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 2zux_1_B DATA FIRST_RESID 39 DATA SEQUENCE ARQMEALNRG LVAVKTDGGI FVSWRFLGTE NASVLFNVYR DGQKLNAAPV DATA SEQUENCE KTTNYVDKNG SAGSTYTVRA VVNGTEQPAS EKASVWAQPY HSVPLDKPAG DATA SEQUENCE GTTPKGESYT YSANDASVGD VDGDGQYELI LKWDPSNSKD NSQDGYTGDV DATA SEQUENCE LIDAYKLDGT KLWRINLGKN IRAGAHYTQF MVYDLDGDGK AEVAMKTADG DATA SEQUENCE TKDGTGKVIG NANADYRNEQ GRVLSGPEYL TVFQGSTGKE LVTANFEPAR DATA SEQUENCE GNVSDWGDSY GNRVDRFLAG IAYLDGQRPS LIMTRGYYAK TMLVAYNFRD DATA SEQUENCE GKLSKLWTLD SSKSGNEAFA GQGNHNLSIA DVDGDGKDEI IFGSMAVDHD DATA SEQUENCE GKGMYSTGLG HGDALHTGDL DPGRPGLEVF QVHEDKNAKY GLSFRDAATG DATA SEQUENCE KILWGVYAGK DVGRGMAADI DPRYPGQEVW ANGSLYSAKG VKIGSGVPSS DATA SEQUENCE TNFGIWWDGD LLREQLDSNR IDKWDYQNGV SKNMLTASGA AANNGTKATP DATA SEQUENCE TLQADLLGDW REEVVWRTED SSALRIYTTT IPTEHRLYTL MHDPVYRLGI DATA SEQUENCE AWQNIAYNQP PHTSFFLGDG MAEQPKPNMY TP 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.738 177.584 0.257 0.000 1.274 39 A CA 0.000 52.135 52.037 0.164 0.000 0.836 39 A CB 0.000 19.131 19.000 0.219 0.000 0.831 40 R N 1.259 121.823 120.500 0.107 0.000 2.428 40 R HA 0.387 4.727 4.340 -0.000 0.000 0.294 40 R C 0.069 176.201 176.300 -0.281 0.000 1.000 40 R CA -0.670 55.458 56.100 0.047 0.000 0.960 40 R CB 1.496 31.725 30.300 -0.118 0.000 1.076 40 R HN 0.852 nan 8.270 nan 0.000 0.475 41 Q N 3.588 123.168 119.800 -0.366 0.000 2.255 41 Q HA 0.013 4.353 4.340 -0.000 0.000 0.280 41 Q C -0.739 175.167 176.000 -0.157 0.000 1.068 41 Q CA 0.669 56.057 55.803 -0.692 0.000 0.911 41 Q CB 0.537 29.137 28.738 -0.230 0.000 1.157 41 Q HN 0.336 nan 8.270 nan 0.000 0.380 42 M N 2.573 122.027 119.600 -0.243 0.000 2.704 42 M HA 0.361 4.840 4.480 -0.000 0.000 0.284 42 M C -0.897 175.383 176.300 -0.034 0.000 1.275 42 M CA -0.769 54.496 55.300 -0.059 0.000 0.811 42 M CB 1.750 34.286 32.600 -0.106 0.000 1.741 42 M HN 0.560 nan 8.290 nan 0.000 0.458 43 E N 1.030 121.282 120.200 0.086 0.000 2.313 43 E HA 0.474 4.824 4.350 -0.000 0.000 0.276 43 E C -0.294 176.394 176.600 0.148 0.000 1.031 43 E CA -0.319 56.133 56.400 0.086 0.000 0.857 43 E CB 1.005 30.755 29.700 0.084 0.000 1.040 43 E HN 0.643 nan 8.360 nan 0.000 0.408 44 A N 4.658 127.518 122.820 0.067 0.000 2.444 44 A HA 0.238 4.558 4.320 -0.000 0.000 0.273 44 A C -0.425 177.186 177.584 0.044 0.000 1.136 44 A CA -0.019 52.061 52.037 0.073 0.000 0.799 44 A CB -0.200 18.826 19.000 0.044 0.000 1.081 44 A HN 0.541 nan 8.150 nan 0.000 0.509 45 L N 2.998 124.270 121.223 0.082 0.000 2.342 45 L HA 0.359 4.699 4.340 -0.000 0.000 0.271 45 L C 0.447 177.330 176.870 0.021 0.000 1.008 45 L CA -1.142 53.690 54.840 -0.015 0.000 0.818 45 L CB 1.703 43.722 42.059 -0.067 0.000 1.296 45 L HN 0.924 nan 8.230 nan 0.000 0.427 46 N N 1.162 119.855 118.700 -0.010 0.000 2.322 46 N HA 0.022 4.762 4.740 -0.000 0.000 0.270 46 N C 0.685 176.229 175.510 0.057 0.000 1.286 46 N CA -0.454 52.611 53.050 0.026 0.000 0.948 46 N CB 0.351 38.846 38.487 0.012 0.000 1.164 46 N HN 0.434 nan 8.380 nan 0.000 0.551 47 R N -1.233 119.309 120.500 0.070 0.000 2.193 47 R HA 0.066 4.406 4.340 -0.000 0.000 0.229 47 R C 0.945 177.316 176.300 0.118 0.000 1.110 47 R CA 1.307 57.468 56.100 0.102 0.000 0.988 47 R CB -1.201 29.133 30.300 0.056 0.000 0.871 47 R HN 0.948 nan 8.270 nan 0.000 0.458 48 G N 0.127 108.978 108.800 0.084 0.000 2.225 48 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 48 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 48 G C -0.174 174.791 174.900 0.107 0.000 1.024 48 G CA 0.386 45.542 45.100 0.093 0.000 0.784 48 G HN 0.380 nan 8.290 nan 0.000 0.507 49 L N 0.173 121.454 121.223 0.097 0.000 2.499 49 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 49 L C 0.463 177.362 176.870 0.049 0.000 1.195 49 L CA 0.119 55.011 54.840 0.087 0.000 0.882 49 L CB 1.388 43.463 42.059 0.028 0.000 1.133 49 L HN 0.336 nan 8.230 nan 0.000 0.483 50 V N 5.107 125.012 119.914 -0.014 0.000 2.876 50 V HA 0.935 5.055 4.120 -0.000 0.000 0.312 50 V C -0.863 175.082 176.094 -0.247 0.000 1.085 50 V CA 0.005 62.215 62.300 -0.151 0.000 0.945 50 V CB 1.972 33.632 31.823 -0.272 0.000 1.017 50 V HN 1.083 nan 8.190 nan 0.000 0.428 51 A N 5.089 127.706 122.820 -0.338 0.000 2.381 51 A HA 0.869 5.189 4.320 -0.000 0.000 0.299 51 A C -1.575 175.812 177.584 -0.328 0.000 1.049 51 A CA -0.447 51.408 52.037 -0.304 0.000 0.715 51 A CB 1.796 20.689 19.000 -0.177 0.000 1.222 51 A HN 1.043 nan 8.150 nan 0.000 0.428 52 V N 2.465 122.246 119.914 -0.221 0.000 2.841 52 V HA 0.358 4.478 4.120 -0.000 0.000 0.310 52 V C -0.022 176.077 176.094 0.009 0.000 1.090 52 V CA -1.050 61.170 62.300 -0.133 0.000 0.930 52 V CB 2.106 33.788 31.823 -0.234 0.000 1.014 52 V HN 0.938 nan 8.190 nan 0.000 0.425 53 K N 1.499 121.933 120.400 0.056 0.000 2.485 53 K HA 0.425 4.744 4.320 -0.000 0.000 0.277 53 K C -0.006 176.620 176.600 0.043 0.000 0.990 53 K CA 0.358 56.682 56.287 0.061 0.000 0.994 53 K CB 0.704 33.245 32.500 0.068 0.000 0.906 53 K HN 0.815 nan 8.250 nan 0.000 0.488 54 T N 0.507 115.088 114.554 0.044 0.000 2.754 54 T HA 0.079 4.428 4.350 -0.000 0.000 0.296 54 T C -1.733 172.983 174.700 0.026 0.000 1.205 54 T CA -0.859 61.255 62.100 0.024 0.000 1.009 54 T CB 1.425 70.312 68.868 0.032 0.000 1.368 54 T HN 0.614 nan 8.240 nan 0.000 0.509 55 D N -0.042 120.366 120.400 0.013 0.000 2.348 55 D HA 0.530 5.170 4.640 -0.000 0.000 0.253 55 D C 0.713 177.021 176.300 0.013 0.000 1.161 55 D CA 1.920 55.928 54.000 0.014 0.000 0.876 55 D CB 0.014 40.818 40.800 0.008 0.000 1.160 55 D HN 1.027 nan 8.370 nan 0.000 0.459 56 G N 2.050 110.860 108.800 0.016 0.000 2.548 56 G HA2 0.037 3.997 3.960 -0.000 0.000 0.208 56 G HA3 0.037 3.997 3.960 -0.000 0.000 0.208 56 G C 0.662 175.581 174.900 0.032 0.000 1.308 56 G CA -0.157 44.953 45.100 0.017 0.000 0.924 56 G HN 0.851 nan 8.290 nan 0.000 0.540 57 G N -0.740 108.084 108.800 0.040 0.000 2.535 57 G HA2 0.463 4.423 3.960 -0.000 0.000 0.210 57 G HA3 0.463 4.423 3.960 -0.000 0.000 0.210 57 G C 0.360 175.301 174.900 0.068 0.000 1.593 57 G CA 1.042 46.180 45.100 0.064 0.000 0.948 57 G HN 0.936 nan 8.290 nan 0.000 0.476 58 I N 0.316 120.926 120.570 0.066 0.000 2.466 58 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 58 I C -1.371 174.733 176.117 -0.022 0.000 1.026 58 I CA -1.228 60.088 61.300 0.026 0.000 1.078 58 I CB 1.415 39.426 38.000 0.020 0.000 1.249 58 I HN 0.212 nan 8.210 nan 0.000 0.429 59 F N 7.156 127.014 119.950 -0.154 0.000 2.420 59 F HA 0.532 5.059 4.527 -0.000 0.000 0.352 59 F C -0.407 175.248 175.800 -0.241 0.000 1.108 59 F CA -0.150 57.742 58.000 -0.181 0.000 1.162 59 F CB 0.929 39.819 39.000 -0.184 0.000 1.118 59 F HN 0.149 nan 8.300 nan 0.000 0.510 60 V N 5.554 124.956 119.914 -0.853 0.000 2.540 60 V HA 0.616 4.736 4.120 -0.000 0.000 0.302 60 V C -0.647 175.019 176.094 -0.714 0.000 1.035 60 V CA -0.466 61.480 62.300 -0.591 0.000 0.873 60 V CB 1.609 33.216 31.823 -0.359 0.000 0.992 60 V HN 0.894 nan 8.190 nan 0.000 0.428 61 S N 3.767 119.240 115.700 -0.378 0.000 2.588 61 S HA 0.930 5.400 4.470 -0.000 0.000 0.275 61 S C -1.421 173.183 174.600 0.006 0.000 1.130 61 S CA -0.718 57.274 58.200 -0.346 0.000 0.855 61 S CB 2.418 65.410 63.200 -0.347 0.000 1.116 61 S HN 1.189 nan 8.310 nan 0.000 0.472 62 W N 0.022 121.190 121.300 -0.221 0.000 2.988 62 W HA 0.743 5.403 4.660 -0.000 0.000 0.355 62 W C -1.306 175.135 176.519 -0.130 0.000 1.233 62 W CA -1.240 55.996 57.345 -0.182 0.000 1.176 62 W CB 0.525 29.834 29.460 -0.252 0.000 1.477 62 W HN 0.743 nan 8.180 nan 0.000 0.582 63 R N 1.220 121.817 120.500 0.162 0.000 2.441 63 R HA 0.397 4.737 4.340 -0.000 0.000 0.284 63 R C -1.098 175.357 176.300 0.258 0.000 1.070 63 R CA -0.760 55.424 56.100 0.140 0.000 1.047 63 R CB 0.840 31.227 30.300 0.146 0.000 1.016 63 R HN 0.394 nan 8.270 nan 0.000 0.477 64 F N 4.562 124.544 119.950 0.054 0.000 2.371 64 F HA 0.295 4.822 4.527 0.000 0.000 0.363 64 F C -0.655 175.302 175.800 0.262 0.000 1.122 64 F CA -1.183 56.902 58.000 0.142 0.000 1.129 64 F CB 0.237 39.206 39.000 -0.051 0.000 1.173 64 F HN 0.284 nan 8.300 nan 0.000 0.489 65 L N 5.485 126.872 121.223 0.273 0.000 2.395 65 L HA 0.305 4.645 4.340 -0.000 0.000 0.269 65 L C 1.662 178.661 176.870 0.214 0.000 1.133 65 L CA -0.179 54.822 54.840 0.268 0.000 0.812 65 L CB 0.989 43.218 42.059 0.283 0.000 1.125 65 L HN 0.804 nan 8.230 nan 0.000 0.452 66 G N -0.053 108.949 108.800 0.337 0.000 2.535 66 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 66 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 66 G C 1.245 175.999 174.900 -0.243 0.000 1.122 66 G CA 1.012 45.999 45.100 -0.188 0.000 0.769 66 G HN 0.764 nan 8.290 nan 0.000 0.549 67 T N -1.782 112.729 114.554 -0.072 0.000 3.100 67 T HA 0.225 4.575 4.350 -0.000 0.000 0.253 67 T C 0.583 175.304 174.700 0.034 0.000 1.118 67 T CA -0.015 62.064 62.100 -0.035 0.000 1.058 67 T CB 0.252 69.125 68.868 0.009 0.000 0.953 67 T HN 0.377 nan 8.240 nan 0.000 0.515 68 E N 2.612 122.863 120.200 0.084 0.000 2.191 68 E HA 0.433 4.782 4.350 -0.000 0.000 0.278 68 E C -0.440 176.305 176.600 0.243 0.000 0.972 68 E CA -0.978 55.532 56.400 0.182 0.000 0.804 68 E CB 0.959 30.847 29.700 0.315 0.000 1.110 68 E HN 0.467 nan 8.360 nan 0.000 0.394 69 N N 0.780 119.628 118.700 0.247 0.000 2.448 69 N HA 0.208 4.948 4.740 -0.000 0.000 0.274 69 N C 0.486 176.214 175.510 0.363 0.000 1.239 69 N CA -0.294 52.920 53.050 0.272 0.000 0.982 69 N CB 0.537 39.113 38.487 0.147 0.000 1.199 69 N HN 0.405 nan 8.380 nan 0.000 0.576 70 A N -0.473 122.514 122.820 0.279 0.000 2.125 70 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 70 A C 1.859 179.475 177.584 0.054 0.000 1.156 70 A CA 1.686 53.831 52.037 0.181 0.000 0.671 70 A CB -1.337 17.729 19.000 0.111 0.000 0.794 70 A HN 0.822 nan 8.150 nan 0.000 0.459 71 S N -0.740 114.994 115.700 0.057 0.000 2.561 71 S HA 0.119 4.588 4.470 -0.000 0.000 0.225 71 S C 0.532 175.102 174.600 -0.049 0.000 0.977 71 S CA 0.286 58.486 58.200 -0.000 0.000 0.926 71 S CB -0.755 62.450 63.200 0.008 0.000 0.769 71 S HN 0.145 nan 8.310 nan 0.000 0.533 72 V N 2.534 122.420 119.914 -0.045 0.000 2.637 72 V HA 0.341 4.461 4.120 -0.000 0.000 0.296 72 V C 0.213 176.089 176.094 -0.363 0.000 1.046 72 V CA -0.045 62.144 62.300 -0.184 0.000 1.066 72 V CB 0.498 32.265 31.823 -0.093 0.000 0.968 72 V HN 0.426 nan 8.190 nan 0.000 0.483 73 L N 3.976 124.912 121.223 -0.479 0.000 2.230 73 L HA 0.759 5.099 4.340 -0.000 0.000 0.255 73 L C -1.123 175.321 176.870 -0.710 0.000 1.039 73 L CA -0.603 53.986 54.840 -0.417 0.000 0.846 73 L CB 2.087 44.051 42.059 -0.157 0.000 1.419 73 L HN 0.428 nan 8.230 nan 0.000 0.435 74 F N -0.775 119.211 119.950 0.060 0.000 2.601 74 F HA 0.458 4.985 4.527 -0.000 0.000 0.309 74 F C -0.322 175.451 175.800 -0.044 0.000 1.089 74 F CA -0.832 57.182 58.000 0.023 0.000 0.940 74 F CB 1.791 40.857 39.000 0.110 0.000 1.273 74 F HN 0.244 nan 8.300 nan 0.000 0.450 75 N N 0.997 119.753 118.700 0.093 0.000 2.362 75 N HA 0.623 5.363 4.740 -0.000 0.000 0.298 75 N C -1.313 174.104 175.510 -0.155 0.000 1.048 75 N CA -0.461 52.556 53.050 -0.054 0.000 0.858 75 N CB 2.433 40.919 38.487 -0.002 0.000 1.218 75 N HN 0.251 nan 8.380 nan 0.000 0.488 76 V N 2.776 122.462 119.914 -0.380 0.000 2.435 76 V HA 0.418 4.538 4.120 -0.000 0.000 0.290 76 V C -0.920 174.931 176.094 -0.405 0.000 1.030 76 V CA -0.592 61.464 62.300 -0.406 0.000 0.881 76 V CB 0.454 31.888 31.823 -0.649 0.000 0.983 76 V HN 0.505 nan 8.190 nan 0.000 0.445 77 Y N 3.286 123.494 120.300 -0.154 0.000 2.376 77 Y HA 0.573 5.123 4.550 0.000 0.000 0.340 77 Y C 0.351 176.183 175.900 -0.114 0.000 0.965 77 Y CA -0.639 57.393 58.100 -0.113 0.000 1.078 77 Y CB 1.837 40.228 38.460 -0.114 0.000 1.193 77 Y HN 0.480 nan 8.280 nan 0.000 0.452 78 R N 3.681 124.143 120.500 -0.063 0.000 2.246 78 R HA 0.171 4.511 4.340 -0.000 0.000 0.332 78 R C -0.855 175.323 176.300 -0.204 0.000 0.974 78 R CA -0.168 55.723 56.100 -0.349 0.000 0.837 78 R CB 0.236 30.329 30.300 -0.345 0.000 1.145 78 R HN 0.865 nan 8.270 nan 0.000 0.467 79 D N 3.918 124.186 120.400 -0.220 0.000 2.686 79 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 79 D C 0.692 176.964 176.300 -0.047 0.000 1.160 79 D CA 1.597 55.525 54.000 -0.121 0.000 0.645 79 D CB -0.722 40.005 40.800 -0.122 0.000 1.039 79 D HN 1.100 nan 8.370 nan 0.000 0.423 80 G N -0.320 108.479 108.800 -0.001 0.000 2.225 80 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.254 80 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.254 80 G C 0.278 175.298 174.900 0.199 0.000 0.988 80 G CA 0.460 45.584 45.100 0.041 