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 2r4t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQVLHVCSEM FPLLKTGGLA DVIGALPAAQ IADGVDARVL LPAFPDIRRG DATA SEQUENCE VTDAQVVSRR DTFAGHITLL FGHYNGVGIY LIDAPHLYDR PGSPYHDTNL DATA SEQUENCE FAYTDNVLRF ALLGWVGAEM ASGLDPFWRP DVVHAHDWHA GLAPAYLAAR DATA SEQUENCE GRPAKSVFTV HNLAYQGMFY AHHMNDIQLP WSFFNIHGLE FNGQISFLKA DATA SEQUENCE GLYYADHITA VSPTYAREIT EPQFAYGMEG LLQQRHREGR LSGVLNGVDE DATA SEQUENCE KIWSPETDLL LASRYTRDTL EDKAENKRQL QIAMGLKVDD KVPLFAVVSR DATA SEQUENCE LTSQKGLDLV LEALPGLLEQ GGQLALLGAG DPVLQEGFLA AAAEYPGQVG DATA SEQUENCE VQIGYHEAFS HRIMGGADVI LVPSRFEPCG LTQLYGLKYG TLPLVRRTGG DATA SEQUENCE LADTVSDCSL ENLADGVASG FVFEDSNAWS LLRAIRRAFV LWSRPSLWRF DATA SEQUENCE VQRQAMAMDF SWQVAAKSYR ELYYRLK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.239 55.300 -0.102 0.000 0.988 1 M CB 0.000 32.494 32.600 -0.177 0.000 1.302 2 Q N 3.333 123.048 119.800 -0.142 0.000 2.333 2 Q HA 0.846 5.186 4.340 -0.000 0.000 0.268 2 Q C -1.282 174.629 176.000 -0.149 0.000 1.007 2 Q CA -0.966 54.782 55.803 -0.092 0.000 0.810 2 Q CB 2.720 31.208 28.738 -0.417 0.000 1.264 2 Q HN 0.608 nan 8.270 nan 0.000 0.452 3 V N 3.290 123.235 119.914 0.053 0.000 2.540 3 V HA 0.426 4.546 4.120 -0.000 0.000 0.302 3 V C -1.028 175.158 176.094 0.153 0.000 1.035 3 V CA -0.861 61.372 62.300 -0.111 0.000 0.873 3 V CB 1.868 33.458 31.823 -0.388 0.000 0.992 3 V HN 0.574 nan 8.190 nan 0.000 0.428 4 L N 4.797 126.075 121.223 0.091 0.000 2.298 4 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 4 L C -0.181 176.707 176.870 0.031 0.000 1.013 4 L CA 0.032 54.985 54.840 0.188 0.000 0.824 4 L CB 0.881 43.101 42.059 0.269 0.000 1.221 4 L HN 0.612 nan 8.230 nan 0.000 0.418 5 H N 4.485 123.665 119.070 0.182 0.000 2.646 5 H HA 0.396 4.952 4.556 -0.000 0.000 0.325 5 H C -0.811 174.629 175.328 0.187 0.000 1.075 5 H CA -0.319 55.844 56.048 0.193 0.000 1.421 5 H CB 1.622 31.435 29.762 0.084 0.000 1.461 5 H HN 0.364 nan 8.280 nan 0.000 0.525 6 V N 4.414 124.548 119.914 0.367 0.000 2.378 6 V HA 0.298 4.418 4.120 -0.000 0.000 0.288 6 V C 0.295 176.575 176.094 0.310 0.000 1.016 6 V CA -0.497 61.971 62.300 0.280 0.000 0.840 6 V CB 0.741 32.718 31.823 0.257 0.000 0.994 6 V HN 1.032 nan 8.190 nan 0.000 0.431 7 C N 2.206 121.620 119.300 0.190 0.000 3.284 7 C HA 0.723 5.183 4.460 -0.000 0.000 0.348 7 C C 1.019 176.059 174.990 0.083 0.000 1.448 7 C CA 0.049 59.145 59.018 0.129 0.000 1.223 7 C CB 1.291 29.017 27.740 -0.024 0.000 1.588 7 C HN 0.792 nan 8.230 nan 0.000 0.451 8 S N -0.773 114.957 115.700 0.050 0.000 2.559 8 S HA 0.370 4.840 4.470 -0.000 0.000 0.226 8 S C -0.014 174.629 174.600 0.070 0.000 1.000 8 S CA 0.196 58.465 58.200 0.114 0.000 0.948 8 S CB -0.388 62.876 63.200 0.107 0.000 0.870 8 S HN 1.024 nan 8.310 nan 0.000 0.497 9 E N 0.247 120.429 120.200 -0.030 0.000 2.449 9 E HA 0.706 5.056 4.350 -0.000 0.000 0.278 9 E C -1.368 175.180 176.600 -0.088 0.000 0.992 9 E CA -1.186 55.180 56.400 -0.057 0.000 0.807 9 E CB 1.470 31.127 29.700 -0.072 0.000 1.350 9 E HN 0.205 nan 8.360 nan 0.000 0.462 10 M N 2.191 121.742 119.600 -0.082 0.000 2.296 10 M HA 0.303 4.783 4.480 -0.000 0.000 0.268 10 M C -2.032 174.243 176.300 -0.042 0.000 1.048 10 M CA -0.674 54.580 55.300 -0.078 0.000 0.966 10 M CB 1.563 34.082 32.600 -0.134 0.000 1.912 10 M HN 0.725 nan 8.290 nan 0.000 0.484 11 F N 8.017 127.920 119.950 -0.077 0.000 2.471 11 F HA 0.471 4.998 4.527 -0.000 0.000 0.353 11 F C -1.637 174.136 175.800 -0.047 0.000 1.113 11 F CA -0.778 57.206 58.000 -0.027 0.000 1.262 11 F CB 0.999 40.037 39.000 0.064 0.000 1.146 11 F HN 0.423 nan 8.300 nan 0.000 0.578 12 P HA 0.068 nan 4.420 nan 0.000 0.261 12 P C 1.142 178.086 177.300 -0.593 0.000 1.352 12 P CA 0.534 62.820 63.100 -1.355 0.000 0.891 12 P CB 0.182 31.095 31.700 -1.311 0.000 1.383 13 L N -1.052 119.887 121.223 -0.473 0.000 2.044 13 L HA 0.066 4.406 4.340 -0.000 0.000 0.205 13 L C 0.939 177.667 176.870 -0.237 0.000 1.075 13 L CA 1.071 55.686 54.840 -0.374 0.000 0.747 13 L CB -0.205 41.590 42.059 -0.439 0.000 0.903 13 L HN 0.055 nan 8.230 nan 0.000 0.435 14 L N -0.222 120.889 121.223 -0.187 0.000 2.543 14 L HA 0.433 4.773 4.340 -0.000 0.000 0.265 14 L C -0.937 175.873 176.870 -0.099 0.000 0.945 14 L CA -0.297 54.451 54.840 -0.153 0.000 0.869 14 L CB 1.656 43.622 42.059 -0.155 0.000 1.294 14 L HN -0.067 nan 8.230 nan 0.000 0.405 15 K N 1.903 122.240 120.400 -0.105 0.000 2.553 15 K HA 0.560 4.879 4.320 -0.000 0.000 0.250 15 K C -0.346 176.160 176.600 -0.157 0.000 0.953 15 K CA 0.306 56.575 56.287 -0.030 0.000 0.800 15 K CB 1.855 34.461 32.500 0.178 0.000 1.243 15 K HN 0.726 nan 8.250 nan 0.000 0.435 16 T N -0.583 113.925 114.554 -0.076 0.000 3.004 16 T HA 0.421 4.771 4.350 -0.000 0.000 0.266 16 T C 0.608 175.335 174.700 0.045 0.000 0.986 16 T CA 0.355 62.409 62.100 -0.076 0.000 0.902 16 T CB 0.690 69.569 68.868 0.017 0.000 1.118 16 T HN 0.629 nan 8.240 nan 0.000 0.522 17 G N -0.230 108.612 108.800 0.069 0.000 2.494 17 G HA2 0.469 4.429 3.960 -0.000 0.000 0.308 17 G HA3 0.469 4.429 3.960 -0.000 0.000 0.308 17 G C 0.675 175.617 174.900 0.069 0.000 1.263 17 G CA -0.038 45.111 45.100 0.081 0.000 0.840 17 G HN 0.182 nan 8.290 nan 0.000 0.479 18 G N -0.301 108.520 108.800 0.035 0.000 2.448 18 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.219 18 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.219 18 G C 1.734 176.661 174.900 0.046 0.000 1.127 18 G CA 1.126 46.248 45.100 0.036 0.000 0.766 18 G HN 0.542 nan 8.290 nan 0.000 0.552 19 L N 0.572 121.784 121.223 -0.019 0.000 2.043 19 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 19 L C 3.159 179.963 176.870 -0.111 0.000 1.075 19 L CA 1.966 56.711 54.840 -0.158 0.000 0.752 19 L CB -0.467 41.431 42.059 -0.270 0.000 0.891 19 L HN 0.346 nan 8.230 nan 0.000 0.432 20 A N -0.375 122.429 122.820 -0.026 0.000 1.902 20 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 20 A C 1.792 179.432 177.584 0.093 0.000 1.181 20 A CA 1.936 53.992 52.037 0.030 0.000 0.623 20 A CB -0.602 18.465 19.000 0.111 0.000 0.818 20 A HN 0.508 nan 8.150 nan 0.000 0.443 21 D N -0.196 120.272 120.400 0.114 0.000 2.123 21 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 21 D C 2.077 178.429 176.300 0.087 0.000 0.992 21 D CA 1.461 55.534 54.000 0.122 0.000 0.833 21 D CB -0.553 40.349 40.800 0.169 0.000 0.954 21 D HN 0.226 nan 8.370 nan 0.000 0.455 22 V N 1.468 121.419 119.914 0.062 0.000 2.261 22 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 22 V C 2.369 178.222 176.094 -0.402 0.000 1.047 22 V CA 1.079 63.321 62.300 -0.096 0.000 1.015 22 V CB -0.277 31.605 31.823 0.098 0.000 0.642 22 V HN 0.183 nan 8.190 nan 0.000 0.446 23 I N 1.138 121.518 120.570 -0.316 0.000 2.493 23 I HA -0.083 4.087 4.170 -0.000 0.000 0.254 23 I C 2.501 178.459 176.117 -0.265 0.000 1.160 23 I CA 1.717 62.784 61.300 -0.387 0.000 1.445 23 I CB -1.866 35.930 38.000 -0.341 0.000 1.086 23 I HN 0.399 nan 8.210 nan 0.000 0.433 24 G N 0.035 108.761 108.800 -0.123 0.000 2.534 24 G HA2 0.086 4.045 3.960 -0.000 0.000 0.217 24 G HA3 0.086 4.045 3.960 -0.000 0.000 0.217 24 G C 1.548 176.415 174.900 -0.054 0.000 1.128 24 G CA 0.868 45.973 45.100 0.009 0.000 0.784 24 G HN 0.491 nan 8.290 nan 0.000 0.542 25 A N -0.612 122.047 122.820 -0.269 0.000 2.009 25 A HA 0.440 4.760 4.320 -0.000 0.000 0.197 25 A C 1.962 179.162 177.584 -0.641 0.000 1.471 25 A CA 0.094 51.898 52.037 -0.389 0.000 0.973 25 A CB -0.203 18.560 19.000 -0.396 0.000 1.020 25 A HN 0.192 nan 8.150 nan 0.000 0.476 26 L N 0.503 121.145 121.223 -0.969 0.000 2.012 26 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 26 L C -0.810 175.888 176.870 -0.287 0.000 1.073 26 L CA 2.079 56.457 54.840 -0.770 0.000 0.748 26 L CB -0.943 40.623 42.059 -0.820 0.000 0.891 26 L HN 0.192 nan 8.230 nan 0.000 0.431 27 P HA -0.184 nan 4.420 nan 0.000 0.216 27 P C 1.399 178.714 177.300 0.024 0.000 1.153 27 P CA 1.971 65.040 63.100 -0.053 0.000 0.858 27 P CB -0.090 31.573 31.700 -0.063 0.000 0.789 28 A N -0.306 122.508 122.820 -0.011 0.000 1.972 28 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 28 A C 2.292 179.922 177.584 0.076 0.000 1.169 28 A CA 1.985 54.043 52.037 0.036 0.000 0.635 28 A CB -1.527 17.488 19.000 0.024 0.000 0.810 28 A HN 0.204 nan 8.150 nan 0.000 0.446 29 A N -0.717 122.153 122.820 0.083 0.000 1.929 29 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 29 A C 2.104 179.798 177.584 0.184 0.000 1.176 29 A CA 1.464 53.598 52.037 0.162 0.000 0.628 29 A CB -0.493 18.660 19.000 0.255 0.000 0.816 29 A HN 0.634 nan 8.150 nan 0.000 0.444 30 Q N -0.505 119.409 119.800 0.190 0.000 2.084 30 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 30 Q C 1.992 178.118 176.000 0.210 0.000 0.978 30 Q CA 1.510 57.458 55.803 0.241 0.000 0.844 30 Q CB -0.334 28.585 28.738 0.301 0.000 0.898 30 Q HN 0.736 nan 8.270 nan 0.000 0.426 31 I N 0.655 121.327 120.570 0.171 0.000 2.226 31 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 31 I C 2.396 178.593 176.117 0.132 0.000 1.100 31 I CA 0.988 62.378 61.300 0.150 0.000 1.374 31 I CB -0.359 37.713 38.000 0.120 0.000 1.057 31 I HN 0.154 nan 8.210 nan 0.000 0.413 32 A N 0.006 122.899 122.820 0.123 0.000 1.972 32 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 32 A C 1.888 179.542 177.584 0.117 0.000 1.169 32 A CA 2.230 54.332 52.037 0.108 0.000 0.635 32 A CB -0.579 18.484 19.000 0.104 0.000 0.810 32 A HN 0.482 nan 8.150 nan 0.000 0.446 33 D N -2.211 118.275 120.400 0.143 0.000 2.328 33 D HA 0.309 4.949 4.640 -0.000 0.000 0.221 33 D C 0.980 177.375 176.300 0.160 0.000 1.072 33 D CA 0.965 55.052 54.000 0.146 0.000 0.850 33 D CB -0.150 40.750 40.800 0.168 0.000 0.922 33 D HN 0.532 nan 8.370 nan 0.000 0.516 34 G N -0.304 108.595 108.800 0.164 0.000 2.134 34 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.209 34 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.209 34 G C -0.094 174.939 174.900 0.222 0.000 0.993 34 G CA 0.082 45.285 45.100 0.172 0.000 0.669 34 G HN 0.277 nan 8.290 nan 0.000 0.519 35 V N 0.755 120.814 119.914 0.242 0.000 2.495 35 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 35 V C -0.242 175.994 176.094 0.236 0.000 1.031 35 V CA -0.659 61.799 62.300 0.263 0.000 0.871 35 V CB 1.915 33.946 31.823 0.347 0.000 0.988 35 V HN 0.301 nan 8.190 nan 0.000 0.432 36 D N 4.375 124.915 120.400 0.234 0.000 2.435 36 D HA 0.430 5.070 4.640 -0.000 0.000 0.230 36 D C 0.112 176.610 176.300 0.330 0.000 1.215 36 D CA 0.084 54.251 54.000 0.277 0.000 0.947 36 D CB 0.832 41.836 40.800 0.341 0.000 1.048 36 D HN 0.711 nan 8.370 nan 0.000 0.512 37 A N 4.407 127.383 122.820 0.260 0.000 2.292 37 A HA 0.730 5.050 4.320 -0.000 0.000 0.319 37 A C 0.170 177.866 177.584 0.187 0.000 1.206 37 A CA -0.653 51.542 52.037 0.263 0.000 0.835 37 A CB 0.759 19.940 19.000 0.301 0.000 1.164 37 A HN 0.567 nan 8.150 nan 0.000 0.505 38 R N 0.544 121.148 120.500 0.172 0.000 2.892 38 R HA 0.731 5.071 4.340 -0.000 0.000 0.265 38 R C -1.328 175.080 176.300 0.179 0.000 1.025 38 R CA -0.572 55.554 56.100 0.043 0.000 0.982 38 R CB 2.405 32.531 30.300 -0.290 0.000 1.185 38 R HN 0.491 nan 8.270 nan 0.000 0.484 39 V N 2.290 122.282 119.914 0.130 0.000 2.604 39 V HA 0.435 4.554 4.120 -0.000 0.000 0.305 39 V C -0.772 175.430 176.094 0.180 0.000 1.043 39 V CA -0.848 61.539 62.300 0.146 0.000 0.888 39 V CB 1.892 33.731 31.823 0.027 0.000 0.995 39 V HN 0.498 nan 8.190 nan 0.000 0.429 40 L N 5.845 127.170 121.223 0.171 0.000 2.305 40 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 40 L C -1.403 175.494 176.870 0.045 0.000 1.013 40 L CA -0.379 54.544 54.840 0.139 0.000 0.819 40 L CB 1.410 43.537 42.059 0.113 0.000 1.227 40 L HN 0.595 nan 8.230 nan 0.000 0.417 41 L N 5.778 126.982 121.223 -0.032 0.000 2.371 41 L HA 0.605 4.945 4.340 -0.000 0.000 0.262 41 L C -2.369 174.305 176.870 -0.327 0.000 1.006 41 L CA -1.950 52.801 54.840 -0.147 0.000 0.818 41 L CB 2.503 44.471 42.059 -0.152 0.000 1.354 41 L HN 0.446 nan 8.230 nan 0.000 0.415 42 P HA 0.068 nan 4.420 nan 0.000 0.271 42 P C -0.692 175.984 177.300 -1.040 0.000 1.218 42 P CA -0.331 62.020 63.100 -1.250 0.000 0.780 42 P CB 0.691 30.959 31.700 -2.387 0.000 0.901 43 A N 3.903 126.301 122.820 -0.703 0.000 3.077 43 A HA 0.208 4.528 4.320 -0.000 0.000 0.255 43 A C 0.040 177.438 177.584 -0.310 0.000 1.728 43 A CA -0.363 51.453 52.037 -0.367 0.000 1.383 43 A CB -1.800 17.111 19.000 -0.149 0.000 1.097 43 A HN 0.434 nan 8.150 nan 0.000 0.634 44 F N 0.156 119.972 119.950 -0.224 0.000 2.595 44 F HA 0.107 4.634 4.527 -0.000 0.000 0.359 44 F C -0.918 174.804 175.800 -0.128 0.000 1.147 44 F CA -1.474 56.425 58.000 -0.168 0.000 1.341 44 F CB 0.266 39.134 39.000 -0.219 0.000 1.104 44 F HN 0.295 nan 8.300 nan 0.000 0.603 45 P HA -0.200 nan 4.420 nan 0.000 0.215 45 P C 0.998 178.288 177.300 -0.016 0.000 1.157 45 P CA 1.560 64.672 63.100 0.019 0.000 0.874 45 P CB 0.142 31.850 31.700 0.013 0.000 0.790 46 D N -1.066 119.317 120.400 -0.028 0.000 2.178 46 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 46 D C 2.000 178.239 176.300 -0.102 0.000 0.980 46 D CA 0.928 54.884 54.000 -0.073 0.000 0.842 46 D CB -0.436 40.304 40.800 -0.100 0.000 0.948 46 D HN 0.228 nan 8.370 nan 0.000 0.472 47 I N 0.371 120.892 120.570 -0.081 0.000 2.233 47 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 47 I C 2.502 178.538 176.117 -0.134 0.000 1.093 47 I CA 0.504 61.723 61.300 -0.136 0.000 1.380 47 I CB -0.107 37.825 38.000 -0.113 0.000 1.067 47 I HN -0.110 nan 8.210 nan 0.000 0.413 48 R N 2.240 122.683 120.500 -0.096 0.000 2.091 48 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 48 R C 2.336 178.594 176.300 -0.070 0.000 1.136 48 R CA 1.954 58.005 56.100 -0.082 0.000 0.959 48 R CB -0.516 29.749 30.300 -0.058 0.000 0.856 48 R HN 0.442 nan 8.270 nan 0.000 0.437 49 R N -1.337 119.125 120.500 -0.063 0.000 2.189 49 R HA 0.099 4.439 4.340 -0.000 0.000 0.218 49 R C 2.090 178.360 176.300 -0.050 0.000 1.074 49 R CA 1.401 57.471 56.100 -0.050 0.000 0.991 49 R CB -0.744 29.530 30.300 -0.042 0.000 0.883 49 R HN 0.290 nan 8.270 nan 0.000 0.457 50 G N 1.029 109.777 108.800 -0.087 0.000 2.464 50 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.217 50 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.217 50 G C 0.374 175.288 174.900 0.023 0.000 1.138 50 G CA 0.177 45.233 45.100 -0.073 0.000 0.793 50 G HN 0.145 nan 8.290 nan 0.000 0.539 51 V N 2.611 122.502 119.914 -0.038 0.000 2.258 51 V HA 0.162 4.282 4.120 -0.000 0.000 0.258 51 V C 1.566 177.642 176.094 -0.030 0.000 1.121 51 V CA 0.548 62.840 62.300 -0.014 0.000 0.942 51 V CB 0.097 31.859 31.823 -0.102 0.000 1.170 51 V HN 0.433 nan 8.190 nan 0.000 0.487 52 T N -0.958 113.594 114.554 -0.004 0.000 3.055 52 T HA -0.086 4.263 4.350 -0.000 0.000 0.265 52 T C 1.048 175.729 174.700 -0.030 0.000 1.111 52 T CA 0.873 62.961 62.100 -0.019 0.000 1.118 52 T CB -0.143 68.717 68.868 -0.013 0.000 0.909 52 T HN 0.668 nan 8.240 nan 0.000 0.501 53 D N 1.357 121.734 120.400 -0.039 0.000 2.388 53 D HA 0.331 4.971 4.640 -0.000 0.000 0.221 53 D C 0.520 176.786 176.300 -0.057 0.000 1.133 53 D CA -0.465 53.514 54.000 -0.035 0.000 0.831 53 D CB -0.375 40.419 40.800 -0.011 0.000 0.962 53 D HN 0.520 nan 8.370 nan 0.000 0.502 54 A N 0.654 123.426 122.820 -0.080 0.000 2.520 54 A HA 0.286 4.606 4.320 -0.000 0.000 0.245 54 A C 0.312 177.874 177.584 -0.037 0.000 1.072 54 A CA 0.021 51.999 52.037 -0.099 0.000 0.761 54 A CB 0.291 19.235 19.000 -0.094 0.000 1.004 54 A HN 0.280 nan 8.150 nan 0.000 0.499 55 Q N 1.311 121.108 119.800 -0.005 0.000 2.433 55 Q HA 0.487 4.827 4.340 -0.000 0.000 0.279 55 Q C -1.018 175.024 176.000 0.070 0.000 1.105 55 Q CA -1.132 54.693 55.803 0.036 0.000 0.815 55 Q CB 1.975 30.743 28.738 0.050 0.000 1.403 55 Q HN 0.459 nan 8.270 nan 0.000 0.435 56 V N 1.942 121.893 119.914 0.063 0.000 2.529 56 V HA -0.027 4.093 4.120 -0.000 0.000 0.292 56 V C 0.911 177.071 176.094 0.109 0.000 1.028 56 V CA 0.386 62.732 62.300 0.077 0.000 1.074 56 V CB 0.820 32.675 31.823 0.053 0.000 0.958 56 V HN 0.696 nan 8.190 nan 0.000 0.481 57 V N 3.447 123.443 119.914 0.137 0.000 2.581 57 V HA 0.175 4.295 4.120 -0.000 0.000 0.240 57 V C 0.719 176.889 176.094 0.127 0.000 1.054 57 V CA 1.294 63.692 62.300 0.163 0.000 1.076 57 V CB 0.637 32.593 31.823 0.220 0.000 0.748 57 V HN 0.980 nan 8.190 nan 0.000 0.474 58 S N -0.530 115.231 115.700 0.103 0.000 2.595 58 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 58 S C -1.352 173.287 174.600 0.065 0.000 1.145 58 S CA -1.020 57.224 58.200 0.074 0.000 0.825 58 S CB 2.355 65.595 63.200 0.066 0.000 1.107 58 S HN 0.148 nan 8.310 nan 0.000 0.461 59 R N 0.833 121.361 120.500 0.047 0.000 2.514 59 R HA 0.671 5.010 4.340 -0.000 0.000 0.301 59 R C -0.683 175.654 176.300 0.062 0.000 0.962 59 R CA -0.722 55.401 56.100 0.038 0.000 0.882 59 R CB 1.494 31.787 30.300 -0.012 0.000 1.143 59 R HN 0.644 nan 8.270 nan 0.000 0.452 60 R N 0.815 121.372 120.500 0.095 0.000 2.740 60 R HA 0.270 4.609 4.340 -0.000 0.000 0.273 