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 3frx_1_D DATA FIRST_RESID 2 DATA SEQUENCE ASNEVLVLRG TLEGHNGWVT SLATSAGQPN LLLSASRDKT LISWKLTGDD DATA SEQUENCE QKFGVPVRSF KGHSHIVQDC TLTADGAYAL SASWDKTLRL WDVATGETYQ DATA SEQUENCE RFVGHKSDVX SVDIDKKASX IISGSRDKTI KVWTIKGQCL ATLLGHNDWV DATA SEQUENCE SQVRVVPNXX XXXXSVTIIS AGNDKXVKAW NLNQFQIEAD FIGHNSNINT DATA SEQUENCE LTASPDGTLI ASAGKDGEIX LWNLAAKKAX YTLSAQDEVF SLAFSPNRYW DATA SEQUENCE LAAATATGIK VFSLDPQYLV DDLRPEFAGY SKAAEPHAVS LAWSADGQTL DATA SEQUENCE FAGYTDNVIR VWQVXTAN 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.627 177.584 0.072 0.000 1.274 2 A CA 0.000 52.068 52.037 0.052 0.000 0.836 2 A CB 0.000 19.018 19.000 0.030 0.000 0.831 3 S N -1.182 114.559 115.700 0.069 0.000 3.089 3 S HA -0.122 4.348 4.470 -0.000 0.000 0.857 3 S C -0.421 174.241 174.600 0.104 0.000 1.012 3 S CA 0.632 58.887 58.200 0.090 0.000 1.286 3 S CB -0.350 62.925 63.200 0.125 0.000 0.913 3 S HN 1.896 nan 8.310 nan 0.000 0.247 4 N N 2.755 121.510 118.700 0.092 0.000 2.635 4 N HA 0.302 5.042 4.740 -0.000 0.000 0.307 4 N C -0.690 174.880 175.510 0.099 0.000 1.433 4 N CA -0.111 52.986 53.050 0.079 0.000 0.973 4 N CB 0.369 38.889 38.487 0.055 0.000 1.304 4 N HN 0.614 nan 8.380 nan 0.000 0.507 5 E N -0.504 119.783 120.200 0.146 0.000 2.238 5 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 5 E C -0.825 175.893 176.600 0.198 0.000 0.887 5 E CA -1.116 55.394 56.400 0.184 0.000 0.769 5 E CB 2.364 32.212 29.700 0.246 0.000 1.187 5 E HN 0.109 nan 8.360 nan 0.000 0.416 6 V N -0.685 119.335 119.914 0.176 0.000 3.159 6 V HA 0.562 4.682 4.120 -0.000 0.000 0.308 6 V C -0.975 175.219 176.094 0.166 0.000 1.190 6 V CA -1.185 61.199 62.300 0.141 0.000 1.037 6 V CB 1.399 33.275 31.823 0.089 0.000 1.060 6 V HN 0.543 nan 8.190 nan 0.000 0.437 7 L N 2.152 123.453 121.223 0.129 0.000 2.275 7 L HA 0.728 5.068 4.340 -0.000 0.000 0.288 7 L C -0.670 176.340 176.870 0.233 0.000 1.046 7 L CA -0.573 54.369 54.840 0.170 0.000 0.805 7 L CB 1.642 43.725 42.059 0.041 0.000 1.193 7 L HN 0.565 nan 8.230 nan 0.000 0.426 8 V N 4.281 124.360 119.914 0.276 0.000 2.531 8 V HA 0.255 4.375 4.120 -0.000 0.000 0.301 8 V C -0.148 175.989 176.094 0.072 0.000 1.034 8 V CA -0.762 61.655 62.300 0.196 0.000 0.865 8 V CB 2.105 33.979 31.823 0.085 0.000 0.995 8 V HN 0.441 nan 8.190 nan 0.000 0.424 9 L N 6.124 127.267 121.223 -0.133 0.000 2.562 9 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 9 L C 1.331 177.947 176.870 -0.423 0.000 1.167 9 L CA 0.905 55.321 54.840 -0.706 0.000 0.917 9 L CB 0.110 41.780 42.059 -0.647 0.000 1.187 9 L HN 0.546 nan 8.230 nan 0.000 0.482 10 R N 3.391 123.611 120.500 -0.467 0.000 2.175 10 R HA 0.449 4.789 4.340 -0.000 0.000 0.202 10 R C 0.569 176.743 176.300 -0.210 0.000 1.018 10 R CA 0.609 56.563 56.100 -0.243 0.000 1.029 10 R CB 0.432 30.639 30.300 -0.154 0.000 0.959 10 R HN 0.847 nan 8.270 nan 0.000 0.480 11 G N -0.505 108.069 108.800 -0.376 0.000 2.341 11 G HA2 0.211 4.171 3.960 -0.000 0.000 0.299 11 G HA3 0.211 4.171 3.960 -0.000 0.000 0.299 11 G C -1.338 173.359 174.900 -0.339 0.000 1.274 11 G CA -0.116 44.833 45.100 -0.253 0.000 0.853 11 G HN 0.080 nan 8.290 nan 0.000 0.493 12 T N -1.923 112.508 114.554 -0.205 0.000 2.906 12 T HA 0.747 5.097 4.350 -0.000 0.000 0.295 12 T C -0.914 173.700 174.700 -0.144 0.000 1.075 12 T CA -0.737 61.237 62.100 -0.209 0.000 1.005 12 T CB 1.888 70.651 68.868 -0.175 0.000 1.136 12 T HN 0.636 nan 8.240 nan 0.000 0.498 13 L N 1.960 123.045 121.223 -0.230 0.000 2.342 13 L HA 0.512 4.852 4.340 -0.000 0.000 0.276 13 L C -0.092 176.662 176.870 -0.193 0.000 0.997 13 L CA -0.711 53.909 54.840 -0.367 0.000 0.838 13 L CB 1.424 42.867 42.059 -1.027 0.000 1.224 13 L HN 0.740 nan 8.230 nan 0.000 0.416 14 E N 1.727 121.989 120.200 0.103 0.000 2.202 14 E HA 0.692 5.042 4.350 -0.000 0.000 0.272 14 E C 0.531 177.389 176.600 0.431 0.000 0.951 14 E CA -0.300 56.227 56.400 0.212 0.000 0.813 14 E CB 2.340 32.112 29.700 0.120 0.000 1.151 14 E HN 0.753 nan 8.360 nan 0.000 0.398 15 G N 1.639 110.643 108.800 0.341 0.000 3.827 15 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 15 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 15 G C -0.047 174.868 174.900 0.026 0.000 0.892 15 G CA -0.506 44.689 45.100 0.158 0.000 0.857 15 G HN 0.479 nan 8.290 nan 0.000 0.508 16 H N 0.333 119.540 119.070 0.228 0.000 2.505 16 H HA 0.409 4.965 4.556 0.000 0.000 0.355 16 H C 0.181 175.573 175.328 0.107 0.000 1.179 16 H CA 0.342 56.480 56.048 0.149 0.000 1.343 16 H CB 1.260 31.130 29.762 0.180 0.000 1.501 16 H HN 0.226 nan 8.280 nan 0.000 0.569 17 N N -0.305 118.535 118.700 0.234 0.000 2.238 17 N HA 0.247 4.987 4.740 -0.000 0.000 0.235 17 N C 0.078 175.655 175.510 0.112 0.000 1.209 17 N CA -0.269 52.863 53.050 0.137 0.000 0.879 17 N CB 1.440 39.976 38.487 0.081 0.000 1.136 17 N HN 0.605 nan 8.380 nan 0.000 0.517 18 G N -0.628 108.254 108.800 0.137 0.000 2.682 18 G HA2 0.279 4.239 3.960 -0.000 0.000 0.290 18 G HA3 0.279 4.239 3.960 -0.000 0.000 0.290 18 G C -1.531 173.484 174.900 0.191 0.000 1.425 18 G CA -0.815 44.341 45.100 0.094 0.000 0.807 18 G HN 0.026 nan 8.290 nan 0.000 0.482 19 W N 0.481 121.726 121.300 -0.092 0.000 2.409 19 W HA 0.253 4.913 4.660 -0.000 0.000 0.338 19 W C 0.553 176.981 176.519 -0.151 0.000 1.273 19 W CA -0.698 56.581 57.345 -0.110 0.000 1.299 19 W CB -0.075 29.302 29.460 -0.138 0.000 1.192 19 W HN 0.125 nan 8.180 nan 0.000 0.565 20 V N 5.093 125.045 119.914 0.064 0.000 2.352 20 V HA -0.018 4.102 4.120 -0.000 0.000 0.253 20 V C 1.348 177.423 176.094 -0.032 0.000 1.083 20 V CA 0.561 62.828 62.300 -0.055 0.000 0.993 20 V CB -0.286 31.538 31.823 0.003 0.000 1.111 20 V HN 0.722 nan 8.190 nan 0.000 0.490 21 T N 0.188 114.720 114.554 -0.036 0.000 3.043 21 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 21 T C 0.782 175.482 174.700 0.000 0.000 1.094 21 T CA 0.630 62.736 62.100 0.010 0.000 1.127 21 T CB 0.337 69.212 68.868 0.012 0.000 0.905 21 T HN 0.558 nan 8.240 nan 0.000 0.490 22 S N -0.523 115.164 115.700 -0.021 0.000 2.537 22 S HA 0.678 5.148 4.470 -0.000 0.000 0.271 22 S C -1.876 172.722 174.600 -0.003 0.000 1.148 22 S CA -0.980 57.217 58.200 -0.004 0.000 0.868 22 S CB 1.079 64.277 63.200 -0.003 0.000 1.115 22 S HN 0.378 nan 8.310 nan 0.000 0.461 23 L N 2.406 123.634 121.223 0.009 0.000 2.371 23 L HA 0.992 5.332 4.340 -0.000 0.000 0.262 23 L C -0.456 176.422 176.870 0.013 0.000 1.006 23 L CA -0.878 53.965 54.840 0.004 0.000 0.818 23 L CB 2.168 44.229 42.059 0.004 0.000 1.354 23 L HN 0.825 nan 8.230 nan 0.000 0.415 24 A N 0.619 123.436 122.820 -0.006 0.000 2.517 24 A HA 0.823 5.143 4.320 -0.000 0.000 0.297 24 A C -0.643 176.944 177.584 0.004 0.000 1.050 24 A CA -0.394 51.655 52.037 0.019 0.000 0.694 24 A CB 1.940 20.948 19.000 0.014 0.000 1.277 24 A HN 0.671 nan 8.150 nan 0.000 0.400 25 T N -1.134 113.453 114.554 0.055 0.000 2.888 25 T HA 0.903 5.253 4.350 -0.000 0.000 0.288 25 T C -0.125 174.630 174.700 0.092 0.000 1.063 25 T CA -0.119 62.022 62.100 0.068 0.000 1.010 25 T CB 1.574 70.524 68.868 0.136 0.000 1.214 25 T HN 2.040 nan 8.240 nan 0.000 0.533 26 S N -0.622 115.135 115.700 0.096 0.000 2.540 26 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 26 S C 1.046 175.704 174.600 0.096 0.000 1.123 26 S CA -0.418 57.837 58.200 0.093 0.000 0.907 26 S CB 1.398 64.646 63.200 0.080 0.000 1.081 26 S HN 1.298 nan 8.310 nan 0.000 0.476 27 A N 2.672 125.546 122.820 0.089 0.000 2.015 27 A HA 0.233 4.553 4.320 -0.000 0.000 0.219 27 A C 2.016 179.643 177.584 0.071 0.000 1.163 27 A CA 1.693 53.778 52.037 0.081 0.000 0.646 27 A CB -1.478 17.564 19.000 0.069 0.000 0.806 27 A HN 1.345 nan 8.150 nan 0.000 0.448 28 G N -1.394 107.448 108.800 0.070 0.000 2.418 28 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 28 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 28 G C 0.821 175.757 174.900 0.060 0.000 1.158 28 G CA 0.644 45.781 45.100 0.062 0.000 0.771 28 G HN 0.493 nan 8.290 nan 0.000 0.545 29 Q N 0.236 120.076 119.800 0.067 0.000 2.798 29 Q HA 0.177 4.517 4.340 -0.000 0.000 0.250 29 Q C -2.021 174.028 176.000 0.081 0.000 1.006 29 Q CA -1.610 54.232 55.803 0.066 0.000 0.759 29 Q CB 2.290 31.064 28.738 0.059 0.000 1.201 29 Q HN 0.277 nan 8.270 nan 0.000 0.486 30 P HA -0.144 nan 4.420 nan 0.000 0.221 30 P C 0.397 177.776 177.300 0.131 0.000 1.145 30 P CA 1.094 64.263 63.100 0.116 0.000 0.795 30 P CB 0.490 32.252 31.700 0.104 0.000 0.775 31 N N -0.517 118.244 118.700 0.102 0.000 2.268 31 N HA 0.091 4.831 4.740 -0.000 0.000 0.204 31 N C 0.267 175.838 175.510 0.103 0.000 1.124 31 N CA -0.073 53.039 53.050 0.103 0.000 0.838 31 N CB 0.062 38.590 38.487 0.068 0.000 0.994 31 N HN 0.212 nan 8.380 nan 0.000 0.489 32 L N 0.966 122.245 121.223 0.092 0.000 2.307 32 L HA 0.574 4.914 4.340 -0.000 0.000 0.284 32 L C -1.099 175.797 176.870 0.044 0.000 1.023 32 L CA -0.847 54.042 54.840 0.082 0.000 0.810 32 L CB 1.333 43.435 42.059 0.071 0.000 1.231 32 L HN -0.137 nan 8.230 nan 0.000 0.423 33 L N 5.194 126.451 121.223 0.057 0.000 2.386 33 L HA 0.676 5.016 4.340 -0.000 0.000 0.271 33 L C -1.662 175.293 176.870 0.140 0.000 0.993 33 L CA -0.435 54.382 54.840 -0.038 0.000 0.819 33 L CB 1.868 43.745 42.059 -0.303 0.000 1.294 33 L HN 0.721 nan 8.230 nan 0.000 0.414 34 L N 4.279 125.532 121.223 0.051 0.000 2.322 34 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 34 L C -0.655 176.268 176.870 0.088 0.000 1.014 34 L CA 0.217 55.087 54.840 0.050 0.000 0.815 34 L CB 1.902 43.911 42.059 -0.082 0.000 1.247 34 L HN 0.796 nan 8.230 nan 0.000 0.421 35 S N 3.625 119.443 115.700 0.197 0.000 2.536 35 S HA 0.978 5.448 4.470 -0.000 0.000 0.287 35 S C -0.661 174.023 174.600 0.141 0.000 1.101 35 S CA -0.368 57.973 58.200 0.236 0.000 0.950 35 S CB 1.692 65.222 63.200 0.549 0.000 1.056 35 S HN 0.998 nan 8.310 nan 0.000 0.481 36 A N 1.359 124.166 122.820 -0.022 0.000 2.330 36 A HA 0.956 5.276 4.320 -0.000 0.000 0.329 36 A C -0.054 177.359 177.584 -0.285 0.000 1.135 36 A CA -0.790 51.180 52.037 -0.111 0.000 0.817 36 A CB 1.696 20.646 19.000 -0.084 0.000 1.269 36 A HN 1.352 nan 8.150 nan 0.000 0.469 37 S N -0.937 114.594 115.700 -0.281 0.000 2.607 37 S HA 0.438 4.908 4.470 -0.000 0.000 0.273 37 S C 0.288 174.779 174.600 -0.181 0.000 1.148 37 S CA -0.631 57.379 58.200 -0.317 0.000 0.833 37 S CB 1.314 64.165 63.200 -0.582 0.000 1.130 37 S HN 0.628 nan 8.310 nan 0.000 0.470 38 R N 0.517 120.916 120.500 -0.169 0.000 2.323 38 R HA 0.023 4.363 4.340 -0.000 0.000 0.198 38 R C 0.304 176.502 176.300 -0.169 0.000 0.988 38 R CA 1.105 57.055 56.100 -0.251 0.000 1.041 38 R CB -0.309 29.771 30.300 -0.366 0.000 0.926 38 R HN 0.677 nan 8.270 nan 0.000 0.476 39 D N 0.192 120.549 120.400 -0.071 0.000 2.324 39 D HA -0.051 4.589 4.640 -0.000 0.000 0.235 39 D C 0.050 176.357 176.300 0.011 0.000 1.095 39 D CA 0.010 54.005 54.000 -0.008 0.000 0.871 39 D CB 0.003 40.852 40.800 0.082 0.000 0.906 39 D HN -0.008 nan 8.370 nan 0.000 0.522 40 K N -1.626 118.768 120.400 -0.011 0.000 3.512 40 K HA -0.162 4.158 4.320 -0.000 0.000 0.309 40 K C 0.052 176.722 176.600 0.116 0.000 1.350 40 K CA 1.314 57.630 56.287 0.048 0.000 0.960 40 K CB -2.547 29.987 32.500 0.057 0.000 1.290 40 K HN 0.574 nan 8.250 nan 0.000 0.454 41 T N -1.708 112.907 114.554 0.101 0.000 2.907 41 T HA 0.768 5.118 4.350 -0.000 0.000 0.290 41 T C -0.387 174.383 174.700 0.117 0.000 1.066 41 T CA -1.161 61.004 62.100 0.109 0.000 1.012 41 T CB 1.998 70.925 68.868 0.099 0.000 1.184 41 T HN 0.039 nan 8.240 nan 0.000 0.522 42 L N 0.515 121.747 121.223 0.016 0.000 2.319 42 L HA 0.729 5.069 4.340 -0.000 0.000 0.267 42 L C -0.489 176.446 176.870 0.109 0.000 1.011 42 L CA -0.910 53.921 54.840 -0.014 0.000 0.818 42 L CB 1.722 43.494 42.059 -0.478 0.000 1.316 42 L HN 0.663 nan 8.230 nan 0.000 0.432 43 I N 0.370 120.983 120.570 0.072 0.000 2.533 43 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 43 I C -0.552 175.469 176.117 -0.161 0.000 1.056 43 I CA -0.498 60.707 61.300 -0.158 0.000 1.057 43 I CB 2.322 39.918 38.000 -0.674 0.000 1.240 43 I HN 0.650 nan 8.210 nan 0.000 0.423 44 S N 3.902 119.573 115.700 -0.049 0.000 2.508 44 S HA 0.599 5.069 4.470 -0.000 0.000 0.284 44 S C -1.386 173.076 174.600 -0.229 0.000 1.192 44 S CA -0.612 57.582 58.200 -0.010 0.000 1.070 44 S CB 0.686 64.002 63.200 0.194 0.000 1.004 44 S HN 0.445 nan 8.310 nan 0.000 0.493 45 W N 1.347 122.651 121.300 0.008 0.000 2.666 45 W HA 0.535 5.195 4.660 -0.000 0.000 0.334 45 W C 0.174 176.698 176.519 0.009 0.000 1.051 45 W CA -0.956 56.391 57.345 0.003 0.000 1.224 45 W CB 1.465 30.923 29.460 -0.002 0.000 1.405 45 W HN 0.643 nan 8.180 nan 0.000 0.513 46 K N 3.520 124.058 120.400 0.230 0.000 2.253 46 K HA 0.450 4.770 4.320 -0.000 0.000 0.277 46 K C -0.883 175.810 176.600 0.155 0.000 1.053 46 K CA -0.387 55.987 56.287 0.145 0.000 0.892 46 K CB 0.374 32.920 32.500 0.078 0.000 1.102 46 K HN 0.573 nan 8.250 nan 0.000 0.469 47 L N 5.093 126.392 121.223 0.127 0.000 2.278 47 L HA 0.188 4.528 4.340 -0.000 0.000 0.287 47 L C 1.413 178.242 176.870 -0.069 0.000 1.072 47 L CA -0.427 54.458 54.840 0.075 0.000 0.819 47 L CB 1.221 43.389 42.059 0.181 0.000 1.176 47 L HN 0.861 nan 8.230 nan 0.000 0.435 48 T N -2.253 112.191 114.554 -0.184 0.000 3.018 48 T HA 0.127 4.477 4.350 -0.000 0.000 0.246 48 T C 1.254 175.726 174.700 -0.380 0.000 1.026 48 T CA 0.462 62.442 62.100 -0.199 0.000 1.081 48 T CB 0.304 69.102 68.868 -0.117 0.000 0.970 48 T HN 0.810 nan 8.240 nan 0.000 0.475 49 G N 2.164 110.473 108.800 -0.817 0.000 2.295 49 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.287 49 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.287 49 G C -0.529 174.149 174.900 -0.369 0.000 1.055 49 G CA 0.234 44.700 45.100 -1.056 0.000 0.922 49 G HN 0.596 nan 8.290 nan 0.000 0.503 50 D N -0.200 120.060 120.400 -0.233 0.000 2.588 50 D HA 0.407 5.047 4.640 -0.000 0.000 0.268 50 D C 0.462 176.748 176.300 -0.022 0.000 1.176 50 D CA -0.181 53.766 54.000 -0.090 0.000 1.080 50 D CB 0.343 41.103 40.800 -0.067 0.000 1.186 50 D HN 0.269 nan 8.370 nan 0.000 0.619 51 D N 0.055 120.449 120.400 -0.011 0.000 2.482 51 D HA 0.016 4.656 4.640 -0.000 0.000 0.244 51 D C 0.565 176.871 176.300 0.010 0.000 1.242 51 D CA 0.044 54.046 54.000 0.002 0.000 1.097 51 D CB -0.159 40.639 40.800 -0.003 0.000 1.109 51 D HN 0.593 nan 8.370 nan 0.000 0.510 52 Q N 0.207 120.020 119.800 0.022 0.000 2.342 52 Q HA -0.277 4.063 4.340 -0.000 0.000 0.196 52 Q C -0.994 175.026 176.000 0.034 0.000 0.629 52 Q CA 1.385 57.198 55.803 0.017 0.000 1.365 52 Q CB -1.700 27.037 28.738 -0.001 0.000 1.406 52 Q HN 0.466 nan 8.270 nan 0.000 0.840 53 K N 0.247 120.676 120.400 0.048 0.000 2.530 53 K HA 0.268 4.588 4.320 -0.000 0.000 0.230 53 K C -0.456 176.203 176.600 0.098 0.000 1.002 53 K CA -0.358 55.973 56.287 0.073 0.000 1.014 53 K CB 0.201 32.733 32.500 0.054 0.000 1.286 53 K HN 0.181 nan 8.250 nan 0.000 0.480 54 F N 1.352 121.299 119.950 -0.005 0.000 2.365 54 F HA -0.032 4.495 4.527 0.000 0.000 0.300 54 F C 0.873 176.706 175.800 0.055 0.000 1.090 54 F CA 1.088 59.093 58.000 0.008 0.000 1.408 54 F CB 0.596 39.582 39.000 -0.022 0.000 1.060 54 F HN 0.545 nan 8.300 nan 0.000 0.534 55 G N -0.920 108.004 108.800 0.207 0.000 2.451 55 G HA2 0.457 4.417 3.960 -0.000 0.000 0.292 55 G HA3 0.457 4.417 3.960 -0.000 0.000 0.292 55 G C -2.053 173.015 174.900 0.279 0.000 1.427 55 G CA -0.208 45.015 45.100 0.206 0.000 0.792 55 G HN 0.453 nan 8.290 nan 0.000 0.498 56 V N -2.701 117.392 119.914 0.298 0.000 2.962 56 V HA 0.913 5.033 4.120 -0.000 0.000 0.313 56 V C -2.900 173.319 176.094 0.210 0.000 1.099 56 V CA -2.794 59.668 62.300 0.270 0.000 0.971 56 V CB 2.147 34.036 31.823 0.111 0.000 1.028 56 V HN 0.592 nan 8.190 nan 0.000 0.430 57 P HA 0.331 nan 4.420 nan 0.000 0.271 57 P C 0.609 177.746 177.300 -0.272 0.000 1.216 57 P CA 0.091 62.886 63.100 -0.507 0.000 0.771 57 P CB 1.270 32.576 31.700 -0.657 0.000 0.864 58 V N 1.316 121.070 119.914 -0.267 0.000 3.013 58 V HA 0.369 4.489 4.120 -0.000 0.000 0.238 58 V C 0.544 176.511 176.094 -0.212 0.000 1.161 58 V CA 0.622 62.821 62.300 -0.169 0.000 1.170 58 V CB -0.264 31.506 31.823 -0.088 0.000 0.917 58 V HN 0.268 nan 8.190 nan 0.000 0.478 59 R N 0.780 121.124 120.500 -0.260 0.000 2.744 59 R HA 0.724 5.064 4.340 -0.000 0.000 0.279 59 R C -0.978 175.073 176.300 -0.415 0.000 0.977 59 R CA -0.078 55.795 56.100 -0.379 0.000 0.906 59 R CB 1.883 31.859 30.300 -0.540 0.000 1.197 59 R HN 0.378 nan 8.270 nan 0.000 0.463 60 S N 1.718 117.148 115.700 -0.450 0.000 2.454 60 S HA 0.616 5.086 4.470 -0.000 0.000 0.306 60 S C -1.057 173.266 174.600 -0.462 0.000 1.100 60 S CA -0.575 57.428 58.200 -0.328 0.000 1.087 60 S CB 0.347 63.409 63.200 -0.231 0.000 1.019 60 S HN 0.383 nan 8.310 nan 0.000 0.480 61 F N 4.373 124.111 119.950 -0.354 0.000 2.293 61 F HA 0.444 4.971 4.527 0.000 0.000 0.370 61 F C 0.598 176.156 175.800 -0.403 0.000 1.090 61 F CA -0.747 56.892 58.000 -0.601 0.000 1.133 61 F CB 1.000 39.206 39.000 -1.324 0.000 1.360 61 F HN 0.288 nan 8.300 nan 0.000 0.489 62 K N 1.508 121.962 120.400 0.089 0.000 2.221 62 K HA 0.793 5.113 4.320 -0.000 0.000 0.258 62 K C 0.536 177.364 176.600 0.379 0.000 0.944 62 K CA -0.710 55.692 56.287 0.192 0.000 0.823 62 K CB 2.250 34.799 32.500 0.081 0.000 1.113 62 K HN 0.752 nan 8.250 nan 0.000 0.431 63 G N 1.096 110.086 108.800 0.316 0.000 3.847 63 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.189 63 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.189 63 G C -0.311 174.652 174.900 0.105 0.000 0.907 63 G CA -0.476 44.732 45.100 0.181 0.000 0.893 63 G HN 0.541 nan 8.290 nan 0.000 0.379 64 H N 1.821 121.055 119.070 0.274 0.000 2.815 64 H HA 0.373 4.929 4.556 0.000 0.000 0.350 64 H C 1.374 176.780 175.328 0.129 0.000 1.080 64 H CA 1.124 57.288 56.048 0.193 0.000 1.433 64 H CB 1.701 31.590 29.762 0.211 0.000 1.432 64 H HN 0.329 nan 8.280 nan 0.000 0.592 65 S N 2.260 118.116 115.700 0.260 0.000 2.597 65 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 65 S C 0.483 175.158 174.600 0.126 0.000 0.955 65 S CA -0.134 58.153 58.200 0.145 0.000 0.933 65 S CB 0.242 63.509 63.200 0.113 0.000 0.788 65 S HN 0.652 nan 8.310 nan 0.000 0.488 66 H N -0.024 119.091 119.070 0.076 0.000 2.905 66 H HA 0.452 5.008 4.556 -0.000 0.000 0.280 66 H C -0.818 174.433 175.328 -0.128 0.000 1.445 66 H CA -1.372 54.667 56.048 -0.015 0.000 1.165 66 H CB 0.924 30.721 29.762 0.058 0.000 1.857 66 H HN 0.134 nan 8.280 nan 0.000 0.567 67 I N 1.784 122.416 120.570 0.104 0.000 2.906 67 I HA -0.105 4.065 4.170 -0.000 0.000 0.302 67 I C 0.259 176.177 176.117 -0.333 0.000 1.220 67 I CA 0.418 61.478 61.300 -0.399 0.000 1.441 67 I CB 0.171 37.433 38.000 -1.230 0.000 1.336 67 I HN 0.058 nan 8.210 nan 0.000 0.565 68 V N 7.253 127.027 119.914 -0.234 0.000 2.385 68 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 68 V C 0.677 176.691 176.094 -0.134 0.000 1.043 68 V CA -0.287 61.904 62.300 -0.182 0.000 0.906 68 V CB 1.249 33.011 31.823 -0.100 0.000 0.995 68 V HN 0.758 nan 8.190 nan 0.000 0.467 69 Q N 3.089 122.864 119.800 -0.041 0.000 2.259 69 Q HA 0.102 4.442 4.340 -0.000 0.000 0.201 69 Q C 0.349 176.366 176.000 0.029 0.000 0.938 69 Q CA 1.166 57.004 55.803 0.059 0.000 0.872 69 Q CB 0.369 29.244 28.738 0.228 0.000 0.971 69 Q HN 0.850 nan 8.270 nan 0.000 0.494 70 D N -1.525 118.876 120.400 0.001 0.000 2.596 70 D HA 0.507 5.147 4.640 -0.000 0.000 0.234 70 D C -1.497 174.795 176.300 -0.014 0.000 1.181 70 D CA -0.492 53.508 54.000 0.000 0.000 0.856 70 D CB 1.660 42.463 40.800 0.005 0.000 1.498 70 D HN 0.278 nan 8.370 nan 0.000 0.446 71 C N -0.029 119.265 119.300 -0.011 0.000 3.311 71 C HA 0.974 5.434 4.460 -0.000 0.000 0.325 71 C C -0.778 174.209 174.990 -0.006 0.000 1.352 71 C CA -0.483 58.523 59.018 -0.020 0.000 1.308 71 C CB 1.305 29.008 27.740 -0.062 0.000 1.619 71 C HN 0.617 nan 8.230 nan 0.000 0.469 72 T N 0.543 115.095 114.554 -0.003 0.000 2.802 72 T HA 0.644 4.994 4.350 -0.000 0.000 0.311 72 T C -1.835 172.882 174.700 0.029 0.000 1.405 72 T CA -0.440 61.672 62.100 0.019 0.000 1.016 72 T CB 1.285 70.174 68.868 0.034 0.000 1.352 72 T HN 0.861 nan 8.240 nan 0.000 0.498 73 L N 2.610 123.862 121.223 0.048 0.000 2.330 73 L HA 0.606 4.946 4.340 -0.000 0.000 0.271 73 L C 0.955 177.884 176.870 0.097 0.000 1.013 73 L CA -1.058 53.824 54.840 0.070 0.000 0.816 73 L CB 2.233 44.326 42.059 0.058 0.000 1.287 73 L HN 0.900 nan 8.230 nan 0.000 0.435 74 T N -1.265 113.371 114.554 0.137 0.000 2.802 74 T HA 0.199 4.549 4.350 -0.000 0.000 0.305 74 T C 1.260 176.031 174.700 0.118 0.000 1.053 74 T CA -0.043 62.143 62.100 0.144 0.000 1.058 74 T CB 1.145 70.145 68.868 0.220 0.000 0.988 74 T HN 0.678 nan 8.240 nan 