0.000 0.625 80 G HN 0.436 nan 8.290 nan 0.000 0.527 81 Q N 0.488 120.377 119.800 0.148 0.000 2.290 81 Q HA 0.609 4.949 4.340 -0.000 0.000 0.259 81 Q C 0.182 176.150 176.000 -0.053 0.000 0.941 81 Q CA -0.402 55.452 55.803 0.085 0.000 0.912 81 Q CB 1.382 30.122 28.738 0.004 0.000 1.244 81 Q HN 0.370 nan 8.270 nan 0.000 0.441 82 K N 2.756 122.998 120.400 -0.262 0.000 2.350 82 K HA 0.100 4.420 4.320 -0.000 0.000 0.279 82 K C 0.035 176.428 176.600 -0.345 0.000 1.027 82 K CA 0.150 56.020 56.287 -0.694 0.000 0.969 82 K CB 0.416 32.492 32.500 -0.707 0.000 0.954 82 K HN 0.688 nan 8.250 nan 0.000 0.474 83 L N 2.583 123.592 121.223 -0.357 0.000 2.357 83 L HA 0.025 4.365 4.340 -0.000 0.000 0.211 83 L C 0.573 177.386 176.870 -0.095 0.000 1.075 83 L CA -0.095 54.644 54.840 -0.167 0.000 0.830 83 L CB -0.204 41.765 42.059 -0.150 0.000 0.996 83 L HN 0.677 nan 8.230 nan 0.000 0.467 84 N N 0.816 119.401 118.700 -0.193 0.000 2.419 84 N HA 0.219 4.959 4.740 -0.000 0.000 0.277 84 N C 0.505 175.973 175.510 -0.070 0.000 1.006 84 N CA 0.225 53.237 53.050 -0.062 0.000 0.923 84 N CB 2.137 40.586 38.487 -0.062 0.000 1.140 84 N HN -0.061 nan 8.380 nan 0.000 0.488 85 A N 2.120 124.928 122.820 -0.019 0.000 1.930 85 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 85 A C 0.993 178.564 177.584 -0.022 0.000 1.175 85 A CA 1.345 53.368 52.037 -0.023 0.000 0.627 85 A CB -0.377 18.620 19.000 -0.005 0.000 0.815 85 A HN 0.900 nan 8.150 nan 0.000 0.443 86 A N -0.557 122.259 122.820 -0.007 0.000 2.350 86 A HA 0.664 4.984 4.320 -0.000 0.000 0.324 86 A C -2.933 174.652 177.584 0.001 0.000 1.118 86 A CA -1.993 50.041 52.037 -0.004 0.000 0.783 86 A CB 0.547 19.550 19.000 0.004 0.000 1.236 86 A HN 0.088 nan 8.150 nan 0.000 0.457 87 P HA 0.194 nan 4.420 nan 0.000 0.264 87 P C -0.028 177.299 177.300 0.045 0.000 1.183 87 P CA 0.181 63.286 63.100 0.009 0.000 0.763 87 P CB 0.458 32.149 31.700 -0.015 0.000 0.807 88 V N 1.297 121.277 119.914 0.110 0.000 2.716 88 V HA 0.380 4.500 4.120 -0.000 0.000 0.304 88 V C 1.209 177.414 176.094 0.186 0.000 1.053 88 V CA -0.305 62.089 62.300 0.156 0.000 0.984 88 V CB 1.879 33.843 31.823 0.236 0.000 1.021 88 V HN 0.473 nan 8.190 nan 0.000 0.467 89 K N 1.009 121.476 120.400 0.111 0.000 2.141 89 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 89 K C 0.818 177.458 176.600 0.067 0.000 1.045 89 K CA 0.799 57.120 56.287 0.056 0.000 0.971 89 K CB 0.036 32.513 32.500 -0.039 0.000 0.795 89 K HN 0.894 nan 8.250 nan 0.000 0.459 90 T N 1.278 115.835 114.554 0.004 0.000 2.900 90 T HA 0.001 4.351 4.350 -0.000 0.000 0.307 90 T C 0.634 175.165 174.700 -0.282 0.000 1.065 90 T CA 0.060 62.089 62.100 -0.118 0.000 1.105 90 T CB 1.352 70.154 68.868 -0.111 0.000 0.979 90 T HN 0.329 nan 8.240 nan 0.000 0.544 91 T N -0.466 113.734 114.554 -0.589 0.000 3.273 91 T HA 0.202 4.552 4.350 -0.000 0.000 0.254 91 T C 0.265 173.946 174.700 -1.699 0.000 1.002 91 T CA -0.905 60.316 62.100 -1.466 0.000 0.913 91 T CB -0.693 67.536 68.868 -1.064 0.000 1.056 91 T HN 0.716 nan 8.240 nan 0.000 0.576 92 N N 0.090 118.167 118.700 -1.039 0.000 2.329 92 N HA 0.431 5.171 4.740 -0.000 0.000 0.282 92 N C -1.913 173.385 175.510 -0.353 0.000 1.198 92 N CA -0.909 51.668 53.050 -0.789 0.000 0.790 92 N CB 1.909 40.069 38.487 -0.545 0.000 1.579 92 N HN 0.229 nan 8.380 nan 0.000 0.475 93 Y N -0.015 119.996 120.300 -0.482 0.000 2.436 93 Y HA 0.447 4.997 4.550 -0.000 0.000 0.327 93 Y C -1.815 173.910 175.900 -0.291 0.000 1.138 93 Y CA -0.730 57.237 58.100 -0.221 0.000 1.042 93 Y CB 1.720 40.188 38.460 0.014 0.000 1.302 93 Y HN 0.417 nan 8.280 nan 0.000 0.439 94 V N 5.119 124.730 119.914 -0.505 0.000 2.347 94 V HA 0.223 4.343 4.120 -0.000 0.000 0.280 94 V C -0.763 175.170 176.094 -0.269 0.000 1.021 94 V CA -0.582 61.556 62.300 -0.270 0.000 0.847 94 V CB 1.316 33.050 31.823 -0.148 0.000 0.990 94 V HN 0.700 nan 8.190 nan 0.000 0.444 95 D N 4.135 124.544 120.400 0.015 0.000 2.411 95 D HA 0.216 4.856 4.640 -0.000 0.000 0.225 95 D C 0.913 177.267 176.300 0.090 0.000 1.156 95 D CA -0.409 53.689 54.000 0.164 0.000 0.874 95 D CB 1.494 42.487 40.800 0.322 0.000 1.034 95 D HN 0.321 nan 8.370 nan 0.000 0.502 96 K N 2.466 122.894 120.400 0.046 0.000 2.280 96 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 96 K C 0.582 177.216 176.600 0.056 0.000 1.047 96 K CA 1.057 57.363 56.287 0.033 0.000 0.942 96 K CB 0.010 32.515 32.500 0.008 0.000 0.739 96 K HN 0.426 nan 8.250 nan 0.000 0.457 97 N N -0.889 117.860 118.700 0.082 0.000 2.203 97 N HA 0.138 4.878 4.740 -0.000 0.000 0.207 97 N C 0.036 175.603 175.510 0.095 0.000 1.130 97 N CA -0.084 53.011 53.050 0.075 0.000 0.861 97 N CB 1.054 39.578 38.487 0.062 0.000 1.005 97 N HN 0.090 nan 8.380 nan 0.000 0.507 98 G N 0.217 109.104 108.800 0.145 0.000 2.539 98 G HA2 0.417 4.377 3.960 -0.000 0.000 0.258 98 G HA3 0.417 4.377 3.960 -0.000 0.000 0.258 98 G C -0.011 174.969 174.900 0.135 0.000 1.202 98 G CA -0.235 44.978 45.100 0.190 0.000 0.851 98 G HN 0.177 nan 8.290 nan 0.000 0.556 99 S N -0.945 114.829 115.700 0.124 0.000 2.732 99 S HA 0.654 5.124 4.470 -0.000 0.000 0.293 99 S C 1.296 175.961 174.600 0.108 0.000 1.159 99 S CA 0.109 58.366 58.200 0.094 0.000 0.847 99 S CB 1.393 64.629 63.200 0.060 0.000 1.169 99 S HN 1.341 nan 8.310 nan 0.000 0.501 100 A N 0.295 123.167 122.820 0.087 0.000 2.024 100 A HA 0.186 4.506 4.320 -0.000 0.000 0.220 100 A C 1.848 179.485 177.584 0.088 0.000 1.164 100 A CA 1.707 53.799 52.037 0.091 0.000 0.643 100 A CB -1.509 17.532 19.000 0.069 0.000 0.806 100 A HN 1.297 nan 8.150 nan 0.000 0.451 101 G N -1.051 107.788 108.800 0.065 0.000 3.042 101 G HA2 0.302 4.262 3.960 -0.000 0.000 0.212 101 G HA3 0.302 4.262 3.960 -0.000 0.000 0.212 101 G C 0.507 175.425 174.900 0.029 0.000 1.166 101 G CA 0.443 45.571 45.100 0.046 0.000 0.767 101 G HN 0.383 nan 8.290 nan 0.000 0.546 102 S N 0.444 116.164 115.700 0.034 0.000 2.585 102 S HA 0.471 4.941 4.470 -0.000 0.000 0.273 102 S C 0.506 175.064 174.600 -0.070 0.000 1.339 102 S CA 0.006 58.168 58.200 -0.064 0.000 1.028 102 S CB 1.217 64.365 63.200 -0.086 0.000 0.906 102 S HN 0.509 nan 8.310 nan 0.000 0.528 103 T N 0.156 114.572 114.554 -0.231 0.000 2.893 103 T HA 0.707 5.057 4.350 -0.000 0.000 0.291 103 T C -1.352 173.127 174.700 -0.368 0.000 1.028 103 T CA -0.654 61.365 62.100 -0.135 0.000 0.995 103 T CB 0.705 69.547 68.868 -0.043 0.000 1.051 103 T HN 0.440 nan 8.240 nan 0.000 0.470 104 Y N 0.581 120.881 120.300 0.000 0.000 2.499 104 Y HA 0.678 5.228 4.550 -0.000 0.000 0.347 104 Y C 0.769 176.642 175.900 -0.045 0.000 0.987 104 Y CA -0.707 57.379 58.100 -0.022 0.000 1.044 104 Y CB 2.762 41.199 38.460 -0.038 0.000 1.245 104 Y HN 1.076 nan 8.280 nan 0.000 0.461 105 T N -1.208 113.398 114.554 0.086 0.000 2.906 105 T HA 0.844 5.193 4.350 -0.000 0.000 0.295 105 T C -1.447 173.216 174.700 -0.062 0.000 1.075 105 T CA -0.855 61.238 62.100 -0.013 0.000 1.005 105 T CB 1.591 70.416 68.868 -0.072 0.000 1.136 105 T HN 0.357 nan 8.240 nan 0.000 0.498 106 V N 1.207 121.013 119.914 -0.181 0.000 2.735 106 V HA 0.648 4.768 4.120 -0.000 0.000 0.310 106 V C -0.442 175.576 176.094 -0.127 0.000 1.061 106 V CA -1.026 61.095 62.300 -0.299 0.000 0.913 106 V CB 2.054 33.358 31.823 -0.865 0.000 1.005 106 V HN 0.871 nan 8.190 nan 0.000 0.428 107 R N 2.526 123.025 120.500 -0.001 0.000 2.480 107 R HA 0.744 5.084 4.340 -0.000 0.000 0.306 107 R C -0.328 176.039 176.300 0.112 0.000 0.958 107 R CA -0.511 55.614 56.100 0.041 0.000 0.861 107 R CB 2.039 32.356 30.300 0.028 0.000 1.171 107 R HN 0.834 nan 8.270 nan 0.000 0.445 108 A N 2.729 125.613 122.820 0.107 0.000 2.462 108 A HA 0.310 4.629 4.320 -0.000 0.000 0.243 108 A C 0.023 177.541 177.584 -0.109 0.000 1.076 108 A CA -0.259 51.744 52.037 -0.057 0.000 0.773 108 A CB 0.578 19.569 19.000 -0.015 0.000 1.010 108 A HN 0.455 nan 8.150 nan 0.000 0.493 109 V N 4.016 123.801 119.914 -0.215 0.000 2.313 109 V HA 0.324 4.443 4.120 -0.000 0.000 0.278 109 V C -0.371 175.639 176.094 -0.140 0.000 1.017 109 V CA -0.379 61.844 62.300 -0.129 0.000 0.823 109 V CB 1.146 32.910 31.823 -0.098 0.000 1.010 109 V HN 0.595 nan 8.190 nan 0.000 0.443 110 V N 5.356 125.220 119.914 -0.083 0.000 2.357 110 V HA 0.428 4.548 4.120 -0.000 0.000 0.284 110 V C 0.408 176.480 176.094 -0.037 0.000 1.018 110 V CA -0.776 61.489 62.300 -0.059 0.000 0.841 110 V CB 1.175 32.978 31.823 -0.033 0.000 0.991 110 V HN 0.982 nan 8.190 nan 0.000 0.437 111 N N 4.339 123.019 118.700 -0.034 0.000 2.716 111 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 111 N C 1.248 176.745 175.510 -0.023 0.000 1.033 111 N CA 1.563 54.599 53.050 -0.023 0.000 0.727 111 N CB -1.132 37.347 38.487 -0.013 0.000 0.950 111 N HN 1.471 nan 8.380 nan 0.000 0.541 112 G N -2.232 106.549 108.800 -0.030 0.000 2.205 112 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 112 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 112 G C 0.188 175.076 174.900 -0.020 0.000 0.980 112 G CA 1.045 46.131 45.100 -0.024 0.000 0.632 112 G HN 1.211 nan 8.290 nan 0.000 0.533 113 T N -1.506 113.035 114.554 -0.022 0.000 2.795 113 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 113 T C -0.239 174.449 174.700 -0.019 0.000 0.980 113 T CA -0.295 61.796 62.100 -0.016 0.000 1.012 113 T CB 2.595 71.455 68.868 -0.013 0.000 0.936 113 T HN 0.315 nan 8.240 nan 0.000 0.457 114 E N 2.445 122.639 120.200 -0.011 0.000 2.316 114 E HA 0.151 4.501 4.350 -0.000 0.000 0.275 114 E C 0.070 176.661 176.600 -0.016 0.000 1.029 114 E CA -0.661 55.734 56.400 -0.008 0.000 0.871 114 E CB 0.542 30.248 29.700 0.010 0.000 1.022 114 E HN 0.517 nan 8.360 nan 0.000 0.418 115 Q N 3.104 122.895 119.800 -0.015 0.000 2.199 115 Q HA 0.368 4.708 4.340 -0.000 0.000 0.232 115 Q C -2.237 173.749 176.000 -0.025 0.000 0.969 115 Q CA -2.292 53.504 55.803 -0.012 0.000 0.925 115 Q CB 0.040 28.780 28.738 0.005 0.000 1.198 115 Q HN 0.416 nan 8.270 nan 0.000 0.494 116 P HA -0.005 nan 4.420 nan 0.000 0.267 116 P C -0.941 176.328 177.300 -0.052 0.000 1.200 116 P CA 0.227 63.302 63.100 -0.041 0.000 0.772 116 P CB 0.341 32.026 31.700 -0.024 0.000 0.855 117 A N 2.881 125.647 122.820 -0.090 0.000 2.483 117 A HA 0.345 4.665 4.320 -0.000 0.000 0.238 117 A C 0.829 178.374 177.584 -0.065 0.000 1.070 117 A CA 0.059 52.030 52.037 -0.110 0.000 0.770 117 A CB -0.522 18.380 19.000 -0.164 0.000 1.008 117 A HN 0.634 nan 8.150 nan 0.000 0.497 118 S N 1.990 117.651 115.700 -0.065 0.000 2.587 118 S HA 0.158 4.628 4.470 -0.000 0.000 0.260 118 S C 0.136 174.717 174.600 -0.033 0.000 1.353 118 S CA -0.498 57.678 58.200 -0.041 0.000 0.995 118 S CB 0.189 63.350 63.200 -0.065 0.000 0.912 118 S HN 0.688 nan 8.310 nan 0.000 0.568 119 E N 1.064 121.258 120.200 -0.011 0.000 2.467 119 E HA 0.038 4.388 4.350 -0.000 0.000 0.264 119 E C -0.056 176.546 176.600 0.003 0.000 1.020 119 E CA 0.349 56.749 56.400 -0.000 0.000 0.945 119 E CB 0.290 30.000 29.700 0.016 0.000 0.942 119 E HN 0.527 nan 8.360 nan 0.000 0.449 120 K N 0.723 121.128 120.400 0.008 0.000 2.401 120 K HA 0.283 4.603 4.320 -0.000 0.000 0.278 120 K C -0.277 176.359 176.600 0.059 0.000 1.018 120 K CA -0.119 56.182 56.287 0.023 0.000 0.981 120 K CB 0.779 33.286 32.500 0.012 0.000 0.933 120 K HN 0.448 nan 8.250 nan 0.000 0.477 121 A N 2.170 125.048 122.820 0.096 0.000 2.287 121 A HA 0.359 4.679 4.320 -0.000 0.000 0.317 121 A C -0.115 177.579 177.584 0.184 0.000 1.220 121 A CA -0.746 51.373 52.037 0.136 0.000 0.835 121 A CB 0.779 19.852 19.000 0.122 0.000 1.180 121 A HN 0.720 nan 8.150 nan 0.000 0.500 122 S N 1.436 117.245 115.700 0.181 0.000 2.652 122 S HA 0.570 5.040 4.470 -0.000 0.000 0.270 122 S C 0.029 174.786 174.600 0.262 0.000 1.243 122 S CA -0.622 57.695 58.200 0.196 0.000 0.999 122 S CB 1.096 64.389 63.200 0.155 0.000 0.973 122 S HN 0.719 nan 8.310 nan 0.000 0.544 123 V N 2.283 122.347 119.914 0.250 0.000 2.488 123 V HA 0.122 4.241 4.120 -0.000 0.000 0.277 123 V C -0.107 176.186 176.094 0.331 0.000 1.046 123 V CA -0.599 61.850 62.300 0.248 0.000 0.986 123 V CB -0.349 31.601 31.823 0.213 0.000 0.989 123 V HN 0.831 nan 8.190 nan 0.000 0.475 124 W N 3.221 124.556 121.300 0.059 0.000 2.257 124 W HA 0.263 4.922 4.660 -0.000 0.000 0.337 124 W C 1.301 177.821 176.519 0.001 0.000 1.321 124 W CA -0.095 57.273 57.345 0.038 0.000 1.267 124 W CB -0.110 29.366 29.460 0.026 0.000 1.187 124 W HN 0.720 nan 8.180 nan 0.000 0.565 125 A N 2.451 125.359 122.820 0.148 0.000 1.969 125 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 125 A C 0.997 178.568 177.584 -0.022 0.000 1.169 125 A CA 1.197 53.259 52.037 0.041 0.000 0.635 