60 R C -0.869 175.522 176.300 0.151 0.000 0.998 60 R CA -0.986 55.187 56.100 0.122 0.000 0.900 60 R CB 2.028 32.431 30.300 0.172 0.000 1.223 60 R HN 0.547 nan 8.270 nan 0.000 0.466 61 D N -0.105 120.371 120.400 0.126 0.000 2.312 61 D HA 0.484 5.124 4.640 -0.000 0.000 0.248 61 D C -0.730 175.402 176.300 -0.281 0.000 1.086 61 D CA 0.458 54.426 54.000 -0.053 0.000 0.948 61 D CB 1.256 42.023 40.800 -0.056 0.000 1.162 61 D HN 0.280 nan 8.370 nan 0.000 0.446 62 T N 1.057 115.330 114.554 -0.468 0.000 2.840 62 T HA 0.168 4.518 4.350 -0.000 0.000 0.317 62 T C 0.590 174.914 174.700 -0.627 0.000 1.401 62 T CA -0.607 61.021 62.100 -0.786 0.000 1.028 62 T CB 0.402 68.684 68.868 -0.976 0.000 1.317 62 T HN 0.312 nan 8.240 nan 0.000 0.495 63 F N 0.546 120.212 119.950 -0.473 0.000 2.373 63 F HA 0.210 4.737 4.527 -0.000 0.000 0.300 63 F C 1.631 177.301 175.800 -0.217 0.000 1.080 63 F CA 0.999 58.830 58.000 -0.282 0.000 1.417 63 F CB -0.386 38.476 39.000 -0.231 0.000 1.070 63 F HN 0.434 nan 8.300 nan 0.000 0.546 64 A N 0.093 122.493 122.820 -0.702 0.000 2.430 64 A HA 0.649 4.969 4.320 -0.000 0.000 0.243 64 A C 1.167 178.627 177.584 -0.207 0.000 1.254 64 A CA 0.306 52.124 52.037 -0.364 0.000 0.914 64 A CB -0.883 17.814 19.000 -0.505 0.000 0.998 64 A HN 1.020 nan 8.150 nan 0.000 0.515 65 G N -0.903 107.704 108.800 -0.321 0.000 2.549 65 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.404 65 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.404 65 G C -0.663 174.039 174.900 -0.329 0.000 1.292 65 G CA -0.505 44.390 45.100 -0.342 0.000 0.935 65 G HN 0.626 nan 8.290 nan 0.000 0.512 66 H N -0.406 118.589 119.070 -0.125 0.000 2.629 66 H HA 0.591 5.147 4.556 -0.000 0.000 0.357 66 H C 1.065 176.380 175.328 -0.022 0.000 1.121 66 H CA 0.516 56.511 56.048 -0.087 0.000 1.406 66 H CB 0.996 30.707 29.762 -0.084 0.000 1.456 66 H HN 0.732 nan 8.280 nan 0.000 0.579 67 I N -1.088 119.545 120.570 0.104 0.000 2.740 67 I HA 0.524 4.694 4.170 -0.000 0.000 0.303 67 I C -0.838 175.323 176.117 0.074 0.000 1.044 67 I CA -0.838 60.505 61.300 0.071 0.000 1.064 67 I CB 2.528 40.557 38.000 0.050 0.000 1.249 67 I HN 0.351 nan 8.210 nan 0.000 0.433 68 T N 6.077 120.668 114.554 0.061 0.000 2.772 68 T HA 0.415 4.765 4.350 -0.000 0.000 0.288 68 T C -0.419 174.323 174.700 0.071 0.000 0.994 68 T CA -0.294 61.839 62.100 0.055 0.000 0.951 68 T CB 1.083 69.973 68.868 0.037 0.000 0.933 68 T HN 0.498 nan 8.240 nan 0.000 0.447 69 L N 5.750 127.026 121.223 0.090 0.000 2.369 69 L HA 0.462 4.802 4.340 -0.000 0.000 0.279 69 L C -0.831 176.126 176.870 0.145 0.000 1.108 69 L CA 0.051 54.963 54.840 0.120 0.000 0.852 69 L CB -0.168 41.964 42.059 0.123 0.000 1.169 69 L HN 0.553 nan 8.230 nan 0.000 0.452 70 L N 5.284 126.593 121.223 0.143 0.000 2.334 70 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 70 L C -0.868 176.115 176.870 0.188 0.000 1.018 70 L CA -0.693 54.221 54.840 0.124 0.000 0.811 70 L CB 1.636 43.717 42.059 0.037 0.000 1.271 70 L HN 0.574 nan 8.230 nan 0.000 0.443 71 F N 0.227 120.129 119.950 -0.079 0.000 2.574 71 F HA 0.763 5.291 4.527 0.000 0.000 0.313 71 F C -0.159 175.459 175.800 -0.303 0.000 1.130 71 F CA -0.145 57.681 58.000 -0.290 0.000 0.936 71 F CB 1.906 40.670 39.000 -0.394 0.000 1.219 71 F HN 0.468 nan 8.300 nan 0.000 0.445 72 G N 3.000 111.075 108.800 -1.207 0.000 2.846 72 G HA2 0.539 4.499 3.960 -0.000 0.000 0.299 72 G HA3 0.539 4.499 3.960 -0.000 0.000 0.299 72 G C -2.165 171.913 174.900 -1.370 0.000 1.242 72 G CA -0.739 43.765 45.100 -0.994 0.000 0.800 72 G HN 0.686 nan 8.290 nan 0.000 0.538 73 H N -1.767 117.018 119.070 -0.476 0.000 2.768 73 H HA 0.632 5.188 4.556 -0.000 0.000 0.371 73 H C -1.930 173.312 175.328 -0.144 0.000 1.151 73 H CA -0.402 55.440 56.048 -0.343 0.000 1.165 73 H CB 2.500 32.098 29.762 -0.275 0.000 1.722 73 H HN 0.515 nan 8.280 nan 0.000 0.543 74 Y N 1.880 122.110 120.300 -0.116 0.000 2.354 74 Y HA 0.219 4.769 4.550 -0.000 0.000 0.330 74 Y C -0.413 175.444 175.900 -0.072 0.000 1.011 74 Y CA -0.978 57.061 58.100 -0.102 0.000 1.099 74 Y CB 0.886 39.267 38.460 -0.131 0.000 1.179 74 Y HN 0.775 nan 8.280 nan 0.000 0.442 75 N N 4.056 122.452 118.700 -0.507 0.000 2.727 75 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 75 N C 0.954 176.393 175.510 -0.118 0.000 1.048 75 N CA 1.781 54.659 53.050 -0.287 0.000 0.714 75 N CB -1.146 37.244 38.487 -0.162 0.000 0.959 75 N HN 1.365 nan 8.380 nan 0.000 0.544 76 G N -2.468 106.268 108.800 -0.106 0.000 2.234 76 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 76 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 76 G C 0.148 175.061 174.900 0.020 0.000 0.987 76 G CA 0.850 45.916 45.100 -0.057 0.000 0.625 76 G HN 1.259 nan 8.290 nan 0.000 0.532 77 V N 0.692 120.622 119.914 0.026 0.000 2.532 77 V HA 0.852 4.972 4.120 -0.000 0.000 0.295 77 V C 0.843 176.909 176.094 -0.047 0.000 1.041 77 V CA 0.241 62.558 62.300 0.028 0.000 0.926 77 V CB 1.537 33.369 31.823 0.015 0.000 0.992 77 V HN 1.322 nan 8.190 nan 0.000 0.457 78 G N 6.494 115.238 108.800 -0.094 0.000 2.354 78 G HA2 0.488 4.448 3.960 -0.000 0.000 0.266 78 G HA3 0.488 4.448 3.960 -0.000 0.000 0.266 78 G C -0.464 174.190 174.900 -0.410 0.000 1.242 78 G CA -0.382 44.481 45.100 -0.396 0.000 0.923 78 G HN 0.658 nan 8.290 nan 0.000 0.476 79 I N 2.870 123.020 120.570 -0.700 0.000 2.389 79 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 79 I C -0.783 175.076 176.117 -0.430 0.000 0.999 79 I CA -1.339 59.718 61.300 -0.405 0.000 1.129 79 I CB 1.224 39.042 38.000 -0.303 0.000 1.288 79 I HN 0.372 nan 8.210 nan 0.000 0.444 80 Y N 5.879 126.147 120.300 -0.053 0.000 2.310 80 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 80 Y C 0.233 176.097 175.900 -0.061 0.000 1.151 80 Y CA -0.376 57.736 58.100 0.020 0.000 1.195 80 Y CB 1.393 39.896 38.460 0.073 0.000 1.210 80 Y HN 0.326 nan 8.280 nan 0.000 0.483 81 L N 4.774 126.055 121.223 0.097 0.000 2.362 81 L HA 0.497 4.836 4.340 -0.000 0.000 0.275 81 L C -0.741 176.130 176.870 0.001 0.000 0.998 81 L CA -0.769 54.058 54.840 -0.023 0.000 0.820 81 L CB 1.869 43.883 42.059 -0.075 0.000 1.270 81 L HN 0.546 nan 8.230 nan 0.000 0.415 82 I N 2.087 122.617 120.570 -0.067 0.000 2.278 82 I HA 0.075 4.245 4.170 -0.000 0.000 0.296 82 I C -0.173 175.960 176.117 0.027 0.000 1.121 82 I CA -0.139 61.162 61.300 0.002 0.000 1.267 82 I CB 0.418 38.437 38.000 0.032 0.000 1.447 82 I HN 0.516 nan 8.210 nan 0.000 0.509 83 D N 6.551 126.973 120.400 0.036 0.000 2.352 83 D HA 0.456 5.096 4.640 -0.000 0.000 0.245 83 D C -0.217 176.113 176.300 0.050 0.000 1.224 83 D CA -0.043 53.980 54.000 0.038 0.000 0.879 83 D CB 0.946 41.756 40.800 0.017 0.000 1.057 83 D HN 0.617 nan 8.370 nan 0.000 0.491 84 A N 5.093 127.934 122.820 0.035 0.000 3.007 84 A HA 0.406 4.726 4.320 -0.000 0.000 0.314 84 A C -1.997 175.456 177.584 -0.218 0.000 1.153 84 A CA -0.977 50.991 52.037 -0.114 0.000 0.780 84 A CB 1.102 19.881 19.000 -0.369 0.000 1.258 84 A HN 0.378 nan 8.150 nan 0.000 0.460 85 P HA -0.238 nan 4.420 nan 0.000 0.217 85 P C 1.378 178.624 177.300 -0.090 0.000 1.148 85 P CA 1.774 64.852 63.100 -0.036 0.000 0.828 85 P CB -0.148 31.565 31.700 0.021 0.000 0.783 86 H N -1.108 117.874 119.070 -0.146 0.000 2.518 86 H HA 0.019 4.574 4.556 -0.000 0.000 0.289 86 H C 1.469 176.654 175.328 -0.238 0.000 1.051 86 H CA 0.958 56.911 56.048 -0.157 0.000 1.280 86 H CB -0.977 28.704 29.762 -0.135 0.000 1.380 86 H HN 0.209 nan 8.280 nan 0.000 0.566 87 L N -1.126 119.601 121.223 -0.827 0.000 2.467 87 L HA 0.062 4.402 4.340 -0.000 0.000 0.213 87 L C 1.415 177.937 176.870 -0.581 0.000 1.053 87 L CA 0.169 54.495 54.840 -0.856 0.000 0.847 87 L CB 0.062 41.292 42.059 -1.381 0.000 1.075 87 L HN 0.049 nan 8.230 nan 0.000 0.479 88 Y N -1.773 118.360 120.300 -0.277 0.000 2.444 88 Y HA 0.172 4.722 4.550 -0.000 0.000 0.252 88 Y C 0.710 176.575 175.900 -0.059 0.000 1.091 88 Y CA -1.089 56.910 58.100 -0.170 0.000 1.276 88 Y CB 0.067 38.324 38.460 -0.338 0.000 1.170 88 Y HN -0.054 nan 8.280 nan 0.000 0.517 89 D N 2.265 122.684 120.400 0.031 0.000 2.619 89 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 89 D C -0.283 176.020 176.300 0.005 0.000 1.133 89 D CA 0.092 54.110 54.000 0.030 0.000 1.017 89 D CB -0.156 40.650 40.800 0.009 0.000 1.077 89 D HN 0.141 nan 8.370 nan 0.000 0.503 90 R N 2.439 122.949 120.500 0.017 0.000 2.744 90 R HA 0.509 4.849 4.340 -0.000 0.000 0.279 90 R C -2.534 173.786 176.300 0.032 0.000 0.977 90 R CA -1.723 54.378 56.100 0.002 0.000 0.906 90 R CB 1.198 31.445 30.300 -0.088 0.000 1.197 90 R HN 0.157 nan 8.270 nan 0.000 0.463 91 P HA 0.221 nan 4.420 nan 0.000 0.274 91 P C 0.579 177.895 177.300 0.027 0.000 1.237 91 P CA 0.428 63.546 63.100 0.031 0.000 0.793 91 P CB 0.777 32.502 31.700 0.041 0.000 0.977 92 G N 0.620 109.404 108.800 -0.027 0.000 2.496 92 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.243 92 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.243 92 G C -0.007 174.793 174.900 -0.167 0.000 1.176 92 G CA 0.064 45.128 45.100 -0.059 0.000 0.940 92 G HN 0.791 nan 8.290 nan 0.000 0.573 93 S N 2.142 117.711 115.700 -0.219 0.000 2.562 93 S HA 0.482 4.952 4.470 -0.000 0.000 0.281 93 S C -0.163 174.155 174.600 -0.470 0.000 1.333 93 S CA 0.028 57.969 58.200 -0.432 0.000 1.052 93 S CB 1.187 63.915 63.200 -0.787 0.000 0.884 93 S HN 0.567 nan 8.310 nan 0.000 0.506 94 P HA 0.015 nan 4.420 nan 0.000 0.229 94 P C 0.118 177.137 177.300 -0.468 0.000 1.160 94 P CA 0.971 63.419 63.100 -1.087 0.000 0.777 94 P CB -0.050 30.440 31.700 -2.017 0.000 0.814 95 Y N -0.326 119.934 120.300 -0.067 0.000 2.524 95 Y HA 0.155 4.705 4.550 -0.000 0.000 0.270 95 Y C 1.744 177.754 175.900 0.183 0.000 1.094 95 Y CA -0.158 58.060 58.100 0.197 0.000 1.276 95 Y CB -0.251 38.291 38.460 0.137 0.000 1.130 95 Y HN 0.156 nan 8.280 nan 0.000 0.536 96 H N -1.639 117.486 119.070 0.091 0.000 3.008 96 H HA 0.390 4.946 4.556 -0.000 0.000 0.354 96 H C -1.364 173.603 175.328 -0.603 0.000 1.252 96 H CA -0.959 54.910 56.048 -0.298 0.000 1.117 96 H CB 1.621 31.345 29.762 -0.063 0.000 1.857 96 H HN 0.079 nan 8.280 nan 0.000 0.547 97 D N -0.217 119.879 120.400 -0.506 0.000 2.440 97 D HA 0.016 4.656 4.640 -0.000 0.000 0.269 97 D C 1.428 177.787 176.300 0.100 0.000 1.249 97 D CA 0.314 54.187 54.000 -0.211 0.000 1.055 97 D CB 0.138 40.887 40.800 -0.084 0.000 1.104 97 D HN 0.650 nan 8.370 nan 0.000 0.561 98 T N -3.213 111.411 114.554 0.116 0.000 2.995 98 T HA -0.083 4.266 4.350 -0.000 0.000 0.269 98 T C 0.862 175.620 174.700 0.096 0.000 1.091 98 T CA 0.842 63.011 62.100 0.115 0.000 1.128 98 T CB -0.847 68.081 68.868 0.099 0.000 0.891 98 T HN 0.473 nan 8.240 nan 0.000 0.492 99 N N 1.056 119.833 118.700 0.128 0.000 2.370 99 N HA 0.326 5.066 4.740 -0.000 0.000 0.198 99 N C -0.352 175.113 175.510 -0.075 0.000 1.156 99 N CA -0.233 52.898 53.050 0.135 0.000 0.839 99 N CB 0.019 38.722 38.487 0.360 0.000 0.989 99 N HN 0.003 nan 8.380 nan 0.000 0.468 100 L N -1.118 120.030 121.223 -0.126 0.000 4.759 100 L HA -0.215 4.125 4.340 -0.000 0.000 0.419 100 L C -0.835 175.747 176.870 -0.481 0.000 1.093 100 L CA 0.874 55.443 54.840 -0.451 0.000 1.037 100 L CB -2.438 39.319 42.059 -0.503 0.000 2.095 100 L HN 0.131 nan 8.230 nan 0.000 0.739 101 F N 0.401 120.305 119.950 -0.077 0.000 2.404 101 F HA 0.627 5.154 4.527 -0.000 0.000 0.345 101 F C 1.332 177.123 175.800 -0.016 0.000 1.110 101 F CA -0.297 57.684 58.000 -0.030 0.000 1.130 101 F CB 0.764 39.762 39.000 -0.004 0.000 1.129 101 F HN 0.110 nan 8.300 nan 0.000 0.500 102 A N 3.847 126.804 122.820 0.228 0.000 2.561 102 A HA 0.066 4.386 4.320 -0.000 0.000 0.234 102 A C -0.706 177.004 177.584 0.210 0.000 1.055 102 A CA -0.168 52.009 52.037 0.234 0.000 0.756 102 A CB -0.473 18.687 19.000 0.267 0.000 0.986 102 A HN 0.684 nan 8.150 nan 0.000 0.505 103 Y N 1.097 121.598 120.300 0.335 0.000 2.610 103 Y HA 0.039 4.589 4.550 -0.000 0.000 0.332 103 Y C 2.235 178.288 175.900 0.255 0.000 1.201 103 Y CA 0.966 59.223 58.100 0.262 0.000 1.465 103 Y CB 0.580 39.176 38.460 0.227 0.000 1.283 103 Y HN 0.888 nan 8.280 nan 0.000 0.563 104 T N -2.911 111.865 114.554 0.369 0.000 3.007 104 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 104 T C 0.673 175.531 174.700 0.263 0.000 1.107 104 T CA 1.168 63.443 62.100 0.291 0.000 1.118 104 T CB -0.198 68.809 68.868 0.232 0.000 0.889 104 T HN 0.726 nan 8.240 nan 0.000 0.506 105 D N -0.028 120.518 120.400 0.242 0.000 2.427 105 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 105 D C 1.186 177.571 176.300 0.142 0.000 1.157 105 D CA -0.407 53.675 54.000 0.138 0.000 0.828 105 D CB -0.655 40.185 40.800 0.066 0.000 0.974 105 D HN 0.077 nan 8.370 nan 0.000 0.498 106 N N 0.593 119.481 118.700 0.312 0.000 2.137 106 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 106 N C 1.800 177.455 175.510 0.241 0.000 1.017 106 N CA 0.714 54.046 53.050 0.470 0.000 0.859 106 N CB -0.282 38.696 38.487 0.819 0.000 1.002 106 N HN 0.206 nan 8.380 nan 0.000 0.428 107 V N 0.081 119.857 119.914 -0.229 0.000 2.392 107 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 107 V C 1.881 177.910 176.094 -0.108 0.000 1.059 107 V CA 1.354 63.155 62.300 -0.831 0.000 1.051 107 V CB -0.211 30.941 31.823 -1.119 0.000 0.658 107 V HN 0.147 nan 8.190 nan 0.000 0.455 108 L N -0.169 121.046 121.223 -0.013 0.000 2.095 108 L HA 0.034 4.374 4.340 -0.000 0.000 0.204 108 L C 2.599 179.525 176.870 0.094 0.000 1.080 108 L CA 1.753 56.670 54.840 0.129 0.000 0.759 108 L CB -1.108 40.982 42.059 0.052 0.000 0.914 108 L HN 0.273 nan 8.230 nan 0.000 0.439 109 R N -1.384 119.100 120.500 -0.026 0.000 2.091 109 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 109 R C 2.131 178.378 176.300 -0.088 0.000 1.136 109 R CA 1.748 57.740 56.100 -0.179 0.000 0.959 109 R CB -0.417 29.701 30.300 -0.304 0.000 0.856 109 R HN 0.251 nan 8.270 nan 0.000 0.437 110 F N -0.418 119.790 119.950 0.431 0.000 2.530 110 F HA 0.205 4.732 4.527 -0.000 0.000 0.292 110 F C 2.421 178.634 175.800 0.687 0.000 1.109 110 F CA 0.274 58.603 58.000 0.548 0.000 1.450 110 F CB -0.146 39.189 39.000 0.559 0.000 1.114 110 F HN 0.009 nan 8.300 nan 0.000 0.560 111 A N 0.454 123.773 122.820 0.832 0.000 1.908 111 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 111 A C 2.089 180.095 177.584 0.702 0.000 1.181 111 A CA 1.622 54.079 52.037 0.701 0.000 0.627 111 A CB -0.966 18.378 19.000 0.572 0.000 0.818 111 A HN 0.353 nan 8.150 nan 0.000 0.445 112 L N -0.411 121.110 121.223 0.497 0.000 2.046 112 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 112 L C 2.228 179.284 176.870 0.310 0.000 1.077 112 L CA 1.654 56.630 54.840 0.227 0.000 0.747 112 L CB -0.502 41.521 42.059 -0.060 0.000 0.896 112 L HN 0.451 nan 8.230 nan 0.000 0.432 113 L N -0.818 120.613 121.223 0.346 0.000 2.013 113 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 113 L C 2.310 179.368 176.870 0.313 0.000 1.073 113 L CA 1.929 56.948 54.840 0.297 0.000 0.753 113 L CB -1.067 41.211 42.059 0.364 0.000 0.890 113 L HN 0.499 nan 8.230 nan 0.000 0.432 114 G N -1.332 107.717 108.800 0.414 0.000 2.408 114 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.217 114 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.217 114 G C 1.237 176.338 174.900 0.336 0.000 1.150 114 G CA 0.596 45.941 45.100 0.408 0.000 0.776 114 G HN 0.621 nan 8.290 nan 0.000 0.542 115 W N 0.980 122.285 121.300 0.009 0.000 2.358 115 W HA -0.101 4.559 4.660 -0.000 0.000 0.303 115 W C 2.413 178.826 176.519 -0.177 0.000 1.208 115 W CA 1.739 58.819 57.345 -0.441 0.000 1.274 115 W CB -0.181 28.970 29.460 -0.515 0.000 1.138 115 W HN 0.031 nan 8.180 nan 0.000 0.515 116 V N 1.049 121.042 119.914 0.132 0.000 2.358 116 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 116 V C 2.485 178.488 176.094 -0.152 0.000 1.047 116 V CA 1.979 64.256 62.300 -0.037 0.000 1.035 116 V CB -1.677 30.214 31.823 0.113 0.000 0.658 116 V HN 0.414 nan 8.190 nan 0.000 0.452 117 G N -0.081 108.701 108.800 -0.031 0.000 2.476 117 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 117 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 117 G C 1.766 176.614 174.900 -0.086 0.000 1.164 117 G CA 1.211 46.303 45.100 -0.014 0.000 0.768 117 G HN 0.610 nan 8.290 nan 0.000 0.560 118 A N 0.327 123.074 122.820 -0.122 0.000 1.898 118 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 118 A C 2.242 179.634 177.584 -0.321 0.000 1.181 118 A CA 1.887 53.822 52.037 -0.169 0.000 0.620 118 A CB -0.326 18.613 19.000 -0.101 0.000 0.819 118 A HN 0.263 nan 8.150 nan 0.000 0.442 119 E N -0.408 119.447 120.200 -0.575 0.000 2.153 119 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 119 E C 1.987 178.375 176.600 -0.352 0.000 0.988 119 E CA 0.879 56.910 56.400 -0.616 0.000 0.811 119 E CB -0.363 28.744 29.700 -0.988 0.000 0.746 119 E HN 0.498 nan 8.360 nan 0.000 0.466 120 M N -0.054 119.374 119.600 -0.286 0.000 2.202 120 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 120 M C 2.168 178.366 176.300 -0.169 0.000 1.063 120 M CA 1.145 56.321 55.300 -0.207 0.000 1.097 