.265 4.527 0.004 0.000 0.297 252 F C 2.534 178.606 175.800 0.453 0.000 1.113 252 F CA 1.770 59.966 58.000 0.326 0.000 1.218 252 F CB -0.820 38.367 39.000 0.312 0.000 0.984 252 F HN -0.079 nan 8.300 nan 0.000 0.472 253 F N 0.148 120.456 119.950 0.598 0.000 2.095 253 F HA -0.264 4.266 4.527 0.005 0.000 0.298 253 F C 2.726 178.707 175.800 0.302 0.000 1.104 253 F CA 2.164 60.489 58.000 0.542 0.000 1.232 253 F CB -0.841 38.429 39.000 0.449 0.000 0.987 253 F HN -0.114 nan 8.300 nan 0.000 0.475 254 T N -0.062 114.788 114.554 0.493 0.000 2.867 254 T HA -0.074 4.279 4.350 0.005 0.000 0.268 254 T C 1.760 176.528 174.700 0.113 0.000 1.057 254 T CA 1.222 63.501 62.100 0.299 0.000 1.136 254 T CB -0.323 68.725 68.868 0.300 0.000 0.874 254 T HN 0.234 nan 8.240 nan 0.000 0.466 255 L N 0.826 122.120 121.223 0.118 0.000 2.592 255 L HA 0.240 4.582 4.340 0.005 0.000 0.227 255 L C 0.891 177.762 176.870 0.001 0.000 1.127 255 L CA -0.008 54.861 54.840 0.049 0.000 0.884 255 L CB -0.054 42.034 42.059 0.049 0.000 1.065 255 L HN 0.148 nan 8.230 nan 0.000 0.457 256 S N 0.451 116.119 115.700 -0.053 0.000 3.641 256 S HA -0.165 4.308 4.470 0.005 0.000 0.346 256 S C 0.179 174.929 174.600 0.251 0.000 1.074 256 S CA 0.386 58.479 58.200 -0.179 0.000 1.026 256 S CB -1.952 61.039 63.200 -0.349 0.000 0.908 256 S HN 0.285 nan 8.310 nan 0.000 0.479 257 L N 0.419 121.886 121.223 0.407 0.000 2.312 257 L HA 0.621 4.964 4.340 0.005 0.000 0.281 257 L C 1.432 178.659 176.870 0.594 0.000 1.070 257 L CA 0.410 55.461 54.840 0.352 0.000 0.805 257 L CB 1.047 43.118 42.059 0.020 0.000 1.174 257 L HN 0.456 nan 8.230 nan 0.000 0.434 258 G N 1.976 111.062 108.800 0.476 0.000 2.157 258 G HA2 -0.300 3.662 3.960 0.005 0.000 0.248 258 G HA3 -0.300 3.662 3.960 0.005 0.000 0.248 258 G C 0.209 175.261 174.900 0.253 0.000 0.979 258 G CA -0.010 45.360 45.100 0.449 0.000 0.650 258 G HN 0.556 nan 8.290 nan 0.000 0.529 259 F N 0.440 120.532 119.950 0.236 0.000 2.688 259 F HA 0.431 4.960 4.527 0.004 0.000 0.310 259 F C 2.025 177.848 175.800 0.038 0.000 1.098 259 F CA 0.522 58.563 58.000 0.068 0.000 1.228 259 F CB 0.945 39.912 39.000 -0.055 0.000 1.042 259 F HN 0.586 nan 8.300 nan 0.000 0.557 260 G N 0.783 109.777 108.800 0.323 0.000 2.196 260 G HA2 -0.417 3.546 3.960 0.005 0.000 0.268 260 G HA3 -0.417 3.546 3.960 0.005 0.000 0.268 260 G C 1.350 176.311 174.900 0.102 0.000 0.975 260 G CA 0.697 45.925 45.100 0.215 0.000 0.648 260 G HN 0.528 nan 8.290 nan 0.000 0.538 261 A N 0.046 122.900 122.820 0.055 0.000 1.903 261 A HA 0.416 4.739 4.320 0.005 0.000 0.213 261 A C 2.308 179.777 177.584 -0.191 0.000 1.185 261 A CA 1.644 53.616 52.037 -0.110 0.000 0.628 261 A CB -0.208 18.641 19.000 -0.253 0.000 0.830 261 A HN 0.434 nan 8.150 nan 0.000 0.446 262 I N 0.342 120.825 120.570 -0.146 0.000 2.286 262 I HA -0.210 3.963 4.170 0.005 0.000 0.248 262 I C 2.362 178.391 176.117 -0.147 0.000 1.115 262 I CA 1.203 62.379 61.300 -0.206 0.000 1.392 262 I CB -1.115 36.810 38.000 -0.126 0.000 1.065 262 I HN 0.302 nan 8.210 nan 0.000 0.418 263 I N 0.486 121.038 120.570 -0.031 0.000 2.142 263 I HA -0.307 3.866 4.170 0.005 0.000 0.240 263 I C 2.513 178.627 176.117 -0.004 0.000 1.078 263 I CA 1.618 62.916 61.300 -0.003 0.000 1.343 263 I CB -0.577 37.455 38.000 0.053 0.000 1.046 263 I HN 0.190 nan 8.210 nan 0.000 0.405 264 T N -0.212 114.365 114.554 0.038 0.000 2.708 264 T HA -0.194 4.159 4.350 0.005 0.000 0.266 264 T C 1.850 176.656 174.700 0.177 0.000 1.037 264 T CA 1.384 63.524 62.100 0.067 0.000 1.146 264 T CB -0.379 68.574 68.868 0.141 0.000 0.865 264 T HN 0.158 nan 8.240 nan 0.000 0.435 265 Y N 1.581 121.935 120.300 0.090 0.000 2.165 265 Y HA -0.030 4.523 4.550 0.005 0.000 0.286 265 Y C 2.707 178.749 175.900 0.237 0.000 1.155 265 Y CA 0.231 58.520 58.100 0.316 0.000 1.164 265 Y CB -1.135 37.423 38.460 0.162 0.000 0.978 265 Y HN 0.217 nan 8.280 nan 0.000 0.513 266 A N -0.748 122.101 122.820 0.049 0.000 2.121 266 A HA -0.126 4.197 4.320 0.005 0.000 0.218 266 A C 2.338 179.963 177.584 0.069 0.000 1.154 266 A CA 1.518 53.537 52.037 -0.030 0.000 0.679 266 A CB -0.916 17.995 19.000 -0.147 0.000 0.795 266 A HN 0.454 nan 8.150 nan 0.000 0.458 267 S N -1.638 114.001 115.700 -0.103 0.000 2.561 267 S HA -0.040 4.433 4.470 0.005 0.000 0.225 267 S C 1.157 175.482 174.600 -0.458 0.000 0.977 267 S CA 0.613 58.638 58.200 -0.291 0.000 0.926 267 S CB -0.646 62.287 63.200 -0.445 0.000 0.769 267 S HN 0.566 nan 8.310 nan 0.000 0.533 268 Y N 1.160 121.505 120.300 0.074 0.000 2.457 268 Y HA 0.453 5.005 4.550 0.004 0.000 0.263 268 Y C 0.664 176.742 175.900 0.298 0.000 1.164 268 Y CA -0.940 57.119 58.100 -0.068 0.000 1.274 268 Y CB -0.179 37.888 38.460 -0.654 0.000 1.097 268 Y HN 0.085 nan 8.280 nan 0.000 0.523 269 V N 2.306 122.524 119.914 0.507 0.000 2.555 269 V HA 0.110 4.233 4.120 0.005 0.000 0.286 269 V C 0.610 176.885 176.094 0.301 0.000 1.044 269 V CA -1.036 61.553 62.300 0.480 0.000 1.026 269 V CB 0.557 32.616 31.823 0.394 0.000 0.981 269 V HN 0.233 nan 8.190 nan 0.000 0.480 270 R N 3.062 123.647 120.500 0.140 0.000 2.640 270 R HA 0.004 4.347 4.340 0.005 0.000 0.270 270 R C 1.593 177.915 176.300 0.037 0.000 1.024 270 R CA -0.086 55.965 56.100 -0.082 0.000 1.085 270 R CB 0.381 30.545 30.300 -0.225 0.000 0.963 270 R HN 0.692 nan 8.270 nan 0.000 0.426 271 K N 2.156 122.572 120.400 0.027 0.000 2.228 271 K HA -0.239 4.083 4.320 0.005 0.000 0.205 271 K C 0.724 177.360 176.600 0.059 0.000 1.045 271 K CA 2.237 58.559 56.287 0.058 0.000 0.931 271 K CB 0.099 32.622 32.500 0.039 0.000 0.727 271 K HN 0.678 nan 8.250 nan 0.000 0.458 272 D N -0.359 120.062 120.400 0.034 0.000 2.301 272 D HA -0.139 4.504 4.640 0.005 0.000 0.206 272 D C 0.694 177.017 176.300 0.038 0.000 0.979 272 D CA 0.067 54.085 54.000 0.029 0.000 0.874 272 D CB -0.258 40.548 40.800 0.010 0.000 0.968 272 D HN 0.367 nan 8.370 nan 0.000 0.510 273 Q N 2.007 121.841 119.800 0.056 0.000 2.352 273 Q HA -0.010 4.332 4.340 0.005 0.000 0.260 273 Q C 0.059 176.104 176.000 0.075 0.000 0.976 273 Q CA -0.521 55.322 55.803 0.067 0.000 0.881 273 Q CB 1.024 29.818 28.738 0.094 0.000 1.235 273 Q HN 0.038 nan 8.270 nan 0.000 0.419 274 D N 3.458 123.883 120.400 0.042 0.000 2.472 274 D HA -0.078 4.564 4.640 0.005 0.000 0.237 274 D C 0.564 176.881 176.300 0.028 0.000 1.141 274 D CA 0.412 54.416 54.000 0.007 0.000 0.875 274 D CB 0.550 41.334 40.800 -0.028 0.000 1.192 274 D HN 0.705 nan 8.370 nan 0.000 0.450 275 I N 0.579 121.137 120.570 -0.021 0.000 4.456 275 I HA 0.020 4.193 4.170 0.005 0.000 0.329 275 I C 1.371 177.318 176.117 -0.284 0.000 1.313 275 I CA -0.471 60.767 61.300 -0.103 0.000 1.205 275 I CB 0.346 38.431 38.000 0.141 0.000 1.179 275 I HN 0.168 nan 8.210 nan 0.000 0.419 276 V N 1.517 121.298 119.914 -0.222 0.000 2.283 276 V HA -0.180 3.943 4.120 0.005 0.000 0.243 276 V C 2.461 178.525 176.094 -0.049 0.000 1.039 276 V CA 2.010 64.158 62.300 -0.254 0.000 1.016 276 V CB -0.415 31.148 31.823 -0.433 0.000 0.650 276 V HN 0.482 nan 8.190 nan 0.000 0.449 277 L N -0.097 121.061 121.223 -0.108 0.000 2.044 277 L HA -0.048 4.295 4.340 0.005 0.000 0.205 277 L C 2.520 179.312 176.870 -0.129 0.000 1.075 277 L CA 1.985 56.786 54.840 -0.064 0.000 0.747 277 L CB -0.755 41.269 42.059 -0.058 0.000 0.903 277 L HN 0.232 nan 8.230 nan 0.000 0.435 278 S N -0.023 115.545 115.700 -0.219 0.000 2.365 278 S HA -0.177 4.296 4.470 0.005 0.000 0.225 278 S C 1.863 176.094 174.600 -0.614 0.000 1.039 278 S CA 1.348 59.361 58.200 -0.312 0.000 1.033 278 S CB -1.038 61.997 63.200 -0.276 0.000 0.887 278 S HN 0.729 nan 8.310 nan 0.000 0.447 279 G N 1.332 109.476 108.800 -1.093 0.000 2.404 279 G HA2 -0.148 3.815 3.960 0.005 0.000 0.215 279 G HA3 -0.148 3.815 3.960 0.005 0.000 0.215 279 G C 1.388 176.002 174.900 -0.476 0.000 1.174 279 G CA 0.896 45.279 45.100 -1.195 0.000 0.780 279 G HN 0.435 nan 8.290 nan 0.000 0.537 280 L N 1.144 122.190 121.223 -0.295 0.000 2.042 280 L HA -0.045 4.297 4.340 0.005 0.000 0.210 280 L C 2.842 179.653 176.870 -0.099 0.000 1.076 280 L CA 2.691 57.409 54.840 -0.203 0.000 0.749 280 L CB -0.968 41.099 42.059 0.014 0.000 0.893 280 L HN 0.199 nan 8.230 nan 0.000 0.432 281 T N -0.092 114.412 114.554 -0.082 0.000 2.701 281 T HA -0.118 4.235 4.350 0.005 0.000 0.263 281 T C 1.951 176.644 174.700 -0.011 0.000 1.040 281 T CA 1.363 63.442 62.100 -0.035 0.000 1.147 281 T CB -0.689 68.158 68.868 -0.035 0.000 0.865 281 T HN 0.530 nan 8.240 nan 0.000 0.426 282 A N 1.793 124.621 122.820 0.014 0.000 1.903 282 A HA -0.040 4.283 4.320 0.005 0.000 0.219 282 A C 2.664 180.280 177.584 0.052 0.000 1.191 282 A CA 2.276 54.361 52.037 0.080 0.000 0.638 282 A CB -1.311 17.840 19.000 0.251 0.000 0.823 282 A HN 0.535 nan 8.150 nan 0.000 0.451 283 A N -1.457 121.379 122.820 0.028 0.000 1.883 283 A HA -0.110 4.212 4.320 0.005 0.000 0.217 283 A C 2.341 179.967 177.584 0.070 0.000 1.186 283 A CA 2.427 54.501 52.037 0.062 0.000 0.624 283 A CB -1.331 17.672 19.000 0.005 0.000 0.822 283 A HN 0.451 nan 8.150 nan 0.000 0.444 284 T N 0.330 114.918 114.554 0.056 0.000 2.777 284 T HA -0.048 4.305 4.350 0.005 0.000 0.266 284 T C 1.812 176.499 174.700 -0.022 0.000 1.040 284 