125 A CB -0.107 18.884 19.000 -0.015 0.000 0.810 125 A HN 0.562 nan 8.150 nan 0.000 0.445 126 Q N -2.375 117.364 119.800 -0.101 0.000 2.552 126 Q HA 0.350 4.690 4.340 -0.000 0.000 0.289 126 Q C -2.320 173.612 176.000 -0.113 0.000 1.097 126 Q CA -2.048 53.581 55.803 -0.289 0.000 0.812 126 Q CB 0.598 28.794 28.738 -0.903 0.000 1.460 126 Q HN -0.022 nan 8.270 nan 0.000 0.452 127 P HA -0.063 nan 4.420 nan 0.000 0.230 127 P C -0.533 176.910 177.300 0.239 0.000 1.158 127 P CA 1.289 64.471 63.100 0.137 0.000 0.769 127 P CB -0.015 31.826 31.700 0.235 0.000 0.807 128 Y N -3.086 117.229 120.300 0.026 0.000 2.598 128 Y HA 0.711 5.261 4.550 -0.000 0.000 0.340 128 Y C -0.286 175.428 175.900 -0.310 0.000 1.038 128 Y CA -2.221 55.751 58.100 -0.213 0.000 1.100 128 Y CB 0.411 38.305 38.460 -0.944 0.000 1.281 128 Y HN -0.247 nan 8.280 nan 0.000 0.488 129 H N 0.385 119.111 119.070 -0.574 0.000 2.504 129 H HA 0.593 5.149 4.556 -0.000 0.000 0.322 129 H C -1.144 174.028 175.328 -0.261 0.000 1.055 129 H CA -0.473 55.076 56.048 -0.831 0.000 1.231 129 H CB 1.192 30.083 29.762 -1.453 0.000 1.417 129 H HN 0.751 nan 8.280 nan 0.000 0.472 130 S N 4.264 119.584 115.700 -0.633 0.000 2.513 130 S HA 0.300 4.770 4.470 -0.000 0.000 0.276 130 S C -0.647 173.611 174.600 -0.571 0.000 1.254 130 S CA -0.800 57.164 58.200 -0.393 0.000 1.053 130 S CB 0.949 64.051 63.200 -0.164 0.000 0.958 130 S HN 0.474 nan 8.310 nan 0.000 0.491 131 V N 6.666 126.386 119.914 -0.324 0.000 2.313 131 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 131 V C -2.089 173.867 176.094 -0.231 0.000 1.017 131 V CA -2.084 60.071 62.300 -0.242 0.000 0.823 131 V CB 0.930 32.653 31.823 -0.166 0.000 1.010 131 V HN 0.660 nan 8.190 nan 0.000 0.443 132 P HA 0.258 nan 4.420 nan 0.000 0.271 132 P C -0.742 176.445 177.300 -0.188 0.000 1.216 132 P CA -0.006 63.016 63.100 -0.130 0.000 0.776 132 P CB 1.219 32.882 31.700 -0.062 0.000 0.881 133 L N 1.873 123.017 121.223 -0.132 0.000 2.334 133 L HA 0.391 4.731 4.340 -0.000 0.000 0.270 133 L C 0.656 177.608 176.870 0.137 0.000 1.018 133 L CA -0.728 54.056 54.840 -0.094 0.000 0.811 133 L CB 1.188 43.275 42.059 0.047 0.000 1.271 133 L HN 0.256 nan 8.230 nan 0.000 0.443 134 D N 2.107 122.689 120.400 0.304 0.000 2.494 134 D HA 0.061 4.701 4.640 -0.000 0.000 0.217 134 D C -0.117 176.164 176.300 -0.032 0.000 1.153 134 D CA -0.278 53.809 54.000 0.145 0.000 0.954 134 D CB 0.392 41.274 40.800 0.136 0.000 1.034 134 D HN 0.237 nan 8.370 nan 0.000 0.518 135 K N 4.037 124.378 120.400 -0.099 0.000 2.412 135 K HA 0.207 4.527 4.320 -0.000 0.000 0.284 135 K C -2.213 174.096 176.600 -0.486 0.000 1.046 135 K CA -1.314 54.738 56.287 -0.392 0.000 0.999 135 K CB 0.519 32.962 32.500 -0.095 0.000 0.941 135 K HN 0.242 nan 8.250 nan 0.000 0.474 136 P HA 0.059 nan 4.420 nan 0.000 0.275 136 P C -1.104 176.053 177.300 -0.239 0.000 1.227 136 P CA -0.380 62.364 63.100 -0.593 0.000 0.781 136 P CB 1.120 32.197 31.700 -1.037 0.000 0.906 137 A N 2.849 125.590 122.820 -0.132 0.000 2.425 137 A HA 0.500 4.820 4.320 -0.000 0.000 0.242 137 A C 1.050 178.673 177.584 0.066 0.000 1.077 137 A CA 0.310 52.324 52.037 -0.038 0.000 0.781 137 A CB -0.486 18.478 19.000 -0.059 0.000 1.020 137 A HN 0.625 nan 8.150 nan 0.000 0.494 138 G N -0.422 108.368 108.800 -0.016 0.000 2.653 138 G HA2 0.536 4.496 3.960 -0.000 0.000 0.265 138 G HA3 0.536 4.496 3.960 -0.000 0.000 0.265 138 G C 0.313 174.987 174.900 -0.376 0.000 1.237 138 G CA 0.161 45.142 45.100 -0.199 0.000 0.946 138 G HN 1.420 nan 8.290 nan 0.000 0.522 139 G N -1.889 106.339 108.800 -0.953 0.000 2.870 139 G HA2 0.738 4.698 3.960 -0.000 0.000 0.299 139 G HA3 0.738 4.698 3.960 -0.000 0.000 0.299 139 G C -0.795 173.641 174.900 -0.774 0.000 1.324 139 G CA 0.243 44.894 45.100 -0.747 0.000 0.808 139 G HN 1.226 nan 8.290 nan 0.000 0.535 140 T N -2.083 112.308 114.554 -0.272 0.000 2.912 140 T HA 0.664 5.014 4.350 -0.000 0.000 0.299 140 T C 0.242 175.021 174.700 0.132 0.000 1.052 140 T CA 0.018 62.090 62.100 -0.047 0.000 0.996 140 T CB 1.393 70.223 68.868 -0.063 0.000 1.070 140 T HN 1.109 nan 8.240 nan 0.000 0.465 141 T N -0.518 114.124 114.554 0.146 0.000 2.824 141 T HA 0.443 4.793 4.350 -0.000 0.000 0.277 141 T C -1.705 172.926 174.700 -0.115 0.000 0.975 141 T CA -1.667 60.458 62.100 0.041 0.000 0.966 141 T CB 0.143 69.032 68.868 0.035 0.000 1.054 141 T HN 0.326 nan 8.240 nan 0.000 0.533 142 P HA -0.004 nan 4.420 nan 0.000 0.223 142 P C 1.076 178.208 177.300 -0.281 0.000 1.144 142 P CA 0.803 63.703 63.100 -0.334 0.000 0.783 142 P CB 0.088 31.450 31.700 -0.563 0.000 0.771 143 K N -1.872 118.366 120.400 -0.271 0.000 2.404 143 K HA 0.234 4.554 4.320 -0.000 0.000 0.194 143 K C 1.364 177.931 176.600 -0.055 0.000 1.023 143 K CA 0.730 56.943 56.287 -0.123 0.000 1.094 143 K CB -0.381 32.092 32.500 -0.044 0.000 0.841 143 K HN 0.186 nan 8.250 nan 0.000 0.523 144 G N 2.051 110.818 108.800 -0.054 0.000 2.157 144 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 144 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 144 G C -0.084 174.812 174.900 -0.006 0.000 0.979 144 G CA 0.268 45.351 45.100 -0.029 0.000 0.650 144 G HN 0.417 nan 8.290 nan 0.000 0.529 145 E N 1.456 121.668 120.200 0.020 0.000 2.290 145 E HA 0.473 4.823 4.350 -0.000 0.000 0.277 145 E C 0.997 177.641 176.600 0.073 0.000 1.035 145 E CA 0.227 56.658 56.400 0.051 0.000 0.873 145 E CB 0.359 30.107 29.700 0.080 0.000 1.029 145 E HN 0.512 nan 8.360 nan 0.000 0.419 146 S N 4.037 119.752 115.700 0.025 0.000 2.584 146 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 146 S C -0.632 173.991 174.600 0.038 0.000 1.311 146 S CA -0.598 57.578 58.200 -0.041 0.000 1.034 146 S CB 0.465 63.620 63.200 -0.075 0.000 0.939 146 S HN 0.513 nan 8.310 nan 0.000 0.513 147 Y N -1.444 118.807 120.300 -0.082 0.000 2.571 147 Y HA 0.792 5.342 4.550 -0.000 0.000 0.341 147 Y C -0.389 175.407 175.900 -0.174 0.000 1.076 147 Y CA -0.932 57.089 58.100 -0.131 0.000 1.029 147 Y CB 0.919 39.274 38.460 -0.175 0.000 1.308 147 Y HN 0.875 nan 8.280 nan 0.000 0.461 148 T N -1.651 112.887 114.554 -0.027 0.000 2.910 148 T HA 0.647 4.997 4.350 -0.000 0.000 0.287 148 T C -1.556 173.078 174.700 -0.110 0.000 1.050 148 T CA -0.901 61.158 62.100 -0.068 0.000 1.011 148 T CB 1.663 70.531 68.868 0.001 0.000 1.195 148 T HN 0.648 nan 8.240 nan 0.000 0.540 149 Y N 0.646 121.026 120.300 0.134 0.000 2.446 149 Y HA 0.598 5.148 4.550 -0.000 0.000 0.338 149 Y C 0.759 176.826 175.900 0.279 0.000 1.055 149 Y CA -0.504 57.718 58.100 0.204 0.000 1.101 149 Y CB 2.165 40.682 38.460 0.095 0.000 1.221 149 Y HN 0.994 nan 8.280 nan 0.000 0.460 150 S N 1.174 117.192 115.700 0.531 0.000 2.542 150 S HA 0.867 5.337 4.470 -0.000 0.000 0.293 150 S C -0.747 174.081 174.600 0.380 0.000 1.089 150 S CA -1.123 57.333 58.200 0.426 0.000 0.961 150 S CB 1.600 64.926 63.200 0.211 0.000 1.062 150 S HN 0.874 nan 8.310 nan 0.000 0.483 151 A N 2.344 125.196 122.820 0.054 0.000 2.477 151 A HA 0.445 4.765 4.320 -0.000 0.000 0.246 151 A C 0.513 177.981 177.584 -0.193 0.000 1.078 151 A CA -0.356 51.397 52.037 -0.473 0.000 0.770 151 A CB -0.271 18.399 19.000 -0.550 0.000 1.011 151 A HN 0.934 nan 8.150 nan 0.000 0.494 152 N N 0.283 118.857 118.700 -0.210 0.000 3.464 152 N HA 0.136 4.876 4.740 -0.000 0.000 0.335 152 N C -1.091 174.399 175.510 -0.033 0.000 1.489 152 N CA -0.625 52.393 53.050 -0.054 0.000 0.652 152 N CB 0.683 39.189 38.487 0.032 0.000 2.334 152 N HN 0.626 nan 8.380 nan 0.000 0.560 153 D N 0.912 121.352 120.400 0.066 0.000 2.423 153 D HA 0.373 5.013 4.640 -0.000 0.000 0.238 153 D C -0.412 176.015 176.300 0.212 0.000 1.142 153 D CA 0.325 54.407 54.000 0.136 0.000 0.884 153 D CB 1.062 42.000 40.800 0.229 0.000 1.199 153 D HN 0.531 nan 8.370 nan 0.000 0.438 154 A N 1.070 123.992 122.820 0.169 0.000 2.387 154 A HA 0.695 5.015 4.320 -0.000 0.000 0.303 154 A C -0.252 177.441 177.584 0.181 0.000 1.145 154 A CA -0.524 51.648 52.037 0.226 0.000 0.801 154 A CB 2.042 21.081 19.000 0.065 0.000 1.342 154 A HN 0.401 nan 8.150 nan 0.000 0.440 155 S N -1.840 113.999 115.700 0.231 0.000 2.732 155 S HA 0.799 5.269 4.470 -0.000 0.000 0.293 155 S C -1.135 173.511 174.600 0.076 0.000 1.159 155 S CA 0.179 58.427 58.200 0.079 0.000 0.847 155 S CB 1.488 64.715 63.200 0.045 0.000 1.169 155 S HN 1.977 nan 8.310 nan 0.000 0.501 156 V N -0.747 119.167 119.914 0.001 0.000 2.962 156 V HA 1.061 5.181 4.120 -0.000 0.000 0.313 156 V C -0.014 176.121 176.094 0.069 0.000 1.099 156 V CA -0.219 62.074 62.300 -0.011 0.000 0.971 156 V CB 1.021 32.684 31.823 -0.267 0.000 1.028 156 V HN 1.239 nan 8.190 nan 0.000 0.430 157 G N 0.700 109.631 108.800 0.218 0.000 2.703 157 G HA2 0.515 4.475 3.960 -0.000 0.000 0.294 157 G HA3 0.515 4.475 3.960 -0.000 0.000 0.294 157 G C -2.171 172.927 174.900 0.330 0.000 1.451 157 G CA -0.491 44.781 45.100 0.287 0.000 0.869 157 G HN 0.886 nan 8.290 nan 0.000 0.516 158 D N 1.083 121.627 120.400 0.241 0.000 2.441 158 D HA 0.264 4.904 4.640 -0.000 0.000 0.221 158 D C 1.624 177.987 176.300 0.104 0.000 1.156 158 D CA -0.226 53.836 54.000 0.104 0.000 0.896 158 D CB 1.319 42.089 40.800 -0.050 0.000 1.028 158 D HN 0.426 nan 8.370 nan 0.000 0.509 159 V N 1.478 121.469 119.914 0.129 0.000 3.129 159 V HA 0.049 4.169 4.120 -0.000 0.000 0.259 159 V C 0.899 177.063 176.094 0.118 0.000 1.116 159 V CA 1.329 63.718 62.300 0.148 0.000 1.127 159 V CB -0.184 31.762 31.823 0.205 0.000 0.742 159 V HN 0.479 nan 8.190 nan 0.000 0.474 160 D N -0.319 120.134 120.400 0.089 0.000 2.469 160 D HA 0.248 4.888 4.640 -0.000 0.000 0.213 160 D C 1.556 177.886 176.300 0.050 0.000 1.135 160 D CA 0.466 54.509 54.000 0.071 0.000 0.834 160 D CB 0.228 41.069 40.800 0.068 0.000 1.009 160 D HN 0.873 nan 8.370 nan 0.000 0.507 161 G N 2.203 111.026 108.800 0.038 0.000 2.147 161 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 161 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 161 G C 0.435 175.341 174.900 0.010 0.000 1.005 161 G CA 0.479 45.593 45.100 0.023 0.000 0.713 161 G HN 0.524 nan 8.290 nan 0.000 0.515 162 D N -0.473 119.929 120.400 0.002 0.000 2.339 162 D HA 0.347 4.987 4.640 -0.000 0.000 0.217 162 D C 1.768 178.053 176.300 -0.024 0.000 1.050 162 D CA 0.564 54.563 54.000 -0.001 0.000 0.856 162 D CB -0.490 40.316 40.800 0.010 0.000 0.922 162 D HN 1.559 nan 8.370 nan 0.000 0.518 163 G N 0.374 109.136 108.800 -0.064 0.000 2.157 163 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.248 163 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.248 163 G C -0.059 174.732 174.900 -0.182 0.000 0.979 163 G CA 0.284 45.314 45.100 -0.115 0.000 0.650 163 G HN 0.641 nan 8.290 nan 0.000 0.529 164 Q N -0.237 119.475 119.800 -0.148 0.000 2.333 164 Q HA 0.623 4.963 4.340 -0.000 0.000 0.267 164 Q C -0.579 175.354 176.000 -0.112 0.000 1.012 164 Q CA -1.087 54.643 55.803 -0.121 0.000 0.824 164 Q CB 1.061 29.793 28.738 -0.009 0.000 1.290 164 Q HN 0.219 nan 8.270 nan 0.000 0.449 165 Y N 1.876 122.212 120.300 0.061 0.000 2.411 165 Y HA 0.105 4.655 4.550 -0.000 0.000 0.333 165 Y C 0.214 176.154 175.900 0.067 0.000 1.186 165 Y CA 0.141 58.279 58.100 0.063 0.000 1.381 165 Y CB 0.697 39.197 38.460 0.068 0.000 1.273 165 Y HN 0.610 nan 8.280 nan 0.000 0.546 166 E N 1.850 122.201 120.200 0.252 0.000 2.283 166 E HA 0.455 4.805 4.350 -0.000 0.000 0.271 166 E C -1.113 175.581 176.600 0.155 0.000 1.031 166 E CA -0.559 55.940 56.400 0.164 0.000 0.868 166 E CB 0.796 30.563 29.700 0.111 0.000 1.094 166 E HN 0.442 nan 8.360 nan 0.000 0.401 167 L N 2.720 124.013 121.223 0.117 0.000 2.275 167 L HA 0.367 4.707 4.340 -0.000 0.000 0.288 167 L C -0.598 176.306 176.870 0.057 0.000 1.046 167 L CA -0.631 54.267 54.840 0.095 0.000 0.805 167 L CB 0.668 42.779 42.059 0.088 0.000 1.193 167 L HN 0.295 nan 8.230 nan 0.000 0.426 168 I N 5.097 125.714 120.570 0.077 0.000 2.328 168 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 168 I C -0.368 175.774 176.117 0.043 0.000 1.012 168 I CA -0.475 60.846 61.300 0.034 0.000 1.195 168 I CB 1.393 39.509 38.000 0.193 0.000 1.350 168 I HN 0.355 nan 8.210 nan 0.000 0.464 169 L N 7.350 128.510 121.223 -0.106 0.000 2.322 169 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 169 L C -0.105 176.561 176.870 -0.339 0.000 1.014 169 L CA -0.329 54.400 54.840 -0.184 0.000 0.815 169 L CB 1.328 43.250 42.059 -0.228 0.000 1.247 169 L HN 0.514 nan 8.230 nan 0.000 0.421 170 K N 4.401 124.601 120.400 -0.332 0.000 2.227 170 K HA 0.285 4.605 4.320 -0.000 0.000 0.280 170 K C -1.429 175.040 176.600 -0.218 0.000 1.041 170 K CA -0.409 55.710 56.287 -0.280 0.000 0.905 