120 M CB -1.022 31.464 32.600 -0.190 0.000 1.382 120 M HN 0.018 nan 8.290 nan 0.000 0.413 121 A N -1.154 121.563 122.820 -0.172 0.000 2.121 121 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 121 A C 2.134 179.625 177.584 -0.155 0.000 1.154 121 A CA 1.401 53.342 52.037 -0.159 0.000 0.679 121 A CB -0.383 18.538 19.000 -0.132 0.000 0.795 121 A HN 0.459 nan 8.150 nan 0.000 0.458 122 S N -1.675 113.926 115.700 -0.165 0.000 2.568 122 S HA 0.420 4.890 4.470 -0.000 0.000 0.232 122 S C 1.060 175.583 174.600 -0.129 0.000 0.975 122 S CA 0.520 58.636 58.200 -0.140 0.000 0.949 122 S CB 0.381 63.494 63.200 -0.144 0.000 0.829 122 S HN 1.520 nan 8.310 nan 0.000 0.479 123 G N 1.370 110.090 108.800 -0.134 0.000 2.134 123 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.209 123 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.209 123 G C 0.608 175.446 174.900 -0.104 0.000 0.993 123 G CA 0.174 45.205 45.100 -0.116 0.000 0.669 123 G HN 0.447 nan 8.290 nan 0.000 0.519 124 L N -0.063 121.089 121.223 -0.119 0.000 2.089 124 L HA -0.032 4.308 4.340 -0.000 0.000 0.213 124 L C 0.984 177.826 176.870 -0.048 0.000 1.079 124 L CA 2.253 57.037 54.840 -0.094 0.000 0.758 124 L CB -0.007 41.966 42.059 -0.143 0.000 0.891 124 L HN 0.391 nan 8.230 nan 0.000 0.433 125 D N -1.010 119.369 120.400 -0.036 0.000 2.373 125 D HA 0.170 4.810 4.640 -0.000 0.000 0.227 125 D C -1.783 174.508 176.300 -0.015 0.000 1.091 125 D CA -2.412 51.617 54.000 0.048 0.000 0.840 125 D CB 1.604 42.499 40.800 0.159 0.000 1.060 125 D HN -0.052 nan 8.370 nan 0.000 0.502 126 P HA -0.025 nan 4.420 nan 0.000 0.223 126 P C 0.498 177.481 177.300 -0.528 0.000 1.144 126 P CA 0.898 63.747 63.100 -0.419 0.000 0.783 126 P CB 0.032 31.312 31.700 -0.699 0.000 0.771 127 F N -4.546 115.434 119.950 0.050 0.000 2.678 127 F HA 0.332 4.859 4.527 -0.000 0.000 0.305 127 F C 0.534 176.430 175.800 0.161 0.000 1.090 127 F CA -0.369 57.671 58.000 0.067 0.000 1.272 127 F CB 0.225 39.245 39.000 0.034 0.000 1.060 127 F HN -0.128 nan 8.300 nan 0.000 0.576 128 W N 0.682 122.010 121.300 0.047 0.000 3.707 128 W HA 0.539 5.199 4.660 0.000 0.000 0.294 128 W C -1.458 175.047 176.519 -0.024 0.000 1.248 128 W CA -1.223 56.134 57.345 0.020 0.000 1.217 128 W CB 1.070 30.545 29.460 0.026 0.000 1.306 128 W HN -0.347 nan 8.180 nan 0.000 0.532 129 R N 6.259 126.428 120.500 -0.552 0.000 2.515 129 R HA 0.487 4.827 4.340 -0.000 0.000 0.291 129 R C -2.681 173.062 176.300 -0.929 0.000 1.046 129 R CA -1.657 54.138 56.100 -0.509 0.000 0.914 129 R CB 2.537 32.645 30.300 -0.320 0.000 1.191 129 R HN 0.145 nan 8.270 nan 0.000 0.435 130 P HA 0.109 nan 4.420 nan 0.000 0.278 130 P C -0.678 176.378 177.300 -0.407 0.000 1.238 130 P CA -0.181 62.522 63.100 -0.662 0.000 0.794 130 P CB 1.241 32.782 31.700 -0.266 0.000 0.955 131 D N 0.522 120.701 120.400 -0.369 0.000 2.194 131 D HA 0.022 4.662 4.640 -0.000 0.000 0.204 131 D C 0.385 176.544 176.300 -0.235 0.000 0.964 131 D CA 1.263 55.099 54.000 -0.272 0.000 0.846 131 D CB 0.392 41.031 40.800 -0.268 0.000 0.962 131 D HN 0.138 nan 8.370 nan 0.000 0.490 132 V N 1.470 121.216 119.914 -0.280 0.000 2.588 132 V HA 0.240 4.360 4.120 -0.000 0.000 0.304 132 V C -0.093 175.880 176.094 -0.202 0.000 1.042 132 V CA -0.821 61.322 62.300 -0.261 0.000 0.877 132 V CB 2.806 34.363 31.823 -0.443 0.000 0.996 132 V HN -0.260 nan 8.190 nan 0.000 0.425 133 V N 3.877 123.731 119.914 -0.101 0.000 2.350 133 V HA 0.331 4.451 4.120 -0.000 0.000 0.276 133 V C -0.187 175.932 176.094 0.042 0.000 1.028 133 V CA -0.416 61.874 62.300 -0.017 0.000 0.860 133 V CB 0.884 32.719 31.823 0.019 0.000 0.990 133 V HN 0.919 nan 8.190 nan 0.000 0.453 134 H N 4.124 123.152 119.070 -0.071 0.000 2.661 134 H HA 0.684 5.240 4.556 -0.000 0.000 0.290 134 H C 0.107 175.444 175.328 0.015 0.000 1.082 134 H CA -0.436 55.583 56.048 -0.048 0.000 1.234 134 H CB 0.852 30.516 29.762 -0.163 0.000 1.387 134 H HN 0.819 nan 8.280 nan 0.000 0.476 135 A N 5.267 128.244 122.820 0.262 0.000 2.306 135 A HA 0.332 4.652 4.320 -0.000 0.000 0.314 135 A C -0.872 176.690 177.584 -0.038 0.000 1.164 135 A CA -0.628 51.568 52.037 0.265 0.000 0.822 135 A CB 0.635 19.905 19.000 0.450 0.000 1.130 135 A HN 0.856 nan 8.150 nan 0.000 0.496 136 H N 1.660 120.835 119.070 0.175 0.000 2.646 136 H HA 0.349 4.905 4.556 -0.000 0.000 0.328 136 H C -0.907 174.470 175.328 0.081 0.000 0.998 136 H CA -0.076 56.014 56.048 0.069 0.000 1.225 136 H CB 1.225 31.032 29.762 0.073 0.000 1.457 136 H HN 0.924 nan 8.280 nan 0.000 0.505 137 D N 0.883 121.319 120.400 0.060 0.000 10.448 137 D HA -0.233 4.407 4.640 -0.000 0.000 0.360 137 D C 1.335 177.934 176.300 0.499 0.000 3.024 137 D CA 1.027 55.204 54.000 0.295 0.000 2.424 137 D CB -0.182 40.761 40.800 0.238 0.000 1.149 137 D HN 0.802 nan 8.370 nan 0.000 1.024 138 W N 0.981 122.461 121.300 0.301 0.000 2.350 138 W HA -0.214 4.446 4.660 -0.000 0.000 0.289 138 W C 1.645 178.318 176.519 0.256 0.000 1.215 138 W CA 1.549 59.045 57.345 0.251 0.000 1.236 138 W CB -1.145 28.344 29.460 0.048 0.000 1.130 138 W HN 0.547 nan 8.180 nan 0.000 0.541 139 H N 1.865 120.639 119.070 -0.493 0.000 2.426 139 H HA -0.042 4.514 4.556 -0.000 0.000 0.298 139 H C 2.402 177.881 175.328 0.251 0.000 1.107 139 H CA 2.643 58.344 56.048 -0.578 0.000 1.298 139 H CB -0.575 28.715 29.762 -0.786 0.000 1.377 139 H HN 0.263 nan 8.280 nan 0.000 0.519 140 A N 0.423 123.508 122.820 0.441 0.000 2.430 140 A HA 0.307 4.627 4.320 -0.000 0.000 0.243 140 A C 2.370 180.257 177.584 0.505 0.000 1.254 140 A CA 0.439 52.761 52.037 0.475 0.000 0.914 140 A CB -0.365 18.889 19.000 0.423 0.000 0.998 140 A HN 0.456 nan 8.150 nan 0.000 0.515 141 G N 0.209 109.337 108.800 0.547 0.000 2.462 141 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 141 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 141 G C 1.274 176.227 174.900 0.089 0.000 1.121 141 G CA 0.928 46.219 45.100 0.318 0.000 0.758 141 G HN 0.465 nan 8.290 nan 0.000 0.559 142 L N 0.358 121.602 121.223 0.035 0.000 2.478 142 L HA 0.110 4.450 4.340 -0.000 0.000 0.223 142 L C 3.232 180.161 176.870 0.099 0.000 1.140 142 L CA 0.414 55.182 54.840 -0.119 0.000 0.842 142 L CB -0.308 41.581 42.059 -0.283 0.000 0.953 142 L HN 0.299 nan 8.230 nan 0.000 0.452 143 A N 1.490 124.461 122.820 0.251 0.000 1.892 143 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 143 A C -0.127 177.562 177.584 0.175 0.000 1.188 143 A CA 1.772 53.969 52.037 0.268 0.000 0.631 143 A CB -1.720 17.431 19.000 0.251 0.000 0.822 143 A HN 0.285 nan 8.150 nan 0.000 0.447 144 P HA -0.020 nan 4.420 nan 0.000 0.221 144 P C 1.573 178.887 177.300 0.025 0.000 1.150 144 P CA 1.575 64.742 63.100 0.112 0.000 0.800 144 P CB -0.072 31.716 31.700 0.147 0.000 0.787 145 A N -1.250 121.495 122.820 -0.124 0.000 1.873 145 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 145 A C 2.039 179.483 177.584 -0.233 0.000 1.186 145 A CA 1.293 53.044 52.037 -0.477 0.000 0.616 145 A CB -1.850 16.801 19.000 -0.581 0.000 0.823 145 A HN 0.138 nan 8.150 nan 0.000 0.442 146 Y N -0.796 119.485 120.300 -0.032 0.000 2.224 146 Y HA -0.181 4.369 4.550 -0.000 0.000 0.289 146 Y C 2.287 178.171 175.900 -0.026 0.000 1.146 146 Y CA 0.774 58.866 58.100 -0.013 0.000 1.182 146 Y CB -0.234 38.230 38.460 0.008 0.000 0.983 146 Y HN 0.202 nan 8.280 nan 0.000 0.524 147 L N -0.055 121.240 121.223 0.119 0.000 1.989 147 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 147 L C 2.580 179.492 176.870 0.071 0.000 1.071 147 L CA 1.960 56.837 54.840 0.063 0.000 0.749 147 L CB -1.630 40.460 42.059 0.052 0.000 0.890 147 L HN 0.229 nan 8.230 nan 0.000 0.431 148 A N -0.731 122.137 122.820 0.081 0.000 1.892 148 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 148 A C 2.418 180.124 177.584 0.204 0.000 1.188 148 A CA 2.138 54.257 52.037 0.137 0.000 0.631 148 A CB -1.010 18.063 19.000 0.122 0.000 0.822 148 A HN 0.444 nan 8.150 nan 0.000 0.447 149 A N -1.319 121.625 122.820 0.206 0.000 2.070 149 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 149 A C 1.993 179.617 177.584 0.067 0.000 1.159 149 A CA 1.293 53.386 52.037 0.093 0.000 0.656 149 A CB -0.286 18.640 19.000 -0.124 0.000 0.800 149 A HN 0.373 nan 8.150 nan 0.000 0.453 150 R N -1.466 119.076 120.500 0.070 0.000 2.393 150 R HA 0.198 4.537 4.340 -0.000 0.000 0.244 150 R C 1.029 177.350 176.300 0.036 0.000 0.920 150 R CA 0.668 56.793 56.100 0.041 0.000 1.076 150 R CB -0.210 30.099 30.300 0.015 0.000 1.119 150 R HN 0.783 nan 8.270 nan 0.000 0.524 151 G N 2.206 111.040 108.800 0.057 0.000 2.132 151 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.228 151 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.228 151 G C -0.077 174.841 174.900 0.031 0.000 1.000 151 G CA 0.026 45.154 45.100 0.047 0.000 0.693 151 G HN 0.358 nan 8.290 nan 0.000 0.515 152 R N -2.272 118.248 120.500 0.033 0.000 3.146 152 R HA -0.183 4.157 4.340 -0.000 0.000 0.250 152 R C -0.956 175.339 176.300 -0.009 0.000 0.912 152 R CA 0.690 56.801 56.100 0.018 0.000 0.633 152 R CB -1.461 28.854 30.300 0.026 0.000 1.180 152 R HN 0.493 nan 8.270 nan 0.000 0.464 153 P HA -0.048 nan 4.420 nan 0.000 0.228 153 P C 0.070 177.330 177.300 -0.067 0.000 1.151 153 P CA 1.468 64.539 63.100 -0.049 0.000 0.770 153 P CB 0.477 32.139 31.700 -0.063 0.000 0.786 154 A N -0.988 121.796 122.820 -0.060 0.000 2.566 154 A HA 0.583 4.903 4.320 -0.000 0.000 0.292 154 A C -0.454 177.101 177.584 -0.048 0.000 1.112 154 A CA -0.750 51.241 52.037 -0.076 0.000 0.707 154 A CB 1.491 20.428 19.000 -0.106 0.000 1.302 154 A HN -0.271 nan 8.150 nan 0.000 0.409 155 K N 0.853 121.219 120.400 -0.058 0.000 2.168 155 K HA 0.568 4.888 4.320 -0.000 0.000 0.258 155 K C 0.045 176.634 176.600 -0.019 0.000 1.010 155 K CA 0.104 56.374 56.287 -0.028 0.000 0.929 155 K CB 1.187 33.669 32.500 -0.030 0.000 0.998 155 K HN 0.933 nan 8.250 nan 0.000 0.479 156 S N -1.199 114.514 115.700 0.021 0.000 2.547 156 S HA 0.482 4.952 4.470 -0.000 0.000 0.281 156 S C -0.682 173.959 174.600 0.069 0.000 1.118 156 S CA -0.965 57.261 58.200 0.044 0.000 0.947 156 S CB 1.557 64.807 63.200 0.082 0.000 1.053 156 S HN 0.368 nan 8.310 nan 0.000 0.482 157 V N 2.985 122.914 119.914 0.026 0.000 2.628 157 V HA 0.846 4.966 4.120 -0.000 0.000 0.306 157 V C -1.448 174.703 176.094 0.095 0.000 1.045 157 V CA -1.044 61.267 62.300 0.018 0.000 0.905 157 V CB 1.443 33.196 31.823 -0.116 0.000 0.997 157 V HN 0.965 nan 8.190 nan 0.000 0.436 158 F N 5.331 125.306 119.950 0.043 0.000 2.449 158 F HA 0.686 5.213 4.527 -0.000 0.000 0.342 158 F C 0.169 176.047 175.800 0.131 0.000 1.127 158 F CA -0.096 57.964 58.000 0.101 0.000 0.975 158 F CB 1.727 40.795 39.000 0.114 0.000 1.146 158 F HN 0.800 nan 8.300 nan 0.000 0.444 159 T N 5.969 120.248 114.554 -0.459 0.000 2.767 159 T HA 0.472 4.822 4.350 -0.000 0.000 0.284 159 T C -1.002 173.441 174.700 -0.428 0.000 0.973 159 T CA -0.662 61.275 62.100 -0.272 0.000 0.996 159 T CB 1.051 69.954 68.868 0.058 0.000 0.927 159 T HN 0.667 nan 8.240 nan 0.000 0.456 160 V N 6.329 126.161 119.914 -0.137 0.000 2.406 160 V HA 0.399 4.519 4.120 -0.000 0.000 0.272 160 V C 0.617 176.774 176.094 0.104 0.000 1.043 160 V CA -0.023 62.326 62.300 0.081 0.000 0.915 160 V CB 0.272 32.262 31.823 0.278 0.000 0.988 160 V HN 1.073 nan 8.190 nan 0.000 0.466 161 H N 5.095 124.283 119.070 0.198 0.000 2.582 161 H HA 0.301 4.857 4.556 -0.000 0.000 0.269 161 H C 0.303 175.764 175.328 0.221 0.000 0.962 161 H CA 0.376 56.538 56.048 0.190 0.000 1.230 161 H CB 0.760 30.611 29.762 0.149 0.000 1.445 161 H HN 0.710 nan 8.280 nan 0.000 0.528 162 N N 0.462 119.435 118.700 0.454 0.000 2.839 162 N HA -0.024 4.716 4.740 -0.000 0.000 0.258 162 N C -0.350 175.507 175.510 0.577 0.000 1.150 162 N CA -0.187 53.176 53.050 0.522 0.000 0.957 162 N CB 1.308 40.118 38.487 0.539 0.000 1.560 162 N HN 0.002 nan 8.380 nan 0.000 0.588 163 L N 3.116 124.697 121.223 0.596 0.000 2.552 163 L HA 0.318 4.658 4.340 -0.000 0.000 0.227 163 L C 2.028 179.123 176.870 0.374 0.000 1.146 163 L CA 1.092 56.195 54.840 0.438 0.000 0.858 163 L CB -0.066 42.183 42.059 0.317 0.000 0.969 163 L HN 0.740 nan 8.230 nan 0.000 0.451 164 A N -1.717 121.294 122.820 0.318 0.000 2.167 164 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 164 A C 0.079 177.439 177.584 -0.373 0.000 1.151 164 A CA 0.439 52.379 52.037 -0.161 0.000 0.735 164 A CB -0.555 18.295 19.000 -0.251 0.000 0.802 164 A HN 0.347 nan 8.150 nan 0.000 0.467 165 Y N 0.116 120.486 120.300 0.116 0.000 2.417 165 Y HA 0.377 4.927 4.550 -0.000 0.000 0.336 165 Y C 1.033 176.883 175.900 -0.083 0.000 0.961 165 Y CA -0.431 57.687 58.100 0.030 0.000 1.215 165 Y CB 1.173 39.771 38.460 0.230 0.000 1.120 165 Y HN 0.251 nan 8.280 nan 0.000 0.499 166 Q N 2.373 122.024 119.800 -0.248 0.000 2.319 166 Q HA 0.197 4.536 4.340 -0.000 0.000 0.209 166 Q C 1.131 176.830 176.000 -0.502 0.000 0.884 166 Q CA 0.247 55.888 55.803 -0.270 0.000 0.938 166 Q CB 0.857 29.460 28.738 -0.225 0.000 1.098 166 Q HN 1.034 nan 8.270 nan 0.000 0.517 167 G N 2.357 110.397 108.800 -1.265 0.000 2.367 167 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.295 167 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.295 167 G C -0.165 174.169 174.900 -0.943 0.000 1.019 167 G CA -0.016 44.067 45.100 -1.695 0.000 1.224 167 G HN 0.058 nan 8.290 nan 0.000 0.510 168 M N -0.023 118.979 119.600 -0.997 0.000 2.146 168 M HA 0.657 5.137 4.480 -0.000 0.000 0.357 168 M C 0.058 175.766 176.300 -0.987 0.000 1.261 168 M CA -0.377 54.545 55.300 -0.630 0.000 1.106 168 M CB 0.243 32.597 32.600 -0.410 0.000 1.612 168 M HN 0.193 nan 8.290 nan 0.000 0.470 169 F N 1.158 121.031 119.950 -0.129 0.000 2.599 169 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 169 F C -0.279 175.522 175.800 0.001 0.000 1.076 169 F CA -1.013 56.922 58.000 -0.108 0.000 0.937 169 F CB 1.133 40.118 39.000 -0.024 0.000 1.282 169 F HN 0.390 nan 8.300 nan 0.000 0.460 170 Y N 0.727 121.196 120.300 0.281 0.000 2.683 170 Y HA 0.133 4.683 4.550 -0.000 0.000 0.340 170 Y C 1.435 177.313 175.900 -0.036 0.000 1.245 170 Y CA 0.071 58.214 58.100 0.072 0.000 1.485 170 Y CB 0.602 39.016 38.460 -0.076 0.000 1.328 170 Y HN 0.805 nan 8.280 nan 0.000 0.603 171 A N 2.171 125.093 122.820 0.169 0.000 1.978 171 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 171 A C 1.773 179.259 177.584 -0.163 0.000 1.170 171 A CA 2.026 54.012 52.037 -0.085 0.000 0.636 171 A CB -1.179 17.655 19.000 -0.276 0.000 0.810 171 A HN 1.033 nan 8.150 nan 0.000 0.448 172 H N -2.510 116.555 119.070 -0.008 0.000 2.489 172 H HA -0.091 4.464 4.556 -0.000 0.000 0.293 172 H C 1.545 176.846 175.328 -0.046 0.000 1.066 172 H CA 1.470 57.514 56.048 -0.007 0.000 1.305 172 H CB -0.658 29.067 29.762 -0.061 0.000 1.386 172 H HN 0.580 nan 8.280 nan 0.000 0.551 173 H N 0.220 119.139 119.070 -0.253 0.000 2.561 173 H HA -0.028 4.528 4.556 -0.000 0.000 0.278 173 H C 1.564 176.792 175.328 -0.167 0.000 1.014 173 H CA 0.942 56.915 56.048 -0.125 0.000 1.211 173 H CB 0.117 29.814 29.762 -0.108 0.000 1.365 173 H HN 0.419 nan 8.280 nan 0.000 0.594 174 M N 0.170 119.628 119.600 -0.237 0.000 2.267 174 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 174 M C 1.936 177.968 176.300 -0.447 0.000 1.063 174 M CA 0.766 55.715 55.300 -0.585 0.000 1.090 174 M CB -0.931 30.768 32.600 -1.502 0.000 1.392 174 M HN 0.372 nan 8.290 nan 0.000 0.422 175 N N 0.216 118.847 118.700 -0.115 0.000 2.381 175 N HA -0.145 4.595 4.740 -0.000 0.000 0.182 175 N C 0.462 175.990 175.510 0.029 0.000 1.025 175 N CA 0.896 53.995 53.050 0.082 0.000 0.888 175 N CB 0.244 38.862 38.487 0.217 0.000 0.965 175 N HN 0.357 nan 8.380 nan 0.000 0.438 176 D N 0.129 120.532 120.400 0.006 0.000 2.389 176 D HA 0.067 4.707 4.640 -0.000 0.000 0.206 176 D C 1.467 177.654 176.300 -0.188 0.000 1.055 176 D CA 0.195 54.209 54.000 0.023 0.000 0.856 176 D CB 0.643 41.540 40.800 0.161 0.000 0.957 176 D HN 0.529 nan 8.370 nan 0.000 0.509 177 I N -2.244 118.099 120.570 -0.379 0.000 4.081 177 I HA 0.255 4.425 4.170 -0.000 0.000 0.333 177 I C 0.158 175.802 176.117 -0.789 0.000 1.413 177 I CA -0.186 60.602 61.300 -0.854 0.000 1.110 177 I CB 0.325 38.051 38.000 -0.457 0.000 1.082 177 I HN -0.270 nan 8.210 nan 0.000 0.402 178 Q N 1.639 121.183 119.800 -0.428 0.000 2.468 178 Q HA -0.111 4.228 4.340 -0.000 0.000 0.289 178 Q C -1.063 174.881 176.000 -0.094 0.000 1.299 178 Q CA 0.446 56.138 55.803 -0.185 0.000 0.838 178 Q CB -0.909 27.782 28.738 -0.078 0.000 1.195 178 Q HN 0.678 nan 8.270 nan 0.000 0.456 179 L N 0.166 121.241 121.223 -0.246 0.000 2.330 179 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 179 L C -1.937 174.689 176.870 -0.406 0.000 1.013 179 L CA -2.352 52.267 54.840 -0.368 0.000 0.816 179 L CB 1.315 43.096 42.059 -0.463 0.000 1.287 179 L HN -0.019 nan 8.230 nan 0.000 0.435 180 P HA -0.067 nan 4.420 nan 0.000 0.262 180 P C -0.166 177.045 177.300 -0.147 0.000 1.182 180 P CA 0.197 63.087 63.100 -0.350 0.000 0.761 180 P CB 0.339 31.712 31.700 -0.545 0.000 0.795 181 W N 1.980 123.261 121.300 -0.032 0.000 2.364 181 W HA -0.188 