0.000 0.539 75 A N 1.560 124.444 122.820 0.106 0.000 1.917 75 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 75 A C 1.924 179.561 177.584 0.089 0.000 1.182 75 A CA 1.963 54.054 52.037 0.090 0.000 0.633 75 A CB -1.084 17.963 19.000 0.079 0.000 0.819 75 A HN 1.000 nan 8.150 nan 0.000 0.448 76 D N -2.443 118.018 120.400 0.101 0.000 2.347 76 D HA 0.259 4.899 4.640 -0.000 0.000 0.213 76 D C 1.261 177.607 176.300 0.077 0.000 0.985 76 D CA 1.041 55.094 54.000 0.088 0.000 0.879 76 D CB -0.690 40.168 40.800 0.097 0.000 0.919 76 D HN 0.890 nan 8.370 nan 0.000 0.526 77 G N -0.170 108.683 108.800 0.088 0.000 2.162 77 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 77 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 77 G C 1.164 176.088 174.900 0.039 0.000 0.976 77 G CA 0.594 45.735 45.100 0.070 0.000 0.655 77 G HN 0.782 nan 8.290 nan 0.000 0.533 78 A N -1.324 121.506 122.820 0.016 0.000 2.016 78 A HA 0.554 4.874 4.320 -0.000 0.000 0.217 78 A C 0.775 178.133 177.584 -0.377 0.000 1.162 78 A CA 1.293 53.216 52.037 -0.191 0.000 0.662 78 A CB 0.045 18.892 19.000 -0.256 0.000 0.812 78 A HN 0.793 nan 8.150 nan 0.000 0.450 79 Y N -2.020 118.369 120.300 0.148 0.000 2.536 79 Y HA 0.647 5.197 4.550 -0.000 0.000 0.347 79 Y C 0.141 176.127 175.900 0.144 0.000 1.000 79 Y CA -0.754 57.457 58.100 0.186 0.000 1.051 79 Y CB 1.833 40.403 38.460 0.184 0.000 1.259 79 Y HN 0.146 nan 8.280 nan 0.000 0.468 80 A N 2.866 125.892 122.820 0.344 0.000 2.365 80 A HA 0.877 5.197 4.320 -0.000 0.000 0.318 80 A C -1.612 176.149 177.584 0.295 0.000 1.091 80 A CA -0.700 51.449 52.037 0.187 0.000 0.763 80 A CB 1.012 19.965 19.000 -0.078 0.000 1.248 80 A HN 0.751 nan 8.150 nan 0.000 0.442 81 L N 1.643 122.965 121.223 0.166 0.000 2.346 81 L HA 0.709 5.049 4.340 -0.000 0.000 0.274 81 L C 0.142 177.092 176.870 0.134 0.000 1.007 81 L CA -0.485 54.436 54.840 0.136 0.000 0.818 81 L CB 2.400 44.446 42.059 -0.022 0.000 1.284 81 L HN 0.872 nan 8.230 nan 0.000 0.424 82 S N 1.320 117.149 115.700 0.215 0.000 2.541 82 S HA 0.878 5.348 4.470 -0.000 0.000 0.280 82 S C -0.847 173.813 174.600 0.100 0.000 1.112 82 S CA -0.772 57.551 58.200 0.206 0.000 0.925 82 S CB 2.140 65.619 63.200 0.465 0.000 1.067 82 S HN 0.701 nan 8.310 nan 0.000 0.479 83 A N 1.495 124.303 122.820 -0.020 0.000 2.318 83 A HA 0.859 5.179 4.320 -0.000 0.000 0.324 83 A C -0.105 177.386 177.584 -0.155 0.000 1.170 83 A CA -0.697 51.292 52.037 -0.081 0.000 0.810 83 A CB 1.381 20.340 19.000 -0.067 0.000 1.198 83 A HN 1.074 nan 8.150 nan 0.000 0.484 84 S N 1.010 116.583 115.700 -0.212 0.000 2.568 84 S HA 0.523 4.993 4.470 -0.000 0.000 0.293 84 S C -0.202 174.414 174.600 0.028 0.000 1.089 84 S CA -0.499 57.567 58.200 -0.224 0.000 0.945 84 S CB 0.444 63.223 63.200 -0.701 0.000 1.077 84 S HN 0.620 nan 8.310 nan 0.000 0.485 85 W N 1.874 122.997 121.300 -0.296 0.000 2.538 85 W HA 0.034 4.694 4.660 0.000 0.000 0.254 85 W C 1.492 177.854 176.519 -0.261 0.000 1.249 85 W CA 0.682 57.783 57.345 -0.406 0.000 1.253 85 W CB -0.704 28.259 29.460 -0.828 0.000 1.130 85 W HN 0.835 nan 8.180 nan 0.000 0.618 86 D N -0.161 120.322 120.400 0.138 0.000 2.338 86 D HA -0.103 4.537 4.640 -0.000 0.000 0.239 86 D C 0.710 177.089 176.300 0.130 0.000 1.095 86 D CA 0.456 54.568 54.000 0.188 0.000 0.888 86 D CB -0.596 40.360 40.800 0.260 0.000 0.899 86 D HN 0.181 nan 8.370 nan 0.000 0.525 87 K N -1.741 118.703 120.400 0.073 0.000 3.512 87 K HA -0.149 4.171 4.320 -0.000 0.000 0.309 87 K C 0.031 176.717 176.600 0.144 0.000 1.350 87 K CA 1.268 57.604 56.287 0.082 0.000 0.960 87 K CB -2.490 30.064 32.500 0.090 0.000 1.290 87 K HN 0.565 nan 8.250 nan 0.000 0.454 88 T N -1.580 113.060 114.554 0.144 0.000 2.916 88 T HA 0.775 5.125 4.350 -0.000 0.000 0.292 88 T C -0.409 174.385 174.700 0.156 0.000 1.064 88 T CA -1.145 61.052 62.100 0.162 0.000 1.011 88 T CB 2.058 71.038 68.868 0.186 0.000 1.152 88 T HN 0.057 nan 8.240 nan 0.000 0.510 89 L N 0.477 121.749 121.223 0.082 0.000 2.319 89 L HA 0.762 5.102 4.340 -0.000 0.000 0.267 89 L C 0.335 177.303 176.870 0.164 0.000 1.011 89 L CA -0.945 53.913 54.840 0.030 0.000 0.818 89 L CB 1.892 43.712 42.059 -0.399 0.000 1.316 89 L HN 0.649 nan 8.230 nan 0.000 0.432 90 R N 1.025 121.619 120.500 0.158 0.000 2.686 90 R HA 0.673 5.013 4.340 -0.000 0.000 0.283 90 R C -1.633 174.644 176.300 -0.037 0.000 0.978 90 R CA -0.978 55.103 56.100 -0.030 0.000 0.897 90 R CB 2.376 32.389 30.300 -0.479 0.000 1.192 90 R HN 0.352 nan 8.270 nan 0.000 0.457 91 L N 2.800 124.030 121.223 0.010 0.000 2.272 91 L HA 0.510 4.850 4.340 -0.000 0.000 0.289 91 L C -1.621 175.281 176.870 0.054 0.000 1.032 91 L CA -0.254 54.673 54.840 0.146 0.000 0.810 91 L CB 0.618 42.859 42.059 0.304 0.000 1.205 91 L HN 0.506 nan 8.230 nan 0.000 0.422 92 W N 3.097 124.554 121.300 0.262 0.000 2.639 92 W HA 0.396 5.056 4.660 -0.000 0.000 0.347 92 W C -0.118 176.627 176.519 0.378 0.000 1.067 92 W CA -0.530 56.982 57.345 0.279 0.000 1.218 92 W CB 0.861 30.500 29.460 0.299 0.000 1.393 92 W HN 0.451 nan 8.180 nan 0.000 0.557 93 D N 1.479 122.153 120.400 0.456 0.000 2.339 93 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 93 D C 0.902 177.377 176.300 0.290 0.000 1.183 93 D CA 0.075 54.249 54.000 0.290 0.000 0.859 93 D CB 1.773 42.583 40.800 0.017 0.000 1.067 93 D HN 0.216 nan 8.370 nan 0.000 0.484 94 V N 4.556 124.606 119.914 0.226 0.000 2.407 94 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 94 V C 2.457 178.642 176.094 0.151 0.000 1.055 94 V CA 2.139 64.618 62.300 0.297 0.000 1.049 94 V CB -0.640 31.269 31.823 0.143 0.000 0.662 94 V HN 0.708 nan 8.190 nan 0.000 0.455 95 A N 0.534 123.375 122.820 0.034 0.000 1.930 95 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 95 A C 2.417 179.968 177.584 -0.054 0.000 1.175 95 A CA 2.448 54.478 52.037 -0.012 0.000 0.627 95 A CB -0.633 18.355 19.000 -0.020 0.000 0.815 95 A HN 0.637 nan 8.150 nan 0.000 0.443 96 T N -5.804 108.712 114.554 -0.063 0.000 2.990 96 T HA 0.419 4.769 4.350 -0.000 0.000 0.249 96 T C 1.464 176.042 174.700 -0.204 0.000 1.039 96 T CA 1.119 63.151 62.100 -0.114 0.000 1.036 96 T CB 0.295 69.105 68.868 -0.096 0.000 0.994 96 T HN 1.703 nan 8.240 nan 0.000 0.489 97 G N 2.319 110.972 108.800 -0.245 0.000 2.159 97 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 97 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 97 G C -0.147 174.761 174.900 0.014 0.000 0.977 97 G CA 0.288 45.061 45.100 -0.544 0.000 0.652 97 G HN 1.048 nan 8.290 nan 0.000 0.531 98 E N 0.348 120.572 120.200 0.040 0.000 2.319 98 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 98 E C -0.497 176.096 176.600 -0.012 0.000 1.050 98 E CA -0.394 56.005 56.400 -0.002 0.000 0.878 98 E CB 0.945 30.522 29.700 -0.204 0.000 1.066 98 E HN 0.024 nan 8.360 nan 0.000 0.406 99 T N 2.717 117.122 114.554 -0.248 0.000 2.749 99 T HA 0.089 4.439 4.350 -0.000 0.000 0.295 99 T C -0.044 174.483 174.700 -0.288 0.000 0.936 99 T CA -0.171 61.607 62.100 -0.538 0.000 1.060 99 T CB 0.114 68.500 68.868 -0.803 0.000 0.904 99 T HN 0.465 nan 8.240 nan 0.000 0.500 100 Y N 1.765 121.996 120.300 -0.117 0.000 2.397 100 Y HA 0.130 4.680 4.550 -0.000 0.000 0.292 100 Y C 1.448 177.284 175.900 -0.108 0.000 1.115 100 Y CA -0.157 57.915 58.100 -0.047 0.000 1.208 100 Y CB 0.696 39.187 38.460 0.052 0.000 1.046 100 Y HN 0.424 nan 8.280 nan 0.000 0.552 101 Q N -0.118 119.687 119.800 0.008 0.000 2.320 101 Q HA 0.364 4.704 4.340 -0.000 0.000 0.272 101 Q C -1.563 174.341 176.000 -0.159 0.000 1.023 101 Q CA -0.557 55.177 55.803 -0.115 0.000 0.855 101 Q CB 1.398 30.040 28.738 -0.160 0.000 1.367 101 Q HN 0.053 nan 8.270 nan 0.000 0.406 102 R N 2.251 122.605 120.500 -0.244 0.000 2.540 102 R HA 0.598 4.938 4.340 -0.000 0.000 0.287 102 R C -0.770 175.339 176.300 -0.319 0.000 0.980 102 R CA -0.465 55.542 56.100 -0.155 0.000 0.966 102 R CB 1.190 31.416 30.300 -0.123 0.000 1.106 102 R HN 0.525 nan 8.270 nan 0.000 0.480 103 F N 1.797 121.600 119.950 -0.244 0.000 2.366 103 F HA 0.313 4.840 4.527 -0.000 0.000 0.366 103 F C -0.330 175.299 175.800 -0.285 0.000 1.096 103 F CA -0.910 56.814 58.000 -0.461 0.000 1.060 103 F CB 1.489 39.866 39.000 -1.039 0.000 1.282 103 F HN 0.036 nan 8.300 nan 0.000 0.450 104 V N 2.106 122.095 119.914 0.126 0.000 2.483 104 V HA 0.825 4.945 4.120 -0.000 0.000 0.295 104 V C 0.485 176.820 176.094 0.401 0.000 1.035 104 V CA -0.159 62.268 62.300 0.212 0.000 0.896 104 V CB 1.243 33.136 31.823 0.117 0.000 0.986 104 V HN 0.956 nan 8.190 nan 0.000 0.447 105 G N 2.122 111.121 108.800 0.331 0.000 3.897 105 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.207 105 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.207 105 G C 0.127 175.067 174.900 0.065 0.000 0.872 105 G CA -0.486 44.723 45.100 0.182 0.000 0.872 105 G HN 0.584 nan 8.290 nan 0.000 0.442 106 H N 1.213 120.421 119.070 0.229 0.000 2.629 106 H HA 0.354 4.910 4.556 -0.000 0.000 0.357 106 H C 0.629 175.990 175.328 0.056 0.000 1.121 106 H CA 0.240 56.359 56.048 0.118 0.000 1.406 106 H CB 1.624 31.451 29.762 0.108 0.000 1.456 106 H HN -0.020 nan 8.280 nan 0.000 0.579 107 K N 0.801 121.301 120.400 0.166 0.000 2.404 107 K HA 0.128 4.448 4.320 -0.000 0.000 0.194 107 K C 0.560 177.175 176.600 0.025 0.000 1.023 107 K CA 0.086 56.419 56.287 0.076 0.000 1.094 107 K CB 0.742 33.274 32.500 0.053 0.000 0.841 107 K HN 0.333 nan 8.250 nan 0.000 0.523 108 S N 0.015 115.710 115.700 -0.007 0.000 2.790 108 S HA 0.211 4.681 4.470 -0.000 0.000 0.292 108 S C -1.687 172.784 174.600 -0.216 0.000 1.197 108 S CA -0.744 57.376 58.200 -0.133 0.000 0.851 108 S CB 0.801 63.874 63.200 -0.213 0.000 1.217 108 S HN 0.027 nan 8.310 nan 0.000 0.526 109 D N 1.681 121.850 120.400 -0.386 0.000 2.583 109 D HA 0.202 4.842 4.640 -0.000 0.000 0.232 109 D C 0.292 176.330 176.300 -0.436 0.000 1.128 109 D CA 0.484 54.197 54.000 -0.479 0.000 0.859 109 D CB 0.231 40.470 40.800 -0.935 0.000 1.169 109 D HN 0.287 nan 8.370 nan 0.000 0.481 113 V N 2.650 122.549 119.914 -0.025 0.000 3.012 113 V HA 0.888 5.008 4.120 -0.000 0.000 0.307 113 V C -1.878 174.209 176.094 -0.013 0.000 1.166 113 V CA -0.235 62.041 62.300 -0.041 0.000 0.974 113 V CB 2.217 33.986 31.823 -0.090 0.000 1.040 113 V HN 1.037 nan 8.190 nan 0.000 0.428 114 D N 2.705 123.101 120.400 -0.008 0.000 2.639 114 D HA 0.575 5.215 4.640 -0.000 0.000 0.271 114 D C -1.686 174.625 176.300 