T CA 1.333 63.445 62.100 0.019 0.000 1.141 284 T CB -0.385 68.506 68.868 0.038 0.000 0.868 284 T HN 0.348 nan 8.240 nan 0.000 0.444 285 L N 1.188 122.406 121.223 -0.009 0.000 2.042 285 L HA -0.182 4.161 4.340 0.005 0.000 0.210 285 L C 2.568 179.430 176.870 -0.014 0.000 1.076 285 L CA 1.380 56.214 54.840 -0.009 0.000 0.749 285 L CB -0.564 41.492 42.059 -0.004 0.000 0.893 285 L HN 0.296 nan 8.230 nan 0.000 0.432 286 N N -0.303 118.385 118.700 -0.020 0.000 2.084 286 N HA -0.214 4.529 4.740 0.005 0.000 0.190 286 N C 1.809 177.255 175.510 -0.106 0.000 1.030 286 N CA 1.307 54.333 53.050 -0.041 0.000 0.849 286 N CB 0.085 38.561 38.487 -0.019 0.000 1.012 286 N HN 0.163 nan 8.380 nan 0.000 0.423 287 E N 0.708 120.807 120.200 -0.169 0.000 2.110 287 E HA -0.166 4.187 4.350 0.005 0.000 0.193 287 E C 1.831 178.332 176.600 -0.166 0.000 0.988 287 E CA 0.909 57.160 56.400 -0.248 0.000 0.804 287 E CB -0.208 29.185 29.700 -0.511 0.000 0.745 287 E HN 0.504 nan 8.360 nan 0.000 0.458 288 K N 0.608 120.949 120.400 -0.097 0.000 2.032 288 K HA -0.098 4.224 4.320 0.005 0.000 0.209 288 K C 2.181 178.765 176.600 -0.027 0.000 1.048 288 K CA 1.373 57.642 56.287 -0.029 0.000 0.927 288 K CB -0.199 32.312 32.500 0.018 0.000 0.712 288 K HN 0.075 nan 8.250 nan 0.000 0.441 289 A N 1.180 123.981 122.820 -0.033 0.000 1.972 289 A HA -0.230 4.093 4.320 0.005 0.000 0.219 289 A C 2.035 179.463 177.584 -0.261 0.000 1.169 289 A CA 1.781 53.790 52.037 -0.048 0.000 0.635 289 A CB -0.363 18.647 19.000 0.017 0.000 0.810 289 A HN 0.426 nan 8.150 nan 0.000 0.446 290 E N -0.219 119.789 120.200 -0.320 0.000 2.033 290 E HA -0.105 4.248 4.350 0.005 0.000 0.189 290 E C 1.976 178.182 176.600 -0.657 0.000 0.979 290 E CA 1.647 57.718 56.400 -0.549 0.000 0.802 290 E CB -0.124 29.252 29.700 -0.540 0.000 0.763 290 E HN 0.472 nan 8.360 nan 0.000 0.449 291 V N -1.047 118.590 119.914 -0.461 0.000 2.649 291 V HA -0.013 4.110 4.120 0.005 0.000 0.248 291 V C 2.082 178.242 176.094 0.110 0.000 1.054 291 V CA 1.039 63.176 62.300 -0.271 0.000 1.073 291 V CB -0.385 31.430 31.823 -0.012 0.000 0.699 291 V HN 0.239 nan 8.190 nan 0.000 0.463 292 I N -0.172 120.446 120.570 0.080 0.000 2.296 292 I HA -0.018 4.155 4.170 0.005 0.000 0.242 292 I C 2.469 178.646 176.117 0.100 0.000 1.087 292 I CA 1.453 62.837 61.300 0.140 0.000 1.393 292 I CB -0.188 37.870 38.000 0.097 0.000 1.093 292 I HN 0.235 nan 8.210 nan 0.000 0.421 293 L N 0.111 121.359 121.223 0.042 0.000 2.062 293 L HA 0.097 4.440 4.340 0.005 0.000 0.202 293 L C 2.701 179.639 176.870 0.114 0.000 1.079 293 L CA 1.361 56.255 54.840 0.090 0.000 0.755 293 L CB -1.281 40.888 42.059 0.183 0.000 0.913 293 L HN 0.239 nan 8.230 nan 0.000 0.445 294 G N -0.068 108.657 108.800 -0.125 0.000 2.418 294 G HA2 -0.185 3.778 3.960 0.005 0.000 0.217 294 G HA3 -0.185 3.778 3.960 0.005 0.000 0.217 294 G C 1.589 176.570 174.900 0.135 0.000 1.158 294 G CA 0.753 45.786 45.100 -0.111 0.000 0.771 294 G HN 0.482 nan 8.290 nan 0.000 0.545 295 G N 0.348 109.228 108.800 0.132 0.000 2.448 295 G HA2 -0.081 3.882 3.960 0.005 0.000 0.219 295 G HA3 -0.081 3.882 3.960 0.005 0.000 0.219 295 G C 1.899 176.942 174.900 0.238 0.000 1.127 295 G CA 1.304 46.570 45.100 0.277 0.000 0.766 295 G HN 0.433 nan 8.290 nan 0.000 0.552 296 S N -0.078 115.762 115.700 0.234 0.000 2.558 296 S HA 0.225 4.698 4.470 0.005 0.000 0.217 296 S C 1.845 176.544 174.600 0.164 0.000 0.975 296 S CA -0.044 58.320 58.200 0.273 0.000 0.912 296 S CB 0.116 63.433 63.200 0.195 0.000 0.776 296 S HN 0.385 nan 8.310 nan 0.000 0.526 297 I N 0.706 121.345 120.570 0.115 0.000 2.956 297 I HA -0.039 4.134 4.170 0.005 0.000 0.233 297 I C 2.307 178.387 176.117 -0.061 0.000 1.054 297 I CA 0.569 61.880 61.300 0.019 0.000 1.456 297 I CB -0.563 37.460 38.000 0.038 0.000 1.297 297 I HN 0.121 nan 8.210 nan 0.000 0.448 298 S N 1.302 116.944 115.700 -0.097 0.000 2.343 298 S HA -0.110 4.363 4.470 0.005 0.000 0.219 298 S C 2.012 176.555 174.600 -0.095 0.000 1.033 298 S CA 1.190 59.279 58.200 -0.186 0.000 1.014 298 S CB -0.277 62.863 63.200 -0.100 0.000 0.915 298 S HN 0.213 nan 8.310 nan 0.000 0.435 299 I N 2.231 122.793 120.570 -0.013 0.000 2.202 299 I HA -0.039 4.134 4.170 0.005 0.000 0.242 299 I C -0.868 175.271 176.117 0.037 0.000 1.091 299 I CA 0.830 62.135 61.300 0.008 0.000 1.368 299 I CB -2.679 35.351 38.000 0.050 0.000 1.058 299 I HN 0.157 nan 8.210 nan 0.000 0.410 300 P HA -0.115 nan 4.420 nan 0.000 0.216 300 P C 1.666 179.011 177.300 0.075 0.000 1.150 300 P CA 1.940 65.107 63.100 0.112 0.000 0.837 300 P CB 0.030 31.862 31.700 0.220 0.000 0.786 301 A N -0.019 122.819 122.820 0.031 0.000 1.873 301 A HA -0.076 4.247 4.320 0.005 0.000 0.215 301 A C 2.329 179.903 177.584 -0.016 0.000 1.186 301 A CA 2.013 54.044 52.037 -0.010 0.000 0.616 301 A CB -1.606 17.310 19.000 -0.140 0.000 0.823 301 A HN 0.180 nan 8.150 nan 0.000 0.442 302 A N -0.551 122.252 122.820 -0.028 0.000 1.883 302 A HA -0.036 4.286 4.320 0.005 0.000 0.217 302 A C 2.231 179.894 177.584 0.131 0.000 1.186 302 A CA 1.924 54.012 52.037 0.086 0.000 0.624 302 A CB -0.973 18.053 19.000 0.043 0.000 0.822 302 A HN 0.409 nan 8.150 nan 0.000 0.444 303 V N -0.221 119.713 119.914 0.033 0.000 2.427 303 V HA -0.206 3.916 4.120 0.005 0.000 0.248 303 V C 3.038 179.136 176.094 0.006 0.000 1.051 303 V CA 1.747 64.042 62.300 -0.007 0.000 1.048 303 V CB -1.203 30.581 31.823 -0.066 0.000 0.666 303 V HN 0.623 nan 8.190 nan 0.000 0.456 304 A N -0.543 122.297 122.820 0.033 0.000 1.908 304 A HA -0.216 4.106 4.320 0.005 0.000 0.218 304 A C 2.031 179.576 177.584 -0.065 0.000 1.181 304 A CA 2.023 54.069 52.037 0.014 0.000 0.627 304 A CB -0.640 18.416 19.000 0.092 0.000 0.818 304 A HN 0.475 nan 8.150 nan 0.000 0.445 305 F N -2.443 117.326 119.950 -0.302 0.000 2.335 305 F HA 0.171 4.701 4.527 0.006 0.000 0.296 305 F C 1.337 176.734 175.800 -0.673 0.000 1.091 305 F CA 0.868 58.519 58.000 -0.581 0.000 1.399 305 F CB 0.056 38.497 39.000 -0.931 0.000 1.067 305 F HN 0.216 nan 8.300 nan 0.000 0.520 306 F N -0.737 119.263 119.950 0.083 0.000 2.728 306 F HA 0.489 5.018 4.527 0.003 0.000 0.314 306 F C 1.138 176.912 175.800 -0.044 0.000 1.094 306 F CA 0.108 58.114 58.000 0.010 0.000 1.217 306 F CB -0.214 38.785 39.000 -0.002 0.000 1.056 306 F HN -0.060 nan 8.300 nan 0.000 0.577 307 G N 0.566 109.405 108.800 0.064 0.000 2.781 307 G HA2 -0.174 3.789 3.960 0.005 0.000 0.683 307 G HA3 -0.174 3.789 3.960 0.005 0.000 0.683 307 G C 0.530 175.391 174.900 -0.065 0.000 1.390 307 G CA -0.534 44.560 45.100 -0.010 0.000 0.850 307 G HN -0.043 nan 8.290 nan 0.000 0.557 308 V N 1.249 121.075 119.914 -0.146 0.000 2.261 308 V HA -0.065 4.058 4.120 0.005 0.000 0.246 308 V C 3.457 179.389 176.094 -0.269 0.000 1.047 308 V CA 3.449 65.559 62.300 -0.316 0.000 1.015 308 V CB -1.382 30.226 31.823 -0.357 0.000 0.642 308 V HN 1.867 nan 8.190 nan 0.000 0.446 309 A N 0.147 122.875 122.820 -0.153 0.000 1.948 309 A HA -0.271 4.052 4.320 0.005 0.000 0.220 309 A C 2.069 179.587 177.584 -0.110 0.000 1.177 309 A CA 2.278 54.247 52.037 -0.114 0.000 0.636 309 A CB -0.645 18.317 19.000 -0.064 0.000 0.815 309 A HN 0.599 nan 8.150 nan 0.000 0.449 310 N N -0.389 118.259 118.700 -0.086 0.000 2.333 310 N HA 0.046 4.788 4.740 0.005 0.000 0.178 310 N C 1.866 177.295 175.510 -0.134 0.000 1.018 310 N CA 1.179 54.172 53.050 -0.094 0.000 0.882 310 N CB -0.300 38.169 38.487 -0.030 0.000 0.984 310 N HN 0.454 nan 8.380 nan 0.000 0.434 311 A N 0.647 123.400 122.820 -0.111 0.000 1.897 311 A HA -0.030 4.292 4.320 0.005 0.000 0.215 311 A C 2.456 179.936 177.584 -0.174 0.000 1.181 311 A CA 0.971 52.933 52.037 -0.125 0.000 0.620 311 A CB -0.708 18.211 19.000 -0.135 0.000 0.821 311 A HN 0.058 nan 8.150 nan 0.000 0.443 312 V N 0.107 119.888 119.914 -0.221 0.000 2.287 312 V HA -0.298 3.825 4.120 0.005 0.000 0.248 312 V C 3.093 179.117 176.094 -0.116 0.000 1.053 312 V CA 2.081 64.284 62.300 -0.161 0.000 1.027 312 V CB -1.303 30.434 31.823 -0.142 0.000 0.646 312 V HN 0.618 nan 8.190 nan 0.000 0.447 313 A N -0.187 122.565 122.820 -0.114 0.000 1.892 313 A HA -0.245 4.077 4.320 0.005 0.000 0.218 313 A C 2.173 179.695 177.584 -0.104 0.000 1.188 313 A CA 2.299 54.277 52.037 -0.098 0.000 0.631 313 A CB -0.646 18.296 19.000 -0.097 0.000 0.822 313 A HN 0.518 nan 8.150 nan 0.000 0.447 314 I N -0.262 120.227 120.570 -0.134 0.000 2.163 314 I HA -0.312 3.861 4.170 0.005 0.000 0.243 314 I C 2.962 179.024 176.117 -0.092 0.000 1.085 314 I CA 1.224 62.447 61.300 -0.129 0.000 1.347 314 I CB -0.289 37.604 38.000 -0.178 0.000 1.044 314 I HN 0.359 nan 8.210 nan 0.000 0.408 315 A N 0.366 123.126 122.820 -0.100 0.000 1.933 315 A HA -0.232 4.090 4.320 0.005 0.000 0.218 315 A C 2.252 179.778 177.584 -0.096 0.000 1.175 315 A CA 1.687 53.663 52.037 -0.100 0.000 0.628 315 A CB -0.454 18.474 19.000 -0.120 0.000 0.814 315 A HN 0.348 nan 8.150 nan 0.000 0.444 316 K N -0.357 119.992 120.400 -0.086 0.000 2.365 316 K HA 0.148 4.471 4.320 0.005 0.000 0.199 316 K C 2.022 178.590 176.600 -0.054 0.000 1.045 316 K CA 0.615 56.859 56.287 -0.072 0.000 0.962 316 K CB -0.166 32.298 32.500 -0.061 0.000 0.759 316 K HN 0.452 nan 8.250 nan 0.000 0.469 