4.472 4.660 -0.000 0.000 0.281 181 W C 2.367 178.991 176.519 0.174 0.000 1.219 181 W CA 1.813 59.199 57.345 0.068 0.000 1.220 181 W CB -0.524 28.962 29.460 0.044 0.000 1.127 181 W HN 0.384 nan 8.180 nan 0.000 0.556 182 S N -1.062 114.872 115.700 0.389 0.000 2.469 182 S HA -0.200 4.270 4.470 -0.000 0.000 0.238 182 S C 1.587 176.487 174.600 0.501 0.000 0.998 182 S CA 0.733 59.170 58.200 0.395 0.000 0.957 182 S CB -0.885 62.510 63.200 0.325 0.000 0.764 182 S HN 0.119 nan 8.310 nan 0.000 0.514 183 F N 1.122 121.174 119.950 0.169 0.000 2.407 183 F HA 0.323 4.849 4.527 -0.000 0.000 0.299 183 F C 0.889 176.777 175.800 0.146 0.000 1.097 183 F CA -1.065 57.027 58.000 0.154 0.000 1.422 183 F CB -0.877 38.150 39.000 0.045 0.000 1.067 183 F HN 0.281 nan 8.300 nan 0.000 0.539 184 F N 2.547 122.637 119.950 0.234 0.000 2.600 184 F HA 0.206 4.733 4.527 -0.000 0.000 0.345 184 F C 0.201 176.093 175.800 0.154 0.000 1.271 184 F CA 0.031 58.127 58.000 0.160 0.000 1.138 184 F CB -0.581 38.518 39.000 0.165 0.000 1.449 184 F HN -0.124 nan 8.300 nan 0.000 0.645 185 N N 4.814 123.377 118.700 -0.229 0.000 2.636 185 N HA 0.164 4.904 4.740 -0.000 0.000 0.261 185 N C 0.797 176.123 175.510 -0.306 0.000 1.195 185 N CA -0.511 52.435 53.050 -0.174 0.000 0.902 185 N CB 1.294 39.774 38.487 -0.012 0.000 1.627 185 N HN 0.399 nan 8.380 nan 0.000 0.491 186 I N 0.857 121.273 120.570 -0.257 0.000 2.335 186 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 186 I C 0.485 176.291 176.117 -0.518 0.000 1.129 186 I CA 1.027 62.131 61.300 -0.327 0.000 1.402 186 I CB -0.274 37.569 38.000 -0.262 0.000 1.069 186 I HN 0.347 nan 8.210 nan 0.000 0.424 187 H N 1.473 120.329 119.070 -0.356 0.000 2.799 187 H HA 0.390 4.946 4.556 -0.000 0.000 0.225 187 H C 0.585 175.281 175.328 -1.054 0.000 1.904 187 H CA 0.512 56.222 56.048 -0.563 0.000 1.344 187 H CB -0.213 29.441 29.762 -0.180 0.000 1.744 187 H HN 0.398 nan 8.280 nan 0.000 0.542 188 G N 0.629 108.573 108.800 -1.427 0.000 2.452 188 G HA2 0.007 3.967 3.960 -0.000 0.000 0.224 188 G HA3 0.007 3.967 3.960 -0.000 0.000 0.224 188 G C -0.263 174.262 174.900 -0.625 0.000 1.208 188 G CA -0.576 43.895 45.100 -1.049 0.000 0.946 188 G HN 0.232 nan 8.290 nan 0.000 0.481 189 L N -0.524 120.598 121.223 -0.168 0.000 2.653 189 L HA 0.532 4.872 4.340 -0.000 0.000 0.231 189 L C 0.603 177.431 176.870 -0.070 0.000 1.153 189 L CA -0.206 54.619 54.840 -0.025 0.000 0.933 189 L CB -0.019 42.136 42.059 0.160 0.000 1.175 189 L HN 0.437 nan 8.230 nan 0.000 0.473 190 E N 1.054 121.090 120.200 -0.274 0.000 2.313 190 E HA 0.286 4.636 4.350 -0.000 0.000 0.276 190 E C -1.652 174.886 176.600 -0.102 0.000 1.031 190 E CA -0.413 55.733 56.400 -0.423 0.000 0.857 190 E CB 0.991 30.143 29.700 -0.914 0.000 1.040 190 E HN 0.192 nan 8.360 nan 0.000 0.408 191 F N 4.856 124.694 119.950 -0.187 0.000 2.689 191 F HA 0.196 4.723 4.527 -0.000 0.000 0.332 191 F C 0.012 175.779 175.800 -0.055 0.000 1.209 191 F CA -0.653 57.280 58.000 -0.112 0.000 1.028 191 F CB 0.551 39.507 39.000 -0.073 0.000 1.291 191 F HN 0.769 nan 8.300 nan 0.000 0.500 192 N N 4.477 122.843 118.700 -0.557 0.000 2.725 192 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 192 N C 0.959 176.397 175.510 -0.120 0.000 1.031 192 N CA 0.889 53.690 53.050 -0.416 0.000 0.720 192 N CB -0.750 37.384 38.487 -0.587 0.000 0.930 192 N HN 1.621 nan 8.380 nan 0.000 0.543 193 G N -0.933 107.852 108.800 -0.024 0.000 2.175 193 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.265 193 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.265 193 G C -0.067 175.036 174.900 0.339 0.000 0.979 193 G CA 1.149 46.349 45.100 0.166 0.000 0.663 193 G HN 0.639 nan 8.290 nan 0.000 0.533 194 Q N -1.203 118.759 119.800 0.270 0.000 2.552 194 Q HA 0.699 5.039 4.340 -0.000 0.000 0.289 194 Q C 0.060 176.318 176.000 0.431 0.000 1.097 194 Q CA -1.192 54.830 55.803 0.364 0.000 0.812 194 Q CB 1.720 30.576 28.738 0.196 0.000 1.460 194 Q HN 0.286 nan 8.270 nan 0.000 0.452 195 I N 1.123 121.977 120.570 0.473 0.000 2.496 195 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 195 I C 0.045 176.384 176.117 0.369 0.000 1.080 195 I CA 0.252 61.822 61.300 0.450 0.000 1.404 195 I CB 1.025 39.324 38.000 0.497 0.000 1.403 195 I HN 0.309 nan 8.210 nan 0.000 0.539 196 S N 5.658 121.547 115.700 0.314 0.000 2.596 196 S HA 0.371 4.841 4.470 -0.000 0.000 0.318 196 S C 0.729 175.549 174.600 0.366 0.000 1.097 196 S CA -0.587 57.762 58.200 0.247 0.000 1.080 196 S CB 0.460 63.703 63.200 0.071 0.000 0.991 196 S HN 0.431 nan 8.310 nan 0.000 0.471 197 F N 3.529 123.592 119.950 0.188 0.000 2.171 197 F HA -0.013 4.513 4.527 -0.000 0.000 0.300 197 F C 1.979 177.880 175.800 0.168 0.000 1.090 197 F CA 0.745 58.915 58.000 0.282 0.000 1.293 197 F CB -0.475 38.882 39.000 0.595 0.000 1.013 197 F HN 0.575 nan 8.300 nan 0.000 0.486 198 L N -0.141 121.270 121.223 0.313 0.000 1.994 198 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 198 L C 2.737 179.563 176.870 -0.072 0.000 1.071 198 L CA 1.652 56.587 54.840 0.158 0.000 0.745 198 L CB -0.420 41.709 42.059 0.116 0.000 0.892 198 L HN 0.012 nan 8.230 nan 0.000 0.431 199 K N 0.258 120.598 120.400 -0.100 0.000 2.044 199 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 199 K C 1.979 178.528 176.600 -0.085 0.000 1.049 199 K CA 1.748 57.949 56.287 -0.142 0.000 0.927 199 K CB -0.445 31.970 32.500 -0.142 0.000 0.713 199 K HN 0.454 nan 8.250 nan 0.000 0.443 200 A N 0.237 123.056 122.820 -0.003 0.000 1.883 200 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 200 A C 2.462 180.043 177.584 -0.005 0.000 1.186 200 A CA 2.350 54.452 52.037 0.108 0.000 0.624 200 A CB -1.184 17.861 19.000 0.074 0.000 0.822 200 A HN 0.461 nan 8.150 nan 0.000 0.444 201 G N -0.242 108.348 108.800 -0.349 0.000 2.421 201 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 201 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 201 G C 1.563 176.034 174.900 -0.715 0.000 1.171 201 G CA 1.066 45.605 45.100 -0.934 0.000 0.775 201 G HN 0.440 nan 8.290 nan 0.000 0.543 202 L N -1.240 119.671 121.223 -0.520 0.000 2.083 202 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 202 L C 2.597 179.387 176.870 -0.133 0.000 1.083 202 L CA 1.255 55.986 54.840 -0.180 0.000 0.752 202 L CB -0.434 41.569 42.059 -0.093 0.000 0.899 202 L HN 0.318 nan 8.230 nan 0.000 0.433 203 Y N -0.705 119.426 120.300 -0.281 0.000 2.206 203 Y HA -0.219 4.330 4.550 -0.000 0.000 0.292 203 Y C 2.201 177.845 175.900 -0.426 0.000 1.123 203 Y CA 1.485 59.344 58.100 -0.401 0.000 1.142 203 Y CB -0.085 38.008 38.460 -0.612 0.000 1.006 203 Y HN 0.004 nan 8.280 nan 0.000 0.518 204 Y N 0.030 120.267 120.300 -0.105 0.000 2.517 204 Y HA 0.323 4.873 4.550 -0.000 0.000 0.281 204 Y C 1.482 177.314 175.900 -0.114 0.000 1.125 204 Y CA -0.144 57.873 58.100 -0.138 0.000 1.283 204 Y CB -0.377 38.048 38.460 -0.057 0.000 1.042 204 Y HN 0.066 nan 8.280 nan 0.000 0.547 205 A N 0.709 123.551 122.820 0.036 0.000 2.483 205 A HA -0.029 4.291 4.320 -0.000 0.000 0.238 205 A C 0.979 178.576 177.584 0.023 0.000 1.070 205 A CA -0.016 52.064 52.037 0.072 0.000 0.770 205 A CB 0.142 19.230 19.000 0.147 0.000 1.008 205 A HN 0.355 nan 8.150 nan 0.000 0.497 206 D N -0.322 120.113 120.400 0.059 0.000 2.178 206 D HA -0.056 4.584 4.640 -0.000 0.000 0.202 206 D C 0.371 176.736 176.300 0.108 0.000 0.974 206 D CA 1.620 55.654 54.000 0.057 0.000 0.841 206 D CB 0.081 40.922 40.800 0.068 0.000 0.953 206 D HN 0.647 nan 8.370 nan 0.000 0.478 207 H N -0.864 118.223 119.070 0.028 0.000 3.038 207 H HA 0.379 4.935 4.556 -0.000 0.000 0.362 207 H C -1.189 174.185 175.328 0.078 0.000 1.167 207 H CA -0.521 55.549 56.048 0.038 0.000 1.197 207 H CB 1.360 31.144 29.762 0.036 0.000 1.840 207 H HN -0.195 nan 8.280 nan 0.000 0.540 208 I N 2.837 123.299 120.570 -0.179 0.000 2.441 208 I HA 0.244 4.414 4.170 -0.000 0.000 0.295 208 I C 0.227 176.387 176.117 0.072 0.000 0.994 208 I CA -0.419 60.905 61.300 0.040 0.000 1.144 208 I CB 2.103 40.114 38.000 0.019 0.000 1.314 208 I HN 0.385 nan 8.210 nan 0.000 0.445 209 T N 4.339 119.000 114.554 0.178 0.000 2.876 209 T HA 0.753 5.103 4.350 -0.000 0.000 0.289 209 T C -0.572 174.207 174.700 0.132 0.000 1.014 209 T CA -0.427 61.792 62.100 0.199 0.000 0.986 209 T CB 1.809 70.863 68.868 0.311 0.000 1.021 209 T HN 0.688 nan 8.240 nan 0.000 0.458 210 A N 1.845 124.732 122.820 0.113 0.000 2.350 210 A HA 0.735 5.054 4.320 -0.000 0.000 0.318 210 A C 0.773 178.424 177.584 0.113 0.000 1.132 210 A CA -0.503 51.607 52.037 0.122 0.000 0.811 210 A CB 1.196 20.275 19.000 0.132 0.000 1.313 210 A HN 0.639 nan 8.150 nan 0.000 0.454 211 V N 1.008 120.985 119.914 0.105 0.000 3.623 211 V HA 0.148 4.268 4.120 -0.000 0.000 0.271 211 V C 0.544 176.658 176.094 0.033 0.000 1.248 211 V CA 1.567 63.894 62.300 0.045 0.000 1.156 211 V CB -0.785 31.004 31.823 -0.056 0.000 0.870 211 V HN 1.039 nan 8.190 nan 0.000 0.453 212 S N -2.554 113.182 115.700 0.060 0.000 2.550 212 S HA 0.505 4.975 4.470 -0.000 0.000 0.270 212 S C -2.429 172.186 174.600 0.027 0.000 1.145 212 S CA -1.021 57.189 58.200 0.017 0.000 0.852 212 S CB 1.830 65.018 63.200 -0.019 0.000 1.119 212 S HN -0.091 nan 8.310 nan 0.000 0.465 213 P HA -0.122 nan 4.420 nan 0.000 0.215 213 P C 1.801 179.082 177.300 -0.032 0.000 1.153 213 P CA 2.357 65.446 63.100 -0.018 0.000 0.853 213 P CB -0.162 31.523 31.700 -0.026 0.000 0.788 214 T N -3.452 111.082 114.554 -0.033 0.000 2.942 214 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 214 T C 1.850 176.508 174.700 -0.069 0.000 1.062 214 T CA 0.574 62.636 62.100 -0.064 0.000 1.139 214 T CB -1.119 67.704 68.868 -0.076 0.000 0.883 214 T HN -0.098 nan 8.240 nan 0.000 0.468 215 Y N 2.182 122.383 120.300 -0.166 0.000 2.165 215 Y HA 0.081 4.631 4.550 0.000 0.000 0.286 215 Y C 2.718 178.526 175.900 -0.153 0.000 1.155 215 Y CA 0.807 58.798 58.100 -0.182 0.000 1.164 215 Y CB -1.036 37.366 38.460 -0.097 0.000 0.978 215 Y HN 0.350 nan 8.280 nan 0.000 0.513 216 A N 0.250 123.019 122.820 -0.085 0.000 1.978 216 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 216 A C 2.358 179.808 177.584 -0.225 0.000 1.170 216 A CA 1.858 53.804 52.037 -0.151 0.000 0.636 216 A CB -0.514 18.451 19.000 -0.058 0.000 0.810 216 A HN 0.524 nan 8.150 nan 0.000 0.448 217 R N -0.661 119.711 120.500 -0.213 0.000 2.075 217 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 217 R C 2.087 178.226 176.300 -0.267 0.000 1.114 217 R CA 1.300 57.254 56.100 -0.244 0.000 0.972 217 R CB -0.335 29.853 30.300 -0.186 0.000 0.869 217 R HN 0.653 nan 8.270 nan 0.000 0.437 218 E N 1.140 121.140 120.200 -0.333 0.000 2.118 218 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 218 E C 1.940 178.337 176.600 -0.338 0.000 0.992 218 E CA 1.401 57.539 56.400 -0.437 0.000 0.804 218 E CB -0.219 28.950 29.700 -0.884 0.000 0.741 218 E HN 0.476 nan 8.360 nan 0.000 0.458 219 I N -0.517 119.775 120.570 -0.463 0.000 3.334 219 I HA -0.039 4.131 4.170 -0.000 0.000 0.282 219 I C 1.894 177.871 176.117 -0.234 0.000 1.313 219 I CA 1.108 62.172 61.300 -0.393 0.000 1.396 219 I CB -0.429 37.254 38.000 -0.529 0.000 1.054 219 I HN -0.063 nan 8.210 nan 0.000 0.495 220 T N -1.985 112.447 114.554 -0.203 0.000 3.129 220 T HA 0.222 4.572 4.350 -0.000 0.000 0.251 220 T C 0.425 175.067 174.700 -0.098 0.000 1.117 220 T CA -0.146 61.868 62.100 -0.144 0.000 1.034 220 T CB -0.386 68.381 68.868 -0.167 0.000 0.968 220 T HN 0.542 nan 8.240 nan 0.000 0.526 221 E N 1.695 121.850 120.200 -0.076 0.000 2.179 221 E HA 0.294 4.644 4.350 -0.000 0.000 0.275 221 E C -2.053 174.505 176.600 -0.071 0.000 0.945 221 E CA -2.808 53.576 56.400 -0.027 0.000 0.792 221 E CB 2.036 31.780 29.700 0.075 0.000 1.125 221 E HN -0.041 nan 8.360 nan 0.000 0.397 222 P HA -0.280 nan 4.420 nan 0.000 0.216 222 P C 1.307 178.478 177.300 -0.215 0.000 1.150 222 P CA 1.320 64.348 63.100 -0.120 0.000 0.843 222 P CB 0.238 31.893 31.700 -0.076 0.000 0.787 223 Q N -1.551 118.107 119.800 -0.236 0.000 2.234 223 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 223 Q C 0.998 176.546 176.000 -0.753 0.000 0.980 223 Q CA 1.446 56.990 55.803 -0.432 0.000 0.869 223 Q CB -0.308 28.142 28.738 -0.479 0.000 0.912 223 Q HN 0.251 nan 8.270 nan 0.000 0.436 224 F N -2.032 117.634 119.950 -0.473 0.000 2.746 224 F HA 0.382 4.909 4.527 -0.000 0.000 0.313 224 F C 1.590 176.740 175.800 -1.084 0.000 1.095 224 F CA 0.207 57.791 58.000 -0.692 0.000 1.224 224 F CB 0.637 39.428 39.000 -0.348 0.000 1.060 224 F HN 0.086 nan 8.300 nan 0.000 0.584 225 A N -1.457 120.940 122.820 -0.706 0.000 2.252 225 A HA 0.163 4.482 4.320 -0.000 0.000 0.213 225 A C 0.264 177.618 177.584 -0.383 0.000 1.188 225 A CA -0.089 51.649 52.037 -0.498 0.000 0.863 225 A CB -0.877 17.981 19.000 -0.238 0.000 0.893 225 A HN 0.444 nan 8.150 nan 0.000 0.495 226 Y N -1.317 118.949 120.300 -0.057 0.000 3.225 226 Y HA -0.258 4.292 4.550 -0.000 0.000 0.211 226 Y C 1.498 177.459 175.900 0.102 0.000 1.223 226 Y CA 0.530 58.618 58.100 -0.019 0.000 1.284 226 Y CB -1.927 36.503 38.460 -0.051 0.000 1.367 226 Y HN 0.981 nan 8.280 nan 0.000 0.566 227 G N -2.104 106.792 108.800 0.160 0.000 2.253 227 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.209 227 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.209 227 G C 0.612 175.646 174.900 0.223 0.000 0.997 227 G CA 0.120 45.373 45.100 0.256 0.000 0.640 227 G HN 0.301 nan 8.290 nan 0.000 0.496 228 M N 1.686 121.321 119.600 0.058 0.000 2.561 228 M HA 0.124 4.604 4.480 -0.000 0.000 0.238 228 M C 2.279 178.553 176.300 -0.043 0.000 1.131 228 M CA 1.332 56.608 55.300 -0.041 0.000 1.046 228 M CB -0.354 32.162 32.600 -0.141 0.000 1.532 228 M HN 0.596 nan 8.290 nan 0.000 0.497 229 E N 0.769 120.944 120.200 -0.041 0.000 2.153 229 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 229 E C 1.856 178.433 176.600 -0.039 0.000 0.988 229 E CA 1.772 58.137 56.400 -0.059 0.000 0.811 229 E CB -0.883 28.777 29.700 -0.066 0.000 0.746 229 E HN 0.433 nan 8.360 nan 0.000 0.466 230 G N 2.286 111.074 108.800 -0.021 0.000 2.446 230 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 230 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 230 G C 1.683 176.571 174.900 -0.020 0.000 1.168 230 G CA 0.905 45.994 45.100 -0.018 0.000 0.771 230 G HN 0.269 nan 8.290 nan 0.000 0.551 231 L N -0.188 121.020 121.223 -0.025 0.000 2.017 231 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 231 L C 2.883 179.734 176.870 -0.031 0.000 1.073 231 L CA 1.107 55.933 54.840 -0.023 0.000 0.745 231 L CB -0.175 41.869 42.059 -0.025 0.000 0.894 231 L HN 0.232 nan 8.230 nan 0.000 0.432 232 L N -0.803 120.395 121.223 -0.041 0.000 2.156 232 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 232 L C 2.614 179.473 176.870 -0.018 0.000 1.095 232 L CA 1.021 55.834 54.840 -0.046 0.000 0.770 232 L CB -0.348 41.665 42.059 -0.077 0.000 0.914 232 L HN 0.326 nan 8.230 nan 0.000 0.439 233 Q N -0.532 119.260 119.800 -0.013 0.000 2.084 233 Q HA -0.288 4.052 4.340 -0.000 0.000 0.202 233 Q C 2.223 178.248 176.000 0.041 0.000 0.978 233 Q CA 1.689 57.507 55.803 0.024 0.000 0.844 233 Q CB -0.166 28.577 28.738 0.008 0.000 0.898 233 Q HN 0.486 nan 8.270 nan 0.000 0.426 234 Q N 0.343 120.148 119.800 0.008 0.000 2.050 234 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 234 Q C 2.017 178.004 176.000 -0.022 0.000 0.980 234 Q CA 1.039 56.840 55.803 -0.004 0.000 0.840 234 Q CB 0.175 28.910 28.738 -0.005 0.000 0.898 234 Q HN 0.182 nan 8.270 nan 0.000 0.424 235 R N -0.293 120.188 120.500 -0.031 0.000 2.092 235 R HA -0.136 4.204 4.340 -0.000 0.000 0.231 235 R C 2.241 178.522 176.300 -0.032 0.000 1.119 235 R CA 1.392 57.456 56.100 -0.060 0.000 0.970 235 R CB -1.026 29.221 30.300 -0.088 0.000 0.864 235 R HN 0.571 nan 8.270 nan 0.000 0.440 236 H N 1.252 120.272 119.070 -0.083 0.000 2.290 236 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 236 H C 1.859 177.158 175.328 -0.049 0.000 1.087 236 H CA 1.706 57.713 56.048 -0.069 0.000 1.291 236 H CB 0.229 29.954 29.762 -0.061 0.000 1.369 236 H HN 0.079 nan 8.280 nan 0.000 0.492 237 R N 0.310 120.709 120.500 -0.168 0.000 2.127 237 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 237 R C 2.088 178.296 176.300 -0.155 0.000 1.134 237 R CA 1.657 57.639 56.100 -0.197 0.000 0.975 237 R CB -0.096 30.155 30.300 -0.081 0.000 0.865 237 R HN 0.589 nan 8.270 nan 0.000 0.447 238 E N -0.566 119.568 120.200 -0.109 0.000 2.511 238 E HA 0.027 4.376 4.350 -0.000 0.000 0.196 238 E C 0.693 177.249 176.600 -0.073 0.000 1.066 238 E CA 0.337 56.688 56.400 -0.081 0.000 0.871 238 E CB 0.347 30.005 29.700 -0.070 0.000 0.863 238 E HN 0.508 nan 8.360 nan 0.000 0.520 239 G N 1.992 110.730 108.800 -0.104 0.000 2.198 239 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 239 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 239 G C 0.559 175.466 174.900 0.011 0.000 1.042 239 G CA 0.270 45.341 45.100 -0.047 0.000 0.791 239 G HN 0.268 nan 8.290 nan 0.000 0.502 240 R N -1.340 119.099 120.500 -0.102 0.000 2.577 240 R HA 0.463 4.803 4.340 -0.000 0.000 0.344 240 