0.019 0.000 1.254 114 D CA -0.154 53.856 54.000 0.018 0.000 0.810 114 D CB 2.411 43.237 40.800 0.044 0.000 1.351 114 D HN 0.774 nan 8.370 nan 0.000 0.427 115 I N 1.095 121.687 120.570 0.037 0.000 2.802 115 I HA 0.310 4.480 4.170 -0.000 0.000 0.298 115 I C -0.860 175.294 176.117 0.060 0.000 1.176 115 I CA -0.783 60.544 61.300 0.046 0.000 1.025 115 I CB 1.721 39.743 38.000 0.037 0.000 1.243 115 I HN 0.390 nan 8.210 nan 0.000 0.424 116 D N 5.581 126.021 120.400 0.066 0.000 2.384 116 D HA -0.003 4.637 4.640 -0.000 0.000 0.244 116 D C 0.584 176.921 176.300 0.062 0.000 1.251 116 D CA -0.237 53.803 54.000 0.066 0.000 0.961 116 D CB 0.954 41.795 40.800 0.068 0.000 1.116 116 D HN 0.437 nan 8.370 nan 0.000 0.484 117 K N 0.437 120.872 120.400 0.058 0.000 2.057 117 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 117 K C 1.698 178.331 176.600 0.055 0.000 1.049 117 K CA 1.561 57.882 56.287 0.056 0.000 0.931 117 K CB -0.212 32.317 32.500 0.048 0.000 0.714 117 K HN 0.408 nan 8.250 nan 0.000 0.440 118 K N -0.156 120.275 120.400 0.051 0.000 2.515 118 K HA 0.100 4.420 4.320 -0.000 0.000 0.196 118 K C 0.320 176.949 176.600 0.049 0.000 1.038 118 K CA 0.595 56.910 56.287 0.047 0.000 0.967 118 K CB -0.058 32.467 32.500 0.042 0.000 0.780 118 K HN 0.301 nan 8.250 nan 0.000 0.483 119 A N 1.464 124.317 122.820 0.054 0.000 2.745 119 A HA -0.197 4.123 4.320 -0.000 0.000 0.296 119 A C 0.513 178.122 177.584 0.042 0.000 1.500 119 A CA 0.790 52.857 52.037 0.050 0.000 0.766 119 A CB -2.360 16.671 19.000 0.051 0.000 1.030 119 A HN 0.472 nan 8.150 nan 0.000 0.489 123 I N 1.750 122.402 120.570 0.138 0.000 2.646 123 I HA 0.924 5.094 4.170 -0.000 0.000 0.299 123 I C -0.426 175.773 176.117 0.136 0.000 1.036 123 I CA -0.322 61.078 61.300 0.167 0.000 1.074 123 I CB 2.235 40.284 38.000 0.082 0.000 1.258 123 I HN 0.582 nan 8.210 nan 0.000 0.430 124 S N 2.772 118.610 115.700 0.229 0.000 2.569 124 S HA 0.922 5.392 4.470 -0.000 0.000 0.280 124 S C -0.469 174.215 174.600 0.139 0.000 1.111 124 S CA -0.653 57.662 58.200 0.192 0.000 0.887 124 S CB 1.658 65.066 63.200 0.346 0.000 1.095 124 S HN 1.181 nan 8.310 nan 0.000 0.476 125 G N -0.075 108.716 108.800 -0.014 0.000 2.566 125 G HA2 0.647 4.607 3.960 -0.000 0.000 0.311 125 G HA3 0.647 4.607 3.960 -0.000 0.000 0.311 125 G C -1.014 173.718 174.900 -0.280 0.000 1.322 125 G CA -0.625 44.414 45.100 -0.101 0.000 0.969 125 G HN 0.927 nan 8.290 nan 0.000 0.490 126 S N 0.602 116.096 115.700 -0.343 0.000 2.632 126 S HA 0.448 4.918 4.470 -0.000 0.000 0.289 126 S C 0.929 175.342 174.600 -0.312 0.000 1.115 126 S CA -0.794 57.124 58.200 -0.471 0.000 0.889 126 S CB 1.695 64.413 63.200 -0.803 0.000 1.116 126 S HN 0.522 nan 8.310 nan 0.000 0.486 127 R N 0.469 120.698 120.500 -0.451 0.000 2.323 127 R HA 0.033 4.373 4.340 -0.000 0.000 0.198 127 R C 0.343 176.488 176.300 -0.257 0.000 0.988 127 R CA 1.015 56.754 56.100 -0.602 0.000 1.041 127 R CB -0.250 29.259 30.300 -1.319 0.000 0.926 127 R HN 0.682 nan 8.270 nan 0.000 0.476 128 D N 0.044 120.359 120.400 -0.141 0.000 2.336 128 D HA -0.055 4.585 4.640 -0.000 0.000 0.229 128 D C 0.117 176.461 176.300 0.074 0.000 1.061 128 D CA 0.035 54.036 54.000 0.003 0.000 0.875 128 D CB 0.056 40.883 40.800 0.044 0.000 0.904 128 D HN 0.001 nan 8.370 nan 0.000 0.525 129 K N -1.613 118.838 120.400 0.085 0.000 3.553 129 K HA -0.157 4.163 4.320 -0.000 0.000 0.303 129 K C 0.095 176.770 176.600 0.125 0.000 1.327 129 K CA 1.349 57.716 56.287 0.133 0.000 0.983 129 K CB -2.475 30.118 32.500 0.156 0.000 1.275 129 K HN 0.551 nan 8.250 nan 0.000 0.453 130 T N -1.131 113.478 114.554 0.091 0.000 2.940 130 T HA 0.758 5.108 4.350 -0.000 0.000 0.288 130 T C 0.095 174.839 174.700 0.073 0.000 1.033 130 T CA -0.991 61.159 62.100 0.083 0.000 1.033 130 T CB 1.929 70.848 68.868 0.084 0.000 1.079 130 T HN 0.175 nan 8.240 nan 0.000 0.496 131 I N 1.542 122.085 120.570 -0.044 0.000 2.404 131 I HA 0.459 4.629 4.170 -0.000 0.000 0.293 131 I C 0.173 176.222 176.117 -0.113 0.000 0.992 131 I CA -0.902 60.346 61.300 -0.087 0.000 1.149 131 I CB 1.838 39.633 38.000 -0.341 0.000 1.315 131 I HN 0.548 nan 8.210 nan 0.000 0.446 132 K N 4.672 125.085 120.400 0.022 0.000 2.203 132 K HA 0.729 5.049 4.320 -0.000 0.000 0.251 132 K C -1.309 175.174 176.600 -0.195 0.000 0.944 132 K CA -0.768 55.387 56.287 -0.220 0.000 0.829 132 K CB 2.742 35.005 32.500 -0.395 0.000 1.125 132 K HN 0.258 nan 8.250 nan 0.000 0.430 133 V N 2.511 122.136 119.914 -0.482 0.000 2.448 133 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 133 V C -1.234 174.664 176.094 -0.327 0.000 1.025 133 V CA -0.878 61.281 62.300 -0.235 0.000 0.859 133 V CB 0.597 32.280 31.823 -0.233 0.000 0.988 133 V HN 0.688 nan 8.190 nan 0.000 0.431 134 W N 1.611 122.933 121.300 0.037 0.000 2.902 134 W HA 0.708 5.368 4.660 -0.000 0.000 0.346 134 W C 0.489 177.089 176.519 0.135 0.000 1.139 134 W CA -0.870 56.548 57.345 0.120 0.000 1.139 134 W CB 1.121 30.765 29.460 0.308 0.000 1.439 134 W HN 0.611 nan 8.180 nan 0.000 0.558 135 T N -0.974 113.800 114.554 0.366 0.000 2.874 135 T HA 0.271 4.621 4.350 -0.000 0.000 0.281 135 T C 0.979 175.864 174.700 0.308 0.000 0.994 135 T CA -0.632 61.614 62.100 0.242 0.000 1.015 135 T CB 0.766 69.711 68.868 0.129 0.000 1.028 135 T HN 0.589 nan 8.240 nan 0.000 0.523 136 I N -1.635 119.051 120.570 0.194 0.000 3.083 136 I HA 0.063 4.233 4.170 -0.000 0.000 0.273 136 I C 1.113 177.293 176.117 0.105 0.000 1.297 136 I CA 0.669 62.083 61.300 0.190 0.000 1.452 136 I CB -0.442 37.588 38.000 0.051 0.000 1.078 136 I HN 0.321 nan 8.210 nan 0.000 0.484 137 K N 1.834 122.244 120.400 0.016 0.000 2.387 137 K HA 0.282 4.602 4.320 -0.000 0.000 0.198 137 K C 1.218 177.655 176.600 -0.272 0.000 1.022 137 K CA 0.573 56.795 56.287 -0.108 0.000 1.128 137 K CB 0.434 32.892 32.500 -0.071 0.000 0.853 137 K HN 0.566 nan 8.250 nan 0.000 0.523 138 G N 1.871 110.408 108.800 -0.439 0.000 2.141 138 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.242 138 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.242 138 G C -0.022 174.825 174.900 -0.089 0.000 0.982 138 G CA 0.181 44.756 45.100 -0.874 0.000 0.662 138 G HN 0.427 nan 8.290 nan 0.000 0.527 139 Q N 0.131 119.977 119.800 0.076 0.000 2.294 139 Q HA 0.474 4.814 4.340 -0.000 0.000 0.257 139 Q C 0.593 176.680 176.000 0.144 0.000 0.955 139 Q CA -0.562 55.301 55.803 0.101 0.000 0.936 139 Q CB 0.700 29.456 28.738 0.029 0.000 1.188 139 Q HN 0.503 nan 8.270 nan 0.000 0.420 140 C N 6.250 125.523 119.300 -0.045 0.000 2.627 140 C HA 0.203 4.663 4.460 -0.000 0.000 0.404 140 C C 1.397 176.177 174.990 -0.351 0.000 1.340 140 C CA -0.421 58.278 59.018 -0.532 0.000 1.758 140 C CB -1.182 26.027 27.740 -0.884 0.000 2.501 140 C HN 1.067 nan 8.230 nan 0.000 0.588 141 L N 4.742 125.757 121.223 -0.346 0.000 2.145 141 L HA 0.308 4.648 4.340 -0.000 0.000 0.201 141 L C 1.246 177.922 176.870 -0.323 0.000 1.075 141 L CA 0.922 55.633 54.840 -0.214 0.000 0.773 141 L CB -0.452 41.558 42.059 -0.081 0.000 0.936 141 L HN 0.810 nan 8.230 nan 0.000 0.451 142 A N -1.257 121.245 122.820 -0.531 0.000 2.612 142 A HA 0.665 4.985 4.320 -0.000 0.000 0.293 142 A C -0.998 176.227 177.584 -0.599 0.000 1.075 142 A CA -0.361 51.301 52.037 -0.625 0.000 0.680 142 A CB 1.422 19.722 19.000 -1.165 0.000 1.279 142 A HN -0.072 nan 8.150 nan 0.000 0.411 143 T N 1.825 116.105 114.554 -0.457 0.000 2.809 143 T HA 0.554 4.904 4.350 -0.000 0.000 0.284 143 T C -0.643 173.881 174.700 -0.293 0.000 0.992 143 T CA -0.167 61.719 62.100 -0.357 0.000 0.957 143 T CB 0.486 69.200 68.868 -0.257 0.000 0.942 143 T HN 0.450 nan 8.240 nan 0.000 0.439 144 L N 4.712 125.741 121.223 -0.323 0.000 2.257 144 L HA 0.542 4.883 4.340 -0.000 0.000 0.290 144 L C -0.373 176.377 176.870 -0.199 0.000 1.044 144 L CA -0.750 53.894 54.840 -0.326 0.000 0.810 144 L CB 0.541 42.180 42.059 -0.699 0.000 1.193 144 L HN 0.379 nan 8.230 nan 0.000 0.425 145 L N 2.350 123.590 121.223 0.029 0.000 2.334 145 L HA 0.832 5.172 4.340 -0.000 0.000 0.270 145 L C 0.924 178.008 176.870 0.356 0.000 1.018 145 L CA -0.201 54.724 54.840 0.142 0.000 0.811 145 L CB 1.601 43.716 42.059 0.094 0.000 1.271 145 L HN 0.794 nan 8.230 nan 0.000 0.443 146 G N -1.422 107.554 108.800 0.293 0.000 3.609 146 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 146 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 146 G C 0.081 175.024 174.900 0.072 0.000 0.951 146 G CA -0.555 44.665 45.100 0.199 0.000 0.867 146 G HN 0.510 nan 8.290 nan 0.000 0.478 147 H N 1.226 120.440 119.070 0.240 0.000 2.582 147 H HA 0.355 4.911 4.556 -0.000 0.000 0.345 147 H C 0.250 175.642 175.328 0.106 0.000 1.104 147 H CA 0.062 56.208 56.048 0.163 0.000 1.390 147 H CB 1.238 31.105 29.762 0.175 0.000 1.461 147 H HN 0.102 nan 8.280 nan 0.000 0.551 148 N N 1.642 120.466 118.700 0.208 0.000 2.235 148 N HA 0.008 4.748 4.740 -0.000 0.000 0.209 148 N C -0.283 175.279 175.510 0.086 0.000 1.122 148 N CA 0.329 53.449 53.050 0.116 0.000 0.845 148 N CB 0.905 39.433 38.487 0.068 0.000 1.004 148 N HN 0.623 nan 8.380 nan 0.000 0.499 149 D N -1.491 118.977 120.400 0.113 0.000 2.838 149 D HA 0.140 4.780 4.640 -0.000 0.000 0.334 149 D C -0.790 175.600 176.300 0.150 0.000 1.315 149 D CA -0.479 53.544 54.000 0.038 0.000 0.917 149 D CB 0.664 41.412 40.800 -0.088 0.000 1.435 149 D HN -0.253 nan 8.370 nan 0.000 0.517 150 W N 0.898 122.162 121.300 -0.059 0.000 2.314 150 W HA 0.204 4.864 4.660 0.000 0.000 0.339 150 W C 0.206 176.626 176.519 -0.165 0.000 1.293 150 W CA -0.532 56.747 57.345 -0.110 0.000 1.288 150 W CB -0.500 28.884 29.460 -0.128 0.000 1.186 150 W HN -0.073 nan 8.180 nan 0.000 0.566 151 V N 3.993 123.917 119.914 0.017 0.000 2.432 151 V HA 0.066 4.186 4.120 -0.000 0.000 0.271 151 V C 1.082 177.125 176.094 -0.084 0.000 1.046 151 V CA 0.094 62.305 62.300 -0.149 0.000 0.945 151 V CB 0.898 32.621 31.823 -0.167 0.000 0.992 151 V HN 0.684 nan 8.190 nan 0.000 0.471 152 S N 2.997 118.656 115.700 -0.067 0.000 2.475 152 S HA 0.189 4.659 4.470 -0.000 0.000 0.224 152 S C 0.469 175.057 174.600 -0.019 0.000 1.042 152 S CA -0.064 58.125 58.200 -0.019 0.000 0.935 152 S CB 0.270 63.480 63.200 0.018 0.000 0.801 152 S HN 0.724 nan 8.310 nan 0.000 0.509 153 Q N 0.226 120.012 119.800 -0.024 0.000 2.386 153 Q HA 0.542 4.882 4.340 -0.000 0.000 0.274 153 Q C -2.065 173.947 176.000 0.021 0.000 1.011 153 Q CA -0.724 55.082 