170 K CB 0.568 32.958 32.500 -0.182 0.000 1.068 170 K HN 0.612 nan 8.250 nan 0.000 0.470 171 W N 2.664 123.954 121.300 -0.016 0.000 2.376 171 W HA 0.187 4.847 4.660 -0.000 0.000 0.322 171 W C -0.138 176.493 176.519 0.187 0.000 1.160 171 W CA -0.232 57.158 57.345 0.076 0.000 1.218 171 W CB 1.049 30.485 29.460 -0.041 0.000 1.205 171 W HN 0.558 nan 8.180 nan 0.000 0.559 172 D N 3.708 124.403 120.400 0.492 0.000 2.408 172 D HA 0.359 4.999 4.640 -0.000 0.000 0.243 172 D C -2.382 174.091 176.300 0.289 0.000 1.075 172 D CA -2.109 52.089 54.000 0.329 0.000 0.832 172 D CB 1.776 42.688 40.800 0.187 0.000 1.162 172 D HN -0.114 nan 8.370 nan 0.000 0.515 173 P HA 0.078 nan 4.420 nan 0.000 0.274 173 P C 0.459 177.690 177.300 -0.115 0.000 1.231 173 P CA -0.341 62.576 63.100 -0.304 0.000 0.790 173 P CB 1.214 32.582 31.700 -0.554 0.000 0.951 174 S N 0.782 116.440 115.700 -0.070 0.000 2.547 174 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 174 S C 0.954 175.554 174.600 -0.000 0.000 0.980 174 S CA 0.584 58.786 58.200 0.003 0.000 0.941 174 S CB -1.137 62.082 63.200 0.032 0.000 0.763 174 S HN 0.591 nan 8.310 nan 0.000 0.532 175 N N 1.549 120.220 118.700 -0.049 0.000 2.275 175 N HA 0.100 4.840 4.740 -0.000 0.000 0.236 175 N C -0.066 175.413 175.510 -0.051 0.000 1.154 175 N CA 0.064 53.091 53.050 -0.038 0.000 0.866 175 N CB -0.270 38.197 38.487 -0.032 0.000 1.093 175 N HN 0.402 nan 8.380 nan 0.000 0.515 176 S N 0.330 116.006 115.700 -0.039 0.000 2.566 176 S HA 0.207 4.677 4.470 -0.000 0.000 0.280 176 S C 0.047 174.676 174.600 0.050 0.000 1.343 176 S CA -0.203 57.998 58.200 0.002 0.000 1.036 176 S CB 1.087 64.312 63.200 0.040 0.000 0.866 176 S HN 0.128 nan 8.310 nan 0.000 0.526 177 K N 1.197 121.655 120.400 0.097 0.000 2.422 177 K HA 0.366 4.685 4.320 -0.000 0.000 0.251 177 K C -0.935 175.808 176.600 0.238 0.000 0.933 177 K CA -0.627 55.743 56.287 0.137 0.000 0.798 177 K CB 2.024 34.587 32.500 0.105 0.000 1.238 177 K HN 0.850 nan 8.250 nan 0.000 0.428 178 D N 0.555 121.079 120.400 0.206 0.000 2.362 178 D HA 0.032 4.672 4.640 -0.000 0.000 0.242 178 D C 0.873 177.314 176.300 0.235 0.000 1.132 178 D CA 0.142 54.288 54.000 0.244 0.000 0.907 178 D CB 0.796 41.719 40.800 0.205 0.000 1.195 178 D HN 0.319 nan 8.370 nan 0.000 0.429 179 N N 0.348 119.156 118.700 0.180 0.000 2.205 179 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 179 N C 1.532 177.121 175.510 0.131 0.000 1.015 179 N CA 1.368 54.487 53.050 0.114 0.000 0.862 179 N CB -0.250 38.182 38.487 -0.091 0.000 0.986 179 N HN 0.457 nan 8.380 nan 0.000 0.429 180 S N -0.702 115.080 115.700 0.135 0.000 2.515 180 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 180 S C 0.556 175.256 174.600 0.166 0.000 0.987 180 S CA 0.268 58.582 58.200 0.190 0.000 0.936 180 S CB -0.110 63.162 63.200 0.121 0.000 0.766 180 S HN 0.280 nan 8.310 nan 0.000 0.528 181 Q N 2.513 122.396 119.800 0.138 0.000 2.271 181 Q HA 0.312 4.652 4.340 -0.000 0.000 0.258 181 Q C -0.671 175.379 176.000 0.083 0.000 0.936 181 Q CA -0.758 55.102 55.803 0.095 0.000 0.909 181 Q CB 1.170 29.960 28.738 0.087 0.000 1.253 181 Q HN 0.565 nan 8.270 nan 0.000 0.440 182 D N 0.981 121.409 120.400 0.047 0.000 2.344 182 D HA 0.492 5.132 4.640 -0.000 0.000 0.244 182 D C 0.163 176.458 176.300 -0.008 0.000 1.134 182 D CA -0.276 53.731 54.000 0.011 0.000 0.930 182 D CB 1.278 42.076 40.800 -0.003 0.000 1.175 182 D HN 0.674 nan 8.370 nan 0.000 0.437 183 G N -0.280 108.477 108.800 -0.072 0.000 2.348 183 G HA2 0.097 4.057 3.960 -0.000 0.000 0.606 183 G HA3 0.097 4.057 3.960 -0.000 0.000 0.606 183 G C -1.648 173.180 174.900 -0.120 0.000 1.466 183 G CA -1.115 43.955 45.100 -0.049 0.000 0.950 183 G HN 0.386 nan 8.290 nan 0.000 0.657 184 Y N 0.733 121.021 120.300 -0.021 0.000 2.336 184 Y HA 0.536 5.086 4.550 -0.000 0.000 0.331 184 Y C 1.590 177.435 175.900 -0.093 0.000 1.211 184 Y CA 0.892 58.963 58.100 -0.048 0.000 1.346 184 Y CB 1.482 39.926 38.460 -0.026 0.000 1.271 184 Y HN 0.758 nan 8.280 nan 0.000 0.538 185 T N -0.597 113.956 114.554 -0.001 0.000 2.912 185 T HA 0.711 5.061 4.350 -0.000 0.000 0.288 185 T C 0.311 174.835 174.700 -0.292 0.000 1.030 185 T CA -0.850 61.155 62.100 -0.159 0.000 1.020 185 T CB 1.486 70.257 68.868 -0.162 0.000 1.056 185 T HN 0.846 nan 8.240 nan 0.000 0.480 186 G N 0.941 109.321 108.800 -0.701 0.000 2.667 186 G HA2 0.383 4.343 3.960 -0.000 0.000 0.250 186 G HA3 0.383 4.343 3.960 -0.000 0.000 0.250 186 G C -0.428 174.302 174.900 -0.283 0.000 1.212 186 G CA -0.607 43.907 45.100 -0.977 0.000 0.874 186 G HN 0.804 nan 8.290 nan 0.000 0.561 187 D N -0.787 119.614 120.400 0.001 0.000 2.443 187 D HA 0.156 4.796 4.640 -0.000 0.000 0.239 187 D C 0.417 176.832 176.300 0.193 0.000 1.136 187 D CA 0.169 54.237 54.000 0.115 0.000 0.879 187 D CB 1.463 42.363 40.800 0.166 0.000 1.195 187 D HN -0.002 nan 8.370 nan 0.000 0.443 188 V N 3.475 123.456 119.914 0.113 0.000 2.432 188 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 188 V C 0.428 176.574 176.094 0.086 0.000 1.043 188 V CA -0.521 61.858 62.300 0.131 0.000 0.925 188 V CB 0.702 32.569 31.823 0.073 0.000 0.985 188 V HN 0.254 nan 8.190 nan 0.000 0.466 189 L N 5.859 127.144 121.223 0.104 0.000 2.346 189 L HA 0.646 4.986 4.340 -0.000 0.000 0.276 189 L C -0.810 176.129 176.870 0.115 0.000 1.006 189 L CA -0.643 54.230 54.840 0.055 0.000 0.817 189 L CB 2.007 44.016 42.059 -0.083 0.000 1.272 189 L HN 0.366 nan 8.230 nan 0.000 0.421 190 I N 1.783 122.380 120.570 0.045 0.000 2.418 190 I HA 0.417 4.587 4.170 -0.000 0.000 0.287 190 I C -0.891 175.241 176.117 0.024 0.000 1.008 190 I CA -0.392 60.890 61.300 -0.031 0.000 1.104 190 I CB 1.718 39.653 38.000 -0.109 0.000 1.264 190 I HN 0.501 nan 8.210 nan 0.000 0.438 191 D N 4.198 124.522 120.400 -0.127 0.000 2.340 191 D HA 0.723 5.363 4.640 -0.000 0.000 0.240 191 D C -0.308 175.468 176.300 -0.874 0.000 1.001 191 D CA -0.270 53.470 54.000 -0.432 0.000 0.888 191 D CB 2.529 43.228 40.800 -0.169 0.000 1.310 191 D HN 0.609 nan 8.370 nan 0.000 0.474 192 A N 1.454 123.391 122.820 -1.472 0.000 2.318 192 A HA 0.647 4.967 4.320 -0.000 0.000 0.324 192 A C -1.506 175.536 177.584 -0.904 0.000 1.170 192 A CA -0.534 50.806 52.037 -1.163 0.000 0.810 192 A CB 0.416 18.477 19.000 -1.563 0.000 1.198 192 A HN 0.482 nan 8.150 nan 0.000 0.484 193 Y N 1.357 121.493 120.300 -0.274 0.000 2.425 193 Y HA 0.408 4.958 4.550 -0.000 0.000 0.344 193 Y C 0.533 176.393 175.900 -0.067 0.000 0.969 193 Y CA -0.552 57.463 58.100 -0.141 0.000 1.052 193 Y CB 2.073 40.479 38.460 -0.089 0.000 1.215 193 Y HN 0.642 nan 8.280 nan 0.000 0.451 194 K N 2.463 122.933 120.400 0.115 0.000 2.168 194 K HA 0.263 4.583 4.320 -0.000 0.000 0.258 194 K C 0.735 177.420 176.600 0.142 0.000 1.010 194 K CA -0.424 55.928 56.287 0.110 0.000 0.929 194 K CB 0.742 33.290 32.500 0.080 0.000 0.998 194 K HN 0.702 nan 8.250 nan 0.000 0.479 195 L N 1.289 122.590 121.223 0.131 0.000 2.265 195 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 195 L C 1.502 178.509 176.870 0.228 0.000 1.117 195 L CA 1.004 55.941 54.840 0.162 0.000 0.782 195 L CB -0.578 41.542 42.059 0.101 0.000 0.914 195 L HN 0.737 nan 8.230 nan 0.000 0.441 196 D N -0.345 120.145 120.400 0.150 0.000 2.336 196 D HA 0.009 4.649 4.640 -0.000 0.000 0.229 196 D C 1.455 177.813 176.300 0.096 0.000 1.061 196 D CA 0.794 54.874 54.000 0.133 0.000 0.875 196 D CB 0.146 41.000 40.800 0.091 0.000 0.904 196 D HN 0.272 nan 8.370 nan 0.000 0.525 197 G N -0.575 108.288 108.800 0.104 0.000 2.175 197 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.244 197 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.244 197 G C 0.397 175.400 174.900 0.173 0.000 0.982 197 G CA 0.197 45.356 45.100 0.098 0.000 0.641 197 G HN 0.441 nan 8.290 nan 0.000 0.527 198 T N 1.690 116.323 114.554 0.133 0.000 2.829 198 T HA 0.339 4.688 4.350 -0.000 0.000 0.293 198 T C 0.489 175.231 174.700 0.071 0.000 0.970 198 T CA 0.625 62.781 62.100 0.093 0.000 1.168 198 T CB 1.234 70.134 68.868 0.054 0.000 0.911 198 T HN 0.459 nan 8.240 nan 0.000 0.535 199 K N 4.177 124.583 120.400 0.010 0.000 2.316 199 K HA 0.234 4.554 4.320 -0.000 0.000 0.289 199 K C 0.781 177.238 176.600 -0.238 0.000 1.070 199 K CA -0.443 55.678 56.287 -0.276 0.000 0.928 199 K CB 0.273 32.641 32.500 -0.220 0.000 1.039 199 K HN 0.575 nan 8.250 nan 0.000 0.480 200 L N 4.676 125.683 121.223 -0.361 0.000 2.209 200 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 200 L C 0.467 177.327 176.870 -0.016 0.000 1.094 200 L CA 0.249 54.981 54.840 -0.180 0.000 0.790 200 L CB -0.169 41.776 42.059 -0.191 0.000 0.932 200 L HN 0.716 nan 8.230 nan 0.000 0.447 201 W N -1.441 119.755 121.300 -0.172 0.000 3.002 201 W HA 0.438 5.098 4.660 0.000 0.000 0.346 201 W C -1.561 174.848 176.519 -0.183 0.000 1.158 201 W CA -1.040 56.217 57.345 -0.146 0.000 1.150 201 W CB 1.195 30.588 29.460 -0.112 0.000 1.446 201 W HN -0.308 nan 8.180 nan 0.000 0.564 202 R N 1.617 122.292 120.500 0.292 0.000 2.575 202 R HA 0.704 5.044 4.340 -0.000 0.000 0.293 202 R C -1.598 174.821 176.300 0.197 0.000 0.983 202 R CA -0.643 55.576 56.100 0.198 0.000 0.887 202 R CB 1.912 32.223 30.300 0.018 0.000 1.184 202 R HN 0.555 nan 8.270 nan 0.000 0.445 203 I N 3.324 123.987 120.570 0.155 0.000 2.377 203 I HA 0.254 4.424 4.170 -0.000 0.000 0.293 203 I C -0.389 175.699 176.117 -0.049 0.000 0.987 203 I CA -0.904 60.348 61.300 -0.081 0.000 1.185 203 I CB 1.772 39.551 38.000 -0.367 0.000 1.341 203 I HN 0.529 nan 8.210 nan 0.000 0.455 204 N N 6.680 125.355 118.700 -0.042 0.000 2.469 204 N HA 0.295 5.034 4.740 -0.000 0.000 0.253 204 N C 0.398 175.909 175.510 0.002 0.000 0.970 204 N CA -0.271 52.770 53.050 -0.015 0.000 0.940 204 N CB 1.436 39.920 38.487 -0.005 0.000 1.128 204 N HN 0.596 nan 8.380 nan 0.000 0.503 205 L N 2.534 123.762 121.223 0.008 0.000 2.275 205 L HA 0.137 4.477 4.340 -0.000 0.000 0.215 205 L C 1.374 178.266 176.870 0.037 0.000 1.119 205 L CA 0.803 55.658 54.840 0.025 0.000 0.790 205 L CB -0.777 41.291 42.059 0.015 0.000 0.919 205 L HN 0.825 nan 8.230 nan 0.000 0.443 206 G N 0.496 109.318 108.800 0.036 0.000 2.757 206 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.638 206 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.638 206 G C 0.446 175.366 174.900 0.033 0.000 1.344 206 G CA 0.026 45.151 45.100 0.042 0.000 0.855 206 G HN 0.345 nan 8.290 nan 0.000 0.537 207 K N -0.663 119.761 120.400 0.040 0.000 2.362 207 K HA 0.007 4.327 4.320 -0.000 0.000 0.200 207 K C 1.388 178.004 176.600 0.028 0.000 1.046 207 K CA 1.836 58.145 56.287 0.037 0.000 0.952 207 K CB -0.093 32.434 32.500 0.046 0.000 0.753 207 K HN 0.414 nan 8.250 nan 0.000 0.466 208 N N 0.411 119.130 118.700 0.033 0.000 2.270 208 N HA 0.134 4.873 4.740 -0.000 0.000 0.198 208 N C -0.845 174.643 175.510 -0.037 0.000 1.117 208 N CA -0.107 52.962 53.050 0.031 0.000 0.845 208 N CB 0.507 39.052 38.487 0.097 0.000 0.980 208 N HN 0.083 nan 8.380 nan 0.000 0.486 209 I N 1.459 121.995 120.570 -0.056 0.000 2.390 209 I HA 0.214 4.384 4.170 -0.000 0.000 0.283 209 I C 0.162 176.181 176.117 -0.164 0.000 1.016 209 I CA -0.527 60.710 61.300 -0.104 0.000 1.151 209 I CB 1.074 39.037 38.000 -0.063 0.000 1.293 209 I HN 0.052 nan 8.210 nan 0.000 0.458 210 R N 3.701 124.001 120.500 -0.332 0.000 2.643 210 R HA 0.465 4.804 4.340 -0.000 0.000 0.270 210 R C 0.008 176.045 176.300 -0.439 0.000 1.061 210 R CA -0.203 55.587 56.100 -0.517 0.000 1.107 210 R CB 0.911 30.618 30.300 -0.988 0.000 0.999 210 R HN 0.736 nan 8.270 nan 0.000 0.460 211 A N 2.194 124.866 122.820 -0.246 0.000 2.328 211 A HA 0.635 4.955 4.320 -0.000 0.000 0.284 211 A C -0.098 177.531 177.584 0.074 0.000 1.160 211 A CA 0.317 52.324 52.037 -0.050 0.000 0.818 211 A CB 1.113 20.088 19.000 -0.041 0.000 1.087 211 A HN 0.885 nan 8.150 nan 0.000 0.504 212 G N -0.871 108.077 108.800 0.247 0.000 2.340 212 G HA2 0.563 4.523 3.960 -0.000 0.000 0.300 212 G HA3 0.563 4.523 3.960 -0.000 0.000 0.300 212 G C 0.407 175.442 174.900 0.225 0.000 1.488 212 G CA -0.072 45.217 45.100 0.315 0.000 0.878 212 G HN 1.519 nan 8.290 nan 0.000 0.618 213 A N -0.317 122.517 122.820 0.023 0.000 1.978 213 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 213 A C 1.592 178.980 177.584 -0.327 0.000 1.170 213 A CA 2.176 54.101 52.037 -0.186 0.000 0.636 213 A CB -0.571 18.226 19.000 -0.337 0.000 0.810 213 A HN 0.720 nan 8.150 nan 0.000 0.448 214 H N -2.824 116.221 119.070 -0.042 0.000 2.539 214 H HA 0.160 4.716 4.556 -0.000 0.000 0.269 214 H C 0.878 176.133 175.328 -0.123 0.000 0.980 214 H CA 0.334 56.288 56.048 -0.157 0.000 1.152 214 H