R C -0.008 175.885 176.300 -0.677 0.000 1.037 240 R CA -0.266 55.646 56.100 -0.312 0.000 1.102 240 R CB 0.702 30.894 30.300 -0.179 0.000 1.313 240 R HN 0.333 nan 8.270 nan 0.000 0.561 241 L N 0.625 121.637 121.223 -0.352 0.000 2.409 241 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 241 L C -0.837 176.034 176.870 0.001 0.000 0.980 241 L CA -0.290 54.425 54.840 -0.208 0.000 0.826 241 L CB 2.002 44.030 42.059 -0.051 0.000 1.268 241 L HN 0.096 nan 8.230 nan 0.000 0.407 242 S N 2.253 118.004 115.700 0.085 0.000 2.638 242 S HA 0.965 5.435 4.470 -0.000 0.000 0.274 242 S C -0.534 174.118 174.600 0.085 0.000 1.157 242 S CA -0.331 57.949 58.200 0.133 0.000 0.826 242 S CB 1.395 64.723 63.200 0.213 0.000 1.139 242 S HN 0.979 nan 8.310 nan 0.000 0.474 243 G N -0.103 108.722 108.800 0.041 0.000 2.470 243 G HA2 0.627 4.586 3.960 -0.000 0.000 0.320 243 G HA3 0.627 4.586 3.960 -0.000 0.000 0.320 243 G C -1.502 173.385 174.900 -0.021 0.000 1.245 243 G CA -0.832 44.281 45.100 0.022 0.000 0.935 243 G HN 0.929 nan 8.290 nan 0.000 0.476 244 V N 3.377 123.273 119.914 -0.030 0.000 2.482 244 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 244 V C -0.284 175.792 176.094 -0.030 0.000 1.026 244 V CA -0.807 61.423 62.300 -0.116 0.000 0.856 244 V CB 1.469 33.048 31.823 -0.407 0.000 1.001 244 V HN 0.731 nan 8.190 nan 0.000 0.424 245 L N 5.110 126.303 121.223 -0.049 0.000 2.453 245 L HA 0.298 4.638 4.340 -0.000 0.000 0.272 245 L C 0.699 177.508 176.870 -0.102 0.000 1.182 245 L CA 0.745 55.552 54.840 -0.056 0.000 0.858 245 L CB 0.267 42.296 42.059 -0.050 0.000 1.120 245 L HN 0.691 nan 8.230 nan 0.000 0.474 246 N N 1.769 120.382 118.700 -0.144 0.000 2.381 246 N HA 0.346 5.086 4.740 -0.000 0.000 0.241 246 N C 0.070 175.087 175.510 -0.821 0.000 1.279 246 N CA 0.337 53.148 53.050 -0.398 0.000 0.896 246 N CB 0.439 38.854 38.487 -0.119 0.000 1.118 246 N HN 0.792 nan 8.380 nan 0.000 0.438 247 G N -0.714 106.913 108.800 -1.954 0.000 2.613 247 G HA2 0.514 4.474 3.960 -0.000 0.000 0.303 247 G HA3 0.514 4.474 3.960 -0.000 0.000 0.303 247 G C -0.877 173.540 174.900 -0.806 0.000 1.312 247 G CA -0.520 43.731 45.100 -1.414 0.000 1.036 247 G HN 0.453 nan 8.290 nan 0.000 0.513 248 V N -1.367 118.393 119.914 -0.256 0.000 2.628 248 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 248 V C -1.015 175.313 176.094 0.391 0.000 1.045 248 V CA -1.004 61.423 62.300 0.211 0.000 0.905 248 V CB 1.909 33.918 31.823 0.310 0.000 0.997 248 V HN 0.570 nan 8.190 nan 0.000 0.436 249 D N 4.542 125.265 120.400 0.538 0.000 2.359 249 D HA 0.102 4.742 4.640 -0.000 0.000 0.250 249 D C 1.292 177.787 176.300 0.326 0.000 1.264 249 D CA 0.151 54.423 54.000 0.453 0.000 0.911 249 D CB 1.354 42.379 40.800 0.375 0.000 1.056 249 D HN 0.886 nan 8.370 nan 0.000 0.499 250 E N 4.404 124.757 120.200 0.255 0.000 2.268 250 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 250 E C 0.741 177.412 176.600 0.118 0.000 0.995 250 E CA 0.793 57.297 56.400 0.173 0.000 0.836 250 E CB -0.082 29.694 29.700 0.127 0.000 0.763 250 E HN 0.473 nan 8.360 nan 0.000 0.491 251 K N 0.355 120.827 120.400 0.121 0.000 2.209 251 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 251 K C 2.196 178.819 176.600 0.038 0.000 1.048 251 K CA 1.597 57.928 56.287 0.074 0.000 0.940 251 K CB -0.118 32.434 32.500 0.088 0.000 0.729 251 K HN 0.315 nan 8.250 nan 0.000 0.451 252 I N -3.496 117.096 120.570 0.036 0.000 4.124 252 I HA 0.096 4.266 4.170 -0.000 0.000 0.311 252 I C -0.305 175.646 176.117 -0.277 0.000 1.259 252 I CA -0.097 61.124 61.300 -0.132 0.000 1.315 252 I CB 0.570 38.477 38.000 -0.156 0.000 1.223 252 I HN -0.039 nan 8.210 nan 0.000 0.441 253 W N 2.589 123.906 121.300 0.028 0.000 2.227 253 W HA 0.670 5.330 4.660 0.001 0.000 0.308 253 W C -0.392 176.199 176.519 0.120 0.000 0.882 253 W CA -0.499 56.879 57.345 0.054 0.000 1.707 253 W CB 0.955 30.201 29.460 -0.356 0.000 1.782 253 W HN -0.116 nan 8.180 nan 0.000 0.385 254 S N 2.189 117.971 115.700 0.136 0.000 2.677 254 S HA 0.223 4.692 4.470 -0.000 0.000 0.283 254 S C -1.718 172.604 174.600 -0.464 0.000 1.159 254 S CA -0.939 57.144 58.200 -0.195 0.000 1.001 254 S CB 2.477 65.616 63.200 -0.101 0.000 1.032 254 S HN 0.091 nan 8.310 nan 0.000 0.487 255 P HA -0.055 nan 4.420 nan 0.000 0.226 255 P C 0.612 177.557 177.300 -0.592 0.000 1.153 255 P CA 0.939 63.449 63.100 -0.984 0.000 0.777 255 P CB 0.299 30.976 31.700 -1.706 0.000 0.794 256 E N -0.055 119.891 120.200 -0.423 0.000 2.150 256 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 256 E C 1.656 178.166 176.600 -0.149 0.000 0.985 256 E CA 2.016 58.272 56.400 -0.241 0.000 0.814 256 E CB -0.741 28.858 29.700 -0.169 0.000 0.752 256 E HN 0.408 nan 8.360 nan 0.000 0.466 257 T N -3.043 111.430 114.554 -0.135 0.000 3.058 257 T HA 0.080 4.430 4.350 -0.000 0.000 0.278 257 T C 0.241 174.903 174.700 -0.064 0.000 0.974 257 T CA -0.479 61.574 62.100 -0.078 0.000 0.893 257 T CB 0.112 68.946 68.868 -0.057 0.000 1.138 257 T HN -0.172 nan 8.240 nan 0.000 0.529 258 D N 2.110 122.469 120.400 -0.068 0.000 2.368 258 D HA 0.078 4.718 4.640 -0.000 0.000 0.268 258 D C 0.856 177.139 176.300 -0.028 0.000 1.298 258 D CA -0.539 53.445 54.000 -0.027 0.000 0.938 258 D CB 0.640 41.493 40.800 0.088 0.000 1.101 258 D HN 0.028 nan 8.370 nan 0.000 0.509 259 L N 4.146 125.332 121.223 -0.062 0.000 2.465 259 L HA -0.000 4.339 4.340 -0.000 0.000 0.224 259 L C 1.903 178.743 176.870 -0.050 0.000 1.145 259 L CA 0.791 55.601 54.840 -0.050 0.000 0.834 259 L CB -0.429 41.595 42.059 -0.059 0.000 0.944 259 L HN 0.567 nan 8.230 nan 0.000 0.451 260 L N -1.463 119.710 121.223 -0.084 0.000 2.591 260 L HA 0.019 4.359 4.340 -0.000 0.000 0.228 260 L C 0.191 177.077 176.870 0.027 0.000 1.133 260 L CA -0.280 54.517 54.840 -0.072 0.000 0.880 260 L CB -0.025 41.904 42.059 -0.217 0.000 1.033 260 L HN 0.048 nan 8.230 nan 0.000 0.450 261 L N -0.666 120.595 121.223 0.062 0.000 2.357 261 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 261 L C 1.312 178.239 176.870 0.095 0.000 1.080 261 L CA 0.301 55.212 54.840 0.120 0.000 0.803 261 L CB 1.214 43.379 42.059 0.176 0.000 1.174 261 L HN -0.090 nan 8.230 nan 0.000 0.443 262 A N 1.762 124.645 122.820 0.104 0.000 1.933 262 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 262 A C 1.033 178.668 177.584 0.085 0.000 1.175 262 A CA 1.611 53.697 52.037 0.082 0.000 0.628 262 A CB -0.163 18.884 19.000 0.078 0.000 0.814 262 A HN 0.572 nan 8.150 nan 0.000 0.444 263 S N -1.205 114.569 115.700 0.123 0.000 2.677 263 S HA 0.556 5.026 4.470 -0.000 0.000 0.283 263 S C -0.570 174.160 174.600 0.215 0.000 1.159 263 S CA -0.769 57.512 58.200 0.135 0.000 1.001 263 S CB 0.747 64.016 63.200 0.115 0.000 1.032 263 S HN 0.451 nan 8.310 nan 0.000 0.487 264 R N 2.284 122.868 120.500 0.141 0.000 2.679 264 R HA 0.583 4.923 4.340 -0.000 0.000 0.269 264 R C -0.672 175.739 176.300 0.185 0.000 1.076 264 R CA -0.043 56.112 56.100 0.091 0.000 1.160 264 R CB 0.463 30.763 30.300 -0.000 0.000 1.054 264 R HN 0.729 nan 8.270 nan 0.000 0.507 265 Y N -2.999 117.291 120.300 -0.016 0.000 2.713 265 Y HA 0.591 5.141 4.550 -0.001 0.000 0.335 265 Y C -0.938 174.937 175.900 -0.041 0.000 1.222 265 Y CA -1.218 56.873 58.100 -0.016 0.000 1.061 265 Y CB 1.233 39.697 38.460 0.006 0.000 1.314 265 Y HN 0.696 nan 8.280 nan 0.000 0.453 266 T N -2.199 112.425 114.554 0.117 0.000 2.838 266 T HA 0.365 4.715 4.350 -0.000 0.000 0.292 266 T C 0.417 175.178 174.700 0.100 0.000 1.113 266 T CA -0.775 61.332 62.100 0.012 0.000 1.008 266 T CB 2.132 70.996 68.868 -0.006 0.000 1.259 266 T HN 1.023 nan 8.240 nan 0.000 0.520 267 R N -0.117 120.405 120.500 0.036 0.000 2.159 267 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 267 R C 0.591 176.919 176.300 0.048 0.000 1.131 267 R CA 1.928 58.055 56.100 0.044 0.000 0.982 267 R CB -0.279 30.020 30.300 -0.002 0.000 0.868 267 R HN 0.650 nan 8.270 nan 0.000 0.453 268 D N -0.834 119.591 120.400 0.040 0.000 2.369 268 D HA 0.005 4.644 4.640 -0.000 0.000 0.211 268 D C 0.137 176.464 176.300 0.046 0.000 1.077 268 D CA 0.691 54.712 54.000 0.035 0.000 0.842 268 D CB 1.153 41.965 40.800 0.020 0.000 0.947 268 D HN 0.307 nan 8.370 nan 0.000 0.509 269 T N -1.776 112.822 114.554 0.072 0.000 3.697 269 T HA 0.284 4.634 4.350 -0.000 0.000 0.260 269 T C 1.348 176.106 174.700 0.096 0.000 0.998 269 T CA -0.318 61.826 62.100 0.074 0.000 1.128 269 T CB -0.555 68.358 68.868 0.075 0.000 1.082 269 T HN -0.105 nan 8.240 nan 0.000 0.541 270 L N 1.450 122.720 121.223 0.080 0.000 2.353 270 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 270 L C 2.968 179.809 176.870 -0.049 0.000 1.133 270 L CA 1.193 56.053 54.840 0.034 0.000 0.798 270 L CB -0.274 41.817 42.059 0.054 0.000 0.922 270 L HN 0.540 nan 8.230 nan 0.000 0.445 271 E N -0.322 119.870 120.200 -0.014 0.000 2.209 271 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 271 E C 0.826 177.402 176.600 -0.039 0.000 0.993 271 E CA 1.528 57.911 56.400 -0.028 0.000 0.819 271 E CB -0.428 29.266 29.700 -0.009 0.000 0.745 271 E HN 0.464 nan 8.360 nan 0.000 0.477 272 D N 1.090 121.481 120.400 -0.015 0.000 2.371 272 D HA -0.043 4.597 4.640 -0.000 0.000 0.221 272 D C 1.600 177.852 176.300 -0.080 0.000 0.986 272 D CA 0.579 54.584 54.000 0.010 0.000 0.899 272 D CB -0.055 40.807 40.800 0.103 0.000 0.902 272 D HN 0.341 nan 8.370 nan 0.000 0.530 273 K N 0.571 120.778 120.400 -0.322 0.000 2.305 273 K HA 0.052 4.372 4.320 -0.000 0.000 0.199 273 K C 1.876 178.345 176.600 -0.219 0.000 1.047 273 K CA 0.510 56.450 56.287 -0.577 0.000 0.976 273 K CB 0.192 32.115 32.500 -0.961 0.000 0.765 273 K HN -0.033 nan 8.250 nan 0.000 0.474 274 A N 1.436 124.180 122.820 -0.126 0.000 1.917 274 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 274 A C 1.946 179.517 177.584 -0.023 0.000 1.182 274 A CA 2.054 54.057 52.037 -0.056 0.000 0.633 274 A CB -0.573 18.405 19.000 -0.038 0.000 0.819 274 A HN 0.478 nan 8.150 nan 0.000 0.448 275 E N 0.826 121.020 120.200 -0.011 0.000 2.153 275 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 275 E C 1.684 178.302 176.600 0.030 0.000 0.988 275 E CA 1.629 58.038 56.400 0.016 0.000 0.811 275 E CB -0.295 29.421 29.700 0.027 0.000 0.746 275 E HN 0.622 nan 8.360 nan 0.000 0.466 276 N N 0.451 119.171 118.700 0.032 0.000 2.188 276 N HA -0.162 4.577 4.740 -0.000 0.000 0.184 276 N C 1.590 177.128 175.510 0.047 0.000 1.018 276 N CA 1.234 54.321 53.050 0.062 0.000 0.858 276 N CB -0.282 38.266 38.487 0.101 0.000 0.989 276 N HN 0.257 nan 8.380 nan 0.000 0.426 277 K N 1.427 121.839 120.400 0.020 0.000 2.025 277 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 277 K C 2.180 178.796 176.600 0.027 0.000 1.049 277 K CA 0.727 57.025 56.287 0.018 0.000 0.933 277 K CB 0.115 32.619 32.500 0.007 0.000 0.714 277 K HN -0.012 nan 8.250 nan 0.000 0.438 278 R N 0.711 121.227 120.500 0.026 0.000 2.080 278 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 278 R C 2.255 178.579 176.300 0.039 0.000 1.137 278 R CA 2.064 58.181 56.100 0.029 0.000 0.943 278 R CB -0.133 30.182 30.300 0.024 0.000 0.846 278 R HN 0.381 nan 8.270 nan 0.000 0.431 279 Q N 0.052 119.880 119.800 0.047 0.000 2.224 279 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 279 Q C 2.074 178.124 176.000 0.082 0.000 0.970 279 Q CA 0.952 56.791 55.803 0.060 0.000 0.865 279 Q CB -0.029 28.748 28.738 0.065 0.000 0.922 279 Q HN 0.256 nan 8.270 nan 0.000 0.445 280 L N 0.807 122.080 121.223 0.083 0.000 2.072 280 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 280 L C 2.075 179.002 176.870 0.095 0.000 1.079 280 L CA 1.747 56.651 54.840 0.105 0.000 0.752 280 L CB -0.380 41.715 42.059 0.060 0.000 0.906 280 L HN 0.114 nan 8.230 nan 0.000 0.436 281 Q N -0.438 119.399 119.800 0.062 0.000 2.030 281 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 281 Q C 2.279 178.313 176.000 0.055 0.000 0.986 281 Q CA 2.350 58.184 55.803 0.052 0.000 0.843 281 Q CB -0.277 28.483 28.738 0.036 0.000 0.904 281 Q HN 0.562 nan 8.270 nan 0.000 0.420 282 I N 0.565 121.165 120.570 0.050 0.000 2.163 282 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 282 I C 2.422 178.565 176.117 0.043 0.000 1.085 282 I CA 1.144 62.469 61.300 0.041 0.000 1.347 282 I CB -0.443 37.577 38.000 0.035 0.000 1.044 282 I HN 0.195 nan 8.210 nan 0.000 0.408 283 A N 0.262 123.120 122.820 0.063 0.000 1.933 283 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 283 A C 2.208 179.823 177.584 0.052 0.000 1.175 283 A CA 1.517 53.586 52.037 0.053 0.000 0.628 283 A CB -0.352 18.716 19.000 0.112 0.000 0.814 283 A HN 0.339 nan 8.150 nan 0.000 0.444 284 M N -1.544 118.116 119.600 0.100 0.000 2.561 284 M HA 0.152 4.631 4.480 -0.000 0.000 0.238 284 M C 1.434 177.772 176.300 0.064 0.000 1.131 284 M CA 0.849 56.210 55.300 0.102 0.000 1.046 284 M CB -0.784 31.897 32.600 0.135 0.000 1.532 284 M HN 0.772 nan 8.290 nan 0.000 0.497 285 G N 1.709 110.538 108.800 0.048 0.000 2.147 285 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 285 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 285 G C 0.042 174.969 174.900 0.046 0.000 1.005 285 G CA -0.040 45.084 45.100 0.039 0.000 0.713 285 G HN 0.427 nan 8.290 nan 0.000 0.515 286 L N -0.398 120.855 121.223 0.050 0.000 2.421 286 L HA 0.444 4.784 4.340 -0.000 0.000 0.263 286 L C 1.175 178.068 176.870 0.039 0.000 1.122 286 L CA -0.915 53.953 54.840 0.047 0.000 0.804 286 L CB 0.826 42.912 42.059 0.047 0.000 1.150 286 L HN 0.174 nan 8.230 nan 0.000 0.457 287 K N 0.978 121.400 120.400 0.037 0.000 2.484 287 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 287 K C -0.835 175.783 176.600 0.029 0.000 1.013 287 K CA -0.328 55.978 56.287 0.032 0.000 1.029 287 K CB 0.614 33.133 32.500 0.032 0.000 0.902 287 K HN 0.317 nan 8.250 nan 0.000 0.481 288 V N 5.333 125.263 119.914 0.028 0.000 2.387 288 V HA 0.099 4.219 4.120 -0.000 0.000 0.260 288 V C -0.264 175.846 176.094 0.027 0.000 1.054 288 V CA 0.125 62.441 62.300 0.027 0.000 0.967 288 V CB 0.542 32.380 31.823 0.025 0.000 1.036 288 V HN 0.828 nan 8.190 nan 0.000 0.481 289 D N 3.414 123.831 120.400 0.029 0.000 2.688 289 D HA 0.151 4.791 4.640 -0.000 0.000 0.210 289 D C 0.114 176.443 176.300 0.048 0.000 1.333 289 D CA -0.468 53.554 54.000 0.036 0.000 0.920 289 D CB 1.907 42.729 40.800 0.038 0.000 1.554 289 D HN 0.566 nan 8.370 nan 0.000 0.579 290 D N 2.222 122.655 120.400 0.054 0.000 2.340 290 D HA -0.031 4.609 4.640 -0.000 0.000 0.220 290 D C 0.830 177.216 176.300 0.143 0.000 1.039 290 D CA 0.169 54.215 54.000 0.077 0.000 0.866 290 D CB 0.424 41.246 40.800 0.037 0.000 0.913 290 D HN 0.105 nan 8.370 nan 0.000 0.523 291 K N 0.158 120.643 120.400 0.141 0.000 2.400 291 K HA 0.185 4.505 4.320 -0.000 0.000 0.194 291 K C 0.175 177.003 176.600 0.381 0.000 1.033 291 K CA -0.035 56.373 56.287 0.202 0.000 1.021 291 K CB 1.057 33.628 32.500 0.118 0.000 0.808 291 K HN 0.118 nan 8.250 nan 0.000 0.505 292 V N 4.171 124.216 119.914 0.219 0.000 2.513 292 V HA 0.242 4.362 4.120 -0.000 0.000 0.299 292 V C -2.421 173.434 176.094 -0.398 0.000 1.035 292 V CA -2.259 60.045 62.300 0.006 0.000 0.889 292 V CB 2.147 33.975 31.823 0.008 0.000 0.988 292 V HN 0.002 nan 8.190 nan 0.000 0.440 293 P HA 0.200 nan 4.420 nan 0.000 0.281 293 P C -0.988 175.894 177.300 -0.696 0.000 1.252 293 P CA -0.373 61.814 63.100 -1.522 0.000 0.778 293 P CB 1.329 31.822 31.700 -2.012 0.000 0.895 294 L N 5.452 126.333 121.223 -0.570 0.000 2.276 294 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 294 L C -0.986 175.716 176.870 -0.280 0.000 1.024 294 L CA -0.674 54.014 54.840 -0.253 0.000 0.826 294 L CB -0.423 41.548 42.059 -0.147 0.000 1.211 294 L HN 0.129 nan 8.230 nan 0.000 0.422 295 F N 3.927 123.771 119.950 -0.177 0.000 2.375 295 F HA 0.745 5.272 4.527 -0.000 0.000 0.333 295 F C 0.763 176.508 175.800 -0.091 0.000 1.104 295 F CA 0.071 57.996 58.000 -0.125 0.000 1.149 295 F CB 1.474 40.397 39.000 -0.128 0.000 1.190 295 F HN 0.646 nan 8.300 nan 0.000 0.533 296 A N 1.467 124.343 122.820 0.093 0.000 2.556 296 A HA 0.871 5.191 4.320 -0.000 0.000 0.294 296 A C -1.701 175.870 177.584 -0.021 0.000 1.091 296 A CA -0.710 51.328 52.037 0.002 0.000 0.704 296 A CB 1.708 20.677 19.000 -0.052 0.000 1.300 296 A HN 0.493 nan 8.150 nan 0.000 0.406 297 V N 0.726 120.591 119.914 -0.082 0.000 2.686 297 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 297 V C -0.992 175.022 176.094 -0.133 0.000 1.065 297 V CA -0.470 61.763 62.300 -0.111 0.000 0.894 297 V CB 1.894 33.613 31.823 -0.172 0.000 1.004 297 V HN 0.754 nan 8.190 nan 0.000 0.424 298 V N 3.447 123.286 119.914 -0.124 0.000 2.419 298 V HA 0.777 4.897 4.120 -0.000 0.000 0.287 298 V C -0.322 175.709 176.094 -0.105 0.000 1.017 298 V CA -0.093 62.134 62.300 -0.121 0.000 0.844 298 V CB 1.491 33.236 31.823 -0.129 0.000 1.011 298 V HN 0.898 nan 8.190 nan 0.000 0.429 299 S N 4.396 120.047 115.700 -0.082 0.000 2.543 299 S HA 0.538 5.007 4.470 -0.000 0.000 0.274 299 S C -0.658 173.936 174.600 -0.010 0.000 1.149 299 S CA -0.890 57.277 58.200 -0.055 0.000 0.866 299 S CB 1.578 64.739 63.200 -0.066 