55.803 0.005 0.000 0.867 153 Q CB 2.543 31.297 28.738 0.028 0.000 1.409 153 Q HN 0.376 nan 8.270 nan 0.000 0.395 154 V N 0.434 120.366 119.914 0.029 0.000 2.709 154 V HA 0.863 4.983 4.120 -0.000 0.000 0.308 154 V C -1.235 174.896 176.094 0.062 0.000 1.062 154 V CA -0.745 61.585 62.300 0.051 0.000 0.901 154 V CB 1.995 33.833 31.823 0.025 0.000 1.003 154 V HN 0.707 nan 8.190 nan 0.000 0.425 155 R N 2.599 123.150 120.500 0.084 0.000 2.698 155 R HA 0.662 5.002 4.340 -0.000 0.000 0.275 155 R C -1.398 174.959 176.300 0.095 0.000 1.001 155 R CA -0.770 55.382 56.100 0.087 0.000 0.896 155 R CB 2.356 32.714 30.300 0.096 0.000 1.218 155 R HN 0.703 nan 8.270 nan 0.000 0.462 156 V N 2.808 122.774 119.914 0.087 0.000 2.461 156 V HA 0.165 4.285 4.120 -0.000 0.000 0.275 156 V C 0.417 176.561 176.094 0.083 0.000 1.047 156 V CA -0.652 61.701 62.300 0.088 0.000 0.955 156 V CB 1.538 33.408 31.823 0.079 0.000 0.988 156 V HN 0.387 nan 8.190 nan 0.000 0.471 157 V N 8.456 128.420 119.914 0.083 0.000 2.470 157 V HA 0.180 4.300 4.120 -0.000 0.000 0.276 157 V C -1.908 174.216 176.094 0.050 0.000 1.040 157 V CA -1.358 60.981 62.300 0.065 0.000 1.008 157 V CB 0.727 32.589 31.823 0.065 0.000 0.990 157 V HN 0.789 nan 8.190 nan 0.000 0.477 158 P HA 0.209 nan 4.420 nan 0.000 0.269 158 P C -0.730 176.579 177.300 0.014 0.000 1.209 158 P CA -0.091 63.023 63.100 0.024 0.000 0.776 158 P CB 0.509 32.215 31.700 0.009 0.000 0.876 167 V N 2.833 122.778 119.914 0.051 0.000 2.427 167 V HA 0.683 4.803 4.120 -0.000 0.000 0.286 167 V C 0.294 176.445 176.094 0.096 0.000 1.034 167 V CA -0.170 62.174 62.300 0.073 0.000 0.893 167 V CB 1.737 33.611 31.823 0.084 0.000 0.982 167 V HN 0.899 nan 8.190 nan 0.000 0.452 168 T N 6.430 121.044 114.554 0.100 0.000 2.797 168 T HA 0.712 5.062 4.350 -0.000 0.000 0.279 168 T C -0.276 174.511 174.700 0.145 0.000 0.991 168 T CA -0.202 61.976 62.100 0.129 0.000 0.979 168 T CB 1.180 70.113 68.868 0.108 0.000 0.943 168 T HN 0.674 nan 8.240 nan 0.000 0.444 169 I N 1.360 122.051 120.570 0.202 0.000 2.846 169 I HA 0.818 4.988 4.170 -0.000 0.000 0.307 169 I C -0.881 175.411 176.117 0.291 0.000 1.053 169 I CA -1.619 59.801 61.300 0.201 0.000 1.050 169 I CB 1.987 40.080 38.000 0.155 0.000 1.239 169 I HN 0.686 nan 8.210 nan 0.000 0.439 170 I N 1.597 122.308 120.570 0.236 0.000 2.785 170 I HA 0.851 5.021 4.170 -0.000 0.000 0.302 170 I C -0.563 175.712 176.117 0.262 0.000 1.069 170 I CA -0.534 60.920 61.300 0.258 0.000 1.045 170 I CB 2.173 40.243 38.000 0.117 0.000 1.236 170 I HN 0.834 nan 8.210 nan 0.000 0.429 171 S N 3.087 118.995 115.700 0.346 0.000 2.564 171 S HA 0.963 5.433 4.470 -0.000 0.000 0.274 171 S C -0.809 173.954 174.600 0.272 0.000 1.124 171 S CA -0.614 57.780 58.200 0.323 0.000 0.869 171 S CB 1.934 65.444 63.200 0.516 0.000 1.105 171 S HN 1.320 nan 8.310 nan 0.000 0.472 172 A N 0.452 123.330 122.820 0.098 0.000 2.498 172 A HA 1.028 5.348 4.320 -0.000 0.000 0.298 172 A C -0.002 177.493 177.584 -0.148 0.000 1.075 172 A CA -0.416 51.642 52.037 0.036 0.000 0.714 172 A CB 1.436 20.442 19.000 0.010 0.000 1.299 172 A HN 1.816 nan 8.150 nan 0.000 0.407 173 G N -0.449 108.275 108.800 -0.126 0.000 2.727 173 G HA2 0.461 4.421 3.960 -0.000 0.000 0.289 173 G HA3 0.461 4.421 3.960 -0.000 0.000 0.289 173 G C -0.600 174.277 174.900 -0.038 0.000 1.418 173 G CA -0.548 44.460 45.100 -0.154 0.000 0.818 173 G HN 0.450 nan 8.290 nan 0.000 0.486 174 N N 0.569 119.251 118.700 -0.029 0.000 2.501 174 N HA 0.048 4.788 4.740 -0.000 0.000 0.195 174 N C 0.672 176.153 175.510 -0.049 0.000 1.213 174 N CA 0.558 53.569 53.050 -0.065 0.000 0.864 174 N CB 0.389 38.777 38.487 -0.164 0.000 0.999 174 N HN 0.616 nan 8.380 nan 0.000 0.454 175 D N -0.487 119.927 120.400 0.022 0.000 2.358 175 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 175 D C -0.003 176.343 176.300 0.076 0.000 1.123 175 D CA -0.309 53.723 54.000 0.054 0.000 0.833 175 D CB 0.210 41.079 40.800 0.116 0.000 0.946 175 D HN -0.247 nan 8.370 nan 0.000 0.505 179 K N 2.701 123.168 120.400 0.111 0.000 2.371 179 K HA 0.919 5.239 4.320 -0.000 0.000 0.251 179 K C -0.500 176.120 176.600 0.033 0.000 0.934 179 K CA -0.518 55.740 56.287 -0.048 0.000 0.798 179 K CB 2.738 35.042 32.500 -0.327 0.000 1.204 179 K HN 0.885 nan 8.250 nan 0.000 0.427 180 A N 2.235 125.017 122.820 -0.063 0.000 2.330 180 A HA 0.696 5.016 4.320 -0.000 0.000 0.327 180 A C -1.719 175.786 177.584 -0.131 0.000 1.155 180 A CA -0.611 51.466 52.037 0.068 0.000 0.803 180 A CB 0.319 19.432 19.000 0.188 0.000 1.208 180 A HN 0.649 nan 8.150 nan 0.000 0.477 181 W N 1.007 122.353 121.300 0.076 0.000 2.736 181 W HA 0.481 5.141 4.660 0.000 0.000 0.335 181 W C 0.020 176.583 176.519 0.074 0.000 1.059 181 W CA -0.792 56.595 57.345 0.070 0.000 1.226 181 W CB 1.285 30.796 29.460 0.085 0.000 1.416 181 W HN 0.645 nan 8.180 nan 0.000 0.505 182 N N 2.513 121.378 118.700 0.276 0.000 2.437 182 N HA 0.087 4.827 4.740 -0.000 0.000 0.243 182 N C 0.321 175.951 175.510 0.199 0.000 1.041 182 N CA -0.123 53.035 53.050 0.179 0.000 0.940 182 N CB 1.107 39.652 38.487 0.096 0.000 1.133 182 N HN 0.464 nan 8.380 nan 0.000 0.506 183 L N 4.114 125.447 121.223 0.183 0.000 2.275 183 L HA 0.055 4.395 4.340 -0.000 0.000 0.215 183 L C 1.471 178.324 176.870 -0.029 0.000 1.119 183 L CA 1.167 56.128 54.840 0.201 0.000 0.790 183 L CB -0.532 41.646 42.059 0.199 0.000 0.919 183 L HN 0.635 nan 8.230 nan 0.000 0.443 184 N N -1.345 117.318 118.700 -0.062 0.000 2.459 184 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 184 N C 1.022 176.377 175.510 -0.259 0.000 1.046 184 N CA 0.397 53.346 53.050 -0.169 0.000 0.904 184 N CB 0.156 38.596 38.487 -0.079 0.000 0.964 184 N HN 0.375 nan 8.380 nan 0.000 0.444 185 Q N -0.630 119.069 119.800 -0.168 0.000 2.211 185 Q HA 0.135 4.475 4.340 -0.000 0.000 0.242 185 Q C -0.336 175.669 176.000 0.009 0.000 0.825 185 Q CA -0.140 55.598 55.803 -0.109 0.000 0.951 185 Q CB 0.576 29.311 28.738 -0.004 0.000 1.130 185 Q HN 0.177 nan 8.270 nan 0.000 0.496 186 F N 1.123 121.121 119.950 0.080 0.000 3.090 186 F HA -0.274 4.253 4.527 -0.000 0.000 0.282 186 F C 0.115 176.022 175.800 0.178 0.000 0.923 186 F CA 0.862 58.920 58.000 0.096 0.000 0.977 186 F CB -2.293 36.730 39.000 0.038 0.000 0.954 186 F HN 0.112 nan 8.300 nan 0.000 0.695 187 Q N -0.762 119.259 119.800 0.368 0.000 2.456 187 Q HA 0.617 4.957 4.340 -0.000 0.000 0.283 187 Q C -0.044 176.092 176.000 0.227 0.000 1.084 187 Q CA -1.345 54.634 55.803 0.292 0.000 0.801 187 Q CB 3.062 31.883 28.738 0.138 0.000 1.434 187 Q HN 0.282 nan 8.270 nan 0.000 0.419 188 I N 0.969 121.524 120.570 -0.025 0.000 2.754 188 I HA -0.101 4.069 4.170 -0.000 0.000 0.285 188 I C 0.776 176.760 176.117 -0.223 0.000 1.166 188 I CA 0.965 62.018 61.300 -0.413 0.000 1.417 188 I CB 0.626 38.218 38.000 -0.680 0.000 1.382 188 I HN 0.862 nan 8.210 nan 0.000 0.588 189 E N 5.068 125.125 120.200 -0.238 0.000 2.421 189 E HA 0.369 4.719 4.350 -0.000 0.000 0.209 189 E C -0.474 176.010 176.600 -0.193 0.000 0.871 189 E CA 0.064 56.383 56.400 -0.136 0.000 1.064 189 E CB 0.682 30.359 29.700 -0.038 0.000 1.075 189 E HN 0.711 nan 8.360 nan 0.000 0.513 190 A N 0.891 123.541 122.820 -0.284 0.000 2.532 190 A HA 0.386 4.706 4.320 -0.000 0.000 0.296 190 A C -1.901 175.372 177.584 -0.518 0.000 1.058 190 A CA -0.798 50.986 52.037 -0.423 0.000 0.729 190 A CB 1.414 20.122 19.000 -0.487 0.000 1.285 190 A HN 0.066 nan 8.150 nan 0.000 0.396 191 D N 1.504 121.575 120.400 -0.548 0.000 2.280 191 D HA 0.535 5.175 4.640 -0.000 0.000 0.236 191 D C -1.224 174.729 176.300 -0.578 0.000 1.082 191 D CA 0.493 54.226 54.000 -0.444 0.000 0.834 191 D CB 0.697 41.315 40.800 -0.303 0.000 1.100 191 D HN 0.298 nan 8.370 nan 0.000 0.486 192 F N 3.160 122.882 119.950 -0.380 0.000 2.313 192 F HA 0.383 4.910 4.527 -0.000 0.000 0.369 192 F C 0.684 176.247 175.800 -0.395 0.000 1.109 192 F CA -0.650 56.987 58.000 -0.606 0.000 1.132 192 F CB 0.546 38.685 39.000 -1.435 0.000 1.291 192 F HN 0.064 nan 8.300 nan 0.000 0.496 193 I N 1.933 122.540 120.570 0.060 0.000 2.428 193 I HA 0.644 4.814 4.170 -0.000 0.000 0.296 193 I C 0.939 177.283 176.117 0.378 0.000 0.985 193 I CA -0.217 61.184 61.300 0.169 0.000 1.260 193 I CB 1.607 39.655 38.000 0.080 0.000 1.389 193 I HN 0.790 nan 8.210 nan 0.000 0.484 194 G N 3.018 112.004 108.800 0.310 0.000 3.655 194 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.219 194 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.219 194 G C 0.160 175.112 174.900 0.088 0.000 0.933 194 G CA -0.559 44.659 45.100 0.197 0.000 0.856 194 G HN 0.540 nan 8.290 nan 0.000 0.523 195 H N 1.129 120.340 119.070 0.235 0.000 2.732 195 H HA 0.307 4.863 4.556 -0.000 0.000 0.351 195 H C 0.411 175.788 175.328 0.081 0.000 1.090 195 H CA 0.342 56.477 56.048 0.144 0.000 1.431 195 H CB 1.259 31.119 29.762 0.162 0.000 1.447 195 H HN 0.110 nan 8.280 nan 0.000 0.582 196 N N 0.618 119.430 118.700 0.185 0.000 2.205 196 N HA -0.013 4.727 4.740 -0.000 0.000 0.201 196 N C -0.084 175.469 175.510 0.071 0.000 1.128 196 N CA 0.070 53.179 53.050 0.098 0.000 0.867 196 N CB 0.717 39.238 38.487 0.056 0.000 0.996 196 N HN 0.550 nan 8.380 nan 0.000 0.503 197 S N -1.012 114.737 115.700 0.082 0.000 2.685 197 S HA 0.433 4.903 4.470 -0.000 0.000 0.282 197 S C -0.655 173.936 174.600 -0.014 0.000 1.159 197 S CA -0.911 57.301 58.200 0.021 0.000 0.833 197 S CB 1.283 64.486 63.200 0.004 0.000 1.151 197 S HN -0.134 nan 8.310 nan 0.000 0.485 198 N N 0.754 119.428 118.700 -0.042 0.000 2.356 198 N HA 0.200 4.940 4.740 -0.000 0.000 0.252 198 N C -0.690 174.757 175.510 -0.104 0.000 1.241 198 N CA 0.459 53.472 53.050 -0.062 0.000 0.861 198 N CB -0.366 38.090 38.487 -0.052 0.000 1.075 198 N HN 0.602 nan 8.380 nan 0.000 0.461 199 I N 2.219 122.714 120.570 -0.124 0.000 2.312 199 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 199 I C 0.963 177.024 176.117 -0.092 0.000 1.008 199 I CA -0.557 60.629 61.300 -0.190 0.000 1.226 199 I CB 1.011 38.859 38.000 -0.253 0.000 1.371 199 I HN 0.331 nan 8.210 nan 0.000 0.468 200 N N 2.757 121.409 118.700 -0.081 0.000 2.402 200 N HA 0.026 4.766 4.740 -0.000 0.000 0.174 200 N C 0.510 176.027 175.510 0.012 0.000 1.027 200 N CA 0.608 53.653 53.050 -0.007 0.000 0.891 200 N CB 0.545 39.029 38.487 -0.004 0.000 1.016 200 N HN 0.626 nan 8.380 nan 0.000 0.439 201 T N 0.072 114.617 114.554 -0.015 0.000 