317 A N 1.269 124.061 122.820 -0.046 0.000 1.969 317 A HA 0.071 4.394 4.320 0.005 0.000 0.218 317 A C 1.021 178.608 177.584 0.006 0.000 1.169 317 A CA 1.442 53.468 52.037 -0.018 0.000 0.635 317 A CB -0.061 18.929 19.000 -0.017 0.000 0.810 317 A HN 0.359 nan 8.150 nan 0.000 0.445 318 G N -4.397 104.399 108.800 -0.008 0.000 2.387 318 G HA2 0.518 4.480 3.960 0.005 0.000 0.294 318 G HA3 0.518 4.480 3.960 0.005 0.000 0.294 318 G C 0.313 175.165 174.900 -0.079 0.000 1.509 318 G CA -0.105 44.998 45.100 0.004 0.000 0.806 318 G HN 0.761 nan 8.290 nan 0.000 0.546 319 A N -0.544 122.136 122.820 -0.233 0.000 2.066 319 A HA 0.376 4.698 4.320 0.005 0.000 0.218 319 A C 1.366 178.651 177.584 -0.498 0.000 1.157 319 A CA 1.589 53.304 52.037 -0.536 0.000 0.670 319 A CB -0.328 18.108 19.000 -0.940 0.000 0.804 319 A HN 0.662 nan 8.150 nan 0.000 0.453 320 F N -1.145 118.918 119.950 0.189 0.000 2.728 320 F HA 0.212 4.742 4.527 0.005 0.000 0.314 320 F C 1.828 177.819 175.800 0.319 0.000 1.094 320 F CA -0.741 57.460 58.000 0.335 0.000 1.217 320 F CB -0.304 38.878 39.000 0.304 0.000 1.056 320 F HN 0.136 nan 8.300 nan 0.000 0.577 321 N N 0.847 119.737 118.700 0.316 0.000 2.069 321 N HA -0.183 4.559 4.740 0.005 0.000 0.191 321 N C 1.968 177.576 175.510 0.163 0.000 1.031 321 N CA 1.411 54.594 53.050 0.222 0.000 0.852 321 N CB -0.236 38.314 38.487 0.106 0.000 1.018 321 N HN 0.212 nan 8.380 nan 0.000 0.423 322 L N 0.970 122.255 121.223 0.104 0.000 1.994 322 L HA -0.032 4.311 4.340 0.005 0.000 0.208 322 L C 2.163 179.058 176.870 0.043 0.000 1.071 322 L CA 1.937 56.795 54.840 0.029 0.000 0.745 322 L CB -1.074 40.981 42.059 -0.007 0.000 0.892 322 L HN 0.101 nan 8.230 nan 0.000 0.431 323 G N -2.458 106.450 108.800 0.180 0.000 2.494 323 G HA2 -0.148 3.815 3.960 0.005 0.000 0.216 323 G HA3 -0.148 3.815 3.960 0.005 0.000 0.216 323 G C 1.143 176.153 174.900 0.184 0.000 1.140 323 G CA 0.452 45.690 45.100 0.229 0.000 0.801 323 G HN 0.420 nan 8.290 nan 0.000 0.536 324 F N -0.693 119.467 119.950 0.351 0.000 2.717 324 F HA 0.468 4.997 4.527 0.005 0.000 0.297 324 F C 1.936 177.984 175.800 0.413 0.000 1.113 324 F CA -0.048 58.170 58.000 0.364 0.000 1.319 324 F CB 0.514 39.586 39.000 0.121 0.000 1.097 324 F HN 0.035 nan 8.300 nan 0.000 0.595 325 I N -1.880 118.939 120.570 0.414 0.000 3.534 325 I HA -0.056 4.117 4.170 0.005 0.000 0.251 325 I C 1.993 178.150 176.117 0.067 0.000 1.136 325 I CA 0.592 62.083 61.300 0.318 0.000 1.475 325 I CB -0.371 37.789 38.000 0.266 0.000 1.526 325 I HN -0.198 nan 8.210 nan 0.000 0.454 326 T N 1.875 116.422 114.554 -0.011 0.000 2.701 326 T HA -0.121 4.232 4.350 0.005 0.000 0.263 326 T C 1.842 176.351 174.700 -0.318 0.000 1.040 326 T CA 1.280 63.311 62.100 -0.114 0.000 1.147 326 T CB -0.276 68.544 68.868 -0.079 0.000 0.865 326 T HN 0.046 nan 8.240 nan 0.000 0.426 327 L N 2.446 123.405 121.223 -0.440 0.000 1.989 327 L HA -0.033 4.309 4.340 0.005 0.000 0.211 327 L C -0.837 175.397 176.870 -1.060 0.000 1.071 327 L CA 2.115 56.417 54.840 -0.897 0.000 0.749 327 L CB -1.390 39.962 42.059 -1.178 0.000 0.890 327 L HN 0.151 nan 8.230 nan 0.000 0.431 328 P HA -0.139 nan 4.420 nan 0.000 0.217 328 P C 1.506 178.312 177.300 -0.823 0.000 1.150 328 P CA 1.981 64.780 63.100 -0.501 0.000 0.832 328 P CB -0.254 31.438 31.700 -0.013 0.000 0.787 329 A N 0.063 122.215 122.820 -1.115 0.000 1.865 329 A HA -0.204 4.119 4.320 0.005 0.000 0.217 329 A C 2.324 179.583 177.584 -0.541 0.000 1.191 329 A CA 1.746 53.136 52.037 -1.078 0.000 0.623 329 A CB -1.674 17.046 19.000 -0.466 0.000 0.826 329 A HN 0.111 nan 8.150 nan 0.000 0.444 330 I N -1.404 118.814 120.570 -0.586 0.000 2.099 330 I HA -0.270 3.903 4.170 0.005 0.000 0.239 330 I C 2.302 178.148 176.117 -0.451 0.000 1.066 330 I CA 1.448 62.264 61.300 -0.806 0.000 1.324 330 I CB -0.516 36.885 38.000 -0.998 0.000 1.037 330 I HN 0.272 nan 8.210 nan 0.000 0.401 331 F N 1.353 121.044 119.950 -0.433 0.000 2.154 331 F HA -0.268 4.261 4.527 0.004 0.000 0.301 331 F C 3.036 178.779 175.800 -0.095 0.000 1.087 331 F CA 1.506 59.367 58.000 -0.232 0.000 1.274 331 F CB -1.745 37.149 39.000 -0.178 0.000 1.009 331 F HN 0.230 nan 8.300 nan 0.000 0.485 332 S N -0.522 115.230 115.700 0.087 0.000 2.465 332 S HA -0.187 4.286 4.470 0.005 0.000 0.241 332 S C 1.531 176.214 174.600 0.139 0.000 1.000 332 S CA 0.951 59.252 58.200 0.168 0.000 0.964 332 S CB -0.348 63.018 63.200 0.276 0.000 0.763 332 S HN 0.393 nan 8.310 nan 0.000 0.512 333 Q N 1.551 121.406 119.800 0.092 0.000 2.360 333 Q HA 0.200 4.543 4.340 0.005 0.000 0.202 333 Q C 0.731 176.827 176.000 0.159 0.000 0.915 333 Q CA 0.597 56.489 55.803 0.150 0.000 0.943 333 Q CB 0.456 29.343 28.738 0.248 0.000 1.064 333 Q HN 0.865 nan 8.270 nan 0.000 0.511 334 T N -3.323 111.308 114.554 0.128 0.000 2.924 334 T HA 0.752 5.105 4.350 0.005 0.000 0.291 334 T C -0.298 174.448 174.700 0.077 0.000 1.045 334 T CA -0.778 61.384 62.100 0.103 0.000 1.015 334 T CB 2.163 71.079 68.868 0.080 0.000 1.103 334 T HN 0.054 nan 8.240 nan 0.000 0.496 335 A N 0.457 123.311 122.820 0.056 0.000 2.440 335 A HA 0.598 4.921 4.320 0.005 0.000 0.251 335 A C 1.574 179.191 177.584 0.055 0.000 1.089 335 A CA 0.175 52.242 52.037 0.050 0.000 0.779 335 A CB -1.151 17.869 19.000 0.033 0.000 1.022 335 A HN 2.431 nan 8.150 nan 0.000 0.492 336 G N 1.377 110.220 108.800 0.072 0.000 2.168 336 G HA2 -0.155 3.807 3.960 0.005 0.000 0.257 336 G HA3 -0.155 3.807 3.960 0.005 0.000 0.257 336 G C 1.190 176.189 174.900 0.164 0.000 0.997 336 G CA 0.972 46.137 45.100 0.107 0.000 0.708 336 G HN 1.845 nan 8.290 nan 0.000 0.520 337 G N -0.450 108.435 108.800 0.142 0.000 2.432 337 G HA2 -0.041 3.922 3.960 0.005 0.000 0.219 337 G HA3 -0.041 3.922 3.960 0.005 0.000 0.219 337 G C 1.665 176.753 174.900 0.313 0.000 1.135 337 G CA 2.200 47.401 45.100 0.169 0.000 0.767 337 G HN 0.654 nan 8.290 nan 0.000 0.550 338 T N 0.580 115.341 114.554 0.343 0.000 2.746 338 T HA -0.125 4.228 4.350 0.005 0.000 0.267 338 T C 1.930 176.964 174.700 0.557 0.000 1.039 338 T CA 1.052 63.437 62.100 0.475 0.000 1.142 338 T CB -0.266 68.767 68.868 0.276 0.000 0.866 338 T HN 0.251 nan 8.240 nan 0.000 0.444 339 F N 1.255 121.374 119.950 0.281 0.000 2.206 339 F HA 0.044 4.574 4.527 0.004 0.000 0.298 339 F C 1.858 177.833 175.800 0.293 0.000 1.090 339 F CA 0.557 58.736 58.000 0.298 0.000 1.323 339 F CB -0.262 38.837 39.000 0.166 0.000 1.028 339 F HN -0.019 nan 8.300 nan 0.000 0.492 340 L N 0.351 121.705 121.223 0.219 0.000 2.083 340 L HA -0.107 4.235 4.340 0.005 0.000 0.209 340 L C 2.728 179.629 176.870 0.052 0.000 1.083 340 L CA 1.923 56.730 54.840 -0.055 0.000 0.752 340 L CB -2.187 39.539 42.059 -0.555 0.000 0.899 340 L HN 0.304 nan 8.230 nan 0.000 0.433 341 G N -0.978 107.993 108.800 0.286 0.000 2.446 341 G HA2 -0.367 3.596 3.960 0.005 0.000 0.217 341 G HA3 -0.367 3.596 3.960 0.005 0.000 0.217 341 G C 1.619 176.586 174.900 0.112 0.000 1.168 341 G CA 0.814 46.029 45.100 0.191 0.000 0.771 341 G HN 0.387 nan 8.290 nan 0.000 0.551 342 F N 1.399 121.450 119.950 0.169 0.000 2.091 342 F HA -0.063 4.467 4.527 0.005 0.000 0.299 342 F C 2.340 178.125 175.800 -0.025 0.000 1.103 342 F CA 1.411 59.484 58.000 0.122 0.000 1.228 342 F CB -0.326 38.652 39.000 -0.037 0.000 0.984 342 F HN 0.074 nan 8.300 nan 0.000 0.477 343 L N -0.671 120.225 121.223 -0.544 0.000 2.093 343 L HA -0.224 4.119 4.340 0.005 0.000 0.208 343 L C 2.594 179.292 176.870 -0.287 0.000 1.085 343 L CA 1.431 55.913 54.840 -0.596 0.000 0.755 343 L CB -1.040 40.821 42.059 -0.331 0.000 0.904 343 L HN 0.542 nan 8.230 nan 0.000 0.435 344 W N 1.041 122.104 121.300 -0.395 0.000 2.354 344 W HA -0.284 4.380 4.660 0.006 0.000 0.315 344 W C 2.188 178.354 176.519 -0.588 0.000 1.206 344 W CA 1.392 58.447 57.345 -0.484 0.000 1.290 344 W CB -0.349 28.789 29.460 -0.537 0.000 1.152 344 W HN 0.059 nan 8.180 nan 0.000 0.489 345 F N -0.143 119.608 119.950 -0.332 0.000 2.216 345 F HA -0.156 4.374 4.527 0.005 0.000 0.300 345 F C 2.274 177.913 175.800 -0.268 0.000 1.085 345 F CA 1.410 59.178 58.000 -0.387 0.000 1.326 345 F CB -1.714 37.230 39.000 -0.094 0.000 1.027 345 F HN -0.154 nan 8.300 nan 0.000 0.497 346 F N 0.202 119.947 119.950 -0.342 0.000 2.146 346 F HA -0.134 4.395 4.527 0.004 0.000 0.298 346 F C 2.234 177.855 175.800 -0.298 0.000 1.096 346 F CA 0.857 58.649 58.000 -0.347 0.000 1.275 346 F CB -0.578 37.961 39.000 -0.768 0.000 1.008 346 F HN -0.044 nan 8.300 nan 0.000 0.480 347 L N 0.463 121.481 121.223 -0.342 0.000 1.990 347 L HA -0.233 4.109 4.340 0.005 0.000 0.213 347 L C 2.132 178.700 176.870 -0.504 0.000 1.072 347 L CA 1.984 56.559 54.840 -0.442 0.000 0.755 347 L CB -1.096 40.654 42.059 -0.515 0.000 0.889 347 L HN 0.213 nan 8.230 nan 0.000 0.432 348 L N -1.455 119.392 121.223 -0.627 0.000 2.013 348 L HA -0.258 4.084 4.340 0.005 0.000 0.212 348 L C 2.538 179.297 176.870 -0.184 0.000 1.073 348 L CA 1.800 56.350 54.840 -0.484 0.000 0.753 348 L CB -0.942 40.750 42.059 -0.612 0.000 0.890 348 L HN 0.368 nan 8.230 nan 0.000 0.432 349 F N 0.520 120.323 119.950 -0.244 0.000 2.046 349 F HA -0.278 4.251 4.527 0.004 0.000 0.297 349 F C 2.316 178.121 175.800 0.010 0.000 1.123 349 F CA 