CB -0.007 29.578 29.762 -0.294 0.000 1.407 214 H HN 0.647 nan 8.280 nan 0.000 0.564 215 Y N 1.591 122.023 120.300 0.220 0.000 2.483 215 Y HA 0.037 4.587 4.550 -0.000 0.000 0.243 215 Y C 1.488 177.419 175.900 0.051 0.000 1.024 215 Y CA 0.333 58.547 58.100 0.190 0.000 1.091 215 Y CB -0.594 37.920 38.460 0.091 0.000 1.034 215 Y HN -0.192 nan 8.280 nan 0.000 0.475 216 T N 3.932 118.611 114.554 0.210 0.000 2.853 216 T HA 0.113 4.463 4.350 -0.000 0.000 0.298 216 T C -0.564 174.269 174.700 0.221 0.000 0.978 216 T CA -0.224 61.958 62.100 0.137 0.000 1.152 216 T CB -0.019 68.937 68.868 0.146 0.000 0.914 216 T HN 0.108 nan 8.240 nan 0.000 0.539 217 Q N 3.657 123.573 119.800 0.193 0.000 2.347 217 Q HA 0.335 4.675 4.340 -0.000 0.000 0.265 217 Q C -0.731 175.408 176.000 0.233 0.000 1.024 217 Q CA -0.537 55.386 55.803 0.199 0.000 0.731 217 Q CB 1.156 29.995 28.738 0.168 0.000 1.245 217 Q HN 0.777 nan 8.270 nan 0.000 0.472 218 F N 0.250 120.265 119.950 0.109 0.000 2.427 218 F HA 0.709 5.236 4.527 -0.000 0.000 0.346 218 F C -0.265 175.614 175.800 0.131 0.000 1.120 218 F CA -1.084 56.986 58.000 0.116 0.000 1.033 218 F CB 1.043 40.110 39.000 0.112 0.000 1.126 218 F HN 0.128 nan 8.300 nan 0.000 0.462 219 M N 5.166 124.885 119.600 0.199 0.000 2.180 219 M HA 0.415 4.895 4.480 -0.000 0.000 0.350 219 M C -1.036 175.401 176.300 0.227 0.000 1.125 219 M CA -0.774 54.610 55.300 0.140 0.000 1.031 219 M CB 1.647 34.322 32.600 0.125 0.000 1.623 219 M HN 0.571 nan 8.290 nan 0.000 0.451 220 V N 5.397 125.449 119.914 0.230 0.000 2.378 220 V HA 0.567 4.687 4.120 -0.000 0.000 0.288 220 V C -1.202 175.097 176.094 0.342 0.000 1.016 220 V CA -0.631 61.835 62.300 0.278 0.000 0.840 220 V CB 1.402 33.384 31.823 0.265 0.000 0.994 220 V HN 0.825 nan 8.190 nan 0.000 0.431 221 Y N 1.987 122.376 120.300 0.148 0.000 2.638 221 Y HA 0.281 4.830 4.550 -0.000 0.000 0.334 221 Y C -0.719 175.270 175.900 0.148 0.000 1.182 221 Y CA -1.105 57.082 58.100 0.145 0.000 1.102 221 Y CB 1.656 40.191 38.460 0.125 0.000 1.343 221 Y HN 0.667 nan 8.280 nan 0.000 0.463 222 D N 3.879 124.276 120.400 -0.004 0.000 2.455 222 D HA 0.172 4.812 4.640 -0.000 0.000 0.234 222 D C 0.614 177.082 176.300 0.280 0.000 1.224 222 D CA 0.560 54.630 54.000 0.116 0.000 0.999 222 D CB 0.244 41.049 40.800 0.009 0.000 1.072 222 D HN 0.664 nan 8.370 nan 0.000 0.514 223 L N 1.863 123.285 121.223 0.330 0.000 2.141 223 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 223 L C 1.742 178.741 176.870 0.215 0.000 1.094 223 L CA 1.052 56.077 54.840 0.309 0.000 0.763 223 L CB -0.058 42.212 42.059 0.352 0.000 0.908 223 L HN 0.364 nan 8.230 nan 0.000 0.437 224 D N -1.207 119.318 120.400 0.207 0.000 2.360 224 D HA 0.047 4.687 4.640 -0.000 0.000 0.210 224 D C 1.334 177.668 176.300 0.056 0.000 1.047 224 D CA 0.711 54.741 54.000 0.050 0.000 0.854 224 D CB 0.183 40.920 40.800 -0.104 0.000 0.936 224 D HN 0.162 nan 8.370 nan 0.000 0.514 225 G N 1.872 110.731 108.800 0.099 0.000 2.171 225 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.238 225 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.238 225 G C 0.342 175.296 174.900 0.091 0.000 1.039 225 G CA 0.384 45.545 45.100 0.102 0.000 0.759 225 G HN 0.531 nan 8.290 nan 0.000 0.501 226 D N -0.738 119.710 120.400 0.080 0.000 2.349 226 D HA 0.363 5.003 4.640 -0.000 0.000 0.214 226 D C 1.735 178.075 176.300 0.067 0.000 1.063 226 D CA 0.573 54.614 54.000 0.069 0.000 0.847 226 D CB -0.309 40.528 40.800 0.062 0.000 0.933 226 D HN 1.552 nan 8.370 nan 0.000 0.513 227 G N 0.253 109.093 108.800 0.066 0.000 2.176 227 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.232 227 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.232 227 G C 0.029 174.959 174.900 0.049 0.000 0.986 227 G CA -0.025 45.105 45.100 0.051 0.000 0.643 227 G HN 0.441 nan 8.290 nan 0.000 0.522 228 K N 0.423 120.864 120.400 0.068 0.000 2.378 228 K HA 0.734 5.054 4.320 -0.000 0.000 0.252 228 K C 0.226 176.887 176.600 0.102 0.000 0.931 228 K CA -0.187 56.150 56.287 0.082 0.000 0.794 228 K CB 2.290 34.845 32.500 0.092 0.000 1.181 228 K HN 0.506 nan 8.250 nan 0.000 0.425 229 A N 2.932 125.817 122.820 0.109 0.000 2.407 229 A HA 0.187 4.507 4.320 -0.000 0.000 0.248 229 A C 0.059 177.744 177.584 0.167 0.000 1.082 229 A CA -0.203 51.913 52.037 0.133 0.000 0.785 229 A CB 0.263 19.349 19.000 0.144 0.000 1.020 229 A HN 0.749 nan 8.150 nan 0.000 0.489 230 E N 0.847 121.150 120.200 0.173 0.000 2.281 230 E HA 0.668 5.018 4.350 -0.000 0.000 0.257 230 E C -1.331 175.378 176.600 0.182 0.000 0.971 230 E CA -0.901 55.585 56.400 0.144 0.000 0.839 230 E CB 1.148 30.877 29.700 0.047 0.000 1.238 230 E HN 0.244 nan 8.360 nan 0.000 0.412 231 V N -0.082 119.938 119.914 0.178 0.000 2.483 231 V HA 0.644 4.764 4.120 -0.000 0.000 0.297 231 V C -0.667 175.571 176.094 0.239 0.000 1.027 231 V CA -0.751 61.703 62.300 0.256 0.000 0.855 231 V CB 1.270 33.281 31.823 0.313 0.000 0.995 231 V HN 0.857 nan 8.190 nan 0.000 0.424 232 A N 7.159 130.100 122.820 0.202 0.000 2.355 232 A HA 1.056 5.376 4.320 -0.000 0.000 0.317 232 A C -0.556 177.144 177.584 0.193 0.000 1.094 232 A CA -0.553 51.556 52.037 0.120 0.000 0.764 232 A CB 1.601 20.602 19.000 0.002 0.000 1.230 232 A HN 1.129 nan 8.150 nan 0.000 0.448 233 M N 0.383 120.095 119.600 0.186 0.000 2.833 233 M HA 0.516 4.996 4.480 -0.000 0.000 0.270 233 M C -0.935 175.440 176.300 0.126 0.000 1.209 233 M CA -0.831 54.580 55.300 0.184 0.000 0.826 233 M CB 1.448 34.190 32.600 0.236 0.000 1.657 233 M HN 0.474 nan 8.290 nan 0.000 0.492 234 K N 1.823 122.241 120.400 0.030 0.000 2.368 234 K HA 0.451 4.771 4.320 -0.000 0.000 0.282 234 K C -0.589 175.976 176.600 -0.057 0.000 1.035 234 K CA 0.496 56.710 56.287 -0.121 0.000 0.973 234 K CB 0.716 32.847 32.500 -0.615 0.000 0.957 234 K HN 0.809 nan 8.250 nan 0.000 0.474 235 T N 0.036 114.596 114.554 0.009 0.000 2.831 235 T HA 0.869 5.219 4.350 -0.000 0.000 0.287 235 T C -0.855 173.886 174.700 0.068 0.000 1.070 235 T CA -0.885 61.270 62.100 0.092 0.000 1.010 235 T CB 1.811 70.801 68.868 0.203 0.000 1.264 235 T HN 0.625 nan 8.240 nan 0.000 0.532 236 A N -0.115 122.790 122.820 0.141 0.000 2.568 236 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 236 A C -1.424 176.315 177.584 0.259 0.000 1.159 236 A CA -0.927 51.140 52.037 0.049 0.000 0.679 236 A CB 0.559 19.529 19.000 -0.050 0.000 1.285 236 A HN 0.836 nan 8.150 nan 0.000 0.428 237 D N 0.332 120.878 120.400 0.243 0.000 2.533 237 D HA 0.359 4.999 4.640 -0.000 0.000 0.236 237 D C 1.298 177.703 176.300 0.175 0.000 1.137 237 D CA 2.400 56.570 54.000 0.284 0.000 0.867 237 D CB 0.685 41.656 40.800 0.285 0.000 1.170 237 D HN 1.568 nan 8.370 nan 0.000 0.474 238 G N 2.257 111.142 108.800 0.142 0.000 2.195 238 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 238 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 238 G C 0.638 175.590 174.900 0.087 0.000 0.984 238 G CA 0.256 45.412 45.100 0.093 0.000 0.633 238 G HN 0.584 nan 8.290 nan 0.000 0.525 239 T N 1.250 115.872 114.554 0.113 0.000 2.902 239 T HA 0.391 4.741 4.350 -0.000 0.000 0.301 239 T C 0.307 175.064 174.700 0.095 0.000 1.012 239 T CA 0.881 63.046 62.100 0.109 0.000 1.151 239 T CB 1.207 70.174 68.868 0.165 0.000 0.946 239 T HN 0.484 nan 8.240 nan 0.000 0.542 240 K N 3.353 123.790 120.400 0.062 0.000 2.307 240 K HA 0.264 4.584 4.320 -0.000 0.000 0.263 240 K C -0.061 176.551 176.600 0.020 0.000 0.973 240 K CA -0.946 55.366 56.287 0.041 0.000 0.846 240 K CB 0.773 33.285 32.500 0.021 0.000 1.100 240 K HN 0.689 nan 8.250 nan 0.000 0.438 241 D N 2.888 123.317 120.400 0.049 0.000 2.414 241 D HA 0.057 4.697 4.640 -0.000 0.000 0.251 241 D C 1.077 177.327 176.300 -0.083 0.000 1.252 241 D CA -0.267 53.740 54.000 0.013 0.000 0.999 241 D CB 0.406 41.311 40.800 0.175 0.000 1.093 241 D HN 0.558 nan 8.370 nan 0.000 0.515 242 G N -1.716 106.968 108.800 -0.193 0.000 2.509 242 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 242 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 242 G C 1.311 176.187 174.900 -0.040 0.000 1.124 242 G CA 1.278 46.297 45.100 -0.134 0.000 0.776 242 G HN 0.715 nan 8.290 nan 0.000 0.547 243 T N -3.441 111.086 114.554 -0.044 0.000 3.107 243 T HA 0.398 4.748 4.350 -0.000 0.000 0.249 243 T C 1.739 176.436 174.700 -0.005 0.000 1.096 243 T CA 0.913 63.004 62.100 -0.015 0.000 1.012 243 T CB 0.224 69.081 68.868 -0.017 0.000 0.977 243 T HN 1.241 nan 8.240 nan 0.000 0.527 244 G N 1.299 110.096 108.800 -0.005 0.000 2.141 244 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.231 244 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.231 244 G C -0.144 174.758 174.900 0.004 0.000 0.984 244 G CA 0.079 45.179 45.100 0.001 0.000 0.660 244 G HN 0.810 nan 8.290 nan 0.000 0.525 245 K N 0.835 121.238 120.400 0.005 0.000 2.258 245 K HA 0.563 4.883 4.320 -0.000 0.000 0.284 245 K C 0.361 176.972 176.600 0.019 0.000 1.051 245 K CA -0.586 55.705 56.287 0.007 0.000 0.923 245 K CB 0.997 33.496 32.500 -0.001 0.000 1.046 245 K HN 0.013 nan 8.250 nan 0.000 0.474 246 V N 6.406 126.331 119.914 0.018 0.000 2.461 246 V HA 0.221 4.341 4.120 -0.000 0.000 0.275 246 V C 0.498 176.607 176.094 0.025 0.000 1.047 246 V CA -0.641 61.678 62.300 0.032 0.000 0.955 246 V CB 0.984 32.826 31.823 0.032 0.000 0.988 246 V HN 0.704 nan 8.190 nan 0.000 0.471 247 I N 4.739 125.333 120.570 0.041 0.000 2.474 247 I HA 0.524 4.694 4.170 -0.000 0.000 0.287 247 I C 1.295 177.438 176.117 0.044 0.000 1.048 247 I CA 1.034 62.337 61.300 0.004 0.000 1.383 247 I CB 0.603 38.609 38.000 0.010 0.000 1.412 247 I HN 0.937 nan 8.210 nan 0.000 0.531 248 G N 5.740 114.526 108.800 -0.024 0.000 2.527 248 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.268 248 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.268 248 G C 0.006 174.962 174.900 0.093 0.000 1.175 248 G CA -0.141 44.994 45.100 0.059 0.000 0.962 248 G HN 0.709 nan 8.290 nan 0.000 0.560 249 N N 1.991 120.782 118.700 0.152 0.000 2.439 249 N HA 0.540 5.280 4.740 -0.000 0.000 0.243 249 N C 1.435 176.999 175.510 0.089 0.000 1.088 249 N CA 1.084 54.201 53.050 0.112 0.000 0.940 249 N CB 0.748 39.320 38.487 0.141 0.000 1.180 249 N HN 1.136 nan 8.380 nan 0.000 0.505 250 A N 4.182 127.036 122.820 0.058 0.000 1.917 250 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 250 A C 1.358 178.963 177.584 0.034 0.000 1.182 250 A CA 1.705 53.770 52.037 0.046 0.000 0.633 250 A CB -0.328 18.690 19.000 0.030 0.000 0.819 250 A HN 0.827 nan 8.150 nan 0.000 0.448 251 N N -0.635 118.075 118.700 0.017 0.000 2.236 251 N HA 0.415 5.155 4.740 -0.000 0.000 0.196 251 N C 0.239 175.724 175.510 -0.041 0.000 1.114 251 N CA 0.300 53.346 53.050 -0.006 0.000 0.859 251 N CB 0.321 38.801 38.487 -0.011 0.000 0.982 251 N HN 0.464 nan 8.380 nan 0.000 0.493 252 A N 0.998 123.791 122.820 -0.046 0.000 2.540 252 A HA 0.093 4.413 4.320 -0.000 0.000 0.239 252 A C -0.259 177.187 177.584 -0.231 0.000 1.061 252 A CA 0.483 52.414 52.037 -0.176 0.000 0.758 252 A CB 0.181 19.119 19.000 -0.104 0.000 0.991 252 A HN 0.137 nan 8.150 nan 0.000 0.502 253 D N 1.556 121.720 120.400 -0.394 0.000 2.421 253 D HA 0.392 5.032 4.640 -0.000 0.000 0.254 253 D C -0.954 175.139 176.300 -0.345 0.000 1.238 253 D CA -0.224 53.630 54.000 -0.242 0.000 0.919 253 D CB 0.391 41.123 40.800 -0.113 0.000 1.152 253 D HN 0.400 nan 8.370 nan 0.000 0.552 254 Y N 1.614 121.923 120.300 0.015 0.000 2.524 254 Y HA 0.290 4.840 4.550 -0.000 0.000 0.266 254 Y C 0.872 176.772 175.900 0.001 0.000 1.180 254 Y CA -0.384 57.719 58.100 0.004 0.000 1.244 254 Y CB 0.228 38.679 38.460 -0.016 0.000 1.125 254 Y HN 0.042 nan 8.280 nan 0.000 0.524 255 R N 2.577 123.143 120.500 0.111 0.000 2.449 255 R HA 0.021 4.361 4.340 -0.000 0.000 0.296 255 R C 0.464 176.801 176.300 0.061 0.000 1.047 255 R CA -0.204 55.940 56.100 0.073 0.000 1.018 255 R CB 0.138 30.526 30.300 0.146 0.000 0.962 255 R HN 0.311 nan 8.270 nan 0.000 0.428 256 N N 1.723 120.419 118.700 -0.006 0.000 2.366 256 N HA -0.051 4.689 4.740 -0.000 0.000 0.277 256 N C 0.279 175.764 175.510 -0.042 0.000 1.275 256 N CA -0.221 52.829 53.050 0.000 0.000 0.964 256 N CB 0.448 38.938 38.487 0.005 0.000 1.167 256 N HN 0.484 nan 8.380 nan 0.000 0.568 257 E N -1.060 119.140 120.200 -0.000 0.000 2.265 257 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 257 E C 0.732 177.292 176.600 -0.066 0.000 0.996 257 E CA 0.972 57.386 56.400 0.024 0.000 0.832 257 E CB -0.045 29.679 29.700 0.041 0.000 0.756 257 E HN 0.590 nan 8.360 nan 0.000 0.491 258 Q N -0.841 118.875 119.800 -0.141 0.000 2.247 258 Q HA 0.135 4.475 4.340 -0.000 0.000 