0.000 1.111 299 S HN 0.707 nan 8.310 nan 0.000 0.457 300 R N 1.577 122.090 120.500 0.021 0.000 2.640 300 R HA 0.182 4.522 4.340 -0.000 0.000 0.270 300 R C -0.704 175.621 176.300 0.042 0.000 1.024 300 R CA -0.177 55.955 56.100 0.054 0.000 1.085 300 R CB 0.069 30.407 30.300 0.065 0.000 0.963 300 R HN 0.321 nan 8.270 nan 0.000 0.426 301 L N 3.503 124.764 121.223 0.063 0.000 2.407 301 L HA 0.185 4.524 4.340 -0.000 0.000 0.261 301 L C 0.294 177.210 176.870 0.077 0.000 1.108 301 L CA 0.329 55.216 54.840 0.078 0.000 0.995 301 L CB 0.066 42.187 42.059 0.103 0.000 1.349 301 L HN 0.751 nan 8.230 nan 0.000 0.423 302 T N -3.470 111.124 114.554 0.066 0.000 2.887 302 T HA 0.379 4.729 4.350 -0.000 0.000 0.292 302 T C 1.169 175.900 174.700 0.052 0.000 1.087 302 T CA 0.005 62.143 62.100 0.065 0.000 1.009 302 T CB 1.446 70.365 68.868 0.085 0.000 1.203 302 T HN 0.252 nan 8.240 nan 0.000 0.518 303 S N -0.032 115.702 115.700 0.056 0.000 2.419 303 S HA -0.247 4.223 4.470 -0.000 0.000 0.233 303 S C 1.913 176.548 174.600 0.059 0.000 1.016 303 S CA 1.301 59.540 58.200 0.065 0.000 0.974 303 S CB -0.877 62.365 63.200 0.070 0.000 0.786 303 S HN 0.852 nan 8.310 nan 0.000 0.492 304 Q N 1.358 121.163 119.800 0.009 0.000 2.173 304 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 304 Q C 1.232 177.110 176.000 -0.203 0.000 0.989 304 Q CA 1.390 57.053 55.803 -0.235 0.000 0.872 304 Q CB -0.082 28.323 28.738 -0.556 0.000 0.909 304 Q HN 0.385 nan 8.270 nan 0.000 0.420 305 K N -0.831 119.516 120.400 -0.088 0.000 2.444 305 K HA 0.096 4.416 4.320 -0.000 0.000 0.193 305 K C 0.955 177.571 176.600 0.027 0.000 1.024 305 K CA 0.756 57.012 56.287 -0.053 0.000 1.077 305 K CB 0.377 32.857 32.500 -0.034 0.000 0.833 305 K HN 0.428 nan 8.250 nan 0.000 0.517 306 G N 2.154 110.990 108.800 0.061 0.000 2.225 306 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.267 306 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.267 306 G C 0.686 175.659 174.900 0.122 0.000 1.024 306 G CA 0.404 45.569 45.100 0.108 0.000 0.784 306 G HN 0.339 nan 8.290 nan 0.000 0.507 307 L N 0.350 121.652 121.223 0.131 0.000 2.478 307 L HA 0.063 4.403 4.340 -0.000 0.000 0.223 307 L C 2.621 179.614 176.870 0.205 0.000 1.140 307 L CA 1.014 55.980 54.840 0.210 0.000 0.842 307 L CB -0.289 41.928 42.059 0.263 0.000 0.953 307 L HN 0.476 nan 8.230 nan 0.000 0.452 308 D N 0.775 121.239 120.400 0.107 0.000 2.178 308 D HA -0.218 4.422 4.640 -0.000 0.000 0.201 308 D C 2.056 178.365 176.300 0.015 0.000 0.980 308 D CA 1.137 55.152 54.000 0.024 0.000 0.842 308 D CB -0.362 40.451 40.800 0.022 0.000 0.948 308 D HN 0.357 nan 8.370 nan 0.000 0.472 309 L N 0.435 121.690 121.223 0.052 0.000 2.093 309 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 309 L C 2.803 179.673 176.870 -0.001 0.000 1.085 309 L CA 0.467 55.323 54.840 0.027 0.000 0.755 309 L CB -0.345 41.745 42.059 0.053 0.000 0.904 309 L HN -0.068 nan 8.230 nan 0.000 0.435 310 V N 0.252 120.197 119.914 0.052 0.000 2.343 310 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 310 V C 2.465 178.576 176.094 0.029 0.000 1.051 310 V CA 1.620 63.956 62.300 0.062 0.000 1.036 310 V CB -0.348 31.594 31.823 0.198 0.000 0.654 310 V HN 0.329 nan 8.190 nan 0.000 0.451 311 L N -0.359 120.847 121.223 -0.029 0.000 2.012 311 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 311 L C 2.667 179.474 176.870 -0.105 0.000 1.073 311 L CA 1.899 56.631 54.840 -0.180 0.000 0.748 311 L CB -0.614 41.224 42.059 -0.369 0.000 0.891 311 L HN 0.393 nan 8.230 nan 0.000 0.431 312 E N -0.256 119.899 120.200 -0.075 0.000 2.118 312 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 312 E C 2.022 178.583 176.600 -0.064 0.000 0.992 312 E CA 1.291 57.659 56.400 -0.054 0.000 0.804 312 E CB -0.149 29.533 29.700 -0.030 0.000 0.741 312 E HN 0.526 nan 8.360 nan 0.000 0.458 313 A N 0.609 123.379 122.820 -0.083 0.000 2.218 313 A HA -0.009 4.310 4.320 -0.000 0.000 0.209 313 A C 1.927 179.424 177.584 -0.146 0.000 1.168 313 A CA 0.085 52.049 52.037 -0.121 0.000 0.804 313 A CB -0.121 18.782 19.000 -0.161 0.000 0.834 313 A HN 0.143 nan 8.150 nan 0.000 0.482 314 L N 0.835 121.982 121.223 -0.126 0.000 2.012 314 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 314 L C -0.795 175.938 176.870 -0.227 0.000 1.073 314 L CA 2.426 57.169 54.840 -0.163 0.000 0.748 314 L CB -1.261 40.732 42.059 -0.111 0.000 0.891 314 L HN 0.145 nan 8.230 nan 0.000 0.431 315 P HA -0.122 nan 4.420 nan 0.000 0.215 315 P C 1.655 178.844 177.300 -0.184 0.000 1.157 315 P CA 1.890 64.876 63.100 -0.191 0.000 0.874 315 P CB -0.433 31.220 31.700 -0.077 0.000 0.790 316 G N -0.204 108.499 108.800 -0.162 0.000 2.422 316 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 316 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 316 G C 1.538 176.300 174.900 -0.230 0.000 1.146 316 G CA 0.530 45.523 45.100 -0.177 0.000 0.769 316 G HN 0.274 nan 8.290 nan 0.000 0.547 317 L N -0.055 121.028 121.223 -0.234 0.000 2.027 317 L HA 0.074 4.414 4.340 -0.000 0.000 0.206 317 L C 2.809 179.561 176.870 -0.197 0.000 1.074 317 L CA 0.986 55.687 54.840 -0.232 0.000 0.745 317 L CB -0.163 41.694 42.059 -0.338 0.000 0.898 317 L HN 0.192 nan 8.230 nan 0.000 0.433 318 L N -0.316 120.768 121.223 -0.232 0.000 2.083 318 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 318 L C 2.550 179.306 176.870 -0.190 0.000 1.083 318 L CA 1.605 56.315 54.840 -0.217 0.000 0.752 318 L CB -0.671 41.172 42.059 -0.360 0.000 0.899 318 L HN 0.419 nan 8.230 nan 0.000 0.433 319 E N 0.272 120.347 120.200 -0.209 0.000 2.160 319 E HA -0.261 4.088 4.350 -0.000 0.000 0.195 319 E C 1.995 178.445 176.600 -0.251 0.000 0.991 319 E CA 1.148 57.437 56.400 -0.186 0.000 0.810 319 E CB 0.108 29.709 29.700 -0.164 0.000 0.742 319 E HN 0.560 nan 8.360 nan 0.000 0.466 320 Q N -1.424 118.128 119.800 -0.413 0.000 2.425 320 Q HA 0.099 4.439 4.340 -0.000 0.000 0.204 320 Q C 0.859 176.533 176.000 -0.544 0.000 0.933 320 Q CA 0.488 55.870 55.803 -0.701 0.000 0.939 320 Q CB 0.979 28.842 28.738 -1.459 0.000 1.044 320 Q HN 0.442 nan 8.270 nan 0.000 0.513 321 G N 0.002 108.674 108.800 -0.214 0.000 2.159 321 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.170 321 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.170 321 G C 0.220 175.221 174.900 0.168 0.000 1.007 321 G CA -0.498 44.607 45.100 0.009 0.000 0.672 321 G HN 0.471 nan 8.290 nan 0.000 0.507 322 G N -0.776 108.198 108.800 0.289 0.000 2.528 322 G HA2 0.612 4.572 3.960 -0.000 0.000 0.289 322 G HA3 0.612 4.572 3.960 -0.000 0.000 0.289 322 G C -0.155 174.812 174.900 0.111 0.000 1.192 322 G CA -0.277 45.005 45.100 0.303 0.000 0.921 322 G HN 0.424 nan 8.290 nan 0.000 0.512 323 Q N -1.336 118.530 119.800 0.109 0.000 2.351 323 Q HA 0.622 4.961 4.340 -0.000 0.000 0.273 323 Q C -1.407 174.653 176.000 0.100 0.000 1.077 323 Q CA -0.811 55.029 55.803 0.061 0.000 0.843 323 Q CB 2.733 31.487 28.738 0.028 0.000 1.367 323 Q HN 0.360 nan 8.270 nan 0.000 0.449 324 L N 0.677 121.935 121.223 0.057 0.000 2.385 324 L HA 0.808 5.148 4.340 -0.000 0.000 0.273 324 L C -1.808 175.091 176.870 0.048 0.000 0.990 324 L CA -0.330 54.547 54.840 0.062 0.000 0.821 324 L CB 1.958 44.039 42.059 0.036 0.000 1.279 324 L HN 0.704 nan 8.230 nan 0.000 0.412 325 A N 5.738 128.574 122.820 0.027 0.000 2.335 325 A HA 0.737 5.057 4.320 -0.000 0.000 0.304 325 A C -1.641 175.917 177.584 -0.043 0.000 1.118 325 A CA -0.440 51.603 52.037 0.011 0.000 0.757 325 A CB 1.053 20.055 19.000 0.003 0.000 1.188 325 A HN 0.824 nan 8.150 nan 0.000 0.460 326 L N 3.140 124.330 121.223 -0.056 0.000 2.365 326 L HA 0.842 5.181 4.340 -0.000 0.000 0.273 326 L C -1.631 175.202 176.870 -0.063 0.000 1.000 326 L CA -0.988 53.762 54.840 -0.149 0.000 0.819 326 L CB 1.818 43.654 42.059 -0.371 0.000 1.284 326 L HN 0.699 nan 8.230 nan 0.000 0.418 327 L N 5.004 126.183 121.223 -0.073 0.000 2.381 327 L HA 1.021 5.361 4.340 -0.000 0.000 0.274 327 L C -0.513 176.335 176.870 -0.036 0.000 0.988 327 L CA 0.230 55.080 54.840 0.016 0.000 0.824 327 L CB 1.569 43.653 42.059 0.042 0.000 1.263 327 L HN 0.679 nan 8.230 nan 0.000 0.410 328 G N 2.996 111.799 108.800 0.005 0.000 2.466 328 G HA2 0.788 4.748 3.960 -0.000 0.000 0.291 328 G HA3 0.788 4.748 3.960 -0.000 0.000 0.291 328 G C -2.249 172.686 174.900 0.058 0.000 1.460 328 G CA -0.138 44.964 45.100 0.004 0.000 0.791 328 G HN 1.024 nan 8.290 nan 0.000 0.505 329 A N -0.886 121.981 122.820 0.078 0.000 2.520 329 A HA 1.113 5.433 4.320 -0.000 0.000 0.298 329 A C 0.330 177.968 177.584 0.090 0.000 1.051 329 A CA 0.420 52.515 52.037 0.097 0.000 0.690 329 A CB 1.591 20.665 19.000 0.123 0.000 1.281 329 A HN 2.646 nan 8.150 nan 0.000 0.402 330 G N 0.491 109.338 108.800 0.078 0.000 2.553 330 G HA2 0.319 4.279 3.960 -0.000 0.000 0.106 330 G HA3 0.319 4.279 3.960 -0.000 0.000 0.106 330 G C -1.639 173.290 174.900 0.048 0.000 1.126 330 G CA -0.283 44.855 45.100 0.063 0.000 1.075 330 G HN 0.708 nan 8.290 nan 0.000 0.472 331 D N 2.640 123.070 120.400 0.050 0.000 2.570 331 D HA 0.263 4.903 4.640 -0.000 0.000 0.243 331 D C -1.348 174.980 176.300 0.046 0.000 1.171 331 D CA -0.643 53.379 54.000 0.037 0.000 0.879 331 D CB 1.382 42.208 40.800 0.042 0.000 1.143 331 D HN -0.028 nan 8.370 nan 0.000 0.511 332 P HA -0.171 nan 4.420 nan 0.000 0.217 332 P C 1.505 178.826 177.300 0.035 0.000 1.148 332 P CA 0.579 63.698 63.100 0.031 0.000 0.828 332 P CB 0.301 32.008 31.700 0.012 0.000 0.783 333 V N -0.743 119.186 119.914 0.024 0.000 2.332 333 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 333 V C 2.433 178.538 176.094 0.018 0.000 1.055 333 V CA 1.714 64.022 62.300 0.014 0.000 1.038 333 V CB -1.260 30.566 31.823 0.004 0.000 0.651 333 V HN 0.087 nan 8.190 nan 0.000 0.450 334 L N -0.687 120.570 121.223 0.057 0.000 2.027 334 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 334 L C 2.765 179.761 176.870 0.209 0.000 1.074 334 L CA 1.616 56.527 54.840 0.119 0.000 0.745 334 L CB -0.685 41.492 42.059 0.196 0.000 0.898 334 L HN 0.335 nan 8.230 nan 0.000 0.433 335 Q N -0.224 119.681 119.800 0.174 0.000 2.062 335 Q HA -0.250 4.089 4.340 -0.000 0.000 0.209 335 Q C 2.177 178.266 176.000 0.149 0.000 0.996 335 Q CA 1.676 57.584 55.803 0.175 0.000 0.859 335 Q CB -0.167 28.639 28.738 0.113 0.000 0.920 335 Q HN 0.438 nan 8.270 nan 0.000 0.415 336 E N -0.142 120.108 120.200 0.085 0.000 2.107 336 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 336 E C 2.127 178.743 176.600 0.027 0.000 0.982 336 E CA 1.080 57.511 56.400 0.053 0.000 0.809 336 E CB -0.493 29.224 29.700 0.028 0.000 0.756 336 E HN 0.487 nan 8.360 nan 0.000 0.459 337 G N 0.719 109.505 108.800 -0.023 0.000 2.491 337 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 337 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 337 G C 1.405 176.211 174.900 -0.157 0.000 1.180 337 G CA 0.784 45.801 45.100 -0.138 0.000 0.774 337 G HN 0.167 nan 8.290 nan 0.000 0.562 338 F N 0.504 120.478 119.950 0.041 0.000 2.163 338 F HA 0.165 4.692 4.527 -0.000 0.000 0.297 338 F C 2.679 178.511 175.800 0.054 0.000 1.094 338 F CA 0.505 58.535 58.000 0.050 0.000 1.290 338 F CB -0.494 38.534 39.000 0.048 0.000 1.017 338 F HN 0.004 nan 8.300 nan 0.000 0.483 339 L N -0.400 120.952 121.223 0.214 0.000 2.042 339 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 339 L C 2.701 179.626 176.870 0.091 0.000 1.076 339 L CA 1.312 56.233 54.840 0.134 0.000 0.749 339 L CB -1.009 41.109 42.059 0.099 0.000 0.893 339 L HN 0.162 nan 8.230 nan 0.000 0.432 340 A N -0.232 122.623 122.820 0.059 0.000 1.933 340 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 340 A C 2.500 180.102 177.584 0.030 0.000 1.175 340 A CA 1.745 53.794 52.037 0.021 0.000 0.628 340 A CB -0.647 18.349 19.000 -0.008 0.000 0.814 340 A HN 0.431 nan 8.150 nan 0.000 0.444 341 A N -0.242 122.630 122.820 0.087 0.000 1.930 341 A HA 0.221 4.541 4.320 -0.000 0.000 0.217 341 A C 2.480 180.202 177.584 0.231 0.000 1.175 341 A CA 1.864 54.016 52.037 0.191 0.000 0.627 341 A CB -0.917 18.218 19.000 0.224 0.000 0.815 341 A HN 1.008 nan 8.150 nan 0.000 0.443 342 A N -0.040 122.887 122.820 0.180 0.000 1.902 342 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 342 A C 2.493 180.130 177.584 0.089 0.000 1.181 342 A CA 2.001 54.128 52.037 0.150 0.000 0.623 342 A CB -0.979 18.098 19.000 0.129 0.000 0.818 342 A HN 1.011 nan 8.150 nan 0.000 0.443 343 A N -0.355 122.493 122.820 0.046 0.000 1.902 343 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 343 A C 2.034 179.579 177.584 -0.065 0.000 1.181 343 A CA 1.857 53.893 52.037 -0.002 0.000 0.623 343 A CB -0.532 18.462 19.000 -0.010 0.000 0.818 343 A HN 0.664 nan 8.150 nan 0.000 0.443 344 E N -1.780 118.334 120.200 -0.144 0.000 2.152 344 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 344 E C -0.391 175.885 176.600 -0.540 0.000 0.983 344 E CA 0.699 56.855 56.400 -0.407 0.000 0.818 344 E CB -0.021 29.306 29.700 -0.621 0.000 0.758 344 E HN 0.740 nan 8.360 nan 0.000 0.467 345 Y N 0.799 121.109 120.300 0.016 0.000 2.495 345 Y HA 0.333 4.882 4.550 -0.000 0.000 0.362 345 Y C -2.337 173.576 175.900 0.022 0.000 0.956 345 Y CA -2.712 55.397 58.100 0.016 0.000 1.127 345 Y CB 0.756 39.225 38.460 0.015 0.000 1.173 345 Y HN 0.014 nan 8.280 nan 0.000 0.639 346 P HA 0.097 nan 4.420 nan 0.000 0.268 346 P C 1.057 178.408 177.300 0.085 0.000 1.204 346 P CA 1.288 64.437 63.100 0.083 0.000 0.768 346 P CB 1.499 33.225 31.700 0.044 0.000 0.842 347 G N 2.848 111.692 108.800 0.075 0.000 2.199 347 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 347 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 347 G C 0.793 175.732 174.900 0.066 0.000 0.982 347 G CA 0.405 45.543 45.100 0.063 0.000 0.632 347 G HN 0.563 nan 8.290 nan 0.000 0.529 348 Q N -1.353 118.499 119.800 0.087 0.000 2.404 348 Q HA 0.436 4.776 4.340 -0.000 0.000 0.262 348 Q C 0.217 176.255 176.000 0.063 0.000 0.846 348 Q CA 0.693 56.535 55.803 0.065 0.000 0.978 348 Q CB 1.767 30.539 28.738 0.057 0.000 1.156 348 Q HN 0.397 nan 8.270 nan 0.000 0.548 349 V N 0.766 120.744 119.914 0.106 0.000 2.483 349 V HA 0.663 4.783 4.120 -0.000 0.000 0.297 349 V C -0.282 175.880 176.094 0.113 0.000 1.027 349 V CA -0.800 61.568 62.300 0.114 0.000 0.855 349 V CB 1.531 33.458 31.823 0.173 0.000 0.995 349 V HN 0.199 nan 8.190 nan 0.000 0.424 350 G N 3.196 112.054 108.800 0.097 0.000 2.461 350 G HA2 0.691 4.650 3.960 -0.000 0.000 0.323 350 G HA3 0.691 4.650 3.960 -0.000 0.000 0.323 350 G C -1.435 173.524 174.900 0.099 0.000 1.229 350 G CA -0.551 44.607 45.100 0.097 0.000 0.941 350 G HN 0.553 nan 8.290 nan 0.000 0.477 351 V N 1.471 121.446 119.914 0.102 0.000 2.686 351 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 351 V C -0.824 175.331 176.094 0.101 0.000 1.065 351 V CA -0.755 61.603 62.300 0.096 0.000 0.894 351 V CB 2.028 33.925 31.823 0.124 0.000 1.004 351 V HN 0.792 nan 8.190 nan 0.000 0.424 352 Q N 4.249 124.120 119.800 0.119 0.000 2.303 352 Q HA 0.544 4.884 4.340 -0.000 0.000 0.267 352 Q C -1.500 174.589 176.000 0.149 0.000 1.011 352 Q CA -0.328 55.551 55.803 0.126 0.000 0.740 352 Q CB 1.470 30.304 28.738 0.160 0.000 1.250 352 Q HN 0.599 nan 8.270 nan 0.000 0.458 353 I N 3.651 124.304 120.570 0.138 0.000 2.342 353 I HA 0.845 5.015 4.170 -0.000 0.000 0.291 353 I C 0.783 177.005 176.117 0.176 0.000 1.010 353 I CA 0.375 61.757 61.300 0.137 0.000 1.308 353 I CB 0.421 38.490 38.000 0.115 0.000 1.400 353 I HN 0.795 nan 8.210 nan 0.000 0.488 354 G N 5.888 114.778 108.800 0.150 0.000 2.361 354 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.331 354 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.331 354 G C -2.030 172.870 174.900 0.001 0.000 1.324 354 G CA -0.901 44.250 45.100 0.085 0.000 0.984 354 G HN 0.409 nan 8.290 nan 0.000 0.586 355 Y N 1.834 121.956 120.300 -0.298 0.000 2.353 355 Y HA 0.689 5.239 4.550 -0.000 0.000 0.340 355 Y C 0.009 175.634 175.900 -0.459 0.000 0.972 355 Y CA -0.480 57.486 58.100 -0.225 0.000 1.157 355 Y CB 0.867 39.262 38.460 -0.108 0.000 1.157 355 Y HN 0.523 nan 8.280 nan 0.000 0.495 356 H N 5.395 124.369 119.070 -0.161 0.000 2.917 356 H HA 0.102 4.658 4.556 0.000 0.000 0.279 356 H C 0.600 175.929 175.328 0.002 0.000 1.211 356 H CA -0.334 55.736 56.048 0.038 0.000 1.534 356 H CB 1.510 31.357 29.762 0.141 0.000 1.581 356 H HN 0.787 nan 8.280 nan 0.000 0.510 357 E N 3.387 123.685 120.200 0.162 0.000 2.049 357 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 357 E C 2.062 178.809 176.600 0.245 0.000 1.007 357 E CA 1.915 58.447 56.400 0.220 0.000 0.809 357 E CB 0.184 30.094 29.700 0.350 0.000 0.749 357 E HN 0.695 nan 8.360 nan 0.000 0.450 358 A N -0.236 122.704 122.820 0.200 0.000 1.902 358 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 358 A C 2.175 179.901 177.584 0.236 0.000 1.181 358 A CA 1.426 53.544 52.037 0.136 0.000 0.623 358 A CB -0.933 18.121 19.000 0.089 0.000 0.818 358 A HN 0.454 nan 8.150 nan 0.000 0.443 359 F N 2.160 122.164 119.950 0.090 0.000 2.216 359 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 359 F C 2.731 178.581 