1.500 59.430 58.000 -0.116 0.000 1.199 349 F CB -0.527 38.390 39.000 -0.139 0.000 0.972 349 F HN -0.130 nan 8.300 nan 0.000 0.474 350 F N 0.774 120.376 119.950 -0.580 0.000 2.161 350 F HA -0.108 4.421 4.527 0.004 0.000 0.300 350 F C 2.614 178.252 175.800 -0.269 0.000 1.089 350 F CA 0.940 58.656 58.000 -0.473 0.000 1.282 350 F CB -1.612 37.173 39.000 -0.359 0.000 1.010 350 F HN 0.110 nan 8.300 nan 0.000 0.485 351 A N 0.045 122.844 122.820 -0.035 0.000 1.883 351 A HA -0.123 4.199 4.320 0.005 0.000 0.217 351 A C 2.638 180.242 177.584 0.033 0.000 1.186 351 A CA 1.969 54.020 52.037 0.025 0.000 0.624 351 A CB -1.564 17.474 19.000 0.064 0.000 0.822 351 A HN 0.402 nan 8.150 nan 0.000 0.444 352 G N -0.391 108.393 108.800 -0.027 0.000 2.421 352 G HA2 -0.124 3.839 3.960 0.005 0.000 0.216 352 G HA3 -0.124 3.839 3.960 0.005 0.000 0.216 352 G C 1.501 176.415 174.900 0.022 0.000 1.171 352 G CA 1.237 46.380 45.100 0.071 0.000 0.775 352 G HN 0.519 nan 8.290 nan 0.000 0.543 353 L N 1.678 122.747 121.223 -0.257 0.000 2.027 353 L HA -0.011 4.332 4.340 0.005 0.000 0.206 353 L C 3.104 179.867 176.870 -0.179 0.000 1.074 353 L CA 2.810 57.449 54.840 -0.336 0.000 0.745 353 L CB -1.158 40.465 42.059 -0.727 0.000 0.898 353 L HN 0.356 nan 8.230 nan 0.000 0.433 354 T N -4.296 110.208 114.554 -0.083 0.000 2.849 354 T HA -0.128 4.225 4.350 0.005 0.000 0.270 354 T C 1.885 176.569 174.700 -0.026 0.000 1.066 354 T CA 1.590 63.703 62.100 0.021 0.000 1.130 354 T CB -0.631 68.260 68.868 0.038 0.000 0.864 354 T HN 0.341 nan 8.240 nan 0.000 0.481 355 S N 1.479 117.140 115.700 -0.065 0.000 2.421 355 S HA 0.014 4.487 4.470 0.005 0.000 0.224 355 S C 2.485 176.891 174.600 -0.323 0.000 1.035 355 S CA 0.834 58.912 58.200 -0.204 0.000 0.953 355 S CB -0.255 62.831 63.200 -0.190 0.000 0.810 355 S HN 0.851 nan 8.310 nan 0.000 0.497 356 S N 2.956 118.538 115.700 -0.197 0.000 2.402 356 S HA -0.046 4.427 4.470 0.005 0.000 0.229 356 S C 1.976 176.492 174.600 -0.140 0.000 1.021 356 S CA 0.981 59.067 58.200 -0.189 0.000 0.974 356 S CB -0.966 62.238 63.200 0.007 0.000 0.800 356 S HN 0.704 nan 8.310 nan 0.000 0.484 357 I N 0.221 120.731 120.570 -0.100 0.000 2.361 357 I HA 0.033 4.206 4.170 0.005 0.000 0.251 357 I C 2.520 178.648 176.117 0.018 0.000 1.133 357 I CA 1.294 62.569 61.300 -0.042 0.000 1.413 357 I CB -0.851 37.125 38.000 -0.040 0.000 1.073 357 I HN 0.321 nan 8.210 nan 0.000 0.424 358 A N 2.495 125.284 122.820 -0.052 0.000 2.014 358 A HA 0.034 4.357 4.320 0.005 0.000 0.218 358 A C 2.289 179.744 177.584 -0.215 0.000 1.163 358 A CA 1.476 53.403 52.037 -0.184 0.000 0.652 358 A CB -0.706 17.986 19.000 -0.513 0.000 0.808 358 A HN 0.737 nan 8.150 nan 0.000 0.449 359 I N -5.074 115.355 120.570 -0.235 0.000 3.860 359 I HA 0.186 4.358 4.170 0.005 0.000 0.319 359 I C 1.777 177.839 176.117 -0.093 0.000 1.279 359 I CA 0.433 61.607 61.300 -0.209 0.000 1.220 359 I CB -0.037 37.761 38.000 -0.338 0.000 1.027 359 I HN 0.094 nan 8.210 nan 0.000 0.428 360 M N 0.455 120.024 119.600 -0.051 0.000 2.435 360 M HA 0.018 4.500 4.480 0.005 0.000 0.265 360 M C 2.097 178.428 176.300 0.051 0.000 1.104 360 M CA 0.854 56.160 55.300 0.010 0.000 1.140 360 M CB -0.067 32.541 32.600 0.012 0.000 1.372 360 M HN 0.198 nan 8.290 nan 0.000 0.456 361 Q N 1.271 121.116 119.800 0.075 0.000 2.224 361 Q HA -0.065 4.278 4.340 0.005 0.000 0.203 361 Q C -1.053 175.034 176.000 0.144 0.000 0.970 361 Q CA 1.664 57.546 55.803 0.131 0.000 0.865 361 Q CB -1.055 27.831 28.738 0.247 0.000 0.922 361 Q HN 0.236 nan 8.270 nan 0.000 0.445 362 P HA -0.110 nan 4.420 nan 0.000 0.216 362 P C 1.082 178.456 177.300 0.123 0.000 1.153 362 P CA 1.137 64.300 63.100 0.104 0.000 0.844 362 P CB -0.106 31.626 31.700 0.054 0.000 0.787 363 M N -0.832 118.829 119.600 0.102 0.000 2.117 363 M HA -0.111 4.371 4.480 0.005 0.000 0.262 363 M C 1.846 178.264 176.300 0.197 0.000 1.065 363 M CA 1.734 57.117 55.300 0.138 0.000 1.114 363 M CB -1.323 31.345 32.600 0.114 0.000 1.361 363 M HN -0.208 nan 8.290 nan 0.000 0.408 364 I N -0.226 120.432 120.570 0.148 0.000 2.127 364 I HA -0.324 3.849 4.170 0.005 0.000 0.241 364 I C 2.389 178.577 176.117 0.118 0.000 1.075 364 I CA 1.489 62.863 61.300 0.124 0.000 1.334 364 I CB -0.843 37.205 38.000 0.080 0.000 1.040 364 I HN 0.383 nan 8.210 nan 0.000 0.405 365 A N 0.370 123.276 122.820 0.143 0.000 1.902 365 A HA -0.252 4.071 4.320 0.005 0.000 0.217 365 A C 2.257 179.900 177.584 0.097 0.000 1.181 365 A CA 1.507 53.625 52.037 0.134 0.000 0.623 365 A CB -1.011 18.090 19.000 0.168 0.000 0.818 365 A HN 0.484 nan 8.150 nan 0.000 0.443 366 F N 0.653 120.609 119.950 0.010 0.000 2.134 366 F HA -0.137 4.393 4.527 0.005 0.000 0.299 366 F C 1.830 177.615 175.800 -0.026 0.000 1.097 366 F CA 1.734 59.725 58.000 -0.016 0.000 1.264 366 F CB -0.241 38.735 39.000 -0.040 0.000 1.001 366 F HN 0.142 nan 8.300 nan 0.000 0.479 367 L N -0.001 121.212 121.223 -0.018 0.000 2.056 367 L HA -0.167 4.176 4.340 0.005 0.000 0.207 367 L C 2.410 179.181 176.870 -0.165 0.000 1.078 367 L CA 1.606 56.374 54.840 -0.120 0.000 0.749 367 L CB -0.818 41.291 42.059 0.083 0.000 0.901 367 L HN 0.158 nan 8.230 nan 0.000 0.433 368 E N 0.207 120.356 120.200 -0.084 0.000 2.017 368 E HA -0.222 4.130 4.350 0.005 0.000 0.193 368 E C 1.812 178.323 176.600 -0.149 0.000 0.997 368 E CA 1.568 57.915 56.400 -0.088 0.000 0.804 368 E CB -0.075 29.597 29.700 -0.047 0.000 0.757 368 E HN 0.448 nan 8.360 nan 0.000 0.448 369 D N 0.169 120.468 120.400 -0.167 0.000 2.117 369 D HA -0.116 4.527 4.640 0.005 0.000 0.198 369 D C 1.789 177.944 176.300 -0.242 0.000 0.982 369 D CA 1.022 54.900 54.000 -0.203 0.000 0.828 369 D CB -0.025 40.676 40.800 -0.164 0.000 0.967 369 D HN 0.151 nan 8.370 nan 0.000 0.464 370 E N -0.398 119.570 120.200 -0.386 0.000 2.340 370 E HA 0.154 4.506 4.350 0.005 0.000 0.198 370 E C 1.982 178.329 176.600 -0.421 0.000 0.961 370 E CA 0.114 56.253 56.400 -0.435 0.000 0.905 370 E CB 0.515 29.773 29.700 -0.735 0.000 0.884 370 E HN 0.289 nan 8.360 nan 0.000 0.491 371 L N 0.434 121.389 121.223 -0.446 0.000 2.766 371 L HA 0.200 4.543 4.340 0.005 0.000 0.242 371 L C 0.003 176.758 176.870 -0.192 0.000 1.136 371 L CA -0.119 54.540 54.840 -0.302 0.000 0.933 371 L CB 0.320 42.202 42.059 -0.295 0.000 1.241 371 L HN -0.158 nan 8.230 nan 0.000 0.522 372 K N 0.116 120.411 120.400 -0.175 0.000 3.230 372 K HA -0.165 4.158 4.320 0.005 0.000 0.285 372 K C -0.277 176.285 176.600 -0.063 0.000 1.196 372 K CA 0.414 56.634 56.287 -0.112 0.000 0.838 372 K CB -2.115 30.326 32.500 -0.098 0.000 1.262 372 K HN 0.126 nan 8.250 nan 0.000 0.492 373 L N 1.383 122.578 121.223 -0.046 0.000 2.461 373 L HA 0.050 4.392 4.340 0.005 0.000 0.272 373 L C 1.449 178.329 176.870 0.015 0.000 1.197 373 L CA 0.581 55.442 54.840 0.035 0.000 0.836 373 L CB 0.557 42.666 42.059 0.083 0.000 1.105 373 L HN 0.325 nan 8.230 nan 0.000 0.477 374 S N 2.928 118.645 115.700 0.027 0.000 2.576 374 S HA 0.093 4.565 4.470 0.005 0.000 0.272 374 S C 1.307 175.880 174.600 -0.046 0.000 1.352 374 S CA -0.069 58.098 58.200 -0.055 0.000 1.021 374 S CB 0.419 63.524 63.200 -0.158 0.000 0.887 374 S HN 0.677 nan 8.310 nan 0.000 0.542 375 R N 1.635 122.087 120.500 -0.080 0.000 2.096 375 R HA -0.189 4.154 4.340 0.005 0.000 0.240 375 R C 2.316 178.582 176.300 -0.057 0.000 1.139 375 R CA 1.964 58.021 56.100 -0.071 0.000 0.952 375 R CB -0.501 29.735 30.300 -0.107 0.000 0.854 375 R HN 0.853 nan 8.270 nan 0.000 0.436 376 K N -0.332 120.000 120.400 -0.112 0.000 2.015 376 K HA -0.264 4.059 4.320 0.005 0.000 0.216 376 K C 1.933 178.529 176.600 -0.006 0.000 1.052 376 K CA 2.390 58.607 56.287 -0.117 0.000 0.937 376 K CB -0.341 32.019 32.500 -0.233 0.000 0.719 376 K HN 0.538 nan 8.250 nan 0.000 0.446 377 H N -0.901 118.195 119.070 0.043 0.000 2.387 377 H HA -0.063 4.495 4.556 0.004 0.000 0.299 377 H C 2.077 177.539 175.328 0.223 0.000 1.090 377 H CA 0.712 56.841 56.048 0.135 0.000 1.332 377 H CB 0.027 29.907 29.762 0.197 0.000 1.386 377 H HN 0.425 nan 8.280 nan 0.000 0.516 378 A N 0.580 123.556 122.820 0.260 0.000 1.902 378 A HA -0.127 4.196 4.320 0.005 0.000 0.217 378 A C 2.552 180.247 177.584 0.186 0.000 1.181 378 A CA 1.477 53.641 52.037 0.212 0.000 0.623 378 A CB -0.666 18.400 19.000 0.109 0.000 0.818 378 A HN 0.211 nan 8.150 nan 0.000 0.443 379 V N -0.034 119.945 119.914 0.107 0.000 2.323 379 V HA -0.184 3.939 4.120 0.005 0.000 0.244 379 V C 2.553 178.681 176.094 0.058 0.000 1.041 379 V CA 1.703 64.038 62.300 0.059 0.000 1.025 379 V CB -0.678 31.143 31.823 -0.003 0.000 0.656 379 V HN 0.554 nan 8.190 nan 0.000 0.451 380 L N -1.684 119.557 121.223 0.030 0.000 2.017 380 L HA -0.202 4.140 4.340 0.005 0.000 0.208 380 L C 2.422 179.249 176.870 -0.072 0.000 1.073 380 L CA 2.062 56.860 54.840 -0.071 0.000 0.745 380 L CB -0.560 41.404 42.059 -0.158 0.000 0.894 380 L HN 0.379 nan 8.230 nan 0.000 0.432 381 W N 0.076 121.425 121.300 0.082 0.000 2.363 381 W HA -0.173 4.490 4.660 0.004 0.000 0.296 381 W C 2.700 179.289 176.519 0.117 0.000 1.212 381 W CA 1.308 58.709 57.345 0.094 0.000 1.260 381 W CB -0.502 29.018 29.460 0.100 0.000 1.131 381 W HN 0.038 nan 8.180 nan 0.000 0.530 382 T N -0.017 114.727 