2.932 201 T HA 0.620 4.970 4.350 -0.000 0.000 0.318 201 T C -1.828 172.884 174.700 0.019 0.000 1.265 201 T CA -0.799 61.311 62.100 0.016 0.000 1.036 201 T CB 0.830 69.715 68.868 0.028 0.000 1.209 201 T HN 0.080 nan 8.240 nan 0.000 0.484 202 L N 0.997 122.249 121.223 0.048 0.000 2.540 202 L HA 1.001 5.341 4.340 -0.000 0.000 0.256 202 L C -1.216 175.716 176.870 0.103 0.000 1.001 202 L CA -0.691 54.195 54.840 0.077 0.000 0.843 202 L CB 2.087 44.192 42.059 0.076 0.000 1.436 202 L HN 0.755 nan 8.230 nan 0.000 0.410 203 T N 0.460 115.104 114.554 0.150 0.000 2.840 203 T HA 0.779 5.129 4.350 -0.000 0.000 0.317 203 T C -1.444 173.440 174.700 0.307 0.000 1.401 203 T CA 0.154 62.380 62.100 0.211 0.000 1.028 203 T CB 1.737 70.742 68.868 0.229 0.000 1.317 203 T HN 1.197 nan 8.240 nan 0.000 0.495 204 A N 2.156 125.129 122.820 0.255 0.000 2.325 204 A HA 0.784 5.104 4.320 -0.000 0.000 0.333 204 A C 0.546 178.159 177.584 0.048 0.000 1.155 204 A CA -0.339 51.794 52.037 0.160 0.000 0.814 204 A CB 0.741 19.782 19.000 0.068 0.000 1.206 204 A HN 1.350 nan 8.150 nan 0.000 0.482 205 S N 1.788 117.258 115.700 -0.382 0.000 2.584 205 S HA 0.242 4.712 4.470 -0.000 0.000 0.270 205 S C -1.967 172.440 174.600 -0.322 0.000 1.346 205 S CA -0.516 57.187 58.200 -0.828 0.000 1.018 205 S CB 0.198 62.807 63.200 -0.985 0.000 0.899 205 S HN 0.445 nan 8.310 nan 0.000 0.542 206 P HA -0.094 nan 4.420 nan 0.000 0.219 206 P C 0.681 177.906 177.300 -0.126 0.000 1.146 206 P CA 1.324 64.347 63.100 -0.129 0.000 0.808 206 P CB -0.149 31.479 31.700 -0.121 0.000 0.779 207 D N -2.061 118.233 120.400 -0.177 0.000 2.339 207 D HA 0.093 4.733 4.640 -0.000 0.000 0.217 207 D C 1.350 177.591 176.300 -0.099 0.000 1.050 207 D CA 0.451 54.373 54.000 -0.131 0.000 0.856 207 D CB -1.084 39.625 40.800 -0.152 0.000 0.922 207 D HN 0.152 nan 8.370 nan 0.000 0.518 208 G N 0.361 109.097 108.800 -0.107 0.000 2.168 208 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 208 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 208 G C 1.020 175.891 174.900 -0.048 0.000 0.997 208 G CA 1.195 46.259 45.100 -0.059 0.000 0.708 208 G HN 0.614 nan 8.290 nan 0.000 0.520 209 T N -2.504 112.001 114.554 -0.081 0.000 3.040 209 T HA 0.567 4.917 4.350 -0.000 0.000 0.252 209 T C 0.990 175.673 174.700 -0.028 0.000 1.064 209 T CA 0.574 62.649 62.100 -0.043 0.000 1.110 209 T CB 0.403 69.243 68.868 -0.047 0.000 0.921 209 T HN 0.437 nan 8.240 nan 0.000 0.480 210 L N 1.129 122.303 121.223 -0.082 0.000 2.342 210 L HA 0.652 4.992 4.340 -0.000 0.000 0.271 210 L C -0.820 176.065 176.870 0.024 0.000 1.008 210 L CA -1.366 53.457 54.840 -0.028 0.000 0.818 210 L CB 2.333 44.365 42.059 -0.045 0.000 1.296 210 L HN 0.098 nan 8.230 nan 0.000 0.427 211 I N 1.781 122.414 120.570 0.106 0.000 2.433 211 I HA 0.583 4.753 4.170 -0.000 0.000 0.292 211 I C -0.107 176.205 176.117 0.326 0.000 1.001 211 I CA -0.473 60.931 61.300 0.173 0.000 1.119 211 I CB 2.033 40.010 38.000 -0.039 0.000 1.289 211 I HN 0.628 nan 8.210 nan 0.000 0.438 212 A N 4.801 127.829 122.820 0.346 0.000 2.318 212 A HA 0.842 5.162 4.320 -0.000 0.000 0.324 212 A C -0.365 177.336 177.584 0.194 0.000 1.170 212 A CA -0.413 51.751 52.037 0.212 0.000 0.810 212 A CB 1.120 20.138 19.000 0.030 0.000 1.198 212 A HN 0.722 nan 8.150 nan 0.000 0.484 213 S N 0.599 116.447 115.700 0.248 0.000 2.564 213 S HA 0.952 5.422 4.470 -0.000 0.000 0.274 213 S C -0.552 174.176 174.600 0.213 0.000 1.124 213 S CA -0.089 58.263 58.200 0.252 0.000 0.869 213 S CB 1.746 65.194 63.200 0.413 0.000 1.105 213 S HN 2.414 nan 8.310 nan 0.000 0.472 214 A N 0.479 123.309 122.820 0.018 0.000 2.586 214 A HA 1.003 5.323 4.320 -0.000 0.000 0.291 214 A C -0.054 177.440 177.584 -0.150 0.000 1.062 214 A CA -0.272 51.749 52.037 -0.028 0.000 0.666 214 A CB 0.749 19.735 19.000 -0.022 0.000 1.281 214 A HN 2.054 nan 8.150 nan 0.000 0.421 215 G N -0.193 108.514 108.800 -0.155 0.000 2.899 215 G HA2 0.442 4.402 3.960 -0.000 0.000 0.137 215 G HA3 0.442 4.402 3.960 -0.000 0.000 0.137 215 G C 0.595 175.376 174.900 -0.198 0.000 1.198 215 G CA 0.572 45.561 45.100 -0.186 0.000 1.126 215 G HN 0.934 nan 8.290 nan 0.000 0.589 216 K N 0.736 121.045 120.400 -0.152 0.000 2.044 216 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 216 K C 1.800 178.331 176.600 -0.114 0.000 1.049 216 K CA 2.647 58.851 56.287 -0.139 0.000 0.927 216 K CB -0.378 32.079 32.500 -0.073 0.000 0.713 216 K HN 0.471 nan 8.250 nan 0.000 0.443 217 D N -1.630 118.730 120.400 -0.066 0.000 2.336 217 D HA 0.082 4.722 4.640 -0.000 0.000 0.229 217 D C 1.031 177.303 176.300 -0.048 0.000 1.061 217 D CA 0.759 54.735 54.000 -0.041 0.000 0.875 217 D CB -0.270 40.527 40.800 -0.006 0.000 0.904 217 D HN 0.391 nan 8.370 nan 0.000 0.525 218 G N -0.138 108.614 108.800 -0.080 0.000 2.189 218 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 218 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 218 G C -0.055 174.818 174.900 -0.045 0.000 0.975 218 G CA 0.124 45.176 45.100 -0.079 0.000 0.644 218 G HN 0.395 nan 8.290 nan 0.000 0.537 219 E N 0.456 120.647 120.200 -0.015 0.000 2.180 219 E HA 0.475 4.825 4.350 -0.000 0.000 0.283 219 E C 1.095 177.703 176.600 0.013 0.000 1.061 219 E CA -0.061 56.332 56.400 -0.012 0.000 0.861 219 E CB 0.818 30.521 29.700 0.004 0.000 1.056 219 E HN 0.531 nan 8.360 nan 0.000 0.407 223 W N 2.407 123.579 121.300 -0.214 0.000 2.666 223 W HA 0.476 5.136 4.660 -0.000 0.000 0.334 223 W C 0.634 177.097 176.519 -0.094 0.000 1.051 223 W CA -0.454 56.792 57.345 -0.164 0.000 1.224 223 W CB 1.032 30.258 29.460 -0.390 0.000 1.405 223 W HN 0.416 nan 8.180 nan 0.000 0.513 224 N N 3.206 122.049 118.700 0.238 0.000 2.415 224 N HA 0.017 4.757 4.740 -0.000 0.000 0.246 224 N C 0.531 176.204 175.510 0.272 0.000 1.078 224 N CA -0.103 53.060 53.050 0.188 0.000 0.942 224 N CB 0.973 39.550 38.487 0.149 0.000 1.140 224 N HN 0.594 nan 8.380 nan 0.000 0.501 225 L N 5.626 126.962 121.223 0.188 0.000 1.970 225 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 225 L C 2.073 179.083 176.870 0.233 0.000 1.071 225 L CA 2.296 57.279 54.840 0.239 0.000 0.751 225 L CB -1.077 41.049 42.059 0.111 0.000 0.889 225 L HN 0.638 nan 8.230 nan 0.000 0.432 226 A N -0.613 122.288 122.820 0.135 0.000 1.908 226 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 226 A C 2.296 179.931 177.584 0.086 0.000 1.181 226 A CA 1.988 54.080 52.037 0.092 0.000 0.627 226 A CB -1.199 17.837 19.000 0.061 0.000 0.818 226 A HN 0.611 nan 8.150 nan 0.000 0.445 227 A N -1.331 121.553 122.820 0.107 0.000 2.208 227 A HA 0.237 4.557 4.320 -0.000 0.000 0.209 227 A C 0.966 178.602 177.584 0.087 0.000 1.161 227 A CA 0.758 52.846 52.037 0.085 0.000 0.782 227 A CB -0.446 18.606 19.000 0.088 0.000 0.816 227 A HN 0.513 nan 8.150 nan 0.000 0.477 228 K N -0.660 119.827 120.400 0.144 0.000 3.148 228 K HA -0.188 4.132 4.320 -0.000 0.000 0.267 228 K C -0.697 175.950 176.600 0.077 0.000 0.996 228 K CA 1.146 57.441 56.287 0.014 0.000 0.737 228 K CB -1.417 30.953 32.500 -0.216 0.000 1.308 228 K HN 0.588 nan 8.250 nan 0.000 0.470 229 K N -0.513 120.085 120.400 0.330 0.000 2.469 229 K HA 0.609 4.929 4.320 -0.000 0.000 0.254 229 K C -0.182 176.672 176.600 0.423 0.000 0.939 229 K CA -0.412 56.056 56.287 0.301 0.000 0.812 229 K CB 2.091 34.682 32.500 0.151 0.000 1.301 229 K HN 0.187 nan 8.250 nan 0.000 0.433 233 T N 2.819 117.371 114.554 -0.004 0.000 2.848 233 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 233 T C -0.943 173.737 174.700 -0.034 0.000 0.995 233 T CA -0.649 61.379 62.100 -0.120 0.000 0.970 233 T CB 1.194 69.957 68.868 -0.175 0.000 0.976 233 T HN 0.640 nan 8.240 nan 0.000 0.441 234 L N 2.300 123.447 121.223 -0.127 0.000 2.295 234 L HA 0.468 4.808 4.340 -0.000 0.000 0.285 234 L C 0.356 177.110 176.870 -0.194 0.000 1.035 234 L CA -0.744 53.959 54.840 -0.229 0.000 0.806 234 L CB 1.538 43.253 42.059 -0.574 0.000 1.214 234 L HN 0.576 nan 8.230 nan 0.000 0.426 235 S N 2.030 117.675 115.700 -0.092 0.000 2.416 235 S HA 0.306 4.776 4.470 -0.000 0.000 0.287 235 S C 0.810 175.444 174.600 0.056 0.000 1.139 235 S CA -0.417 57.767 58.200 -0.026 0.000 1.058 235 S CB 1.451 64.647 63.200 -0.005 0.000 0.967 235 S HN 0.755 nan 8.310 nan 0.000 0.495 236 A N 3.112 125.959 122.820 0.046 0.000 2.308 236 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 236 A C 1.389 178.995 177.584 0.037 0.000 1.216 236 A CA 0.006 52.113 52.037 0.117 0.000 0.864 236 A CB -0.097 18.959 19.000 0.093 0.000 0.902 236 A HN 0.744 nan 8.150 nan 0.000 0.499 237 Q N -0.486 119.319 119.800 0.009 0.000 2.645 237 Q HA -0.192 4.148 4.340 -0.000 0.000 0.188 237 Q C -0.525 175.457 176.000 -0.030 0.000 2.862 237 Q CA 2.228 58.026 55.803 -0.007 0.000 0.227 237 Q CB -1.775 26.963 28.738 0.000 0.000 0.207 237 Q HN 0.706 nan 8.270 nan 0.000 0.418 238 D N 1.291 121.664 120.400 -0.045 0.000 2.326 238 D HA 0.308 4.948 4.640 -0.000 0.000 0.251 238 D C 0.096 176.302 176.300 -0.156 0.000 1.023 238 D CA -0.490 53.463 54.000 -0.078 0.000 0.966 238 D CB 0.761 41.525 40.800 -0.059 0.000 1.156 238 D HN 0.203 nan 8.370 nan 0.000 0.494 239 E N 0.477 120.536 120.200 -0.234 0.000 2.558 239 E HA 0.057 4.407 4.350 -0.000 0.000 0.255 239 E C -0.939 175.259 176.600 -0.670 0.000 0.968 239 E CA -0.061 56.069 56.400 -0.449 0.000 0.939 239 E CB 0.561 29.929 29.700 -0.554 0.000 0.921 239 E HN 0.041 nan 8.360 nan 0.000 0.477 240 V N 6.528 126.107 119.914 -0.558 0.000 2.439 240 V HA 0.125 4.245 4.120 -0.000 0.000 0.282 240 V C 0.155 175.914 176.094 -0.558 0.000 1.039 240 V CA -0.195 61.838 62.300 -0.444 0.000 0.913 240 V CB 1.010 32.714 31.823 -0.199 0.000 0.983 240 V HN 0.707 nan 8.190 nan 0.000 0.460 241 F N 1.568 121.461 119.950 -0.094 0.000 2.653 241 F HA 0.330 4.857 4.527 -0.000 0.000 0.288 241 F C 1.191 176.964 175.800 -0.046 0.000 1.121 241 F CA 0.263 58.221 58.000 -0.069 0.000 1.384 241 F CB 0.554 39.495 39.000 -0.099 0.000 1.115 241 F HN 0.501 nan 8.300 nan 0.000 0.599 242 S N 0.134 115.890 115.700 0.094 0.000 2.533 242 S HA 0.719 5.189 4.470 -0.000 0.000 0.271 242 S C -1.410 173.199 174.600 0.015 0.000 1.143 242 S CA -0.534 57.697 58.200 0.052 0.000 0.891 242 S CB 0.872 64.098 63.200 0.044 0.000 1.105 242 S HN 0.027 nan 8.310 nan 0.000 0.468 243 L N 2.733 123.967 121.223 0.018 0.000 2.354 243 L HA 0.960 5.300 4.340 -0.000 0.000 0.269 243 L C -0.460 176.431 176.870 0.036 