0.204 258 Q C 0.681 176.457 176.000 -0.375 0.000 0.872 258 Q CA 0.315 56.011 55.803 -0.178 0.000 0.951 258 Q CB 1.317 30.019 28.738 -0.060 0.000 1.099 258 Q HN 0.354 nan 8.270 nan 0.000 0.501 259 G N 2.017 110.410 108.800 -0.680 0.000 2.153 259 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 259 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 259 G C -0.003 174.684 174.900 -0.354 0.000 0.994 259 G CA 0.085 44.677 45.100 -0.848 0.000 0.698 259 G HN 0.219 nan 8.290 nan 0.000 0.521 260 R N -0.785 119.589 120.500 -0.211 0.000 2.486 260 R HA 0.560 4.900 4.340 -0.000 0.000 0.286 260 R C -0.224 176.031 176.300 -0.074 0.000 0.999 260 R CA -0.728 55.305 56.100 -0.111 0.000 0.993 260 R CB 1.976 32.257 30.300 -0.033 0.000 1.084 260 R HN 0.065 nan 8.270 nan 0.000 0.487 261 V N 5.068 124.947 119.914 -0.058 0.000 2.277 261 V HA 0.178 4.298 4.120 -0.000 0.000 0.269 261 V C 0.515 176.603 176.094 -0.010 0.000 1.036 261 V CA -0.128 62.163 62.300 -0.016 0.000 0.821 261 V CB 0.704 32.510 31.823 -0.028 0.000 1.052 261 V HN 0.680 nan 8.190 nan 0.000 0.462 262 L N 3.755 124.979 121.223 0.002 0.000 2.959 262 L HA 0.371 4.711 4.340 -0.000 0.000 0.259 262 L C 0.587 177.446 176.870 -0.019 0.000 1.185 262 L CA 0.117 54.953 54.840 -0.008 0.000 0.998 262 L CB 0.465 42.526 42.059 0.003 0.000 1.337 262 L HN 0.766 nan 8.230 nan 0.000 0.555 263 S N -1.498 114.172 115.700 -0.051 0.000 2.625 263 S HA 0.875 5.345 4.470 -0.000 0.000 0.271 263 S C -0.146 174.183 174.600 -0.453 0.000 1.161 263 S CA -0.249 57.876 58.200 -0.125 0.000 0.820 263 S CB 2.261 65.463 63.200 0.004 0.000 1.137 263 S HN 0.312 nan 8.310 nan 0.000 0.470 264 G N 0.662 109.067 108.800 -0.658 0.000 2.756 264 G HA2 0.111 4.071 3.960 -0.000 0.000 0.678 264 G HA3 0.111 4.071 3.960 -0.000 0.000 0.678 264 G C -3.273 171.234 174.900 -0.655 0.000 1.349 264 G CA -0.589 43.764 45.100 -1.244 0.000 0.847 264 G HN 0.816 nan 8.290 nan 0.000 0.548 265 P HA 0.375 nan 4.420 nan 0.000 0.269 265 P C -0.215 176.714 177.300 -0.617 0.000 1.215 265 P CA 0.290 63.129 63.100 -0.437 0.000 0.780 265 P CB 0.537 32.027 31.700 -0.350 0.000 0.898 266 E N 0.789 120.668 120.200 -0.534 0.000 2.272 266 E HA 0.440 4.790 4.350 -0.000 0.000 0.269 266 E C -1.088 175.323 176.600 -0.315 0.000 0.877 266 E CA -0.518 55.608 56.400 -0.457 0.000 0.755 266 E CB 1.305 30.896 29.700 -0.180 0.000 1.192 266 E HN 0.350 nan 8.360 nan 0.000 0.422 267 Y N 0.602 120.930 120.300 0.046 0.000 2.570 267 Y HA 0.544 5.094 4.550 -0.000 0.000 0.345 267 Y C -0.625 175.352 175.900 0.128 0.000 1.014 267 Y CA -1.282 56.864 58.100 0.076 0.000 1.063 267 Y CB 1.102 39.565 38.460 0.005 0.000 1.272 267 Y HN 0.355 nan 8.280 nan 0.000 0.477 268 L N 1.435 122.816 121.223 0.263 0.000 2.349 268 L HA 0.763 5.103 4.340 -0.000 0.000 0.278 268 L C -0.785 176.032 176.870 -0.088 0.000 0.996 268 L CA -0.087 54.817 54.840 0.107 0.000 0.825 268 L CB 1.551 43.573 42.059 -0.062 0.000 1.243 268 L HN 0.691 nan 8.230 nan 0.000 0.412 269 T N 4.181 118.636 114.554 -0.165 0.000 2.841 269 T HA 0.608 4.958 4.350 -0.000 0.000 0.283 269 T C -0.825 173.568 174.700 -0.511 0.000 1.000 269 T CA -0.451 61.384 62.100 -0.441 0.000 0.977 269 T CB 1.788 70.216 68.868 -0.733 0.000 0.979 269 T HN 0.320 nan 8.240 nan 0.000 0.446 270 V N 3.989 123.543 119.914 -0.599 0.000 2.370 270 V HA 0.504 4.624 4.120 -0.000 0.000 0.279 270 V C -0.778 174.942 176.094 -0.624 0.000 1.029 270 V CA -0.689 61.261 62.300 -0.583 0.000 0.870 270 V CB 0.274 31.550 31.823 -0.911 0.000 0.984 270 V HN 0.745 nan 8.190 nan 0.000 0.451 271 F N 2.137 121.926 119.950 -0.269 0.000 2.450 271 F HA 0.447 4.974 4.527 -0.000 0.000 0.332 271 F C 0.546 176.204 175.800 -0.237 0.000 1.093 271 F CA -0.569 57.266 58.000 -0.275 0.000 1.003 271 F CB 1.427 40.220 39.000 -0.344 0.000 1.151 271 F HN 0.425 nan 8.300 nan 0.000 0.474 272 Q N 1.454 121.235 119.800 -0.032 0.000 2.274 272 Q HA 0.143 4.483 4.340 -0.000 0.000 0.280 272 Q C 1.228 177.219 176.000 -0.014 0.000 1.047 272 Q CA 0.331 56.124 55.803 -0.016 0.000 0.907 272 Q CB 1.231 29.957 28.738 -0.020 0.000 1.171 272 Q HN 1.005 nan 8.270 nan 0.000 0.381 273 G N 2.075 110.945 108.800 0.116 0.000 2.432 273 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 273 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 273 G C 1.299 176.450 174.900 0.417 0.000 1.135 273 G CA 0.871 46.133 45.100 0.270 0.000 0.767 273 G HN 0.732 nan 8.290 nan 0.000 0.550 274 S N -0.146 115.707 115.700 0.256 0.000 2.436 274 S HA -0.030 4.439 4.470 -0.000 0.000 0.228 274 S C 1.991 176.793 174.600 0.337 0.000 1.014 274 S CA 1.763 60.128 58.200 0.275 0.000 0.950 274 S CB -0.174 63.120 63.200 0.156 0.000 0.784 274 S HN 0.527 nan 8.310 nan 0.000 0.504 275 T N -4.342 110.274 114.554 0.103 0.000 2.969 275 T HA 0.525 4.875 4.350 -0.000 0.000 0.258 275 T C 1.541 175.877 174.700 -0.606 0.000 0.962 275 T CA 0.602 62.679 62.100 -0.038 0.000 0.903 275 T CB -0.017 68.827 68.868 -0.041 0.000 1.177 275 T HN 1.129 nan 8.240 nan 0.000 0.511 276 G N 2.144 110.194 108.800 -1.251 0.000 2.155 276 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 276 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 276 G C -0.048 174.535 174.900 -0.529 0.000 0.983 276 G CA 0.534 44.690 45.100 -1.573 0.000 0.676 276 G HN 0.878 nan 8.290 nan 0.000 0.528 277 K N 1.028 121.273 120.400 -0.257 0.000 2.350 277 K HA 0.287 4.607 4.320 -0.000 0.000 0.279 277 K C 0.777 177.386 176.600 0.016 0.000 1.027 277 K CA -0.342 55.903 56.287 -0.069 0.000 0.969 277 K CB 0.334 32.796 32.500 -0.063 0.000 0.954 277 K HN 0.371 nan 8.250 nan 0.000 0.474 278 E N 4.775 124.984 120.200 0.015 0.000 2.493 278 E HA -0.092 4.258 4.350 -0.000 0.000 0.255 278 E C 0.085 176.569 176.600 -0.192 0.000 0.999 278 E CA 0.046 56.313 56.400 -0.220 0.000 0.934 278 E CB 0.485 30.060 29.700 -0.209 0.000 0.940 278 E HN 0.640 nan 8.360 nan 0.000 0.473 279 L N 3.881 124.949 121.223 -0.258 0.000 2.262 279 L HA 0.182 4.521 4.340 -0.000 0.000 0.197 279 L C 0.095 176.891 176.870 -0.122 0.000 1.073 279 L CA 0.261 55.018 54.840 -0.138 0.000 0.800 279 L CB 0.466 42.463 42.059 -0.103 0.000 0.987 279 L HN 0.353 nan 8.230 nan 0.000 0.470 280 V N -0.882 118.898 119.914 -0.224 0.000 2.851 280 V HA 0.375 4.495 4.120 -0.000 0.000 0.307 280 V C -0.907 175.029 176.094 -0.263 0.000 1.129 280 V CA -0.563 61.640 62.300 -0.161 0.000 0.932 280 V CB 2.109 33.922 31.823 -0.017 0.000 1.024 280 V HN 0.035 nan 8.190 nan 0.000 0.426 281 T N 3.365 117.787 114.554 -0.219 0.000 2.848 281 T HA 0.823 5.173 4.350 -0.000 0.000 0.285 281 T C -0.220 174.389 174.700 -0.151 0.000 0.995 281 T CA -0.187 61.773 62.100 -0.232 0.000 0.970 281 T CB 1.744 70.427 68.868 -0.307 0.000 0.976 281 T HN 1.051 nan 8.240 nan 0.000 0.441 282 A N 3.211 125.979 122.820 -0.086 0.000 2.387 282 A HA 0.754 5.074 4.320 -0.000 0.000 0.303 282 A C -0.203 177.452 177.584 0.118 0.000 1.145 282 A CA -1.058 50.976 52.037 -0.006 0.000 0.801 282 A CB 0.727 19.722 19.000 -0.009 0.000 1.342 282 A HN 0.858 nan 8.150 nan 0.000 0.440 283 N N -0.012 118.785 118.700 0.161 0.000 2.454 283 N HA 0.219 4.959 4.740 -0.000 0.000 0.260 283 N C -0.713 174.919 175.510 0.205 0.000 1.218 283 N CA 0.397 53.590 53.050 0.239 0.000 0.904 283 N CB 0.279 38.870 38.487 0.172 0.000 1.065 283 N HN 0.530 nan 8.380 nan 0.000 0.462 284 F N 2.194 122.204 119.950 0.101 0.000 2.504 284 F HA 0.107 4.634 4.527 -0.000 0.000 0.369 284 F C 0.260 176.141 175.800 0.135 0.000 1.082 284 F CA 0.042 58.091 58.000 0.080 0.000 1.216 284 F CB 0.400 39.411 39.000 0.018 0.000 1.108 284 F HN 0.441 nan 8.300 nan 0.000 0.554 285 E N 6.990 126.892 120.200 -0.496 0.000 2.266 285 E HA 0.313 4.663 4.350 -0.000 0.000 0.268 285 E C -2.582 173.658 176.600 -0.599 0.000 0.879 285 E CA -2.433 53.790 56.400 -0.295 0.000 0.762 285 E CB 1.732 31.387 29.700 -0.076 0.000 1.199 285 E HN 0.337 nan 8.360 nan 0.000 0.422 286 P HA 0.003 nan 4.420 nan 0.000 0.267 286 P C -0.926 176.581 177.300 0.345 0.000 1.209 286 P CA 0.153 63.355 63.100 0.170 0.000 0.763 286 P CB 0.560 32.455 31.700 0.324 0.000 0.816 287 A N 4.075 127.063 122.820 0.280 0.000 2.406 287 A HA 0.091 4.411 4.320 -0.000 0.000 0.243 287 A C 1.773 179.577 177.584 0.367 0.000 1.082 287 A CA -0.153 52.063 52.037 0.298 0.000 0.786 287 A CB 0.012 19.125 19.000 0.189 0.000 1.029 287 A HN 0.607 nan 8.150 nan 0.000 0.495 288 R N 1.027 121.696 120.500 0.281 0.000 2.081 288 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 288 R C 1.481 178.030 176.300 0.416 0.000 1.131 288 R CA 1.669 57.940 56.100 0.284 0.000 0.960 288 R CB -0.693 29.683 30.300 0.126 0.000 0.856 288 R HN 1.502 nan 8.270 nan 0.000 0.436 289 G N 0.407 109.352 108.800 0.242 0.000 2.596 289 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.295 289 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.295 289 G C -0.753 174.238 174.900 0.151 0.000 1.240 289 G CA 0.444 45.640 45.100 0.160 0.000 0.985 289 G HN 0.592 nan 8.290 nan 0.000 0.555 290 N N -0.070 118.697 118.700 0.112 0.000 2.479 290 N HA 0.431 5.171 4.740 -0.000 0.000 0.285 290 N C 1.348 176.974 175.510 0.193 0.000 1.075 290 N CA -0.234 52.877 53.050 0.101 0.000 0.967 290 N CB 2.134 40.644 38.487 0.037 0.000 1.137 290 N HN 0.398 nan 8.380 nan 0.000 0.472 291 V N 1.475 121.490 119.914 0.169 0.000 2.317 291 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 291 V C 2.224 178.443 176.094 0.209 0.000 1.065 291 V CA 2.363 64.778 62.300 0.193 0.000 1.049 291 V CB -0.747 31.115 31.823 0.066 0.000 0.651 291 V HN 0.917 nan 8.190 nan 0.000 0.450 292 S N -0.552 115.209 115.700 0.101 0.000 2.474 292 S HA -0.211 4.259 4.470 -0.000 0.000 0.235 292 S C 1.505 176.107 174.600 0.003 0.000 0.997 292 S CA 1.298 59.528 58.200 0.051 0.000 0.949 292 S CB -0.542 62.672 63.200 0.025 0.000 0.766 292 S HN 0.596 nan 8.310 nan 0.000 0.517 293 D N 1.078 121.443 120.400 -0.058 0.000 2.221 293 D HA -0.096 4.544 4.640 -0.000 0.000 0.204 293 D C 0.775 176.835 176.300 -0.399 0.000 0.982 293 D CA 0.997 54.818 54.000 -0.299 0.000 0.857 293 D CB -0.336 40.144 40.800 -0.534 0.000 0.934 293 D HN 0.733 nan 8.370 nan 0.000 0.475 294 W N -0.292 120.970 121.300 -0.064 0.000 3.211 294 W HA 0.361 5.021 4.660 -0.000 0.000 0.292 294 W C 1.535 178.004 176.519 -0.084 0.000 1.268 294 W CA 0.437 57.732 57.345 -0.083 0.000 1.702 294 W CB 0.623 30.009 29.460 -0.124 0.000 1.092 294 W HN 0.070 nan 8.180 nan 0.000 0.643 295 G N 0.588 109.435 108.800 0.078 0.000 2.205 295 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.180 295 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.180 295 G C -0.503 174.400 174.900 0.005 0.000 1.004 295 G CA -0.161 44.955 45.100 0.028 0.000 0.670 295 G HN 0.320 nan 8.290 nan 0.000 0.496 296 D N -1.540 118.856 120.400 -0.008 0.000 2.596 296 D HA 0.684 5.324 4.640 -0.000 0.000 0.262 296 D C 0.446 176.741 176.300 -0.008 0.000 1.210 296 D CA -0.005 53.987 54.000 -0.013 0.000 0.873 296 D CB 0.791 41.532 40.800 -0.098 0.000 1.408 296 D HN -0.068 nan 8.370 nan 0.000 0.441 297 S N -1.296 114.442 115.700 0.063 0.000 2.539 297 S HA 0.081 4.551 4.470 -0.000 0.000 0.221 297 S C 0.322 174.984 174.600 0.103 0.000 0.987 297 S CA -0.334 57.909 58.200 0.071 0.000 0.929 297 S CB -0.367 62.883 63.200 0.083 0.000 0.832 297 S HN 0.580 nan 8.310 nan 0.000 0.492 298 Y N -0.685 119.614 120.300 -0.001 0.000 2.444 298 Y HA 0.586 5.136 4.550 -0.000 0.000 0.249 298 Y C 1.015 176.910 175.900 -0.008 0.000 1.134 298 Y CA 0.094 58.190 58.100 -0.007 0.000 1.261 298 Y CB -0.119 38.332 38.460 -0.015 0.000 1.143 298 Y HN 0.071 nan 8.280 nan 0.000 0.523 299 G N 1.596 110.159 108.800 -0.395 0.000 2.226 299 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.176 299 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.176 299 G C 0.265 174.938 174.900 -0.380 0.000 1.042 299 G CA 0.292 45.223 45.100 -0.281 0.000 0.732 299 G HN 0.463 nan 8.290 nan 0.000 0.494 300 N N 0.176 118.482 118.700 -0.657 0.000 2.418 300 N HA 0.080 4.820 4.740 -0.000 0.000 0.199 300 N C 2.235 177.513 175.510 -0.387 0.000 1.044 300 N CA 0.989 53.744 53.050 -0.492 0.000 0.943 300 N CB -0.062 38.058 38.487 -0.611 0.000 1.154 300 N HN 0.452 nan 8.380 nan 0.000 0.467 301 R N 0.398 120.687 120.500 -0.352 0.000 2.120 301 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 301 R C 2.088 178.154 176.300 -0.389 0.000 1.123 301 R CA 0.919 56.870 56.100 -0.249 0.000 0.975 301 R CB -0.540 29.713 30.300 -0.077 0.000 0.866 301 R HN 0.130 nan 8.270 nan 0.000 0.446 302 V N 1.435 121.091 119.914 -0.431 0.000 2.469 302 V HA -0.199 3.921 4.120 -0.000 0.000 0.251 302 V C 0.280 