175.800 0.082 0.000 1.085 359 F CA 1.391 59.430 58.000 0.064 0.000 1.326 359 F CB -0.513 38.502 39.000 0.024 0.000 1.027 359 F HN 0.347 nan 8.300 nan 0.000 0.497 360 S N -1.045 114.691 115.700 0.061 0.000 2.400 360 S HA -0.252 4.218 4.470 -0.000 0.000 0.232 360 S C 2.078 176.663 174.600 -0.025 0.000 1.025 360 S CA 1.524 59.700 58.200 -0.040 0.000 0.993 360 S CB -1.170 62.075 63.200 0.074 0.000 0.808 360 S HN 0.584 nan 8.310 nan 0.000 0.478 361 H N 1.411 120.450 119.070 -0.052 0.000 2.357 361 H HA 0.107 4.663 4.556 0.000 0.000 0.301 361 H C 2.538 177.826 175.328 -0.067 0.000 1.082 361 H CA 1.502 57.482 56.048 -0.113 0.000 1.342 361 H CB -0.073 29.557 29.762 -0.220 0.000 1.389 361 H HN 0.436 nan 8.280 nan 0.000 0.511 362 R N 0.278 120.818 120.500 0.067 0.000 2.115 362 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 362 R C 2.419 178.667 176.300 -0.086 0.000 1.111 362 R CA 0.827 56.951 56.100 0.041 0.000 0.976 362 R CB -0.023 30.359 30.300 0.137 0.000 0.870 362 R HN 0.284 nan 8.270 nan 0.000 0.445 363 I N 0.069 120.467 120.570 -0.286 0.000 2.163 363 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 363 I C 2.413 178.453 176.117 -0.128 0.000 1.081 363 I CA 0.975 62.106 61.300 -0.280 0.000 1.353 363 I CB -0.144 37.601 38.000 -0.424 0.000 1.054 363 I HN 0.124 nan 8.210 nan 0.000 0.407 364 M N 1.116 120.633 119.600 -0.139 0.000 2.106 364 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 364 M C 1.943 178.254 176.300 0.017 0.000 1.068 364 M CA 1.983 57.191 55.300 -0.154 0.000 1.100 364 M CB -0.898 31.471 32.600 -0.385 0.000 1.351 364 M HN 0.217 nan 8.290 nan 0.000 0.404 365 G N -2.185 106.690 108.800 0.125 0.000 2.650 365 G HA2 0.143 4.103 3.960 -0.000 0.000 0.214 365 G HA3 0.143 4.103 3.960 -0.000 0.000 0.214 365 G C 1.297 176.351 174.900 0.256 0.000 1.136 365 G CA 0.547 45.900 45.100 0.422 0.000 0.789 365 G HN 0.626 nan 8.290 nan 0.000 0.536 366 G N -0.206 108.662 108.800 0.114 0.000 2.728 366 G HA2 0.466 4.426 3.960 -0.000 0.000 0.203 366 G HA3 0.466 4.426 3.960 -0.000 0.000 0.203 366 G C 0.813 175.726 174.900 0.022 0.000 1.073 366 G CA 0.780 45.911 45.100 0.052 0.000 0.778 366 G HN 0.585 nan 8.290 nan 0.000 0.553 367 A N 0.668 123.493 122.820 0.009 0.000 2.386 367 A HA 0.446 4.766 4.320 -0.000 0.000 0.246 367 A C 0.816 178.407 177.584 0.011 0.000 1.089 367 A CA 0.249 52.273 52.037 -0.022 0.000 0.790 367 A CB 0.419 19.394 19.000 -0.042 0.000 1.042 367 A HN 0.148 nan 8.150 nan 0.000 0.497 368 D N -0.761 119.605 120.400 -0.057 0.000 2.338 368 D HA 0.169 4.809 4.640 -0.000 0.000 0.208 368 D C -0.122 176.249 176.300 0.118 0.000 0.997 368 D CA 1.077 55.108 54.000 0.053 0.000 0.880 368 D CB 0.474 41.162 40.800 -0.186 0.000 0.980 368 D HN 0.200 nan 8.370 nan 0.000 0.509 369 V N 1.279 121.134 119.914 -0.099 0.000 2.841 369 V HA 0.358 4.478 4.120 -0.000 0.000 0.310 369 V C -0.912 175.177 176.094 -0.008 0.000 1.090 369 V CA -0.990 61.277 62.300 -0.056 0.000 0.930 369 V CB 3.028 34.655 31.823 -0.327 0.000 1.014 369 V HN -0.122 nan 8.190 nan 0.000 0.425 370 I N 4.318 124.914 120.570 0.044 0.000 2.362 370 I HA 0.523 4.693 4.170 -0.000 0.000 0.289 370 I C -0.719 175.439 176.117 0.068 0.000 0.994 370 I CA -0.142 61.174 61.300 0.026 0.000 1.158 370 I CB 1.114 39.098 38.000 -0.027 0.000 1.315 370 I HN 0.541 nan 8.210 nan 0.000 0.451 371 L N 7.766 129.038 121.223 0.081 0.000 2.281 371 L HA 0.416 4.756 4.340 -0.000 0.000 0.285 371 L C -0.582 176.320 176.870 0.054 0.000 1.074 371 L CA -0.527 54.376 54.840 0.105 0.000 0.817 371 L CB 0.982 43.102 42.059 0.101 0.000 1.168 371 L HN 0.374 nan 8.230 nan 0.000 0.434 372 V N 4.386 124.344 119.914 0.074 0.000 2.384 372 V HA 0.205 4.325 4.120 -0.000 0.000 0.257 372 V C -2.047 174.099 176.094 0.087 0.000 0.969 372 V CA -0.778 61.537 62.300 0.026 0.000 0.910 372 V CB 0.865 32.657 31.823 -0.050 0.000 1.150 372 V HN 0.627 nan 8.190 nan 0.000 0.481 373 P HA 0.209 nan 4.420 nan 0.000 0.214 373 P C 0.300 177.711 177.300 0.186 0.000 1.807 373 P CA 0.066 63.364 63.100 0.331 0.000 0.921 373 P CB 0.158 32.083 31.700 0.375 0.000 1.835 374 S N 0.748 116.475 115.700 0.045 0.000 2.560 374 S HA 0.151 4.621 4.470 -0.000 0.000 0.284 374 S C 1.667 176.295 174.600 0.046 0.000 1.327 374 S CA -0.328 57.868 58.200 -0.007 0.000 1.055 374 S CB 0.967 64.109 63.200 -0.096 0.000 0.868 374 S HN 0.257 nan 8.310 nan 0.000 0.506 375 R N 0.660 121.207 120.500 0.079 0.000 2.075 375 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 375 R C 0.178 176.710 176.300 0.386 0.000 1.126 375 R CA 1.106 57.331 56.100 0.209 0.000 0.963 375 R CB -0.065 30.389 30.300 0.256 0.000 0.858 375 R HN 0.735 nan 8.270 nan 0.000 0.435 376 F N -1.733 118.328 119.950 0.186 0.000 2.631 376 F HA 0.607 5.134 4.527 0.000 0.000 0.308 376 F C -1.285 174.558 175.800 0.071 0.000 1.097 376 F CA -1.443 56.710 58.000 0.255 0.000 0.952 376 F CB 1.910 41.201 39.000 0.486 0.000 1.307 376 F HN -0.349 nan 8.300 nan 0.000 0.450 377 E N 3.116 123.321 120.200 0.008 0.000 2.646 377 E HA 0.407 4.757 4.350 -0.000 0.000 0.336 377 E C -2.540 173.854 176.600 -0.345 0.000 1.027 377 E CA -2.031 54.238 56.400 -0.218 0.000 0.765 377 E CB 1.652 31.241 29.700 -0.184 0.000 1.545 377 E HN 0.299 nan 8.360 nan 0.000 0.382 378 P HA -0.189 nan 4.420 nan 0.000 0.216 378 P C 0.706 177.785 177.300 -0.370 0.000 1.157 378 P CA 1.190 63.712 63.100 -0.964 0.000 0.880 378 P CB 0.333 31.613 31.700 -0.700 0.000 0.791 379 C N -4.163 114.985 119.300 -0.253 0.000 3.071 379 C HA 0.650 5.109 4.460 -0.000 0.000 0.408 379 C C 0.370 175.214 174.990 -0.243 0.000 1.708 379 C CA 1.021 59.917 59.018 -0.202 0.000 2.195 379 C CB 0.247 27.898 27.740 -0.148 0.000 2.436 379 C HN 0.463 nan 8.230 nan 0.000 0.572 380 G N 1.443 110.096 108.800 -0.244 0.000 3.307 380 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 380 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 380 G C -0.298 174.354 174.900 -0.412 0.000 0.983 380 G CA 0.060 44.983 45.100 -0.295 0.000 0.804 380 G HN 0.668 nan 8.290 nan 0.000 0.531 381 L N 1.736 122.648 121.223 -0.519 0.000 2.500 381 L HA 0.101 4.441 4.340 -0.000 0.000 0.219 381 L C 3.063 179.164 176.870 -1.282 0.000 1.057 381 L CA 1.110 55.421 54.840 -0.882 0.000 0.854 381 L CB -0.291 41.262 42.059 -0.843 0.000 1.078 381 L HN 0.860 nan 8.230 nan 0.000 0.480 382 T N -1.867 112.171 114.554 -0.859 0.000 2.803 382 T HA -0.255 4.095 4.350 -0.000 0.000 0.269 382 T C 1.814 176.220 174.700 -0.489 0.000 1.052 382 T CA 1.415 63.111 62.100 -0.673 0.000 1.136 382 T CB -0.282 68.367 68.868 -0.366 0.000 0.864 382 T HN 0.368 nan 8.240 nan 0.000 0.467 383 Q N 1.696 121.242 119.800 -0.424 0.000 2.172 383 Q HA 0.027 4.367 4.340 -0.000 0.000 0.200 383 Q C 2.324 178.132 176.000 -0.321 0.000 0.964 383 Q CA 1.058 56.683 55.803 -0.296 0.000 0.855 383 Q CB -0.749 27.844 28.738 -0.241 0.000 0.918 383 Q HN 0.593 nan 8.270 nan 0.000 0.444 384 L N -0.083 120.838 121.223 -0.503 0.000 2.046 384 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 384 L C 2.560 179.348 176.870 -0.136 0.000 1.077 384 L CA 1.339 55.897 54.840 -0.470 0.000 0.747 384 L CB -0.880 40.758 42.059 -0.702 0.000 0.896 384 L HN 0.086 nan 8.230 nan 0.000 0.432 385 Y N 0.627 120.740 120.300 -0.311 0.000 2.181 385 Y HA -0.123 4.427 4.550 0.000 0.000 0.288 385 Y C 2.650 178.523 175.900 -0.044 0.000 1.146 385 Y CA 0.699 58.645 58.100 -0.256 0.000 1.164 385 Y CB -1.690 36.307 38.460 -0.772 0.000 0.982 385 Y HN 0.098 nan 8.280 nan 0.000 0.515 386 G N 0.175 108.988 108.800 0.021 0.000 2.446 386 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 386 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 386 G C 1.836 176.809 174.900 0.121 0.000 1.168 386 G CA 1.069 46.204 45.100 0.058 0.000 0.771 386 G HN 0.361 nan 8.290 nan 0.000 0.551 387 L N 0.226 121.491 121.223 0.070 0.000 1.990 387 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 387 L C 2.786 179.741 176.870 0.141 0.000 1.072 387 L CA 1.916 56.807 54.840 0.085 0.000 0.755 387 L CB -0.360 41.768 42.059 0.116 0.000 0.889 387 L HN 0.237 nan 8.230 nan 0.000 0.432 388 K N -0.411 120.116 120.400 0.211 0.000 2.147 388 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 388 K C 1.694 178.367 176.600 0.121 0.000 1.049 388 K CA 1.548 57.941 56.287 0.178 0.000 0.936 388 K CB -0.270 32.374 32.500 0.241 0.000 0.722 388 K HN 0.284 nan 8.250 nan 0.000 0.446 389 Y N -0.517 119.855 120.300 0.121 0.000 2.466 389 Y HA 0.189 4.739 4.550 -0.001 0.000 0.272 389 Y C 1.194 177.255 175.900 0.270 0.000 1.169 389 Y CA 0.285 58.496 58.100 0.184 0.000 1.285 389 Y CB 0.721 39.307 38.460 0.210 0.000 1.078 389 Y HN 0.294 nan 8.280 nan 0.000 0.523 390 G N 1.219 110.183 108.800 0.272 0.000 2.198 390 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 390 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 390 G C 0.232 175.256 174.900 0.207 0.000 1.025 390 G CA 0.628 45.849 45.100 0.202 0.000 0.769 390 G HN 0.414 nan 8.290 nan 0.000 0.507 391 T N -0.135 114.541 114.554 0.204 0.000 2.801 391 T HA 0.622 4.972 4.350 -0.000 0.000 0.306 391 T C 0.581 175.332 174.700 0.085 0.000 1.020 391 T CA -0.910 61.289 62.100 0.165 0.000 0.948 391 T CB 0.557 69.517 68.868 0.153 0.000 0.962 391 T HN 0.523 nan 8.240 nan 0.000 0.465 392 L N 6.967 128.225 121.223 0.059 0.000 2.513 392 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 392 L C -1.824 175.062 176.870 0.028 0.000 1.187 392 L CA -1.781 53.023 54.840 -0.059 0.000 0.895 392 L CB 0.123 42.039 42.059 -0.237 0.000 1.147 392 L HN 0.482 nan 8.230 nan 0.000 0.483 393 P HA 0.184 nan 4.420 nan 0.000 0.279 393 P C -0.931 176.448 177.300 0.132 0.000 1.239 393 P CA -0.372 62.745 63.100 0.028 0.000 0.789 393 P CB 1.560 33.233 31.700 -0.045 0.000 0.933 394 L N 4.745 126.093 121.223 0.209 0.000 2.316 394 L HA 0.546 4.885 4.340 -0.000 0.000 0.280 394 L C -0.513 176.513 176.870 0.259 0.000 1.006 394 L CA -0.793 54.238 54.840 0.318 0.000 0.836 394 L CB 1.184 43.450 42.059 0.345 0.000 1.221 394 L HN 0.233 nan 8.230 nan 0.000 0.418 395 V N 1.786 121.838 119.914 0.231 0.000 3.040 395 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 395 V C -0.630 175.382 176.094 -0.136 0.000 1.115 395 V CA -1.051 61.304 62.300 0.093 0.000 0.998 395 V CB 1.927 33.734 31.823 -0.025 0.000 1.042 395 V HN 0.837 nan 8.190 nan 0.000 0.433 396 R N 1.280 121.525 120.500 -0.426 0.000 2.410 396 R HA 0.412 4.752 4.340 -0.000 0.000 0.288 396 R C 0.230 176.306 176.300 -0.374 0.000 1.051 396 R CA -0.647 54.935 56.100 -0.864 0.000 1.021 396 R CB 0.844 30.709 30.300 -0.725 0.000 1.032 396 R HN 0.870 nan 8.270 nan 0.000 0.481 397 R N 2.577 122.891 120.500 -0.310 0.000 2.853 397 R HA 0.020 4.360 4.340 -0.000 0.000 0.238 397 R C -0.963 175.283 176.300 -0.091 0.000 1.538 397 R CA 0.483 56.495 56.100 -0.146 0.000 1.166 397 R CB -0.008 30.237 30.300 -0.091 0.000 1.201 397 R HN 0.476 nan 8.270 nan 0.000 0.606 398 T N 1.292 115.797 114.554 -0.082 0.000 2.889 398 T HA 0.515 4.865 4.350 -0.000 0.000 0.315 398 T C 0.273 174.933 174.700 -0.066 0.000 1.291 398 T CA 0.408 62.488 62.100 -0.033 0.000 1.028 398 T CB 1.324 70.239 68.868 0.078 0.000 1.235 398 T HN 0.740 nan 8.240 nan 0.000 0.491 399 G N 2.613 111.359 108.800 -0.090 0.000 2.627 399 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.312 399 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.312 399 G C 1.298 176.146 174.900 -0.087 0.000 1.299 399 G CA 0.738 45.795 45.100 -0.072 0.000 0.989 399 G HN 1.670 nan 8.290 nan 0.000 0.547 400 G N -0.441 108.288 108.800 -0.118 0.000 2.448 400 G HA2 0.108 4.068 3.960 -0.000 0.000 0.219 400 G HA3 0.108 4.068 3.960 -0.000 0.000 0.219 400 G C 1.920 176.728 174.900 -0.153 0.000 1.127 400 G CA 1.354 46.372 45.100 -0.136 0.000 0.766 400 G HN 0.722 nan 8.290 nan 0.000 0.552 401 L N 0.554 121.686 121.223 -0.151 0.000 2.042 401 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 401 L C 3.340 180.143 176.870 -0.111 0.000 1.076 401 L CA 1.130 55.884 54.840 -0.143 0.000 0.749 401 L CB -0.500 41.478 42.059 -0.134 0.000 0.893 401 L HN 0.293 nan 8.230 nan 0.000 0.432 402 A N -0.409 122.354 122.820 -0.095 0.000 1.969 402 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 402 A C 1.866 179.414 177.584 -0.059 0.000 1.169 402 A CA 1.695 53.689 52.037 -0.073 0.000 0.635 402 A CB -0.358 18.602 19.000 -0.067 0.000 0.810 402 A HN 0.351 nan 8.150 nan 0.000 0.445 403 D N -0.940 119.421 120.400 -0.064 0.000 2.317 403 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 403 D C 1.778 178.069 176.300 -0.015 0.000 0.966 403 D CA 1.782 55.757 54.000 -0.041 0.000 0.876 403 D CB 0.052 40.825 40.800 -0.043 0.000 0.927 403 D HN 0.651 nan 8.370 nan 0.000 0.519 404 T N -3.197 111.331 114.554 -0.043 0.000 2.958 404 T HA 0.232 4.582 4.350 -0.000 0.000 0.256 404 T C 0.569 175.274 174.700 0.007 0.000 0.983 404 T CA -0.241 61.859 62.100 0.001 0.000 0.924 404 T CB 0.559 69.305 68.868 -0.203 0.000 1.136 404 T HN -0.215 nan 8.240 nan 0.000 0.506 405 V N 2.145 122.030 119.914 -0.048 0.000 2.459 405 V HA 0.644 4.764 4.120 -0.000 0.000 0.295 405 V C -0.459 175.598 176.094 -0.061 0.000 1.029 405 V CA -0.738 61.525 62.300 -0.062 0.000 0.874 405 V CB 1.762 33.536 31.823 -0.082 0.000 0.985 405 V HN 0.337 nan 8.190 nan 0.000 0.438 406 S N 2.757 118.409 115.700 -0.080 0.000 2.456 406 S HA 0.342 4.812 4.470 -0.000 0.000 0.316 406 S C -0.442 174.094 174.600 -0.105 0.000 1.089 406 S CA -0.513 57.641 58.200 -0.076 0.000 1.101 406 S CB 1.224 64.380 63.200 -0.073 0.000 0.995 406 S HN 0.906 nan 8.310 nan 0.000 0.468 407 D N 1.312 121.673 120.400 -0.065 0.000 2.400 407 D HA 0.025 4.664 4.640 -0.000 0.000 0.238 407 D C 0.543 176.802 176.300 -0.069 0.000 1.157 407 D CA -0.557 53.412 54.000 -0.052 0.000 0.889 407 D CB 0.527 41.340 40.800 0.022 0.000 1.199 407 D HN 0.649 nan 8.370 nan 0.000 0.436 408 C N 2.600 121.854 119.300 -0.077 0.000 2.861 408 C HA 0.563 5.023 4.460 -0.000 0.000 0.542 408 C C 0.733 175.754 174.990 0.052 0.000 1.074 408 C CA -0.936 58.060 59.018 -0.037 0.000 1.232 408 C CB -2.374 25.320 27.740 -0.075 0.000 1.433 408 C HN 0.393 nan 8.230 nan 0.000 0.606 409 S N 1.222 116.947 115.700 0.041 0.000 2.655 409 S HA 0.490 4.960 4.470 -0.000 0.000 0.265 409 S C 1.035 175.666 174.600 0.050 0.000 1.240 409 S CA -0.775 57.458 58.200 0.054 0.000 0.986 409 S CB 0.692 63.918 63.200 0.044 0.000 0.985 409 S HN 0.584 nan 8.310 nan 0.000 0.562 410 L N 0.521 121.773 121.223 0.049 0.000 2.012 410 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 410 L C 2.696 179.587 176.870 0.036 0.000 1.073 410 L CA 1.819 56.684 54.840 0.042 0.000 0.748 410 L CB -0.994 41.087 42.059 0.037 0.000 0.891 410 L HN 0.705 nan 8.230 nan 0.000 0.431 411 E N 0.101 120.320 120.200 0.032 0.000 2.051 411 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 411 E C 1.916 178.534 176.600 0.030 0.000 0.991 411 E CA 1.215 57.630 56.400 0.027 0.000 0.799 411 E CB -0.404 29.308 29.700 0.020 0.000 0.748 411 E HN 0.373 nan 8.360 nan 0.000 0.449 412 N N 0.340 119.056 118.700 0.027 0.000 2.188 412 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 412 N C 1.790 177.332 175.510 0.053 0.000 1.018 412 N CA 0.794 53.856 53.050 0.019 0.000 0.858 412 N CB -0.242 38.242 38.487 -0.005 0.000 0.989 412 N HN 0.149 nan 8.380 nan 0.000 0.426 413 L N 0.450 121.720 121.223 0.079 0.000 2.046 413 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 413 L C 2.317 179.285 176.870 0.164 0.000 1.077 413 L CA 1.268 56.206 54.840 0.162 0.000 0.747 413 L CB -0.461 41.666 42.059 0.113 0.000 0.896 413 L HN 0.126 nan 8.230 nan 0.000 0.432 414 A N -0.601 122.266 122.820 0.078 0.000 1.969 414 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 414 A C 1.711 179.338 177.584 0.071 0.000 1.169 414 A CA 1.718 53.786 52.037 0.051 0.000 0.635 414 A CB -0.370 18.645 19.000 0.025 0.000 0.810 414 A HN 0.340 nan 8.150 nan 0.000 0.445 415 D N -0.969 119.471 120.400 0.067 0.000 2.349 415 D HA 0.247 4.887 4.640 -0.000 0.000 0.224 415 D C 1.279 177.620 176.300 0.069 0.000 1.029 415 D CA 1.031 55.062 54.000 0.052 0.000 0.879 415 D CB -0.135 40.679 40.800 0.023 0.000 0.906 415 D HN 0.561 nan 8.370 nan 0.000 0.528 416 G N 0.445 109.330 108.800 0.141 0.000 2.198 416 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 416 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 416 G C 0.808 175.662 174.900 -0.076 0.000 1.042 416 G CA 0.378 45.547 45.100 0.114 0.000 0.791 416 G HN 0.361 nan 8.290 nan 0.000 0.502 417 V N -0.424 119.458 119.914 -0.053 0.000 3.604 417 V HA 0.566 4.686 4.120 -0.000 0.000 0.277 417 V C 1.849 177.875 176.094 -0.113 0.000 1.399 417 V CA 0.998 63.245 62.300 -0.088 0.000 1.034 417 V CB 0.359 32.152 31.823 -0.050 0.000 0.824 417 V HN 1.238 nan 8.190 nan 0.000 0.439 418 A N 0.810 123.569 122.820 -0.102 0.000 2.546 418 A HA 0.367 4.686 4.320 -0.000 0.000 0.243 418 A C 1.118 178.567 177.584 -0.225 0.000 1.063 418 A CA 0.985 52.939 52.037 -0.138 0.000 0.757 418 A CB 0.156 19.102 19.000 -0.090 0.000 0.991 418 A HN 0.739 nan 8.150 nan 0.000 0.503 419 S N 0.938 116.488 115.700 -0.250 0.000 2.817 419 S HA 0.552 5.021 4.470 -0.000 0.000 0.262 419 S C 0.607 174.986 174.600 -0.369 0.000 1.051 419 S CA 0.505 58.539 58.200 -0.276 0.000 1.185 419 S CB -0.156 62.939 63.200 -0.174 0.000 1.152 419 S HN 2.102 nan 8.310 nan 0.000 0.653 420 G N 0.559 109.064 108.800 -0.491 0.000 2.435 420 G HA2 0.530 4.490 3.960 -0.000 0.000 0.296 420 G HA3 0.530 4.490 3.960 -0.000 0.000 0.296 420 G C -2.165 172.241 174.900 -0.824 0.000 1.240 420 G CA -0.811 43.871 45.100 -0.697 0.000 0.872 420 G HN 0.203 nan 8.290 nan 0.000 0.480 421 F N -0.140 119.797 119.950 -0.021 0.000 2.529 421 F HA 0.702 5.229 4.527 -0.000 0.000 0.320 421 F C -0.020 175.828 175.800 0.079 0.000 1.118 421 F CA -0.973 57.048 58.000 0.035 0.000 0.915 421 F CB 2.710 41.748 39.000 0.064 0.000 1.161 421 F HN 0.257 nan 8.300 nan 0.000 0.445 422 V N 3.902 123.966 119.914 0.250 0.000 2.588 422 V HA 0.559 4.679 4.120 -0.000 0.000 0.304 422 V C -0.669 175.568 176.094 0.239 0.000 1.042 422 V CA -0.968 61.432 62.300 0.165 0.000 0.877 422 V CB 1.756 33.608 31.823 0.048 0.000 0.996 422 V HN 0.631 nan 8.190 nan 0.000 0.425 423 F N 1.285 121.278 119.950 0.073 0.000 2.593 423 F HA 0.763 5.290 4.527 -0.000 0.000 0.320 423 F C 0.742 176.587 175.800 0.076 0.000 1.060 423 F CA -0.775 57.265 58.000 0.066 0.000 0.940 423 F CB 1.604 40.632 39.000 0.046 0.000 1.268 423 F HN 0.325 nan 8.300 nan 0.000 0.475 424 E N 0.255 120.532 120.200 0.129 0.000 2.099 424 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 424 E C -0.517 176.117 176.600 0.057 0.000 0.962 424 E CA 0.779 57.201 56.400 0.036 0.000 0.826 424 E CB -0.015 29.751 29.700 0.111 0.000 0.788 424 E HN 0.635 nan 8.360 nan 0.000 0.461 425 D N 0.507 121.058 120.400 0.251 0.000 2.198 425 D HA 0.198 4.838 4.640 -0.000 0.000 0.247 425 D C -0.522 175.988 176.300 0.350 0.000 1.010 425 D CA -0.334 53.812 54.000 0.244 0.000 0.880 425 D CB 1.619 42.564 40.800 0.242 0.000 1.209 425 D HN -0.283 nan 8.370 nan 0.000 0.451 426 S N 1.571 117.420 115.700 0.248 0.000 4.175 426 S HA 0.157 4.626 4.470 -0.000 0.000 0.193 426 S C 0.099 174.832 174.600 0.221 0.000 1.373 426 S CA -0.542 57.818 58.200 0.268 0.000 0.908 426 S CB -1.116 62.191 63.200 0.180 0.000 1.547 426 S HN 0.474 nan 8.310 nan 0.000 0.440 427 N N -0.877 117.971 118.700 0.247 0.000 2.610 427 N HA 0.629 5.369 4.740 -0.000 0.000 0.264 427 N C 0.364 175.947 175.510 0.121 0.000 1.348 427 N CA -0.695 52.456 53.050 0.168 0.000 0.819 427 N CB 0.540 39.127 38.487 0.167 0.000 1.521 427 N HN -0.049 nan 8.380 nan 0.000 0.497 428 A N -0.398 122.470 122.820 0.081 0.000 2.015 428 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 428 A C 1.586 179.172 177.584 0.003 0.000 1.163 428 A CA 0.909 52.946 52.037 0.001 0.000 0.646 428 A CB -1.172 17.831 19.000 0.005 0.000 0.806 428 A HN 0.810 nan 8.150 nan 0.000 0.448 429 W N 0.496 121.761 121.300 -0.059 0.000 2.379 429 W HA -0.156 4.504 4.660 0.000 0.000 0.307 429 W C 2.636 179.118 176.519 -0.062 0.000 1.200 429 W CA 1.944 59.258 57.345 -0.051 0.000 1.297 429 W CB -0.281 29.168 29.460 -0.017 0.000 1.140 429 W HN 0.264 nan 8.180 nan 0.000 0.507 430 S N 0.266 116.101 115.700 0.225 0.000 2.356 430 S HA -0.241 4.229 4.470 -0.000 0.000 0.223 430 S C 1.938 176.327 174.600 -0.352 0.000 1.032 430 S CA 1.623 59.873 58.200 0.085 0.000 1.005 430 S CB -0.903 62.550 63.200 0.422 0.000 0.867 430 S HN 0.305 nan 8.310 nan 0.000 0.449 431 L N 1.681 122.502 121.223 -0.669 0.000 2.013 431 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 431 L C 2.142 178.657 176.870 -0.591 0.000 1.073 431 L CA 1.810 55.999 54.840 -1.085 0.000 0.753 431 L CB -0.790 40.781 42.059 -0.813 0.000 0.890 431 L HN 0.404 nan 8.230 nan 0.000 0.432 432 L N -0.944 120.010 121.223 -0.449 0.000 2.131 432 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 432 L C 2.738 179.367 176.870 -0.402 0.000 1.092 432 L CA 0.713 55.323 54.840 -0.382 0.000 0.759 432 L CB -0.519 41.337 42.059 -0.337 0.000 0.903 432 L HN 0.251 nan 8.230 nan 0.000 0.435 433 R N -0.037 120.135 120.500 -0.548 0.000 2.081 433 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 433 R C 2.267 178.439 176.300 -0.212 0.000 1.131 433 R CA 1.475 57.312 56.100 -0.439 0.000 0.960 433 R CB -1.138 28.815 30.300 -0.579 0.000 0.856 433 R HN 0.361 nan 8.270 nan 0.000 0.436 434 A N 0.876 123.589 122.820 -0.178 0.000 1.930 434 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 434 A C 2.337 179.836 177.584 -0.143 0.000 1.175 434 A CA 0.997 53.001 52.037 -0.054 0.000 0.627 434 A CB -0.453 18.597 19.000 0.082 0.000 0.815 434 A HN 0.197 nan 8.150 nan 0.000 0.443 435 I N -1.130 119.339 120.570 -0.168 0.000 2.226 435 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 435 I C 2.789 178.944 176.117 0.062 0.000 1.100 435 I CA 1.152 62.392 61.300 -0.099 0.000 1.374 435 I CB -0.295 37.602 38.000 -0.172 0.000 1.057 435 I HN 0.260 nan 8.210 nan 0.000 0.413 436 R N 0.888 121.397 120.500 0.016 0.000 2.081 436 R HA -0.167 4.172 4.340 -0.000 0.000 0.235 436 R C 2.361 178.717 176.300 0.094 0.000 1.131 436 R CA 1.435 57.587 56.100 0.088 0.000 0.960 436 R CB -0.464 29.814 30.300 -0.037 0.000 0.856 436 R HN 0.310 nan 8.270 nan 0.000 0.436 437 R N 0.035 120.538 120.500 0.005 0.000 2.103 437 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 437 R C 2.088 178.362 176.300 -0.043 0.000 1.142 437 R CA 1.834 57.959 56.100 0.041 0.000 0.960 437 R CB -0.273 30.088 30.300 0.102 0.000 0.858 437 R HN 0.240 nan 8.270 nan 0.000 0.439 438 A N 0.091 122.654 122.820 -0.429 0.000 1.877 438 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 438 A C 2.001 179.605 177.584 0.034 0.000 1.186 438 A CA 1.329 53.014 52.037 -0.586 0.000 0.620 438 A CB -0.774 17.748 19.000 -0.797 0.000 0.822 438 A HN 0.403 nan 8.150 nan 0.000 0.443 439 F N -0.142 119.859 119.950 0.084 0.000 2.171 439 F HA -0.171 4.356 4.527 -0.000 0.000 0.300 439 F C 2.419 178.347 175.800 0.212 0.000 1.090 439 F CA 1.504 59.590 58.000 0.143 0.000 1.293 439 F CB -0.355 38.679 39.000 0.057 0.000 1.013 439 F HN 0.037 nan 8.300 nan 0.000 0.486 440 V N -0.241 119.872 119.914 0.332 0.000 2.295 440 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 440 V C 2.254 178.535 176.094 0.312 0.000 1.049 440 V CA 1.597 64.057 62.300 0.266 0.000 1.024 440 V CB -0.667 31.273 31.823 0.195 0.000 0.648 440 V HN 0.262 nan 8.190 nan 0.000 0.447 441 L N -0.442 121.025 121.223 0.406 0.000 2.083 441 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 441 L C 2.155 179.408 176.870 0.639 0.000 1.083 441 L CA 1.897 57.050 54.840 0.521 0.000 0.752 441 L CB -0.633 41.814 42.059 0.647 0.000 0.899 441 L HN 0.550 nan 8.230 nan 0.000 0.433 442 W N -0.126 121.401 121.300 0.379 0.000 2.374 442 W HA -0.192 4.467 4.660 -0.001 0.000 0.288 442 W C 2.284 178.798 176.519 -0.008 0.000 1.218 442 W CA 1.456 58.779 57.345 -0.036 0.000 1.245 442 W CB -0.214 29.045 29.460 -0.335 0.000 1.126 442 W HN 0.514 nan 8.180 nan 0.000 0.545 443 S N 0.865 116.679 115.700 0.191 0.000 2.607 443 S HA 0.037 4.507 4.470 -0.000 0.000 0.224 443 S C 0.721 175.332 174.600 0.019 0.000 0.969 443 S CA 0.237 58.484 58.200 0.078 0.000 0.927 443 S CB -0.304 62.986 63.200 0.149 0.000 0.772 443 S HN 0.146 nan 8.310 nan 0.000 0.533 444 R N 1.031 121.561 120.500 0.051 0.000 2.587 444 R HA 0.292 4.632 4.340 -0.000 0.000 0.283 444 R C -2.628 173.692 176.300 0.034 0.000 1.472 444 R CA -1.767 54.358 56.100 0.043 0.000 1.578 444 R CB 0.718 31.074 30.300 0.093 0.000 1.130 444 R HN 0.218 nan 8.270 nan 0.000 0.602 445 P HA -0.231 nan 4.420 nan 0.000 0.216 445 P C 1.571 178.886 177.300 0.026 0.000 1.150 445 P CA 1.565 64.588 63.100 -0.129 0.000 0.843 445 P CB 0.299 31.866 31.700 -0.221 0.000 0.787 446 S N -1.503 114.212 115.700 0.025 0.000 2.428 446 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 446 S C 1.959 176.626 174.600 0.112 0.000 1.014 446 S CA 0.638 58.871 58.200 0.055 0.000 0.957 446 S CB -1.355 61.852 63.200 0.012 0.000 0.784 446 S HN 0.051 nan 8.310 nan 0.000 0.499 447 L N -0.203 121.092 121.223 0.119 0.000 2.072 447 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 447 L C 2.647 179.667 176.870 0.251 0.000 1.079 447 L CA 1.268 56.205 54.840 0.162 0.000 0.752 447 L CB -0.430 41.706 42.059 0.128 0.000 0.906 447 L HN 0.556 nan 8.230 nan 0.000 0.436 448 W N 1.340 122.686 121.300 0.077 0.000 2.335 448 W HA -0.309 4.351 4.660 -0.000 0.000 0.311 448 W C 2.625 179.185 176.519 0.067 0.000 1.213 448 W CA 1.915 59.308 57.345 0.079 0.000 1.274 448 W CB -0.226 29.240 29.460 0.011 0.000 1.148 448 W HN 0.144 nan 8.180 nan 0.000 0.498 449 R N 0.379 121.068 120.500 0.316 0.000 2.081 449 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 449 R C 2.337 178.720 176.300 0.140 0.000 1.131 449 R CA 2.003 58.228 56.100 0.209 0.000 0.960 449 R CB -1.901 28.493 30.300 0.158 0.000 0.856 449 R HN 0.165 nan 8.270 nan 0.000 0.436 450 F N 0.015 119.969 119.950 0.007 0.000 2.091 450 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 450 F C 1.844 177.599 175.800 -0.075 0.000 1.103 450 F CA 1.830 59.814 58.000 -0.027 0.000 1.228 450 F CB -0.428 38.560 39.000 -0.020 0.000 0.984 450 F HN -0.103 nan 8.300 nan 0.000 0.477 451 V N 0.238 120.091 119.914 -0.100 0.000 2.427 451 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 451 V C 2.328 178.234 176.094 -0.314 0.000 1.051 451 V CA 2.067 64.186 62.300 -0.301 0.000 1.048 451 V CB -0.817 30.805 31.823 -0.335 0.000 0.666 451 V HN 0.391 nan 8.190 nan 0.000 0.456 452 Q N -0.255 119.400 119.800 -0.242 0.000 2.096 452 Q HA -0.221 4.118 4.340 -0.000 0.000 0.204 452 Q C 2.525 178.464 176.000 -0.101 0.000 0.982 452 Q CA 1.748 57.470 55.803 -0.136 0.000 0.850 452 Q CB -0.189 28.555 28.738 0.010 0.000 0.901 452 Q HN 0.579 nan 8.270 nan 0.000 0.422 453 R N -0.069 120.362 120.500 -0.115 0.000 2.115 453 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 453 R C 2.253 178.445 176.300 -0.181 0.000 1.111 453 R CA 1.176 57.208 56.100 -0.113 0.000 0.976 453 R CB -0.087 30.158 30.300 -0.092 0.000 0.870 453 R HN 0.161 nan 8.270 nan 0.000 0.445 454 Q N 0.935 120.562 119.800 -0.290 0.000 2.083 454 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 454 Q C 1.934 177.818 176.000 -0.194 0.000 0.969 454 Q CA 1.888 57.517 55.803 -0.290 0.000 0.838 454 Q CB -0.239 28.252 28.738 -0.411 0.000 0.900 454 Q HN 0.281 nan 8.270 nan 0.000 0.436 455 A N 0.301 123.015 122.820 -0.177 0.000 1.908 455 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 455 A C 2.073 179.628 177.584 -0.048 0.000 1.181 455 A CA 1.939 53.912 52.037 -0.107 0.000 0.627 455 A CB -0.611 18.322 19.000 -0.111 0.000 0.818 455 A HN 0.525 nan 8.150 nan 0.000 0.445 456 M N -0.728 118.842 119.600 -0.049 0.000 2.562 456 M HA 0.034 4.514 4.480 -0.000 0.000 0.257 456 M C 2.036 178.301 176.300 -0.059 0.000 1.099 456 M CA 0.812 56.097 55.300 -0.025 0.000 1.099 456 M CB -0.075 32.520 32.600 -0.008 0.000 1.427 456 M HN 0.463 nan 8.290 nan 0.000 0.489 457 A N -0.189 122.575 122.820 -0.094 0.000 2.178 457 A HA 0.158 4.478 4.320 -0.000 0.000 0.211 457 A C 1.066 178.558 177.584 -0.154 0.000 1.157 457 A CA 0.268 52.236 52.037 -0.115 0.000 0.780 457 A CB -0.041 18.883 19.000 -0.127 0.000 0.828 457 A HN 0.242 nan 8.150 nan 0.000 0.476 458 M N 0.841 120.342 119.600 -0.165 0.000 2.238 458 M HA 0.219 4.699 4.480 -0.000 0.000 0.347 458 M C -0.844 175.198 176.300 -0.430 0.000 1.173 458 M CA 0.056 55.171 55.300 -0.307 0.000 1.147 458 M CB 0.140 32.613 32.600 -0.211 0.000 1.547 458 M HN 0.220 nan 8.290 nan 0.000 0.455 459 D N 2.213 122.198 120.400 -0.692 0.000 2.505 459 D HA 0.540 5.180 4.640 -0.000 0.000 0.249 459 D C -1.744 174.026 176.300 -0.884 0.000 1.082 459 D CA -0.194 53.472 54.000 -0.557 0.000 0.839 459 D CB 0.839 41.457 40.800 -0.303 0.000 1.317 459 D HN 0.325 nan 8.370 nan 0.000 0.497 460 F N 2.156 122.040 119.950 -0.110 0.000 2.646 460 F HA 0.296 4.823 4.527 -0.000 0.000 0.364 460 F C 0.139 175.805 175.800 -0.224 0.000 1.137 460 F CA -0.910 56.980 58.000 -0.184 0.000 1.085 460 F CB 1.710 40.584 39.000 -0.211 0.000 1.331 460 F HN 0.146 nan 8.300 nan 0.000 0.472 461 S N 2.216 117.861 115.700 -0.091 0.000 2.437 461 S HA 0.244 4.714 4.470 -0.000 0.000 0.305 461 S C 0.583 175.155 174.600 -0.047 0.000 1.109 461 S CA -0.564 57.608 58.200 -0.047 0.000 1.099 461 S CB 0.693 63.890 63.200 -0.005 0.000 1.004 461 S HN 0.712 nan 8.310 nan 0.000 0.475 462 W N 2.724 124.100 121.300 0.127 0.000 2.363 462 W HA -0.075 4.585 4.660 -0.000 0.000 0.296 462 W C 2.482 179.082 176.519 0.135 0.000 1.212 462 W CA 0.598 58.026 57.345 0.140 0.000 1.260 462 W CB 0.024 29.565 29.460 0.135 0.000 1.131 462 W HN 0.752 nan 8.180 nan 0.000 0.530 463 Q N -0.304 119.691 119.800 0.325 0.000 2.167 463 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 463 Q C 2.075 178.179 176.000 0.173 0.000 0.970 463 Q CA 1.431 57.373 55.803 0.231 0.000 0.855 463 Q CB -0.388 28.451 28.738 0.167 0.000 0.911 463 Q HN 0.206 nan 8.270 nan 0.000 0.438 464 V N 0.847 120.834 119.914 0.122 0.000 2.307 464 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 464 V C 2.287 178.429 176.094 0.080 0.000 1.045 464 V CA 1.828 64.168 62.300 0.066 0.000 1.024 464 V CB -0.948 30.880 31.823 0.008 0.000 0.651 464 V HN 0.378 nan 8.190 nan 0.000 0.449 465 A N 0.128 123.019 122.820 0.119 0.000 1.940 465 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 465 A C 2.417 180.152 177.584 0.252 0.000 1.176 465 A CA 2.169 54.294 52.037 0.147 0.000 0.631 465 A CB -0.810 18.347 19.000 0.262 0.000 0.814 465 A HN 0.594 nan 8.150 nan 0.000 0.446 466 A N -0.396 122.648 122.820 0.373 0.000 1.978 466 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 466 A C 2.097 179.830 177.584 0.248 0.000 1.170 466 A CA 2.049 54.326 52.037 0.399 0.000 0.636 466 A CB -0.442 18.762 19.000 0.340 0.000 0.810 466 A HN 0.576 nan 8.150 nan 0.000 0.448 467 K N -0.175 120.316 120.400 0.152 0.000 2.057 467 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 467 K C 2.253 178.869 176.600 0.027 0.000 1.049 467 K CA 1.615 57.954 56.287 0.087 0.000 0.931 467 K CB -0.165 32.367 32.500 0.054 0.000 0.714 467 K HN 0.450 nan 8.250 nan 0.000 0.440 468 S N -0.110 115.566 115.700 -0.039 0.000 2.356 468 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 468 S C 1.738 176.215 174.600 -0.204 0.000 1.032 468 S CA 1.280 59.390 58.200 -0.149 0.000 1.005 468 S CB -0.435 62.614 63.200 -0.253 0.000 0.867 468 S HN 0.353 nan 8.310 nan 0.000 0.449 469 Y N 1.474 121.718 120.300 -0.094 0.000 2.165 469 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 469 Y C 2.722 178.238 175.900 -0.640 0.000 1.155 469 Y CA 1.443 59.330 58.100 -0.355 0.000 1.164 469 Y CB -0.190 38.144 38.460 -0.210 0.000 0.978 469 Y HN 0.131 nan 8.280 nan 0.000 0.513 470 R N 0.909 121.358 120.500 -0.086 0.000 2.081 470 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 470 R C 1.840 178.240 176.300 0.168 0.000 1.131 470 R CA 1.952 58.114 56.100 0.103 0.000 0.960 470 R CB -0.198 30.254 30.300 0.254 0.000 0.856 470 R HN 0.391 nan 8.270 nan 0.000 0.436 471 E N 0.685 120.921 120.200 0.060 0.000 2.085 471 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 471 E C 2.076 178.693 176.600 0.030 0.000 0.994 471 E CA 1.440 57.873 56.400 0.055 0.000 0.801 471 E CB -0.174 29.519 29.700 -0.012 0.000 0.743 471 E HN 0.347 nan 8.360 nan 0.000 0.453 472 L N 0.197 121.364 121.223 -0.093 0.000 1.989 472 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 472 L C 2.321 179.192 176.870 0.002 0.000 1.071 472 L CA 1.495 56.247 54.840 -0.147 0.000 0.749 472 L CB -0.281 41.624 42.059 -0.257 0.000 0.890 472 L HN 0.222 nan 8.230 nan 0.000 0.431 473 Y N -1.028 119.296 120.300 0.041 0.000 2.165 473 Y HA -0.295 4.254 4.550 -0.000 0.000 0.286 473 Y C 2.440 178.290 175.900 -0.083 0.000 1.155 473 Y CA 1.227 59.305 58.100 -0.036 0.000 1.164 473 Y CB -1.390 37.037 38.460 -0.054 0.000 0.978 473 Y HN 0.188 nan 8.280 nan 0.000 0.513 474 Y N -0.344 120.051 120.300 0.159 0.000 2.242 474 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 474 Y C 2.759 178.687 175.900 0.046 0.000 1.137 474 Y CA 1.580 59.733 58.100 0.088 0.000 1.181 474 Y CB -0.421 38.080 38.460 0.068 0.000 0.989 474 Y HN -0.034 nan 8.280 nan 0.000 0.527 475 R N 0.483 121.083 120.500 0.166 0.000 2.083 475 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 475 R C 1.904 178.236 176.300 0.053 0.000 1.137 475 R CA 1.759 57.907 56.100 0.080 0.000 0.951 475 R CB -0.542 29.772 30.300 0.024 0.000 0.851 475 R HN 0.348 nan 8.270 nan 0.000 0.434 476 L N 0.229 121.478 121.223 0.043 0.000 2.201 476 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 476 L C 0.560 177.439 176.870 0.015 0.000 1.105 476 L CA 1.003 55.861 54.840 0.030 0.000 0.775 476 L CB -0.366 41.715 42.059 0.037 0.000 0.913 476 L HN 0.258 nan 8.230 nan 0.000 0.440 477 K N 0.000 120.405 120.400 0.008 0.000 2.780 477 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 477 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 477 K CB 0.000 32.505 32.500 0.008 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543