0.000 1.005 243 L CA -0.780 54.056 54.840 -0.008 0.000 0.819 243 L CB 2.098 44.128 42.059 -0.050 0.000 1.311 243 L HN 0.838 nan 8.230 nan 0.000 0.423 244 A N 2.452 125.306 122.820 0.056 0.000 2.509 244 A HA 0.602 4.922 4.320 -0.000 0.000 0.282 244 A C -1.246 176.548 177.584 0.349 0.000 1.054 244 A CA -0.450 51.732 52.037 0.242 0.000 0.820 244 A CB 0.493 19.687 19.000 0.323 0.000 1.333 244 A HN 0.410 nan 8.150 nan 0.000 0.409 245 F N 1.695 121.818 119.950 0.289 0.000 2.471 245 F HA 0.388 4.915 4.527 -0.000 0.000 0.353 245 F C 1.510 177.239 175.800 -0.118 0.000 1.113 245 F CA 0.900 58.992 58.000 0.152 0.000 1.262 245 F CB 1.358 40.403 39.000 0.076 0.000 1.146 245 F HN 0.573 nan 8.300 nan 0.000 0.578 246 S N 5.120 120.653 115.700 -0.280 0.000 2.549 246 S HA 0.131 4.601 4.470 -0.000 0.000 0.283 246 S C -1.147 173.211 174.600 -0.404 0.000 1.320 246 S CA -1.258 56.356 58.200 -0.977 0.000 1.058 246 S CB 0.770 63.345 63.200 -1.042 0.000 0.882 246 S HN 0.449 nan 8.310 nan 0.000 0.498 247 P HA -0.083 nan 4.420 nan 0.000 0.217 247 P C 0.486 177.677 177.300 -0.181 0.000 1.151 247 P CA 1.270 64.279 63.100 -0.152 0.000 0.828 247 P CB -0.074 31.588 31.700 -0.064 0.000 0.788 248 N N -1.642 116.908 118.700 -0.249 0.000 2.257 248 N HA 0.050 4.790 4.740 -0.000 0.000 0.200 248 N C 0.735 176.068 175.510 -0.295 0.000 1.163 248 N CA 0.025 52.939 53.050 -0.228 0.000 0.891 248 N CB 0.003 38.379 38.487 -0.185 0.000 1.067 248 N HN 0.030 nan 8.380 nan 0.000 0.497 249 R N -0.268 119.974 120.500 -0.429 0.000 2.668 249 R HA 0.232 4.572 4.340 -0.000 0.000 0.279 249 R C -0.954 175.199 176.300 -0.244 0.000 0.976 249 R CA -0.801 54.979 56.100 -0.534 0.000 0.978 249 R CB 1.078 30.645 30.300 -1.223 0.000 1.133 249 R HN -0.023 nan 8.270 nan 0.000 0.484 250 Y N 2.216 122.411 120.300 -0.175 0.000 2.889 250 Y HA 0.060 4.610 4.550 -0.000 0.000 0.367 250 Y C -1.094 175.053 175.900 0.410 0.000 1.197 250 Y CA -0.820 57.341 58.100 0.102 0.000 1.993 250 Y CB -0.152 38.382 38.460 0.123 0.000 2.112 250 Y HN 0.387 nan 8.280 nan 0.000 0.413 251 W N 2.922 124.352 121.300 0.216 0.000 2.702 251 W HA 0.491 5.151 4.660 -0.000 0.000 0.331 251 W C -1.428 175.201 176.519 0.182 0.000 1.049 251 W CA -1.765 55.652 57.345 0.121 0.000 1.230 251 W CB 1.456 30.903 29.460 -0.022 0.000 1.408 251 W HN -0.023 nan 8.180 nan 0.000 0.492 252 L N 3.341 124.775 121.223 0.350 0.000 2.343 252 L HA 0.836 5.176 4.340 -0.000 0.000 0.278 252 L C -0.354 176.650 176.870 0.224 0.000 0.996 252 L CA -0.622 54.295 54.840 0.128 0.000 0.831 252 L CB 0.931 42.916 42.059 -0.123 0.000 1.232 252 L HN 0.429 nan 8.230 nan 0.000 0.413 253 A N 4.450 127.437 122.820 0.280 0.000 2.301 253 A HA 0.892 5.212 4.320 -0.000 0.000 0.312 253 A C -0.391 177.234 177.584 0.069 0.000 1.182 253 A CA 0.015 52.157 52.037 0.176 0.000 0.826 253 A CB 0.854 19.947 19.000 0.155 0.000 1.134 253 A HN 1.150 nan 8.150 nan 0.000 0.501 254 A N 1.912 124.754 122.820 0.036 0.000 2.375 254 A HA 0.682 5.002 4.320 -0.000 0.000 0.291 254 A C 0.141 177.701 177.584 -0.040 0.000 1.160 254 A CA 0.084 52.133 52.037 0.020 0.000 0.747 254 A CB 0.549 19.611 19.000 0.103 0.000 1.170 254 A HN 2.068 nan 8.150 nan 0.000 0.458 255 A N 2.777 125.568 122.820 -0.049 0.000 2.396 255 A HA 0.594 4.914 4.320 -0.000 0.000 0.279 255 A C 0.777 178.364 177.584 0.005 0.000 1.165 255 A CA 0.666 52.670 52.037 -0.056 0.000 0.824 255 A CB -0.442 18.523 19.000 -0.060 0.000 1.100 255 A HN 1.634 nan 8.150 nan 0.000 0.516 256 T N -1.131 113.413 114.554 -0.016 0.000 2.910 256 T HA 0.625 4.975 4.350 -0.000 0.000 0.287 256 T C 1.030 175.737 174.700 0.011 0.000 1.050 256 T CA -0.003 62.076 62.100 -0.036 0.000 1.011 256 T CB 1.480 70.306 68.868 -0.070 0.000 1.195 256 T HN 1.111 nan 8.240 nan 0.000 0.540 257 A N 0.335 123.134 122.820 -0.035 0.000 2.121 257 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 257 A C 2.069 179.678 177.584 0.042 0.000 1.154 257 A CA 1.718 53.697 52.037 -0.096 0.000 0.679 257 A CB -1.196 17.770 19.000 -0.057 0.000 0.795 257 A HN 1.160 nan 8.150 nan 0.000 0.458 258 T N -5.301 109.274 114.554 0.034 0.000 3.040 258 T HA 0.518 4.868 4.350 -0.000 0.000 0.266 258 T C 0.589 175.328 174.700 0.065 0.000 1.005 258 T CA 0.756 62.892 62.100 0.060 0.000 0.906 258 T CB 0.469 69.355 68.868 0.031 0.000 1.082 258 T HN 1.530 nan 8.240 nan 0.000 0.531 259 G N 0.899 109.725 108.800 0.044 0.000 2.356 259 G HA2 0.354 4.314 3.960 -0.000 0.000 0.300 259 G HA3 0.354 4.314 3.960 -0.000 0.000 0.300 259 G C -1.860 172.996 174.900 -0.074 0.000 1.331 259 G CA -1.117 43.993 45.100 0.017 0.000 0.905 259 G HN 0.340 nan 8.290 nan 0.000 0.587 260 I N 1.326 121.798 120.570 -0.165 0.000 2.291 260 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 260 I C 0.430 176.375 176.117 -0.287 0.000 1.050 260 I CA -0.445 60.708 61.300 -0.246 0.000 1.245 260 I CB 1.210 38.972 38.000 -0.397 0.000 1.405 260 I HN 0.168 nan 8.210 nan 0.000 0.478 261 K N 5.636 125.892 120.400 -0.240 0.000 2.258 261 K HA 0.447 4.767 4.320 -0.000 0.000 0.284 261 K C -0.775 175.570 176.600 -0.425 0.000 1.051 261 K CA -0.488 55.561 56.287 -0.397 0.000 0.923 261 K CB 1.853 34.103 32.500 -0.417 0.000 1.046 261 K HN 0.322 nan 8.250 nan 0.000 0.474 262 V N 5.448 125.038 119.914 -0.540 0.000 2.334 262 V HA 0.290 4.410 4.120 -0.000 0.000 0.281 262 V C -0.633 175.102 176.094 -0.599 0.000 1.016 262 V CA -0.758 61.298 62.300 -0.406 0.000 0.832 262 V CB 0.028 31.638 31.823 -0.354 0.000 0.999 262 V HN 0.531 nan 8.190 nan 0.000 0.439 263 F N 2.379 122.168 119.950 -0.267 0.000 2.408 263 F HA 0.460 4.987 4.527 -0.000 0.000 0.344 263 F C 0.915 176.465 175.800 -0.416 0.000 1.112 263 F CA -0.086 57.724 58.000 -0.318 0.000 1.096 263 F CB 1.769 40.664 39.000 -0.176 0.000 1.129 263 F HN 0.422 nan 8.300 nan 0.000 0.486 264 S N 3.135 118.536 115.700 -0.498 0.000 2.475 264 S HA 0.357 4.827 4.470 -0.000 0.000 0.281 264 S C 0.577 175.025 174.600 -0.254 0.000 1.198 264 S CA -0.633 57.294 58.200 -0.456 0.000 1.063 264 S CB 0.438 63.016 63.200 -1.037 0.000 0.972 264 S HN 0.578 nan 8.310 nan 0.000 0.486 265 L N 3.944 125.033 121.223 -0.222 0.000 2.477 265 L HA 0.438 4.778 4.340 -0.000 0.000 0.220 265 L C 0.521 177.066 176.870 -0.541 0.000 1.106 265 L CA 0.653 55.265 54.840 -0.380 0.000 0.851 265 L CB -0.290 41.521 42.059 -0.413 0.000 0.994 265 L HN 0.770 nan 8.230 nan 0.000 0.462 266 D N -0.418 119.682 120.400 -0.501 0.000 2.319 266 D HA 0.325 4.965 4.640 -0.000 0.000 0.237 266 D C -2.610 173.715 176.300 0.041 0.000 1.353 266 D CA -1.198 52.660 54.000 -0.236 0.000 0.992 266 D CB 1.546 42.190 40.800 -0.260 0.000 1.368 266 D HN -0.159 nan 8.370 nan 0.000 0.564 267 P HA 0.213 nan 4.420 nan 0.000 0.274 267 P C -0.664 176.687 177.300 0.085 0.000 1.256 267 P CA -0.617 62.542 63.100 0.098 0.000 0.795 267 P CB 0.568 32.364 31.700 0.159 0.000 1.038 268 Q N 1.184 120.994 119.800 0.016 0.000 2.307 268 Q HA 0.251 4.591 4.340 -0.000 0.000 0.261 268 Q C -0.625 175.459 176.000 0.140 0.000 1.051 268 Q CA 0.439 56.224 55.803 -0.031 0.000 0.911 268 Q CB -0.177 28.485 28.738 -0.126 0.000 1.227 268 Q HN 0.576 nan 8.270 nan 0.000 0.418 269 Y N -0.790 119.490 120.300 -0.033 0.000 2.702 269 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 269 Y C -1.871 173.985 175.900 -0.073 0.000 1.203 269 Y CA -1.500 56.575 58.100 -0.041 0.000 1.072 269 Y CB 0.469 38.893 38.460 -0.060 0.000 1.327 269 Y HN 0.286 nan 8.280 nan 0.000 0.456 270 L N 2.941 124.150 121.223 -0.023 0.000 2.325 270 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 270 L C 0.388 177.118 176.870 -0.234 0.000 1.089 270 L CA -0.033 54.634 54.840 -0.289 0.000 0.836 270 L CB 0.994 42.886 42.059 -0.279 0.000 1.184 270 L HN 0.853 nan 8.230 nan 0.000 0.444 271 V N 3.214 122.823 119.914 -0.507 0.000 2.343 271 V HA -0.038 4.082 4.120 -0.000 0.000 0.247 271 V C 0.669 176.580 176.094 -0.304 0.000 1.051 271 V CA 1.570 63.611 62.300 -0.433 0.000 1.036 271 V CB -0.573 30.707 31.823 -0.905 0.000 0.654 271 V HN 0.906 nan 8.190 nan 0.000 0.451 272 D N -2.347 117.826 120.400 -0.377 0.000 2.742 272 D HA 0.192 4.832 4.640 -0.000 0.000 0.262 272 D C -2.045 174.048 176.300 -0.346 0.000 1.240 272 D CA -0.531 53.290 54.000 -0.299 0.000 0.752 272 D CB 1.750 42.389 40.800 -0.268 0.000 1.290 272 D HN 0.022 nan 8.370 nan 0.000 0.420 273 D N 1.938 122.178 120.400 -0.266 0.000 2.408 273 D HA 0.287 4.927 4.640 -0.000 0.000 0.261 273 D C -0.439 175.733 176.300 -0.213 0.000 1.190 273 D CA -0.301 53.551 54.000 -0.248 0.000 0.910 273 D CB 0.355 41.045 40.800 -0.183 0.000 1.097 273 D HN 0.294 nan 8.370 nan 0.000 0.522 274 L N 3.759 124.797 121.223 -0.309 0.000 2.456 274 L HA 0.303 4.643 4.340 -0.000 0.000 0.277 274 L C 0.760 177.557 176.870 -0.121 0.000 1.124 274 L CA 0.183 54.824 54.840 -0.333 0.000 0.880 274 L CB 0.264 41.802 42.059 -0.868 0.000 1.192 274 L HN 0.065 nan 8.230 nan 0.000 0.463 275 R N 3.913 124.414 120.500 0.002 0.000 2.487 275 R HA 0.378 4.718 4.340 -0.000 0.000 0.288 275 R C -2.425 173.903 176.300 0.048 0.000 1.394 275 R CA -1.723 54.421 56.100 0.074 0.000 1.155 275 R CB 1.076 31.406 30.300 0.050 0.000 1.156 275 R HN 0.370 nan 8.270 nan 0.000 0.553 276 P HA -0.017 nan 4.420 nan 0.000 0.272 276 P C -0.541 176.456 177.300 -0.506 0.000 1.223 276 P CA -0.392 62.536 63.100 -0.286 0.000 0.784 276 P CB 0.754 32.126 31.700 -0.548 0.000 0.923 277 E N 1.411 121.362 120.200 -0.414 0.000 2.289 277 E HA 0.241 4.591 4.350 -0.000 0.000 0.278 277 E C -1.146 175.166 176.600 -0.479 0.000 1.032 277 E CA -0.346 55.878 56.400 -0.295 0.000 0.854 277 E CB 0.197 29.815 29.700 -0.137 0.000 1.046 277 E HN 0.232 nan 8.360 nan 0.000 0.409 278 F N 2.148 122.088 119.950 -0.017 0.000 2.469 278 F HA 0.422 4.949 4.527 -0.000 0.000 0.332 278 F C 0.427 176.320 175.800 0.155 0.000 1.103 278 F CA -0.947 57.062 58.000 0.015 0.000 0.979 278 F CB 1.811 40.729 39.000 -0.137 0.000 1.137 278 F HN 0.501 nan 8.300 nan 0.000 0.463 279 A N 2.591 125.624 122.820 0.354 0.000 2.666 279 A HA 0.482 4.802 4.320 -0.000 0.000 0.301 279 A C 1.010 178.703 177.584 0.183 0.000 1.470 279 A CA 0.437 52.599 52.037 0.209 0.000 1.159 279 A CB -1.137 17.936 19.000 0.121 0.000 1.116 279 A HN 1.450 nan 8.150 nan 0.000 0.548 280 G N 0.953 109.837 108.800 0.141 0.000 2.132 280 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.228 280 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.228 