175.773 176.094 -1.002 0.000 1.064 302 V CA 1.965 63.734 62.300 -0.886 0.000 1.066 302 V CB -0.117 31.370 31.823 -0.561 0.000 0.667 302 V HN 0.244 nan 8.190 nan 0.000 0.461 303 D N 0.255 120.220 120.400 -0.726 0.000 2.615 303 D HA 0.209 4.849 4.640 -0.000 0.000 0.236 303 D C 0.062 175.775 176.300 -0.978 0.000 1.233 303 D CA -0.086 53.449 54.000 -0.775 0.000 0.829 303 D CB -0.046 40.685 40.800 -0.115 0.000 1.024 303 D HN 0.297 nan 8.370 nan 0.000 0.490 304 R N 0.970 120.831 120.500 -1.065 0.000 2.287 304 R HA 0.288 4.628 4.340 -0.000 0.000 0.327 304 R C -0.475 175.404 176.300 -0.700 0.000 1.109 304 R CA -0.410 55.184 56.100 -0.844 0.000 1.013 304 R CB -0.431 29.168 30.300 -1.168 0.000 1.126 304 R HN -0.038 nan 8.270 nan 0.000 0.503 305 F N 2.488 122.382 119.950 -0.092 0.000 2.422 305 F HA 0.530 5.057 4.527 -0.000 0.000 0.333 305 F C 0.698 176.586 175.800 0.147 0.000 1.095 305 F CA -0.654 57.371 58.000 0.042 0.000 1.038 305 F CB 1.186 40.197 39.000 0.019 0.000 1.156 305 F HN 0.079 nan 8.300 nan 0.000 0.483 306 L N 1.595 123.046 121.223 0.380 0.000 2.303 306 L HA 0.990 5.330 4.340 -0.000 0.000 0.256 306 L C -0.707 176.326 176.870 0.271 0.000 1.034 306 L CA -1.184 53.815 54.840 0.264 0.000 0.832 306 L CB 2.184 44.353 42.059 0.183 0.000 1.403 306 L HN 0.741 nan 8.230 nan 0.000 0.419 307 A N -0.312 122.624 122.820 0.194 0.000 2.610 307 A HA 0.938 5.258 4.320 -0.000 0.000 0.291 307 A C -0.984 176.695 177.584 0.159 0.000 1.086 307 A CA 0.040 52.187 52.037 0.184 0.000 0.677 307 A CB 1.869 20.975 19.000 0.177 0.000 1.278 307 A HN 0.863 nan 8.150 nan 0.000 0.414 308 G N -0.455 108.436 108.800 0.151 0.000 2.623 308 G HA2 0.571 4.531 3.960 -0.000 0.000 0.290 308 G HA3 0.571 4.531 3.960 -0.000 0.000 0.290 308 G C -1.729 173.231 174.900 0.101 0.000 1.437 308 G CA -0.527 44.678 45.100 0.174 0.000 0.798 308 G HN 0.626 nan 8.290 nan 0.000 0.488 309 I N 0.865 121.476 120.570 0.068 0.000 2.404 309 I HA 0.711 4.881 4.170 -0.000 0.000 0.293 309 I C 0.230 176.362 176.117 0.025 0.000 0.992 309 I CA -0.913 60.341 61.300 -0.076 0.000 1.149 309 I CB 1.014 38.780 38.000 -0.389 0.000 1.315 309 I HN 0.764 nan 8.210 nan 0.000 0.446 310 A N 5.905 128.749 122.820 0.039 0.000 2.427 310 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 310 A C -1.573 176.117 177.584 0.176 0.000 1.036 310 A CA -0.488 51.648 52.037 0.166 0.000 0.701 310 A CB 0.888 19.987 19.000 0.165 0.000 1.250 310 A HN 0.485 nan 8.150 nan 0.000 0.412 311 Y N 3.701 124.024 120.300 0.038 0.000 2.636 311 Y HA 0.215 4.765 4.550 -0.000 0.000 0.334 311 Y C 1.271 177.217 175.900 0.076 0.000 1.286 311 Y CA -0.457 57.673 58.100 0.050 0.000 1.688 311 Y CB -0.169 38.321 38.460 0.050 0.000 1.662 311 Y HN 0.639 nan 8.280 nan 0.000 0.465 312 L N 0.377 121.708 121.223 0.181 0.000 2.131 312 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 312 L C 1.627 178.590 176.870 0.156 0.000 1.092 312 L CA 1.475 56.450 54.840 0.225 0.000 0.759 312 L CB -0.130 42.096 42.059 0.278 0.000 0.903 312 L HN 0.448 nan 8.230 nan 0.000 0.435 313 D N -0.962 119.504 120.400 0.110 0.000 2.339 313 D HA 0.071 4.711 4.640 -0.000 0.000 0.217 313 D C 1.485 177.824 176.300 0.066 0.000 1.050 313 D CA 0.644 54.686 54.000 0.070 0.000 0.856 313 D CB 0.287 41.127 40.800 0.065 0.000 0.922 313 D HN 0.217 nan 8.370 nan 0.000 0.518 314 G N 0.156 109.027 108.800 0.120 0.000 2.179 314 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.260 314 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.260 314 G C 0.790 175.819 174.900 0.215 0.000 0.977 314 G CA 0.653 45.833 45.100 0.134 0.000 0.641 314 G HN 0.535 nan 8.290 nan 0.000 0.533 315 Q N -1.277 118.685 119.800 0.270 0.000 2.519 315 Q HA 0.275 4.615 4.340 -0.000 0.000 0.248 315 Q C 1.011 177.237 176.000 0.376 0.000 0.804 315 Q CA -0.074 55.923 55.803 0.324 0.000 0.979 315 Q CB 0.904 29.784 28.738 0.237 0.000 1.282 315 Q HN 0.525 nan 8.270 nan 0.000 0.558 316 R N 1.225 121.793 120.500 0.114 0.000 2.807 316 R HA 0.495 4.835 4.340 -0.000 0.000 0.276 316 R C -2.677 173.184 176.300 -0.732 0.000 0.979 316 R CA -2.108 53.874 56.100 -0.197 0.000 0.928 316 R CB 1.930 32.215 30.300 -0.024 0.000 1.191 316 R HN 0.113 nan 8.270 nan 0.000 0.471 317 P HA 0.106 nan 4.420 nan 0.000 0.275 317 P C -0.867 176.239 177.300 -0.323 0.000 1.228 317 P CA -0.128 62.456 63.100 -0.861 0.000 0.786 317 P CB 1.270 32.655 31.700 -0.525 0.000 0.927 318 S N 1.144 116.709 115.700 -0.224 0.000 2.638 318 S HA 0.553 5.023 4.470 -0.000 0.000 0.302 318 S C -0.593 173.966 174.600 -0.068 0.000 1.096 318 S CA -0.607 57.534 58.200 -0.097 0.000 0.953 318 S CB 1.132 64.283 63.200 -0.081 0.000 1.107 318 S HN 0.416 nan 8.310 nan 0.000 0.503 319 L N 2.766 123.984 121.223 -0.009 0.000 2.296 319 L HA 0.608 4.948 4.340 -0.000 0.000 0.286 319 L C -1.431 175.465 176.870 0.044 0.000 1.023 319 L CA -0.300 54.559 54.840 0.032 0.000 0.812 319 L CB 0.582 42.676 42.059 0.058 0.000 1.223 319 L HN 0.461 nan 8.230 nan 0.000 0.421 320 I N 6.329 126.925 120.570 0.044 0.000 2.378 320 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 320 I C -0.492 175.695 176.117 0.117 0.000 0.992 320 I CA -0.564 60.752 61.300 0.027 0.000 1.154 320 I CB 1.553 39.583 38.000 0.051 0.000 1.315 320 I HN 0.572 nan 8.210 nan 0.000 0.448 321 M N 5.736 125.418 119.600 0.138 0.000 2.311 321 M HA 0.433 4.913 4.480 -0.000 0.000 0.325 321 M C 0.142 176.570 176.300 0.212 0.000 1.061 321 M CA -0.536 54.893 55.300 0.215 0.000 0.957 321 M CB 1.752 34.471 32.600 0.198 0.000 1.646 321 M HN 0.685 nan 8.290 nan 0.000 0.434 322 T N 0.685 115.430 114.554 0.319 0.000 2.924 322 T HA 0.875 5.225 4.350 -0.000 0.000 0.291 322 T C -0.712 174.203 174.700 0.357 0.000 1.045 322 T CA -0.907 61.374 62.100 0.302 0.000 1.015 322 T CB 2.973 72.060 68.868 0.366 0.000 1.103 322 T HN 0.792 nan 8.240 nan 0.000 0.496 323 R N 0.390 121.019 120.500 0.214 0.000 2.548 323 R HA 0.570 4.910 4.340 -0.000 0.000 0.280 323 R C -0.324 175.930 176.300 -0.076 0.000 1.061 323 R CA 0.356 56.400 56.100 -0.092 0.000 0.915 323 R CB 1.288 31.498 30.300 -0.149 0.000 1.210 323 R HN 1.599 nan 8.270 nan 0.000 0.442 324 G N 2.712 111.309 108.800 -0.338 0.000 2.722 324 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.686 324 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.686 324 G C -0.660 174.245 174.900 0.010 0.000 1.282 324 G CA 0.153 45.164 45.100 -0.147 0.000 0.817 324 G HN 0.868 nan 8.290 nan 0.000 0.605 325 Y N -3.123 117.183 120.300 0.011 0.000 2.493 325 Y HA 0.287 4.836 4.550 -0.000 0.000 0.295 325 Y C 2.091 177.926 175.900 -0.108 0.000 0.999 325 Y CA 0.173 58.263 58.100 -0.017 0.000 1.010 325 Y CB -0.172 38.170 38.460 -0.197 0.000 1.402 325 Y HN 0.455 nan 8.280 nan 0.000 0.586 326 Y N 1.887 122.204 120.300 0.029 0.000 2.293 326 Y HA 0.228 4.778 4.550 -0.000 0.000 0.291 326 Y C 1.867 177.786 175.900 0.032 0.000 1.137 326 Y CA 1.307 59.407 58.100 0.000 0.000 1.202 326 Y CB -0.127 38.264 38.460 -0.116 0.000 0.990 326 Y HN 0.408 nan 8.280 nan 0.000 0.537 327 A N -0.598 122.337 122.820 0.191 0.000 2.841 327 A HA 0.263 4.582 4.320 -0.000 0.000 0.188 327 A C -0.278 177.369 177.584 0.105 0.000 1.149 327 A CA -0.612 51.496 52.037 0.118 0.000 1.384 327 A CB -0.376 18.672 19.000 0.079 0.000 1.874 327 A HN -0.067 nan 8.150 nan 0.000 0.643 328 K N 1.021 121.450 120.400 0.048 0.000 2.530 328 K HA 0.212 4.532 4.320 -0.000 0.000 0.280 328 K C -1.158 175.541 176.600 0.165 0.000 1.004 328 K CA 1.089 57.357 56.287 -0.031 0.000 1.071 328 K CB -0.060 32.221 32.500 -0.365 0.000 0.876 328 K HN 0.487 nan 8.250 nan 0.000 0.487 329 T N 5.434 120.062 114.554 0.123 0.000 2.921 329 T HA 0.440 4.790 4.350 -0.000 0.000 0.297 329 T C -0.693 174.073 174.700 0.110 0.000 1.013 329 T CA -0.701 61.514 62.100 0.193 0.000 0.990 329 T CB 0.965 69.913 68.868 0.134 0.000 1.023 329 T HN 0.548 nan 8.240 nan 0.000 0.447 330 M N 3.355 123.065 119.600 0.183 0.000 2.457 330 M HA 0.619 5.099 4.480 -0.000 0.000 0.300 330 M C -1.705 174.621 176.300 0.044 0.000 1.141 330 M CA -0.892 54.475 55.300 0.111 0.000 0.901 330 M CB 2.215 34.958 32.600 0.239 0.000 1.687 330 M HN 0.306 nan 8.290 nan 0.000 0.449 331 L N 2.465 123.695 121.223 0.012 0.000 2.410 331 L HA 0.778 5.118 4.340 -0.000 0.000 0.270 331 L C -0.997 175.912 176.870 0.065 0.000 0.983 331 L CA -0.588 54.278 54.840 0.043 0.000 0.822 331 L CB 2.237 44.322 42.059 0.043 0.000 1.285 331 L HN 0.388 nan 8.230 nan 0.000 0.409 332 V N 1.552 121.400 119.914 -0.110 0.000 2.656 332 V HA 0.890 5.010 4.120 -0.000 0.000 0.307 332 V C -0.238 175.429 176.094 -0.711 0.000 1.051 332 V CA -0.715 61.345 62.300 -0.400 0.000 0.893 332 V CB 1.845 33.424 31.823 -0.408 0.000 0.999 332 V HN 0.836 nan 8.190 nan 0.000 0.426 333 A N 4.071 126.162 122.820 -1.214 0.000 2.324 333 A HA 0.928 5.248 4.320 -0.000 0.000 0.330 333 A C -1.494 175.554 177.584 -0.892 0.000 1.165 333 A CA -0.386 50.974 52.037 -1.127 0.000 0.813 333 A CB 0.848 18.744 19.000 -1.839 0.000 1.197 333 A HN 0.753 nan 8.150 nan 0.000 0.484 334 Y N 0.765 120.855 120.300 -0.350 0.000 2.545 334 Y HA 0.458 5.007 4.550 -0.000 0.000 0.348 334 Y C 0.037 175.859 175.900 -0.130 0.000 1.002 334 Y CA -1.007 56.972 58.100 -0.202 0.000 1.039 334 Y CB 2.103 40.483 38.460 -0.134 0.000 1.271 334 Y HN 0.655 nan 8.280 nan 0.000 0.467 335 N N 1.195 119.952 118.700 0.096 0.000 2.417 335 N HA 0.350 5.090 4.740 -0.000 0.000 0.300 335 N C -1.815 173.796 175.510 0.168 0.000 1.102 335 N CA -0.572 52.528 53.050 0.083 0.000 0.886 335 N CB 1.630 40.129 38.487 0.018 0.000 1.203 335 N HN 0.544 nan 8.380 nan 0.000 0.496 336 F N 2.366 122.318 119.950 0.002 0.000 2.430 336 F HA 0.490 5.017 4.527 -0.000 0.000 0.362 336 F C -0.573 175.230 175.800 0.005 0.000 1.103 336 F CA -0.525 57.474 58.000 -0.003 0.000 1.045 336 F CB 0.397 39.391 39.000 -0.010 0.000 1.276 336 F HN 0.275 nan 8.300 nan 0.000 0.444 337 R N 4.127 124.357 120.500 -0.450 0.000 2.668 337 R HA 0.294 4.634 4.340 -0.000 0.000 0.272 337 R C -1.072 174.999 176.300 -0.382 0.000 1.019 337 R CA -0.931 54.948 56.100 -0.368 0.000 0.894 337 R CB 1.717 31.928 30.300 -0.149 0.000 1.228 337 R HN 0.592 nan 8.270 nan 0.000 0.460 338 D N 1.061 121.276 120.400 -0.308 0.000 2.751 338 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 338 D C 0.772 176.925 176.300 -0.245 0.000 1.149 338 D CA 1.783 55.656 54.000 -0.213 0.000 0.682 338 D CB -0.966 39.757 40.800 -0.128 0.000 1.068 338 D HN 1.095 nan 8.370 nan 0.000 0.429 339 G N -0.489 108.062 108.800 -0.415 0.000 2.162 339 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 339 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 339 G C 0.177 174.972 174.900 -0.176 0.000 0.976 339 G CA 0.925 45.854 45.100 -0.286 0.000 0.655 339 G HN 0.505 nan 8.290 nan 0.000 0.533 340 K N -0.539 119.700 120.400 -0.269 0.000 2.324 340 K HA 0.654 4.974 4.320 -0.000 0.000 0.253 340 K C -0.937 175.698 176.600 0.058 0.000 0.932 340 K CA -1.130 55.129 56.287 -0.047 0.000 0.799 340 K CB 2.567 35.038 32.500 -0.047 0.000 1.154 340 K HN 0.072 nan 8.250 nan 0.000 0.425 341 L N 2.484 123.825 121.223 0.197 0.000 2.265 341 L HA 0.277 4.617 4.340 -0.000 0.000 0.288 341 L C -0.591 176.360 176.870 0.134 0.000 1.058 341 L CA 0.365 55.331 54.840 0.210 0.000 0.809 341 L CB 1.000 43.139 42.059 0.133 0.000 1.179 341 L HN 0.761 nan 8.230 nan 0.000 0.429 342 S N 3.784 119.570 115.700 0.142 0.000 2.526 342 S HA 0.570 5.040 4.470 -0.000 0.000 0.293 342 S C -0.689 173.968 174.600 0.095 0.000 1.092 342 S CA -1.003 57.253 58.200 0.095 0.000 0.980 342 S CB 1.574 64.794 63.200 0.032 0.000 1.048 342 S HN 0.637 nan 8.310 nan 0.000 0.483 343 K N 2.030 122.430 120.400 -0.001 0.000 2.234 343 K HA 0.470 4.790 4.320 -0.000 0.000 0.282 343 K C 0.073 176.542 176.600 -0.218 0.000 1.039 343 K CA -0.693 55.450 56.287 -0.241 0.000 0.928 343 K CB 0.521 32.863 32.500 -0.263 0.000 1.039 343 K HN 0.794 nan 8.250 nan 0.000 0.470 344 L N 3.630 124.644 121.223 -0.349 0.000 2.362 344 L HA 0.326 4.666 4.340 -0.000 0.000 0.204 344 L C 0.373 177.195 176.870 -0.080 0.000 1.060 344 L CA -0.152 54.552 54.840 -0.227 0.000 0.827 344 L CB -0.006 41.863 42.059 -0.316 0.000 1.027 344 L HN 0.714 nan 8.230 nan 0.000 0.474 345 W N -2.120 119.070 121.300 -0.184 0.000 2.982 345 W HA 0.513 5.173 4.660 -0.000 0.000 0.344 345 W C -1.545 174.851 176.519 -0.204 0.000 1.215 345 W CA -0.734 56.511 57.345 -0.168 0.000 1.182 345 W CB 0.980 30.355 29.460 -0.141 0.000 1.437 345 W HN -0.440 nan 8.180 nan 0.000 0.570 346 T N 2.424 117.173 114.554 0.326 0.000 2.886 346 T HA 0.473 4.823 4.350 -0.000 0.000 0.292 346 T C -1.335 173.470 