114.554 0.318 0.000 2.708 382 T HA -0.192 4.161 4.350 0.005 0.000 0.266 382 T C 1.977 176.795 174.700 0.197 0.000 1.037 382 T CA 1.755 64.000 62.100 0.242 0.000 1.146 382 T CB -0.764 68.210 68.868 0.177 0.000 0.865 382 T HN 0.185 nan 8.240 nan 0.000 0.435 383 A N 1.355 124.254 122.820 0.131 0.000 1.933 383 A HA 0.168 4.490 4.320 0.005 0.000 0.218 383 A C 2.604 180.291 177.584 0.171 0.000 1.175 383 A CA 1.798 53.894 52.037 0.097 0.000 0.628 383 A CB -1.003 17.998 19.000 0.002 0.000 0.814 383 A HN 0.505 nan 8.150 nan 0.000 0.444 384 A N -0.112 122.804 122.820 0.160 0.000 1.930 384 A HA -0.028 4.295 4.320 0.005 0.000 0.217 384 A C 2.094 179.900 177.584 0.369 0.000 1.175 384 A CA 1.407 53.580 52.037 0.227 0.000 0.627 384 A CB -0.548 18.491 19.000 0.065 0.000 0.815 384 A HN 0.490 nan 8.150 nan 0.000 0.443 385 I N -0.502 120.277 120.570 0.348 0.000 2.226 385 I HA -0.202 3.971 4.170 0.005 0.000 0.245 385 I C 2.314 178.661 176.117 0.384 0.000 1.100 385 I CA 1.061 62.575 61.300 0.355 0.000 1.374 385 I CB -0.271 37.914 38.000 0.308 0.000 1.057 385 I HN 0.149 nan 8.210 nan 0.000 0.413 386 V N 0.562 120.672 119.914 0.327 0.000 2.307 386 V HA -0.286 3.837 4.120 0.005 0.000 0.245 386 V C 2.268 178.591 176.094 0.382 0.000 1.045 386 V CA 1.812 64.295 62.300 0.305 0.000 1.024 386 V CB -0.701 31.263 31.823 0.234 0.000 0.651 386 V HN 0.354 nan 8.190 nan 0.000 0.449 387 F N 0.795 120.905 119.950 0.268 0.000 2.069 387 F HA -0.246 4.284 4.527 0.004 0.000 0.298 387 F C 2.157 178.234 175.800 0.461 0.000 1.113 387 F CA 1.890 60.086 58.000 0.326 0.000 1.214 387 F CB -0.697 38.414 39.000 0.186 0.000 0.978 387 F HN 0.206 nan 8.300 nan 0.000 0.474 388 F N 0.864 120.936 119.950 0.204 0.000 2.046 388 F HA -0.225 4.305 4.527 0.005 0.000 0.297 388 F C 2.505 178.377 175.800 0.121 0.000 1.123 388 F CA 2.326 60.380 58.000 0.090 0.000 1.199 388 F CB -1.083 37.995 39.000 0.129 0.000 0.972 388 F HN -0.058 nan 8.300 nan 0.000 0.474 389 S N 0.527 116.286 115.700 0.098 0.000 2.419 389 S HA -0.151 4.322 4.470 0.005 0.000 0.235 389 S C 2.141 176.642 174.600 -0.164 0.000 1.019 389 S CA 0.902 59.073 58.200 -0.048 0.000 0.982 389 S CB -0.854 62.559 63.200 0.356 0.000 0.789 389 S HN 0.573 nan 8.310 nan 0.000 0.490 390 A N 0.773 123.538 122.820 -0.091 0.000 2.172 390 A HA -0.092 4.231 4.320 0.005 0.000 0.216 390 A C 1.521 178.803 177.584 -0.505 0.000 1.154 390 A CA 1.116 52.989 52.037 -0.272 0.000 0.701 390 A CB -0.679 18.162 19.000 -0.265 0.000 0.789 390 A HN 0.525 nan 8.150 nan 0.000 0.465 391 H N -1.252 117.558 119.070 -0.435 0.000 2.421 391 H HA -0.059 4.500 4.556 0.005 0.000 0.298 391 H C 1.807 177.035 175.328 -0.167 0.000 1.087 391 H CA 1.462 57.350 56.048 -0.265 0.000 1.330 391 H CB -0.114 29.471 29.762 -0.296 0.000 1.388 391 H HN 0.413 nan 8.280 nan 0.000 0.526 392 L N -0.165 120.931 121.223 -0.210 0.000 2.017 392 L HA -0.127 4.216 4.340 0.005 0.000 0.208 392 L C 2.133 178.926 176.870 -0.127 0.000 1.073 392 L CA 1.188 55.928 54.840 -0.167 0.000 0.745 392 L CB -0.469 41.433 42.059 -0.261 0.000 0.894 392 L HN 0.117 nan 8.230 nan 0.000 0.432 393 V N -0.729 119.074 119.914 -0.185 0.000 2.548 393 V HA -0.263 3.859 4.120 0.005 0.000 0.249 393 V C 2.447 178.366 176.094 -0.292 0.000 1.055 393 V CA 1.767 63.974 62.300 -0.155 0.000 1.065 393 V CB -0.339 31.437 31.823 -0.079 0.000 0.681 393 V HN 0.424 nan 8.190 nan 0.000 0.462 394 M N -1.583 117.639 119.600 -0.629 0.000 2.254 394 M HA -0.052 4.431 4.480 0.005 0.000 0.265 394 M C 1.646 177.456 176.300 -0.817 0.000 1.066 394 M CA 1.984 56.728 55.300 -0.927 0.000 1.123 394 M CB -0.159 31.662 32.600 -1.298 0.000 1.388 394 M HN 0.339 nan 8.290 nan 0.000 0.425 395 F N -1.100 118.722 119.950 -0.213 0.000 2.724 395 F HA 0.266 4.796 4.527 0.005 0.000 0.306 395 F C 0.282 176.010 175.800 -0.120 0.000 1.100 395 F CA -0.384 57.529 58.000 -0.144 0.000 1.255 395 F CB 0.514 39.436 39.000 -0.131 0.000 1.072 395 F HN -0.076 nan 8.300 nan 0.000 0.589 396 L N 1.248 122.479 121.223 0.013 0.000 2.298 396 L HA 0.432 4.775 4.340 0.005 0.000 0.284 396 L C -0.233 176.598 176.870 -0.065 0.000 1.013 396 L CA -0.706 54.119 54.840 -0.025 0.000 0.824 396 L CB 0.379 42.421 42.059 -0.028 0.000 1.221 396 L HN -0.099 nan 8.230 nan 0.000 0.418 397 N N 4.479 123.122 118.700 -0.096 0.000 2.454 397 N HA 0.069 4.812 4.740 0.005 0.000 0.260 397 N C 0.241 175.690 175.510 -0.102 0.000 1.218 397 N CA 0.559 53.541 53.050 -0.112 0.000 0.904 397 N CB 0.398 38.794 38.487 -0.151 0.000 1.065 397 N HN 0.469 nan 8.380 nan 0.000 0.462 398 K N 0.222 120.584 120.400 -0.064 0.000 3.547 398 K HA -0.209 4.114 4.320 0.005 0.000 0.309 398 K C 1.211 177.796 176.600 -0.025 0.000 1.324 398 K CA 1.127 57.388 56.287 -0.044 0.000 0.988 398 K CB -2.220 30.238 32.500 -0.069 0.000 1.261 398 K HN 0.541 nan 8.250 nan 0.000 0.444 399 S N 0.729 116.418 115.700 -0.018 0.000 2.356 399 S HA -0.046 4.427 4.470 0.005 0.000 0.223 399 S C 1.841 176.448 174.600 0.012 0.000 1.032 399 S CA 1.502 59.709 58.200 0.011 0.000 1.005 399 S CB -0.105 63.097 63.200 0.003 0.000 0.867 399 S HN 0.434 nan 8.310 nan 0.000 0.449 400 L N 1.225 122.451 121.223 0.005 0.000 2.010 400 L HA -0.271 4.072 4.340 0.005 0.000 0.219 400 L C 1.831 178.578 176.870 -0.204 0.000 1.077 400 L CA 2.694 57.502 54.840 -0.053 0.000 0.773 400 L CB -0.742 41.359 42.059 0.071 0.000 0.892 400 L HN 0.330 nan 8.230 nan 0.000 0.436 401 D N -0.812 119.536 120.400 -0.087 0.000 2.117 401 D HA -0.214 4.428 4.640 0.005 0.000 0.198 401 D C 2.081 178.348 176.300 -0.054 0.000 0.982 401 D CA 1.262 55.209 54.000 -0.087 0.000 0.828 401 D CB -0.101 40.673 40.800 -0.044 0.000 0.967 401 D HN 0.390 nan 8.370 nan 0.000 0.464 402 E N 0.152 120.357 120.200 0.008 0.000 2.072 402 E HA -0.091 4.262 4.350 0.005 0.000 0.191 402 E C 1.949 178.693 176.600 0.240 0.000 0.985 402 E CA 0.939 57.418 56.400 0.131 0.000 0.801 402 E CB -0.101 29.698 29.700 0.164 0.000 0.750 402 E HN 0.245 nan 8.360 nan 0.000 0.452 403 M N -0.084 119.594 119.600 0.130 0.000 2.175 403 M HA -0.119 4.364 4.480 0.005 0.000 0.264 403 M C 1.807 178.152 176.300 0.075 0.000 1.063 403 M CA 1.834 57.229 55.300 0.157 0.000 1.119 403 M CB -0.264 32.433 32.600 0.163 0.000 1.377 403 M HN 0.094 nan 8.290 nan 0.000 0.415 404 D N 0.118 120.379 120.400 -0.233 0.000 2.183 404 D HA -0.156 4.487 4.640 0.005 0.000 0.203 404 D C 1.683 177.989 176.300 0.010 0.000 0.969 404 D CA 0.843 54.740 54.000 -0.172 0.000 0.842 404 D CB 0.073 40.602 40.800 -0.453 0.000 0.957 404 D HN 0.241 nan 8.370 nan 0.000 0.484 405 F N -0.470 119.373 119.950 -0.178 0.000 2.074 405 F HA 0.002 4.532 4.527 0.004 0.000 0.293 405 F C 1.466 177.048 175.800 -0.364 0.000 1.116 405 F CA 1.362 59.162 58.000 -0.334 0.000 1.212 405 F CB -0.632 38.042 39.000 -0.544 0.000 0.998 405 F HN 0.027 nan 8.300 nan 0.000 0.471 406 W N 0.143 121.376 121.300 -0.113 0.000 2.381 406 W HA 0.006 4.669 4.660 0.005 0.000 0.301 406 W C 2.552 179.045 176.519 -0.042 0.000 1.205 406 W CA 1.596 58.868 57.345 -0.120 0.000 1.285 406 W CB -0.941 28.634 29.460 0.191 0.000 1.133 406 W HN 0.100 nan 8.180 nan 0.000 0.521 407 A N -0.164 122.764 122.820 0.179 0.000 1.871 407 A HA 0.190 4.513 4.320 0.005 0.000 0.211 407 A C 2.153 179.743 177.584 0.010 0.000 1.207 407 A CA 1.370 53.440 52.037 0.056 0.000 0.620 407 A CB -1.311 17.579 19.000 -0.183 0.000 0.860 407 A HN 0.236 nan 8.150 nan 0.000 0.450 408 G N -1.970 106.912 108.800 0.136 0.000 2.880 408 G HA2 0.272 4.234 3.960 0.005 0.000 0.209 408 G HA3 0.272 4.234 3.960 0.005 0.000 0.209 408 G C 1.050 176.063 174.900 0.189 0.000 1.157 408 G CA 1.476 46.758 45.100 0.303 0.000 0.779 408 G HN 0.441 nan 8.290 nan 0.000 0.539 409 T N 0.108 114.604 114.554 -0.096 0.000 3.400 409 T HA 0.186 4.539 4.350 0.005 0.000 0.228 409 T C 2.096 176.476 174.700 -0.533 0.000 0.992 409 T CA -0.154 61.839 62.100 -0.179 0.000 1.222 409 T CB 0.007 68.768 68.868 -0.178 0.000 1.236 409 T HN -0.082 nan 8.240 nan 0.000 0.357 410 I N 2.265 122.249 120.570 -0.976 0.000 2.179 410 I HA -0.044 4.129 4.170 0.005 0.000 0.242 410 I C 2.849 178.685 176.117 -0.467 0.000 1.088 410 I CA 1.812 62.504 61.300 -1.013 0.000 1.357 410 I CB -1.769 35.596 38.000 -1.059 0.000 1.051 410 I HN 0.430 nan 8.210 nan 0.000 0.409 411 G N 1.228 109.858 108.800 -0.284 0.000 2.446 411 G HA2 -0.212 3.751 3.960 0.005 0.000 0.217 411 G HA3 -0.212 3.751 3.960 0.005 0.000 0.217 411 G C 1.810 176.699 174.900 -0.019 0.000 1.168 411 G CA 1.676 46.762 45.100 -0.024 0.000 0.771 411 G HN 0.394 nan 8.290 nan 0.000 0.551 412 V N -0.976 118.807 119.914 -0.219 0.000 2.515 412 V HA -0.109 4.013 4.120 0.005 0.000 0.250 412 V C 2.670 178.538 176.094 -0.376 0.000 1.058 412 V CA 1.760 63.888 62.300 -0.286 0.000 1.064 412 V CB -0.744 30.759 31.823 -0.532 0.000 0.675 412 V HN 0.158 nan 8.190 nan 0.000 0.461 413 V N 0.085 119.671 119.914 -0.547 0.000 2.323 413 V HA -0.146 3.977 4.120 0.005 0.000 0.244 413 V C 2.342 178.335 176.094 -0.168 0.000 1.041 413 V CA 2.309 64.229 62.300 -0.632 0.000 1.025 413 V CB -0.992 30.628 31.823 -0.338 0.000 0.656 413 V HN 0.595 nan 8.190 nan 0.000 0.451 414 F N 0.689 120.518 119.950 -0.202 0.000 2.063 414 F HA -0.301 4.228 4.527 