280 G C -0.168 174.697 174.900 -0.058 0.000 1.000 280 G CA 0.192 45.300 45.100 0.014 0.000 0.693 280 G HN 0.647 nan 8.290 nan 0.000 0.515 281 Y N 0.720 121.050 120.300 0.050 0.000 2.335 281 Y HA 0.660 5.210 4.550 -0.000 0.000 0.323 281 Y C 1.118 177.031 175.900 0.021 0.000 1.224 281 Y CA 0.064 58.175 58.100 0.019 0.000 1.241 281 Y CB 1.511 39.961 38.460 -0.017 0.000 1.235 281 Y HN 0.192 nan 8.280 nan 0.000 0.492 282 S N 1.567 117.361 115.700 0.157 0.000 2.593 282 S HA 0.082 4.552 4.470 -0.000 0.000 0.269 282 S C 1.177 175.842 174.600 0.108 0.000 1.334 282 S CA -0.771 57.491 58.200 0.103 0.000 1.015 282 S CB 0.616 63.858 63.200 0.069 0.000 0.912 282 S HN 0.633 nan 8.310 nan 0.000 0.541 283 K N 2.600 123.048 120.400 0.081 0.000 2.103 283 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 283 K C 1.830 178.466 176.600 0.059 0.000 1.048 283 K CA 1.629 57.959 56.287 0.071 0.000 0.930 283 K CB -0.988 31.547 32.500 0.059 0.000 0.716 283 K HN 0.667 nan 8.250 nan 0.000 0.444 284 A N 0.131 122.985 122.820 0.057 0.000 2.275 284 A HA 0.289 4.609 4.320 -0.000 0.000 0.212 284 A C 1.765 179.379 177.584 0.050 0.000 1.201 284 A CA 0.873 52.942 52.037 0.054 0.000 0.843 284 A CB 0.054 19.086 19.000 0.053 0.000 0.873 284 A HN 0.211 nan 8.150 nan 0.000 0.492 285 A N -0.466 122.390 122.820 0.059 0.000 2.390 285 A HA 0.299 4.619 4.320 -0.000 0.000 0.232 285 A C 0.396 177.979 177.584 -0.002 0.000 1.233 285 A CA -0.291 51.790 52.037 0.073 0.000 0.907 285 A CB -0.047 19.035 19.000 0.137 0.000 0.967 285 A HN 0.469 nan 8.150 nan 0.000 0.512 286 E N 1.821 121.957 120.200 -0.107 0.000 2.415 286 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 286 E C -2.327 173.858 176.600 -0.691 0.000 0.995 286 E CA -1.552 54.585 56.400 -0.439 0.000 0.915 286 E CB 0.345 29.916 29.700 -0.216 0.000 0.951 286 E HN 0.242 nan 8.360 nan 0.000 0.449 287 P HA -0.039 nan 4.420 nan 0.000 0.267 287 P C -0.862 176.054 177.300 -0.640 0.000 1.200 287 P CA 0.532 63.009 63.100 -1.038 0.000 0.772 287 P CB 0.438 31.426 31.700 -1.186 0.000 0.855 288 H N -0.244 118.638 119.070 -0.314 0.000 2.894 288 H HA 0.764 5.320 4.556 -0.000 0.000 0.368 288 H C -1.003 174.029 175.328 -0.493 0.000 1.181 288 H CA -1.609 54.328 56.048 -0.184 0.000 1.146 288 H CB 1.308 30.958 29.762 -0.187 0.000 1.839 288 H HN 0.407 nan 8.280 nan 0.000 0.557 289 A N 1.114 123.603 122.820 -0.552 0.000 2.388 289 A HA 0.390 4.710 4.320 -0.000 0.000 0.257 289 A C 0.978 178.328 177.584 -0.392 0.000 1.095 289 A CA 0.020 51.513 52.037 -0.907 0.000 0.791 289 A CB 0.252 18.712 19.000 -0.900 0.000 1.029 289 A HN 0.784 nan 8.150 nan 0.000 0.489 290 V N -0.341 119.354 119.914 -0.365 0.000 3.398 290 V HA 0.412 4.532 4.120 -0.000 0.000 0.298 290 V C 0.207 176.251 176.094 -0.083 0.000 1.496 290 V CA 0.605 62.763 62.300 -0.236 0.000 1.044 290 V CB -1.100 30.499 31.823 -0.374 0.000 0.880 290 V HN 1.206 nan 8.190 nan 0.000 0.443 291 S N 0.126 115.758 115.700 -0.114 0.000 2.550 291 S HA 0.886 5.356 4.470 -0.000 0.000 0.270 291 S C -1.310 173.256 174.600 -0.056 0.000 1.145 291 S CA -0.702 57.469 58.200 -0.048 0.000 0.852 291 S CB 2.484 65.667 63.200 -0.029 0.000 1.119 291 S HN 0.269 nan 8.310 nan 0.000 0.465 292 L N 0.716 121.925 121.223 -0.023 0.000 2.424 292 L HA 0.950 5.290 4.340 -0.000 0.000 0.258 292 L C -0.808 176.067 176.870 0.009 0.000 0.995 292 L CA -0.937 53.876 54.840 -0.045 0.000 0.821 292 L CB 2.333 44.335 42.059 -0.096 0.000 1.383 292 L HN 1.119 nan 8.230 nan 0.000 0.410 293 A N 1.137 123.962 122.820 0.010 0.000 2.513 293 A HA 0.627 4.947 4.320 -0.000 0.000 0.296 293 A C -2.217 175.460 177.584 0.155 0.000 1.052 293 A CA -0.465 51.646 52.037 0.124 0.000 0.714 293 A CB 0.760 19.852 19.000 0.152 0.000 1.279 293 A HN 0.612 nan 8.150 nan 0.000 0.397 294 W N 1.996 123.437 121.300 0.235 0.000 2.313 294 W HA 0.512 5.172 4.660 -0.000 0.000 0.328 294 W C 1.145 177.831 176.519 0.279 0.000 1.197 294 W CA 0.415 57.895 57.345 0.225 0.000 1.235 294 W CB 1.506 31.064 29.460 0.164 0.000 1.158 294 W HN 0.864 nan 8.180 nan 0.000 0.578 295 S N 1.233 117.264 115.700 0.552 0.000 2.584 295 S HA 0.312 4.782 4.470 -0.000 0.000 0.270 295 S C 1.125 175.919 174.600 0.323 0.000 1.346 295 S CA -0.151 58.321 58.200 0.454 0.000 1.018 295 S CB 1.256 64.704 63.200 0.415 0.000 0.899 295 S HN 0.718 nan 8.310 nan 0.000 0.542 296 A N 1.411 124.374 122.820 0.238 0.000 1.986 296 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 296 A C 1.700 179.358 177.584 0.123 0.000 1.171 296 A CA 1.833 53.967 52.037 0.162 0.000 0.640 296 A CB -1.066 18.011 19.000 0.128 0.000 0.811 296 A HN 0.994 nan 8.150 nan 0.000 0.451 297 D N -2.506 117.974 120.400 0.133 0.000 2.340 297 D HA 0.264 4.904 4.640 -0.000 0.000 0.220 297 D C 1.220 177.561 176.300 0.068 0.000 1.039 297 D CA 0.924 54.975 54.000 0.085 0.000 0.866 297 D CB -0.678 40.173 40.800 0.085 0.000 0.913 297 D HN 0.786 nan 8.370 nan 0.000 0.523 298 G N 0.436 109.315 108.800 0.131 0.000 2.189 298 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 298 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 298 G C 1.092 176.113 174.900 0.201 0.000 0.975 298 G CA 0.481 45.646 45.100 0.108 0.000 0.644 298 G HN 0.362 nan 8.290 nan 0.000 0.537 299 Q N -0.047 119.869 119.800 0.193 0.000 2.424 299 Q HA 0.124 4.464 4.340 -0.000 0.000 0.204 299 Q C 0.681 176.810 176.000 0.215 0.000 0.933 299 Q CA 1.237 57.150 55.803 0.183 0.000 0.929 299 Q CB 0.446 29.261 28.738 0.127 0.000 1.037 299 Q HN 0.574 nan 8.270 nan 0.000 0.511 300 T N 1.012 115.700 114.554 0.223 0.000 2.886 300 T HA 0.500 4.850 4.350 -0.000 0.000 0.292 300 T C -1.118 173.505 174.700 -0.128 0.000 1.012 300 T CA -0.575 61.513 62.100 -0.019 0.000 0.982 300 T CB 1.758 70.521 68.868 -0.175 0.000 1.018 300 T HN -0.044 nan 8.240 nan 0.000 0.451 301 L N 3.595 124.583 121.223 -0.392 0.000 2.333 301 L HA 0.739 5.079 4.340 -0.000 0.000 0.280 301 L C -1.693 174.856 176.870 -0.536 0.000 1.004 301 L CA -0.603 53.874 54.840 -0.605 0.000 0.820 301 L CB 0.395 41.951 42.059 -0.838 0.000 1.247 301 L HN 0.540 nan 8.230 nan 0.000 0.416 302 F N 4.016 123.866 119.950 -0.166 0.000 2.425 302 F HA 0.825 5.352 4.527 -0.000 0.000 0.331 302 F C 0.438 176.203 175.800 -0.059 0.000 1.085 302 F CA -0.383 57.560 58.000 -0.095 0.000 1.028 302 F CB 1.914 40.852 39.000 -0.103 0.000 1.177 302 F HN 0.626 nan 8.300 nan 0.000 0.487 303 A N 1.363 124.318 122.820 0.225 0.000 2.408 303 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 303 A C -0.487 177.198 177.584 0.168 0.000 1.040 303 A CA -0.590 51.535 52.037 0.147 0.000 0.707 303 A CB 0.919 20.040 19.000 0.201 0.000 1.235 303 A HN 0.949 nan 8.150 nan 0.000 0.418 304 G N 0.690 109.497 108.800 0.011 0.000 2.348 304 G HA2 0.561 4.521 3.960 -0.000 0.000 0.312 304 G HA3 0.561 4.521 3.960 -0.000 0.000 0.312 304 G C -0.945 173.889 174.900 -0.110 0.000 1.126 304 G CA -0.193 44.928 45.100 0.036 0.000 0.865 304 G HN 0.548 nan 8.290 nan 0.000 0.474 305 Y N -0.332 119.926 120.300 -0.071 0.000 2.587 305 Y HA 0.335 4.885 4.550 -0.000 0.000 0.337 305 Y C 1.905 177.608 175.900 -0.328 0.000 1.065 305 Y CA -0.377 57.621 58.100 -0.170 0.000 1.126 305 Y CB 2.282 40.691 38.460 -0.085 0.000 1.279 305 Y HN 0.621 nan 8.280 nan 0.000 0.489 306 T N -3.617 110.641 114.554 -0.494 0.000 3.163 306 T HA -0.094 4.256 4.350 -0.000 0.000 0.260 306 T C 0.379 174.855 174.700 -0.374 0.000 1.156 306 T CA 0.897 62.385 62.100 -1.020 0.000 1.072 306 T CB -0.392 67.515 68.868 -1.602 0.000 0.937 306 T HN 0.666 nan 8.240 nan 0.000 0.528 307 D N 0.678 120.993 120.400 -0.142 0.000 2.463 307 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 307 D C 0.263 176.623 176.300 0.101 0.000 1.174 307 D CA -0.571 53.432 54.000 0.007 0.000 0.829 307 D CB -0.621 40.157 40.800 -0.037 0.000 0.993 307 D HN 0.221 nan 8.370 nan 0.000 0.497 308 N N -1.156 117.621 118.700 0.130 0.000 2.909 308 N HA -0.135 4.605 4.740 -0.000 0.000 0.242 308 N C -0.643 174.978 175.510 0.185 0.000 0.975 308 N CA 0.810 53.968 53.050 0.180 0.000 0.921 308 N CB -1.729 36.873 38.487 0.191 0.000 1.112 308 N HN 0.275 nan 8.380 nan 0.000 0.581 309 V N 1.315 121.314 119.914 0.141 0.000 2.667 309 V HA 0.546 4.666 4.120 -0.000 0.000 0.308 309 V C 0.789 176.948 176.094 0.109 0.000 1.048 309 V CA -0.757 61.601 62.300 0.096 0.000 0.928 309 V CB 2.272 34.105 31.823 0.016 0.000 1.004 309 V HN 0.073 nan 8.190 nan 0.000 0.444 310 I N 3.986 124.561 120.570 0.008 0.000 2.336 310 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 310 I C 0.220 176.285 176.117 -0.086 0.000 0.991 310 I CA -0.344 60.951 61.300 -0.008 0.000 1.227 310 I CB 1.130 39.018 38.000 -0.187 0.000 1.366 310 I HN 0.484 nan 8.210 nan 0.000 0.466 311 R N 4.744 125.244 120.500 -0.001 0.000 2.532 311 R HA 0.729 5.069 4.340 -0.000 0.000 0.295 311 R C -1.247 174.842 176.300 -0.353 0.000 0.968 311 R CA -0.824 55.101 56.100 -0.291 0.000 0.916 311 R CB 2.357 32.388 30.300 -0.449 0.000 1.124 311 R HN 0.331 nan 8.270 nan 0.000 0.463 312 V N 2.819 122.315 119.914 -0.697 0.000 2.444 312 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 312 V C -0.562 175.055 176.094 -0.796 0.000 1.022 312 V CA -0.874 60.979 62.300 -0.744 0.000 0.850 312 V CB 1.420 32.579 31.823 -1.106 0.000 0.992 312 V HN 0.626 nan 8.190 nan 0.000 0.426 313 W N 3.016 124.038 121.300 -0.463 0.000 2.606 313 W HA 0.605 5.265 4.660 0.000 0.000 0.332 313 W C -0.232 176.126 176.519 -0.268 0.000 1.052 313 W CA -0.644 56.520 57.345 -0.301 0.000 1.223 313 W CB 2.142 31.470 29.460 -0.220 0.000 1.383 313 W HN 0.484 nan 8.180 nan 0.000 0.524 314 Q N 1.207 121.049 119.800 0.070 0.000 2.365 314 Q HA 0.402 4.742 4.340 -0.000 0.000 0.269 314 Q C -0.076 176.027 176.000 0.171 0.000 1.061 314 Q CA -0.704 55.157 55.803 0.096 0.000 0.816 314 Q CB 3.106 31.895 28.738 0.085 0.000 1.325 314 Q HN 0.154 nan 8.270 nan 0.000 0.446 318 A N 2.189 125.043 122.820 0.058 0.000 1.872 318 A HA 0.244 4.564 4.320 -0.000 0.000 0.214 318 A C 1.065 178.670 177.584 0.035 0.000 1.187 318 A CA 0.968 53.032 52.037 0.046 0.000 0.614 318 A CB -0.640 18.386 19.000 0.043 0.000 0.826 318 A HN 0.785 nan 8.150 nan 0.000 0.442 319 N N 0.000 118.719 118.700 0.032 0.000 1.763 319 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 319 N CA 0.000 53.065 53.050 0.025 0.000 0.885 319 N CB 0.000 38.500 38.487 0.021 0.000 1.341 319 N HN 0.000 nan 8.380 nan 0.000 0.667