0.004 0.000 0.298 414 F C 2.097 177.880 175.800 -0.029 0.000 1.109 414 F CA 2.225 60.149 58.000 -0.127 0.000 1.212 414 F CB -0.542 38.333 39.000 -0.208 0.000 0.973 414 F HN 0.179 nan 8.300 nan 0.000 0.480 415 F N 1.079 120.906 119.950 -0.205 0.000 2.206 415 F HA 0.102 4.632 4.527 0.004 0.000 0.298 415 F C 2.438 178.187 175.800 -0.085 0.000 1.090 415 F CA 1.362 59.247 58.000 -0.192 0.000 1.323 415 F CB -1.140 37.895 39.000 0.058 0.000 1.028 415 F HN 0.030 nan 8.300 nan 0.000 0.492 416 G N 0.314 109.161 108.800 0.077 0.000 2.418 416 G HA2 -0.277 3.686 3.960 0.005 0.000 0.217 416 G HA3 -0.277 3.686 3.960 0.005 0.000 0.217 416 G C 1.635 176.504 174.900 -0.051 0.000 1.158 416 G CA 1.010 46.206 45.100 0.159 0.000 0.771 416 G HN 0.393 nan 8.290 nan 0.000 0.545 417 L N 0.953 122.108 121.223 -0.113 0.000 2.027 417 L HA 0.021 4.364 4.340 0.005 0.000 0.206 417 L C 2.947 179.593 176.870 -0.372 0.000 1.074 417 L CA 2.539 57.253 54.840 -0.210 0.000 0.745 417 L CB -1.048 40.910 42.059 -0.168 0.000 0.898 417 L HN 0.188 nan 8.230 nan 0.000 0.433 418 T N 0.251 114.505 114.554 -0.500 0.000 2.652 418 T HA -0.255 4.098 4.350 0.005 0.000 0.267 418 T C 1.609 175.970 174.700 -0.564 0.000 1.039 418 T CA 1.868 63.630 62.100 -0.562 0.000 1.153 418 T CB -0.370 68.088 68.868 -0.684 0.000 0.863 418 T HN 0.712 nan 8.240 nan 0.000 0.428 419 E N 1.206 121.064 120.200 -0.571 0.000 2.106 419 E HA -0.087 4.265 4.350 0.005 0.000 0.192 419 E C 2.357 178.784 176.600 -0.288 0.000 0.984 419 E CA 0.846 56.947 56.400 -0.499 0.000 0.806 419 E CB -0.625 28.866 29.700 -0.347 0.000 0.750 419 E HN 0.428 nan 8.360 nan 0.000 0.458 420 L N 0.658 121.729 121.223 -0.253 0.000 2.042 420 L HA -0.156 4.187 4.340 0.005 0.000 0.210 420 L C 2.512 179.182 176.870 -0.332 0.000 1.076 420 L CA 1.290 56.005 54.840 -0.209 0.000 0.749 420 L CB -0.095 41.800 42.059 -0.273 0.000 0.893 420 L HN 0.188 nan 8.230 nan 0.000 0.432 421 I N -0.546 119.722 120.570 -0.503 0.000 2.286 421 I HA -0.310 3.862 4.170 0.005 0.000 0.245 421 I C 2.299 178.235 176.117 -0.301 0.000 1.104 421 I CA 1.124 62.073 61.300 -0.585 0.000 1.397 421 I CB -0.149 37.532 38.000 -0.532 0.000 1.072 421 I HN 0.206 nan 8.210 nan 0.000 0.417 422 I N -0.249 120.120 120.570 -0.334 0.000 2.286 422 I HA -0.308 3.864 4.170 0.005 0.000 0.248 422 I C 2.415 178.509 176.117 -0.038 0.000 1.115 422 I CA 1.702 62.833 61.300 -0.282 0.000 1.392 422 I CB -0.341 37.340 38.000 -0.531 0.000 1.065 422 I HN 0.234 nan 8.210 nan 0.000 0.418 423 F N 0.096 119.952 119.950 -0.155 0.000 2.317 423 F HA 0.009 4.539 4.527 0.004 0.000 0.290 423 F C 1.940 177.792 175.800 0.087 0.000 1.075 423 F CA 1.024 58.998 58.000 -0.043 0.000 1.380 423 F CB -0.194 38.779 39.000 -0.044 0.000 1.093 423 F HN -0.157 nan 8.300 nan 0.000 0.524 424 F N -2.020 117.889 119.950 -0.069 0.000 2.717 424 F HA 0.066 4.596 4.527 0.005 0.000 0.295 424 F C 1.068 176.953 175.800 0.141 0.000 1.117 424 F CA 0.249 58.188 58.000 -0.102 0.000 1.361 424 F CB 0.094 39.032 39.000 -0.103 0.000 1.112 424 F HN -0.060 nan 8.300 nan 0.000 0.594 425 W N -0.647 120.614 121.300 -0.065 0.000 2.850 425 W HA 0.294 4.956 4.660 0.004 0.000 0.260 425 W C 1.939 178.351 176.519 -0.179 0.000 1.129 425 W CA 0.033 57.299 57.345 -0.132 0.000 1.587 425 W CB -0.794 28.588 29.460 -0.131 0.000 1.041 425 W HN -0.180 nan 8.180 nan 0.000 0.614 426 I N -0.915 119.674 120.570 0.031 0.000 2.368 426 I HA -0.191 3.982 4.170 0.005 0.000 0.238 426 I C 2.318 178.412 176.117 -0.040 0.000 1.076 426 I CA 1.065 62.288 61.300 -0.128 0.000 1.397 426 I CB -0.859 36.883 38.000 -0.431 0.000 1.141 426 I HN -0.233 nan 8.210 nan 0.000 0.430 427 F N 2.060 121.930 119.950 -0.134 0.000 2.126 427 F HA 0.011 4.541 4.527 0.004 0.000 0.299 427 F C 1.035 176.723 175.800 -0.187 0.000 1.096 427 F CA 1.376 59.303 58.000 -0.122 0.000 1.255 427 F CB -0.294 38.630 39.000 -0.128 0.000 0.997 427 F HN 0.149 nan 8.300 nan 0.000 0.479 428 G N -1.345 107.312 108.800 -0.238 0.000 2.957 428 G HA2 0.320 4.283 3.960 0.005 0.000 0.636 428 G HA3 0.320 4.283 3.960 0.005 0.000 0.636 428 G C 0.315 174.945 174.900 -0.450 0.000 1.401 428 G CA -0.446 44.452 45.100 -0.337 0.000 0.941 428 G HN 0.616 nan 8.290 nan 0.000 0.610 429 A N 1.512 124.092 122.820 -0.399 0.000 1.917 429 A HA -0.074 4.249 4.320 0.005 0.000 0.219 429 A C 2.027 179.343 177.584 -0.447 0.000 1.182 429 A CA 2.615 54.258 52.037 -0.656 0.000 0.633 429 A CB -0.295 18.551 19.000 -0.257 0.000 0.819 429 A HN 0.720 nan 8.150 nan 0.000 0.448 430 D N -0.549 119.732 120.400 -0.199 0.000 2.149 430 D HA -0.073 4.570 4.640 0.005 0.000 0.201 430 D C 1.866 178.101 176.300 -0.108 0.000 0.972 430 D CA 1.247 55.201 54.000 -0.077 0.000 0.835 430 D CB -0.261 40.487 40.800 -0.088 0.000 0.966 430 D HN 0.522 nan 8.370 nan 0.000 0.476 431 K N 0.998 121.242 120.400 -0.259 0.000 2.155 431 K HA 0.022 4.344 4.320 0.005 0.000 0.203 431 K C 2.185 178.674 176.600 -0.184 0.000 1.052 431 K CA 0.866 56.995 56.287 -0.264 0.000 0.948 431 K CB 0.038 32.179 32.500 -0.598 0.000 0.728 431 K HN -0.011 nan 8.250 nan 0.000 0.448 432 A N 1.544 124.094 122.820 -0.451 0.000 1.877 432 A HA -0.192 4.131 4.320 0.005 0.000 0.216 432 A C 1.928 179.386 177.584 -0.210 0.000 1.186 432 A CA 1.050 52.613 52.037 -0.790 0.000 0.620 432 A CB -0.958 17.037 19.000 -1.675 0.000 0.822 432 A HN 0.580 nan 8.150 nan 0.000 0.443 433 W N 0.920 122.023 121.300 -0.328 0.000 2.333 433 W HA -0.258 4.404 4.660 0.004 0.000 0.316 433 W C 2.064 178.580 176.519 -0.005 0.000 1.215 433 W CA 2.408 59.742 57.345 -0.017 0.000 1.278 433 W CB -0.192 29.318 29.460 0.083 0.000 1.154 433 W HN 0.560 nan 8.180 nan 0.000 0.486 434 E N 0.911 121.166 120.200 0.092 0.000 2.085 434 E HA -0.318 4.035 4.350 0.005 0.000 0.194 434 E C 1.877 178.467 176.600 -0.015 0.000 0.994 434 E CA 2.198 58.600 56.400 0.003 0.000 0.801 434 E CB -0.588 29.140 29.700 0.046 0.000 0.743 434 E HN 0.135 nan 8.360 nan 0.000 0.453 435 E N 0.276 120.510 120.200 0.056 0.000 2.106 435 E HA -0.105 4.248 4.350 0.005 0.000 0.192 435 E C 1.939 178.598 176.600 0.098 0.000 0.984 435 E CA 1.450 57.933 56.400 0.138 0.000 0.806 435 E CB -0.323 29.529 29.700 0.253 0.000 0.750 435 E HN 0.508 nan 8.360 nan 0.000 0.458 436 I N 0.741 121.340 120.570 0.050 0.000 2.226 436 I HA -0.261 3.912 4.170 0.005 0.000 0.245 436 I C 1.926 177.901 176.117 -0.236 0.000 1.100 436 I CA 1.095 62.364 61.300 -0.052 0.000 1.374 436 I CB -0.324 37.606 38.000 -0.116 0.000 1.057 436 I HN 0.146 nan 8.210 nan 0.000 0.413 437 N N 0.673 119.157 118.700 -0.361 0.000 2.409 437 N HA -0.055 4.687 4.740 0.005 0.000 0.179 437 N C 0.929 176.318 175.510 -0.201 0.000 1.032 437 N CA 0.211 53.025 53.050 -0.394 0.000 0.898 437 N CB -0.054 38.102 38.487 -0.551 0.000 0.971 437 N HN 0.271 nan 8.380 nan 0.000 0.441 438 R N 0.584 121.019 120.500 -0.108 0.000 2.502 438 R HA 0.060 4.403 4.340 0.005 0.000 0.292 438 R C 0.961 177.244 176.300 -0.029 0.000 0.998 438 R CA 1.000 57.076 56.100 -0.041 0.000 1.056 438 R CB -0.017 30.293 30.300 0.017 0.000 0.939 438 R HN 0.311 nan 8.270 nan 0.000 0.411 439 G N 2.551 111.336 108.800 -0.026 0.000 2.189 439 G HA2 -0.286 3.677 3.960 0.005 0.000 0.267 439 G HA3 -0.286 3.677 3.960 0.005 0.000 0.267 439 G C 0.440 175.313 174.900 -0.044 0.000 0.975 439 G CA 0.128 45.217 45.100 -0.019 0.000 0.644 439 G HN 0.952 nan 8.290 nan 0.000 0.537 440 G N -0.594 108.155 108.800 -0.085 0.000 2.432 440 G HA2 0.446 4.409 3.960 0.005 0.000 0.239 440 G HA3 0.446 4.409 3.960 0.005 0.000 0.239 440 G C 1.087 175.934 174.900 -0.088 0.000 1.291 440 G CA 0.060 45.089 45.100 -0.119 0.000 0.863 440 G HN 0.432 nan 8.290 nan 0.000 0.560 441 I N 1.465 121.988 120.570 -0.079 0.000 2.852 441 I HA 0.135 4.308 4.170 0.005 0.000 0.264 441 I C 1.156 177.238 176.117 -0.058 0.000 1.179 441 I CA 0.618 61.886 61.300 -0.054 0.000 1.480 441 I CB -0.109 37.867 38.000 -0.041 0.000 1.111 441 I HN 0.519 nan 8.210 nan 0.000 0.441 442 I N -2.872 117.648 120.570 -0.083 0.000 2.957 442 I HA 0.460 4.632 4.170 0.005 0.000 0.310 442 I C -0.619 175.408 176.117 -0.149 0.000 1.063 442 I CA -0.956 60.294 61.300 -0.085 0.000 1.033 442 I CB 1.773 39.739 38.000 -0.056 0.000 1.230 442 I HN -0.240 nan 8.210 nan 0.000 0.447 443 K N 2.333 122.652 120.400 -0.136 0.000 2.110 443 K HA 0.475 4.798 4.320 0.005 0.000 0.263 443 K C -0.809 175.623 176.600 -0.280 0.000 0.975 443 K CA -0.821 55.339 56.287 -0.212 0.000 0.895 443 K CB 2.392 34.822 32.500 -0.116 0.000 1.060 443 K HN 0.456 nan 8.250 nan 0.000 0.448 444 V N 4.592 124.193 119.914 -0.521 0.000 2.599 444 V HA -0.003 4.120 4.120 0.005 0.000 0.300 444 V C -1.978 174.118 176.094 0.003 0.000 1.034 444 V CA -1.098 60.860 62.300 -0.570 0.000 1.115 444 V CB 0.169 31.387 31.823 -1.008 0.000 0.934 444 V HN 0.646 nan 8.190 nan 0.000 0.485 445 P HA 0.066 nan 4.420 nan 0.000 0.266 445 P C 0.766 178.325 177.300 0.431 0.000 1.195 445 P CA 0.007 63.280 63.100 0.288 0.000 0.768 445 P CB 0.442 32.329 31.700 0.311 0.000 0.838 446 R N 2.625 123.321 120.500 0.326 0.000 2.096 446 R HA -0.151 4.192 4.340 0.005 0.000 0.235 446 R C 1.754 178.198 176.300 0.241 0.000 1.127 446 R CA 1.210 57.478 56.100 0.280 0.000 0.968 446 R CB -0.509 29.895 30.300 0.173 0.000 0.861 446 R HN 0.359 nan 8.270 nan 0.000 0.440 447 I N 0.720 121.424 120.570 0.225 0.000 2.264 447 I HA -0.266 3.907 4.170 0.005 0.000 0.248 447 I C 1.291 177.516 176.117 0.180 0.000 1.111 447 I CA 1.344 62.761 61.300 0.194 0.000 1.382 447 I CB -0.641 37.370 38.000 0.019 0.000 1.060 447 I HN 0.184 nan 8.210 nan 0.000 0.418 448 Y N -1.186 119.276 120.300 0.271 0.000 2.315 448 Y HA -0.337 4.215 4.550 0.004 0.000 0.288 448 Y C 2.454 178.461 175.900 0.179 0.000 1.154 448 Y CA 1.934 60.199 58.100 0.276 0.000 1.229 448 Y CB -0.587 38.120 38.460 0.411 0.000 0.980 448 Y HN 0.321 nan 8.280 nan 0.000 0.540 449 Y N -0.695 119.571 120.300 -0.056 0.000 2.128 449 Y HA -0.376 4.177 4.550 0.004 0.000 0.284 449 Y C 1.704 177.376 175.900 -0.381 0.000 1.154 449 Y CA 1.783 59.547 58.100 -0.560 0.000 1.149 449 Y CB -0.716 36.924 38.460 -1.366 0.000 0.976 449 Y HN 0.128 nan 8.280 nan 0.000 0.505 450 Y N -1.464 118.913 120.300 0.128 0.000 2.337 450 Y HA -0.133 4.419 4.550 0.004 0.000 0.293 450 Y C 2.439 178.400 175.900 0.102 0.000 1.123 450 Y CA 1.170 59.390 58.100 0.200 0.000 1.201 450 Y CB -0.715 37.879 38.460 0.224 0.000 1.011 450 Y HN -0.041 nan 8.280 nan 0.000 0.545 451 V N -0.014 119.988 119.914 0.147 0.000 2.295 451 V HA -0.346 3.776 4.120 0.005 0.000 0.246 451 V C 2.175 178.245 176.094 -0.040 0.000 1.049 451 V CA 2.032 64.379 62.300 0.079 0.000 1.024 451 V CB -0.610 31.260 31.823 0.079 0.000 0.648 451 V HN 0.429 nan 8.190 nan 0.000 0.447 452 M N -0.730 118.750 119.600 -0.200 0.000 2.175 452 M HA -0.155 4.328 4.480 0.005 0.000 0.264 452 M C 2.444 178.342 176.300 -0.670 0.000 1.063 452 M CA 1.810 56.777 55.300 -0.555 0.000 1.119 452 M CB -0.406 31.561 32.600 -1.055 0.000 1.377 452 M HN 0.176 nan 8.290 nan 0.000 0.415 453 R N -0.617 119.502 120.500 -0.637 0.000 2.075 453 R HA -0.094 4.249 4.340 0.005 0.000 0.226 453 R C 1.454 177.562 176.300 -0.320 0.000 1.114 453 R CA 1.461 57.273 56.100 -0.480 0.000 0.972 453 R CB 0.180 29.945 30.300 -0.891 0.000 0.869 453 R HN 0.310 nan 8.270 nan 0.000 0.437 454 Y N -0.877 119.489 120.300 0.111 0.000 2.447 454 Y HA 0.151 4.704 4.550 0.004 0.000 0.286 454 Y C 2.057 178.038 175.900 0.135 0.000 1.153 454 Y CA -0.131 58.068 58.100 0.165 0.000 1.241 454 Y CB -0.061 38.474 38.460 0.124 0.000 1.284 454 Y HN -0.114 nan 8.280 nan 0.000 0.520 455 I N 0.027 120.737 120.570 0.232 0.000 2.193 455 I HA -0.187 3.986 4.170 0.005 0.000 0.240 455 I C 2.032 178.220 176.117 0.120 0.000 1.084 455 I CA 1.615 63.008 61.300 0.154 0.000 1.365 455 I CB -1.608 36.442 38.000 0.084 0.000 1.064 455 I HN 0.228 nan 8.210 nan 0.000 0.410 456 T N 2.833 117.413 114.554 0.044 0.000 2.635 456 T HA -0.092 4.260 4.350 0.005 0.000 0.267 456 T C -0.357 174.395 174.700 0.087 0.000 1.040 456 T CA 1.872 63.992 62.100 0.034 0.000 1.156 456 T CB -1.578 67.258 68.868 -0.053 0.000 0.863 456 T HN 0.278 nan 8.240 nan 0.000 0.430 457 P HA -0.012 nan 4.420 nan 0.000 0.218 457 P C 1.430 178.783 177.300 0.088 0.000 1.149 457 P CA 1.384 64.454 63.100 -0.051 0.000 0.817 457 P CB -0.204 31.344 31.700 -0.252 0.000 0.785 458 A N -0.250 122.676 122.820 0.177 0.000 1.855 458 A HA -0.181 4.141 4.320 0.005 0.000 0.215 458 A C 2.185 179.881 177.584 0.186 0.000 1.191 458 A CA 1.351 53.499 52.037 0.186 0.000 0.613 458 A CB -1.869 17.249 19.000 0.196 0.000 0.829 458 A HN 0.102 nan 8.150 nan 0.000 0.442 459 F N 0.624 120.607 119.950 0.056 0.000 2.120 459 F HA -0.209 4.320 4.527 0.004 0.000 0.300 459 F C 1.943 177.790 175.800 0.079 0.000 1.095 459 F CA 1.992 60.022 58.000 0.050 0.000 1.249 459 F CB -0.166 38.868 39.000 0.058 0.000 0.995 459 F HN 0.144 nan 8.300 nan 0.000 0.480 460 L N -0.889 120.486 121.223 0.253 0.000 2.131 460 L HA -0.081 4.262 4.340 0.005 0.000 0.206 460 L C 2.700 179.628 176.870 0.097 0.000 1.087 460 L CA 0.869 55.816 54.840 0.179 0.000 0.767 460 L CB -1.082 41.105 42.059 0.213 0.000 0.917 460 L HN 0.189 nan 8.230 nan 0.000 0.441 461 A N -0.196 122.673 122.820 0.081 0.000 1.897 461 A HA -0.110 4.212 4.320 0.005 0.000 0.215 461 A C 2.347 179.970 177.584 0.066 0.000 1.181 461 A CA 1.369 53.451 52.037 0.075 0.000 0.620 461 A CB -0.727 18.320 19.000 0.078 0.000 0.821 461 A HN 0.139 nan 8.150 nan 0.000 0.443 462 V N -0.252 119.679 119.914 0.029 0.000 2.287 462 V HA -0.262 3.861 4.120 0.005 0.000 0.248 462 V C 2.531 178.610 176.094 -0.025 0.000 1.053 462 V CA 2.101 64.394 62.300 -0.012 0.000 1.027 462 V CB -0.726 31.057 31.823 -0.066 0.000 0.646 462 V HN 0.606 nan 8.190 nan 0.000 0.447 463 L N -0.743 120.436 121.223 -0.073 0.000 2.017 463 L HA -0.166 4.177 4.340 0.005 0.000 0.208 463 L C 2.254 179.217 176.870 0.155 0.000 1.073 463 L CA 1.801 56.612 54.840 -0.049 0.000 0.745 463 L CB -0.296 41.695 42.059 -0.113 0.000 0.894 463 L HN 0.212 nan 8.230 nan 0.000 0.432 464 L N -1.630 119.723 121.223 0.217 0.000 2.127 464 L HA -0.232 4.110 4.340 0.005 0.000 0.211 464 L C 2.349 179.370 176.870 0.251 0.000 1.089 464 L CA 0.933 55.952 54.840 0.298 0.000 0.757 464 L CB -0.490 41.691 42.059 0.203 0.000 0.899 464 L HN 0.155 nan 8.230 nan 0.000 0.434 465 V N -1.053 118.960 119.914 0.166 0.000 2.283 465 V HA -0.219 3.903 4.120 0.005 0.000 0.243 465 V C 2.390 178.574 176.094 0.151 0.000 1.039 465 V CA 1.360 63.743 62.300 0.138 0.000 1.016 465 V CB -0.103 31.775 31.823 0.091 0.000 0.650 465 V HN 0.161 nan 8.190 nan 0.000 0.449 466 V N -1.160 118.830 119.914 0.127 0.000 2.324 466 V HA -0.295 3.828 4.120 0.005 0.000 0.250 466 V C 2.190 178.433 176.094 0.249 0.000 1.060 466 V CA 2.191 64.564 62.300 0.121 0.000 1.042 466 V CB -0.702 31.155 31.823 0.056 0.000 0.650 466 V HN 0.677 nan 8.190 nan 0.000 0.450 467 W N 0.606 122.001 121.300 0.158 0.000 2.333 467 W HA -0.224 4.439 4.660 0.006 0.000 0.316 467 W C 2.672 179.313 176.519 0.203 0.000 1.215 467 W CA 2.290 59.776 57.345 0.234 0.000 1.278 467 W CB -0.961 28.587 29.460 0.148 0.000 1.154 467 W HN 0.296 nan 8.180 nan 0.000 0.486 468 A N -0.021 123.036 122.820 0.395 0.000 2.019 468 A HA -0.182 4.141 4.320 0.005 0.000 0.219 468 A C 2.102 179.798 177.584 0.186 0.000 1.164 468 A CA 1.762 53.944 52.037 0.243 0.000 0.644 468 A CB -0.551 18.555 19.000 0.177 0.000 0.805 468 A HN 0.327 nan 8.150 nan 0.000 0.449 469 R N -0.836 119.758 120.500 0.157 0.000 2.048 469 R HA 0.016 4.358 4.340 0.005 0.000 0.224 469 R C 1.794 178.100 176.300 0.010 0.000 1.163 469 R CA 1.123 57.268 56.100 0.076 0.000 0.956 469 R CB -0.161 30.168 30.300 0.049 0.000 0.849 469 R HN 0.350 nan 8.270 nan 0.000 0.435 470 E N -0.572 119.584 120.200 -0.074 0.000 2.427 470 E HA -0.089 4.263 4.350 0.005 0.000 0.196 470 E C 0.628 176.886 176.600 -0.569 0.000 1.028 470 E CA 1.100 57.252 56.400 -0.413 0.000 0.864 470 E CB 0.368 29.621 29.700 -0.745 0.000 0.813 470 E HN 0.460 nan 8.360 nan 0.000 0.514 471 Y N -1.264 119.126 120.300 0.150 0.000 2.498 471 Y HA 0.192 4.744 4.550 0.004 0.000 0.278 471 Y C 1.898 177.851 175.900 0.089 0.000 1.148 471 Y CA -0.327 57.857 58.100 0.140 0.000 1.126 471 Y CB -0.119 38.480 38.460 0.231 0.000 1.320 471 Y HN -0.068 nan 8.280 nan 0.000 0.538 472 I N 0.888 121.623 120.570 0.275 0.000 2.676 472 I HA 0.051 4.223 4.170 0.005 0.000 0.259 472 I C -0.996 175.184 176.117 0.104 0.000 1.194 472 I CA 0.326 61.708 61.300 0.137 0.000 1.473 472 I CB -0.862 37.259 38.000 0.202 0.000 1.096 472 I HN -0.044 nan 8.210 nan 0.000 0.443 473 P HA -0.131 nan 4.420 nan 0.000 0.217 473 P C 1.392 178.729 177.300 0.062 0.000 1.151 473 P CA 1.437 64.590 63.100 0.088 0.000 0.828 473 P CB -0.099 31.643 31.700 0.070 0.000 0.788 474 K N -0.177 120.250 120.400 0.045 0.000 2.074 474 K HA -0.128 4.194 4.320 0.005 0.000 0.209 474 K C 2.211 178.801 176.600 -0.016 0.000 1.048 474 K CA 1.407 57.709 56.287 0.025 0.000 0.926 474 K CB -0.590 31.933 32.500 0.038 0.000 0.713 474 K HN 0.177 nan 8.250 nan 0.000 0.444 475 I N 0.631 121.151 120.570 -0.084 0.000 2.439 475 I HA -0.199 3.974 4.170 0.005 0.000 0.251 475 I C 2.150 178.240 176.117 -0.045 0.000 1.139 475 I CA 0.744 61.939 61.300 -0.176 0.000 1.438 475 I CB -0.034 37.641 38.000 -0.541 0.000 1.085 475 I HN 0.144 nan 8.210 nan 0.000 0.427 476 M N -0.609 119.019 119.600 0.047 0.000 2.492 476 M HA -0.049 4.434 4.480 0.005 0.000 0.262 476 M C 1.704 178.085 176.300 0.136 0.000 1.090 476 M CA 1.399 56.770 55.300 0.119 0.000 1.110 476 M CB -0.522 32.189 32.600 0.184 0.000 1.407 476 M HN 0.260 nan 8.290 nan 0.000 0.470 477 E N -0.561 119.696 120.200 0.095 0.000 2.406 477 E HA 0.011 4.364 4.350 0.005 0.000 0.204 477 E C 1.006 177.654 176.600 0.080 0.000 0.820 477 E CA 0.215 56.675 56.400 0.100 0.000 1.136 477 E CB 0.569 30.319 29.700 0.083 0.000 1.129 477 E HN 0.182 nan 8.360 nan 0.000 0.530 478 E N 1.461 121.692 120.200 0.051 0.000 2.494 478 E HA 0.017 4.370 4.350 0.005 0.000 0.193 478 E C 0.155 176.782 176.600 0.045 0.000 1.074 478 E CA 0.184 56.611 56.400 0.044 0.000 0.867 478 E CB 0.037 29.753 29.700 0.027 0.000 0.924 478 E HN 0.235 nan 8.360 nan 0.000 0.502 479 T N -2.282 112.302 114.554 0.049 0.000 2.944 479 T HA 0.244 4.596 4.350 0.005 0.000 0.284 479 T C 0.372 175.135 174.700 0.106 0.000 1.010 479 T CA -0.794 61.336 62.100 0.050 0.000 1.025 479 T CB 1.805 70.671 68.868 -0.004 0.000 1.079 479 T HN 0.064 nan 8.240 nan 0.000 0.516 480 H N 1.094 120.165 119.070 0.001 0.000 2.836 480 H HA -0.024 4.535 4.556 0.004 0.000 0.368 480 H C 1.067 176.411 175.328 0.027 0.000 1.164 480 H CA 0.173 56.216 56.048 -0.008 0.000 1.425 480 H CB 0.524 30.211 29.762 -0.124 0.000 1.414 480 H HN 0.942 nan 8.280 nan 0.000 0.614 481 W N 3.356 124.420 121.300 -0.394 0.000 2.425 481 W HA -0.147 4.516 4.660 0.005 0.000 0.277 481 W C 1.343 177.954 176.519 0.155 0.000 1.231 481 W CA 1.198 58.518 57.345 -0.041 0.000 1.248 481 W CB -1.137 28.252 29.460 -0.118 0.000 1.117 481 W HN 0.559 nan 8.180 nan 0.000 0.568 482 T N 0.795 114.989 114.554 -0.601 0.000 2.897 482 T HA -0.229 4.124 4.350 0.005 0.000 0.271 482 T C 1.985 176.649 174.700 -0.060 0.000 1.084 482 T CA 1.996 63.794 62.100 -0.502 0.000 1.123 482 T CB -1.221 67.301 68.868 -0.577 0.000 0.865 482 T HN 0.206 nan 8.240 nan 0.000 0.496 483 V N -2.114 117.790 119.914 -0.016 0.000 2.453 483 V HA -0.169 3.954 4.120 0.005 0.000 0.252 483 V C 2.186 178.267 176.094 -0.021 0.000 1.068 483 V CA 1.257 63.536 62.300 -0.034 0.000 1.070 483 V CB -1.601 30.149 31.823 -0.122 0.000 0.664 483 V HN 0.652 nan 8.190 nan 0.000 0.461 484 W N 0.223 121.627 121.300 0.174 0.000 2.425 484 W HA 0.154 4.817 4.660 0.005 0.000 0.277 484 W C 2.358 179.018 176.519 0.235 0.000 1.231 484 W CA 1.004 58.471 57.345 0.203 0.000 1.248 484 W CB -0.340 29.239 29.460 0.198 0.000 1.117 484 W HN 0.223 nan 8.180 nan 0.000 0.568 485 I N -0.440 120.357 120.570 0.378 0.000 2.226 485 I HA -0.307 3.865 4.170 0.005 0.000 0.245 485 I C 2.205 178.534 176.117 0.353 0.000 1.100 485 I CA 1.531 63.034 61.300 0.338 0.000 1.374 485 I CB -1.029 37.095 38.000 0.207 0.000 1.057 485 I HN -0.128 nan 8.210 nan 0.000 0.413 486 T N 0.290 114.992 114.554 0.246 0.000 2.812 486 T HA -0.081 4.271 4.350 0.005 0.000 0.264 486 T C 2.033 176.902 174.700 0.282 0.000 1.042 486 T CA 1.024 63.272 62.100 0.246 0.000 1.140 486 T CB -0.164 68.807 68.868 0.172 0.000 0.870 486 T HN 0.274 nan 8.240 nan 0.000 0.445 487 R N 0.238 120.865 120.500 0.212 0.000 2.073 487 R HA -0.033 4.309 4.340 0.005 0.000 0.234 487 R C 2.186 178.641 176.300 0.258 0.000 1.134 487 R CA 1.498 57.670 56.100 0.121 0.000 0.952 487 R CB -0.619 29.635 30.300 -0.077 0.000 0.850 487 R HN 0.348 nan 8.270 nan 0.000 0.433 488 F N 0.594 120.699 119.950 0.259 0.000 2.065 488 F HA -0.326 4.204 4.527 0.004 0.000 0.298 488 F C 2.204 178.147 175.800 0.237 0.000 1.112 488 F CA 1.626 59.774 58.000 0.246 0.000 1.212 488 F CB -0.601 38.559 39.000 0.268 0.000 0.975 488 F HN 0.002 nan 8.300 nan 0.000 0.476 489 Y N 1.413 121.788 120.300 0.125 0.000 2.145 489 Y HA -0.218 4.334 4.550 0.004 0.000 0.286 489 Y C 2.319 178.255 175.900 0.059 0.000 1.145 489 Y CA 2.392 60.501 58.100 0.016 0.000 1.148 489 Y CB -0.653 37.894 38.460 0.145 0.000 0.981 489 Y HN 0.301 nan 8.280 nan 0.000 0.507 490 I N -2.332 118.344 120.570 0.177 0.000 2.761 490 I HA -0.105 4.068 4.170 0.005 0.000 0.261 490 I C 1.888 178.205 176.117 0.332 0.000 1.198 490 I CA 1.190 62.655 61.300 0.275 0.000 1.482 490 I CB -0.603 37.645 38.000 0.413 0.000 1.100 490 I HN 0.156 nan 8.210 nan 0.000 0.445 491 I N 2.504 123.122 120.570 0.082 0.000 2.226 491 I HA -0.147 4.026 4.170 0.005 0.000 0.245 491 I C 2.823 178.886 176.117 -0.091 0.000 1.100 491 I CA 1.602 62.861 61.300 -0.069 0.000 1.374 491 I CB -0.872 37.064 38.000 -0.107 0.000 1.057 491 I HN 0.363 nan 8.210 nan 0.000 0.413 492 G N 1.105 109.765 108.800 -0.233 0.000 2.440 492 G HA2 -0.214 3.749 3.960 0.005 0.000 0.218 492 G HA3 -0.214 3.749 3.960 0.005 0.000 0.218 492 G C 1.726 176.557 174.900 -0.114 0.000 1.154 492 G CA 0.568 45.506 45.100 -0.269 0.000 0.767 492 G HN 0.270 nan 8.290 nan 0.000 0.552 493 L N -0.926 120.239 121.223 -0.096 0.000 2.079 493 L HA -0.030 4.313 4.340 0.005 0.000 0.210 493 L C 2.559 179.591 176.870 0.270 0.000 1.081 493 L CA 1.032 55.941 54.840 0.114 0.000 0.752 493 L CB -0.372 41.785 42.059 0.163 0.000 0.896 493 L HN 0.264 nan 8.230 nan 0.000 0.433 494 F N 0.481 120.455 119.950 0.040 0.000 2.134 494 F HA -0.243 4.287 4.527 0.004 0.000 0.299 494 F C 2.209 177.882 175.800 -0.213 0.000 1.097 494 F CA 1.537 59.363 58.000 -0.290 0.000 1.264 494 F CB -0.045 38.466 39.000 -0.815 0.000 1.001 494 F HN -0.109 nan 8.300 nan 0.000 0.479 495 L N -1.106 120.146 121.223 0.048 0.000 2.093 495 L HA -0.198 4.145 4.340 0.005 0.000 0.208 495 L C 2.363 179.232 176.870 -0.002 0.000 1.085 495 L CA 1.168 56.008 54.840 -0.001 0.000 0.755 495 L CB -0.955 41.104 42.059 0.000 0.000 0.904 495 L HN 0.226 nan 8.230 nan 0.000 0.435 496 F N 1.026 120.917 119.950 -0.098 0.000 2.095 496 F HA -0.233 4.297 4.527 0.004 0.000 0.298 496 F C 2.136 177.906 175.800 -0.050 0.000 1.104 496 F CA 1.601 59.575 58.000 -0.044 0.000 1.232 496 F CB -0.350 38.614 39.000 -0.060 0.000 0.987 496 F HN -0.133 nan 8.300 nan 0.000 0.475 497 L N -0.397 120.571 121.223 -0.426 0.000 2.046 497 L HA -0.221 4.122 4.340 0.005 0.000 0.208 497 L C 2.374 178.917 176.870 -0.545 0.000 1.077 497 L CA 1.792 56.265 54.840 -0.612 0.000 0.747 497 L CB -1.246 40.499 42.059 -0.523 0.000 0.896 497 L HN 0.149 nan 8.230 nan 0.000 0.432 498 T N -0.230 114.029 114.554 -0.493 0.000 2.720 498 T HA -0.234 4.119 4.350 0.005 0.000 0.268 498 T C 1.623 176.250 174.700 -0.121 0.000 1.037 498 T CA 1.461 63.358 62.100 -0.339 0.000 1.144 498 T CB -0.384 68.320 68.868 -0.272 0.000 0.864 498 T HN 0.192 nan 8.240 nan 0.000 0.444 499 F N 1.816 121.623 119.950 -0.239 0.000 2.126 499 F HA -0.011 4.519 4.527 0.004 0.000 0.299 499 F C 1.896 177.643 175.800 -0.089 0.000 1.096 499 F CA 0.948 58.859 58.000 -0.149 0.000 1.255 499 F CB -0.514 38.397 39.000 -0.148 0.000 0.997 499 F HN 0.075 nan 8.300 nan 0.000 0.479 500 L N -1.065 119.971 121.223 -0.312 0.000 2.141 500 L HA -0.184 4.159 4.340 0.005 0.000 0.209 500 L C 2.347 179.195 176.870 -0.037 0.000 1.094 500 L CA 0.766 55.452 54.840 -0.256 0.000 0.763 500 L CB -0.964 40.953 42.059 -0.236 0.000 0.908 500 L HN -0.001 nan 8.230 nan 0.000 0.437 501 V N -0.045 119.827 119.914 -0.070 0.000 2.343 501 V HA -0.319 3.804 4.120 0.005 0.000 0.247 501 V C 2.278 178.347 176.094 -0.041 0.000 1.051 501 V CA 1.987 64.288 62.300 0.003 0.000 1.036 501 V CB -0.596 31.158 31.823 -0.114 0.000 0.654 501 V HN 0.368 nan 8.190 nan 0.000 0.451 502 F N 0.422 120.251 119.950 -0.201 0.000 2.095 502 F HA -0.199 4.331 4.527 0.004 0.000 0.298 502 F C 2.067 177.712 175.800 -0.259 0.000 1.104 502 F CA 1.785 59.663 58.000 -0.203 0.000 1.232 502 F CB -0.207 38.695 39.000 -0.163 0.000 0.987 502 F HN 0.029 nan 8.300 nan 0.000 0.475 503 L N 0.032 121.101 121.223 -0.257 0.000 2.131 503 L HA -0.189 4.153 4.340 0.005 0.000 0.210 503 L C 2.802 179.478 176.870 -0.323 0.000 1.092 503 L CA 1.052 55.675 54.840 -0.361 0.000 0.759 503 L CB -1.161 40.667 42.059 -0.384 0.000 0.903 503 L HN 0.310 nan 8.230 nan 0.000 0.435 504 A N 0.778 123.452 122.820 -0.243 0.000 1.898 504 A HA -0.204 4.119 4.320 0.005 0.000 0.216 504 A C 2.209 179.655 177.584 -0.230 0.000 1.181 504 A CA 1.524 53.429 52.037 -0.220 0.000 0.620 504 A CB -0.445 18.448 19.000 -0.178 0.000 0.819 504 A HN 0.613 nan 8.150 nan 0.000 0.442 505 E N -0.412 119.626 120.200 -0.269 0.000 2.150 505 E HA -0.199 4.154 4.350 0.005 0.000 0.193 505 E C 1.858 178.274 176.600 -0.306 0.000 0.985 505 E CA 0.860 57.089 56.400 -0.285 0.000 0.814 505 E CB -0.321 29.200 29.700 -0.298 0.000 0.752 505 E HN 0.450 nan 8.360 nan 0.000 0.466 506 R N 0.803 121.050 120.500 -0.421 0.000 2.090 506 R HA 0.005 4.348 4.340 0.005 0.000 0.228 506 R C 2.425 178.609 176.300 -0.194 0.000 1.110 506 R CA 0.918 56.811 56.100 -0.346 0.000 0.973 506 R CB -0.608 29.424 30.300 -0.446 0.000 0.869 506 R HN 0.250 nan 8.270 nan 0.000 0.440 507 R N 1.215 121.593 120.500 -0.204 0.000 2.081 507 R HA -0.060 4.283 4.340 0.005 0.000 0.235 507 R C 2.249 178.513 176.300 -0.060 0.000 1.131 507 R CA 1.140 57.153 56.100 -0.145 0.000 0.960 507 R CB -0.038 30.158 30.300 -0.173 0.000 0.856 507 R HN 0.123 nan 8.270 nan 0.000 0.436 508 R N 0.301 120.750 120.500 -0.085 0.000 2.103 508 R HA -0.144 4.198 4.340 0.005 0.000 0.234 508 R C 2.066 178.350 176.300 -0.026 0.000 1.132 508 R CA 2.058 58.128 56.100 -0.050 0.000 0.925 508 R CB -0.543 29.714 30.300 -0.070 0.000 0.842 508 R HN 0.316 nan 8.270 nan 0.000 0.430 509 N N 0.407 119.078 118.700 -0.048 0.000 2.060 509 N HA -0.245 4.498 4.740 0.005 0.000 0.195 509 N C 1.597 177.103 175.510 -0.006 0.000 1.028 509 N CA 1.231 54.259 53.050 -0.036 0.000 0.861 509 N CB -0.986 37.464 38.487 -0.062 0.000 1.029 509 N HN 0.398 nan 8.380 nan 0.000 0.428 510 H N 1.213 120.235 119.070 -0.081 0.000 2.561 510 H HA 0.008 4.566 4.556 0.005 0.000 0.289 510 H C -0.245 175.053 175.328 -0.050 0.000 1.054 510 H CA 0.790 56.799 56.048 -0.064 0.000 1.210 510 H CB 0.184 29.902 29.762 -0.074 0.000 1.353 510 H HN 0.401 nan 8.280 nan 0.000 0.601 511 E N 0.000 120.168 120.200 -0.053 0.000 2.725 511 E HA 0.000 4.353 4.350 0.005 0.000 0.291 511 E CA 0.000 56.357 56.400 -0.071 0.000 0.976 511 E CB 0.000 29.700 29.700 0.000 0.000 0.812 511 E HN 0.000 nan 8.360 nan 0.000 0.440