174.700 0.175 0.000 1.012 346 T CA -0.554 61.675 62.100 0.216 0.000 0.982 346 T CB 2.157 71.048 68.868 0.038 0.000 1.018 346 T HN 0.388 nan 8.240 nan 0.000 0.451 347 L N 3.214 124.516 121.223 0.131 0.000 2.313 347 L HA 0.724 5.064 4.340 -0.000 0.000 0.283 347 L C -1.109 175.730 176.870 -0.052 0.000 1.013 347 L CA -0.263 54.530 54.840 -0.078 0.000 0.816 347 L CB 1.278 43.192 42.059 -0.243 0.000 1.236 347 L HN 0.520 nan 8.230 nan 0.000 0.419 348 D N 1.733 122.098 120.400 -0.059 0.000 2.542 348 D HA 0.222 4.862 4.640 -0.000 0.000 0.252 348 D C 0.752 177.030 176.300 -0.036 0.000 1.222 348 D CA 0.157 54.132 54.000 -0.042 0.000 0.895 348 D CB 1.881 42.657 40.800 -0.041 0.000 1.207 348 D HN 0.603 nan 8.370 nan 0.000 0.558 349 S N 1.714 117.402 115.700 -0.021 0.000 2.474 349 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 349 S C 1.668 176.253 174.600 -0.026 0.000 0.997 349 S CA 1.220 59.433 58.200 0.022 0.000 0.949 349 S CB -0.264 62.962 63.200 0.044 0.000 0.766 349 S HN 0.371 nan 8.310 nan 0.000 0.517 350 S N 0.575 116.226 115.700 -0.082 0.000 2.562 350 S HA 0.192 4.661 4.470 -0.000 0.000 0.221 350 S C 0.600 175.156 174.600 -0.073 0.000 0.975 350 S CA -0.274 57.863 58.200 -0.104 0.000 0.918 350 S CB -0.268 62.827 63.200 -0.175 0.000 0.772 350 S HN 0.223 nan 8.310 nan 0.000 0.531 351 K N 2.571 122.940 120.400 -0.052 0.000 2.218 351 K HA 0.285 4.605 4.320 -0.000 0.000 0.276 351 K C 0.085 176.671 176.600 -0.025 0.000 1.022 351 K CA -0.096 56.167 56.287 -0.039 0.000 0.946 351 K CB 1.212 33.690 32.500 -0.036 0.000 1.000 351 K HN 0.217 nan 8.250 nan 0.000 0.468 352 S N 0.627 116.311 115.700 -0.027 0.000 2.575 352 S HA 0.211 4.681 4.470 -0.000 0.000 0.295 352 S C 1.214 175.808 174.600 -0.010 0.000 1.267 352 S CA 1.405 59.592 58.200 -0.022 0.000 1.074 352 S CB -0.368 62.818 63.200 -0.024 0.000 0.829 352 S HN 0.787 nan 8.310 nan 0.000 0.497 353 G N 4.819 113.615 108.800 -0.006 0.000 2.213 353 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 353 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 353 G C 0.516 175.451 174.900 0.060 0.000 0.991 353 G CA 0.223 45.330 45.100 0.012 0.000 0.629 353 G HN 0.655 nan 8.290 nan 0.000 0.517 354 N N 0.600 119.345 118.700 0.075 0.000 2.214 354 N HA 0.257 4.997 4.740 -0.000 0.000 0.214 354 N C 1.494 177.068 175.510 0.106 0.000 1.132 354 N CA 0.633 53.814 53.050 0.217 0.000 0.856 354 N CB 0.322 38.912 38.487 0.171 0.000 1.020 354 N HN 0.506 nan 8.380 nan 0.000 0.509 355 E N 1.124 121.306 120.200 -0.031 0.000 2.160 355 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 355 E C 1.765 178.268 176.600 -0.162 0.000 0.991 355 E CA 1.115 57.468 56.400 -0.077 0.000 0.810 355 E CB -0.130 29.524 29.700 -0.077 0.000 0.742 355 E HN 0.329 nan 8.360 nan 0.000 0.466 356 A N -0.103 122.500 122.820 -0.362 0.000 2.121 356 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 356 A C 1.049 178.298 177.584 -0.560 0.000 1.154 356 A CA 0.720 52.438 52.037 -0.532 0.000 0.679 356 A CB -0.419 18.131 19.000 -0.750 0.000 0.795 356 A HN 0.219 nan 8.150 nan 0.000 0.458 357 F N -0.257 119.671 119.950 -0.038 0.000 2.645 357 F HA 0.498 5.024 4.527 -0.000 0.000 0.300 357 F C 1.124 176.914 175.800 -0.017 0.000 1.115 357 F CA -0.318 57.654 58.000 -0.046 0.000 1.355 357 F CB -0.296 38.643 39.000 -0.101 0.000 1.026 357 F HN 0.176 nan 8.300 nan 0.000 0.536 358 A N -0.369 122.497 122.820 0.076 0.000 2.303 358 A HA 0.616 4.936 4.320 -0.000 0.000 0.317 358 A C 1.322 178.960 177.584 0.090 0.000 1.149 358 A CA 0.101 52.187 52.037 0.081 0.000 0.822 358 A CB 0.257 19.276 19.000 0.032 0.000 1.131 358 A HN 0.747 nan 8.150 nan 0.000 0.493 359 G N 0.304 109.183 108.800 0.132 0.000 2.143 359 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 359 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 359 G C 0.435 175.413 174.900 0.130 0.000 0.991 359 G CA 0.687 45.865 45.100 0.130 0.000 0.689 359 G HN 0.657 nan 8.290 nan 0.000 0.522 360 Q N -0.472 119.423 119.800 0.158 0.000 2.316 360 Q HA 0.247 4.587 4.340 -0.000 0.000 0.235 360 Q C 1.613 177.647 176.000 0.056 0.000 0.863 360 Q CA 0.705 56.584 55.803 0.126 0.000 0.939 360 Q CB 0.440 29.269 28.738 0.152 0.000 1.108 360 Q HN 0.687 nan 8.270 nan 0.000 0.522 361 G N 1.399 110.243 108.800 0.075 0.000 2.569 361 G HA2 0.278 4.238 3.960 -0.000 0.000 0.249 361 G HA3 0.278 4.238 3.960 -0.000 0.000 0.249 361 G C -0.078 174.404 174.900 -0.696 0.000 1.216 361 G CA -0.224 44.632 45.100 -0.407 0.000 0.845 361 G HN 0.030 nan 8.290 nan 0.000 0.568 362 N N -1.201 116.894 118.700 -1.007 0.000 2.478 362 N HA 0.269 5.009 4.740 -0.000 0.000 0.275 362 N C 0.647 175.342 175.510 -1.358 0.000 1.221 362 N CA -0.674 51.748 53.050 -1.048 0.000 0.979 362 N CB 0.569 38.595 38.487 -0.768 0.000 1.202 362 N HN 0.457 nan 8.380 nan 0.000 0.564 363 H N 0.215 118.825 119.070 -0.768 0.000 2.787 363 H HA 0.189 4.745 4.556 -0.000 0.000 0.302 363 H C -0.449 174.634 175.328 -0.409 0.000 1.098 363 H CA 0.194 55.895 56.048 -0.578 0.000 1.192 363 H CB -1.025 28.487 29.762 -0.416 0.000 1.316 363 H HN 0.434 nan 8.280 nan 0.000 0.590 364 N N 0.190 118.610 118.700 -0.466 0.000 3.348 364 N HA 0.258 4.998 4.740 -0.000 0.000 0.233 364 N C -1.377 173.761 175.510 -0.620 0.000 1.440 364 N CA -0.747 52.037 53.050 -0.444 0.000 0.887 364 N CB 1.815 40.076 38.487 -0.376 0.000 1.410 364 N HN 0.010 nan 8.380 nan 0.000 0.502 365 L N -3.160 117.636 121.223 -0.712 0.000 2.502 365 L HA 0.889 5.228 4.340 -0.000 0.000 0.253 365 L C -0.754 175.509 176.870 -1.011 0.000 1.070 365 L CA -0.688 53.741 54.840 -0.685 0.000 0.871 365 L CB 1.429 43.243 42.059 -0.409 0.000 1.487 365 L HN 0.659 nan 8.230 nan 0.000 0.408 366 S N 0.634 115.964 115.700 -0.617 0.000 2.632 366 S HA 0.904 5.374 4.470 -0.000 0.000 0.289 366 S C -1.082 173.482 174.600 -0.059 0.000 1.115 366 S CA -0.521 57.427 58.200 -0.420 0.000 0.889 366 S CB 1.874 64.968 63.200 -0.177 0.000 1.116 366 S HN 0.542 nan 8.310 nan 0.000 0.486 367 I N 1.524 122.229 120.570 0.225 0.000 2.499 367 I HA 0.775 4.945 4.170 -0.000 0.000 0.288 367 I C -0.307 175.930 176.117 0.201 0.000 1.048 367 I CA -0.412 61.019 61.300 0.219 0.000 1.062 367 I CB 0.899 39.075 38.000 0.293 0.000 1.238 367 I HN 0.837 nan 8.210 nan 0.000 0.426 368 A N 4.073 126.978 122.820 0.141 0.000 2.599 368 A HA 0.474 4.794 4.320 -0.000 0.000 0.294 368 A C -1.400 176.245 177.584 0.102 0.000 1.055 368 A CA -0.654 51.454 52.037 0.119 0.000 0.683 368 A CB 1.527 20.592 19.000 0.109 0.000 1.278 368 A HN 0.608 nan 8.150 nan 0.000 0.412 369 D N 1.681 122.135 120.400 0.089 0.000 2.359 369 D HA 0.288 4.928 4.640 -0.000 0.000 0.250 369 D C 1.212 177.559 176.300 0.078 0.000 1.264 369 D CA 0.651 54.700 54.000 0.081 0.000 0.911 369 D CB 0.854 41.693 40.800 0.064 0.000 1.056 369 D HN 0.828 nan 8.370 nan 0.000 0.499 370 V N 1.262 121.225 119.914 0.082 0.000 3.174 370 V HA 0.101 4.221 4.120 -0.000 0.000 0.254 370 V C 0.989 177.128 176.094 0.075 0.000 1.120 370 V CA 1.009 63.356 62.300 0.078 0.000 1.114 370 V CB -0.099 31.776 31.823 0.088 0.000 0.756 370 V HN 0.449 nan 8.190 nan 0.000 0.467 371 D N 0.111 120.557 120.400 0.076 0.000 2.398 371 D HA 0.286 4.926 4.640 -0.000 0.000 0.210 371 D C 1.600 177.935 176.300 0.058 0.000 1.094 371 D CA 0.452 54.494 54.000 0.070 0.000 0.839 371 D CB 0.204 41.052 40.800 0.079 0.000 0.963 371 D HN 0.823 nan 8.370 nan 0.000 0.506 372 G N 1.845 110.678 108.800 0.055 0.000 2.143 372 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 372 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 372 G C 0.446 175.366 174.900 0.033 0.000 0.991 372 G CA 0.463 45.590 45.100 0.044 0.000 0.689 372 G HN 0.532 nan 8.290 nan 0.000 0.522 373 D N -0.642 119.775 120.400 0.028 0.000 2.339 373 D HA 0.382 5.022 4.640 -0.000 0.000 0.217 373 D C 1.871 178.161 176.300 -0.016 0.000 1.050 373 D CA 0.688 54.689 54.000 0.003 0.000 0.856 373 D CB -0.464 40.332 40.800 -0.008 0.000 0.922 373 D HN 1.515 nan 8.370 nan 0.000 0.518 374 G N 0.030 108.833 108.800 0.005 0.000 2.225 374 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 374 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 374 G C 0.182 175.092 174.900 0.016 0.000 0.988 374 G CA 0.285 45.391 45.100 0.011 0.000 0.625 374 G HN 0.491 nan 8.290 nan 0.000 0.527 375 K N 1.061 121.450 120.400 -0.018 0.000 2.138 375 K HA 0.498 4.818 4.320 -0.000 0.000 0.263 375 K C -0.968 175.679 176.600 0.078 0.000 0.965 375 K CA -0.922 55.358 56.287 -0.011 0.000 0.868 375 K CB 1.178 33.521 32.500 -0.261 0.000 1.083 375 K HN 0.055 nan 8.250 nan 0.000 0.443 376 D N 2.437 122.925 120.400 0.147 0.000 2.304 376 D HA 0.119 4.759 4.640 -0.000 0.000 0.250 376 D C -0.172 176.239 176.300 0.184 0.000 1.107 376 D CA 0.026 54.123 54.000 0.163 0.000 0.885 376 D CB 1.240 42.156 40.800 0.193 0.000 1.192 376 D HN 0.336 nan 8.370 nan 0.000 0.436 377 E N 0.462 120.746 120.200 0.140 0.000 2.243 377 E HA 0.575 4.925 4.350 -0.000 0.000 0.260 377 E C -0.383 176.272 176.600 0.091 0.000 0.985 377 E CA -0.646 55.815 56.400 0.103 0.000 0.858 377 E CB 1.544 31.281 29.700 0.062 0.000 1.210 377 E HN 0.281 nan 8.360 nan 0.000 0.411 378 I N 1.794 122.394 120.570 0.050 0.000 2.389 378 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 378 I C -0.706 175.415 176.117 0.006 0.000 0.999 378 I CA -0.666 60.669 61.300 0.057 0.000 1.129 378 I CB 1.024 39.084 38.000 0.101 0.000 1.288 378 I HN 0.213 nan 8.210 nan 0.000 0.444 379 I N 6.699 127.264 120.570 -0.009 0.000 2.291 379 I HA 0.127 4.297 4.170 -0.000 0.000 0.292 379 I C -0.439 175.647 176.117 -0.052 0.000 1.064 379 I CA -0.053 61.219 61.300 -0.047 0.000 1.269 379 I CB 0.103 38.059 38.000 -0.074 0.000 1.418 379 I HN 0.482 nan 8.210 nan 0.000 0.485 380 F N 6.484 126.329 119.950 -0.176 0.000 2.334 380 F HA 0.538 5.065 4.527 -0.000 0.000 0.343 380 F C 1.144 176.838 175.800 -0.175 0.000 1.136 380 F CA 0.166 58.063 58.000 -0.172 0.000 1.237 380 F CB 0.183 39.114 39.000 -0.115 0.000 1.525 380 F HN 0.761 nan 8.300 nan 0.000 0.528 381 G N 1.944 110.532 108.800 -0.353 0.000 2.602 381 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.310 381 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.310 381 G C 1.120 175.948 174.900 -0.119 0.000 1.183 381 G CA 0.417 45.324 45.100 -0.322 0.000 0.979 381 G HN 0.445 nan 8.290 nan 0.000 0.545 382 S N 1.501 117.190 115.700 -0.018 0.000 2.593 382 S HA 0.347 4.817 4.470 -0.000 0.000 0.217 382 S C 0.989 175.682 174.600 0.154 0.000 0.966 382 S CA 1.443 59.699 58.200 0.094 0.000 0.914 382 S CB -0.378 62.886 63.200 0.107 0.000 0.776 382 S HN 0.751 nan 8.310 nan 0.000 0.523 383 M N -0.295 119.370 119.600 0.107 0.000 2.727 383 M HA 0.892 5.372 4.480 -0.000 0.000 0.300 383 M C -1.418 174.756 176.300 -0.211 0.000 1.246 383 M CA -1.081 54.230 55.300 0.017 0.000 0.835 383 M CB 1.903 34.617 32.600 0.189 0.000 1.755 383 M HN -0.108 nan 8.290 nan 0.000 0.473 384 A N 1.045 123.524 122.820 -0.568 0.000 2.475 384 A HA 0.815 5.135 4.320 -0.000 0.000 0.301 384 A C -1.454 175.863 177.584 -0.444 0.000 1.059 384 A CA -0.732 50.990 52.037 -0.524 0.000 0.710 384 A CB 2.061 20.585 19.000 -0.792 0.000 1.288 384 A HN 0.694 nan 8.150 nan 0.000 0.408 385 V N 1.889 121.609 119.914 -0.324 0.000 2.540 385 V HA 0.356 4.476 4.120 -0.000 0.000 0.302 385 V C -0.411 175.503 176.094 -0.299 0.000 1.035 385 V CA -0.668 61.397 62.300 -0.391 0.000 0.873 385 V CB 1.764 33.368 31.823 -0.366 0.000 0.992 385 V HN 1.001 nan 8.190 nan 0.000 0.428 386 D N 1.788 121.957 120.400 -0.384 0.000 2.398 386 D HA 0.102 4.742 4.640 -0.000 0.000 0.247 386 D C 1.556 177.664 176.300 -0.320 0.000 1.227 386 D CA -0.153 53.665 54.000 -0.304 0.000 0.980 386 D CB 0.724 41.298 40.800 -0.377 0.000 1.106 386 D HN 0.805 nan 8.370 nan 0.000 0.493 387 H N 0.264 119.275 119.070 -0.099 0.000 2.518 387 H HA -0.098 4.458 4.556 -0.000 0.000 0.289 387 H C 0.232 175.570 175.328 0.016 0.000 1.051 387 H CA 1.274 57.343 56.048 0.036 0.000 1.280 387 H CB 0.099 29.905 29.762 0.072 0.000 1.380 387 H HN 0.324 nan 8.280 nan 0.000 0.566 388 D N -0.854 119.107 120.400 -0.733 0.000 2.363 388 D HA 0.144 4.784 4.640 -0.000 0.000 0.214 388 D C 1.568 177.042 176.300 -1.377 0.000 1.093 388 D CA 0.348 53.930 54.000 -0.696 0.000 0.837 388 D CB -0.081 40.380 40.800 -0.564 0.000 0.948 388 D HN 0.531 nan 8.370 nan 0.000 0.507 389 G N 0.278 107.927 108.800 -1.918 0.000 2.175 389 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 389 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 389 G C 0.178 174.409 174.900 -1.115 0.000 0.982 389 G CA -0.125 43.564 45.100 -2.351 0.000 0.641 389 G HN 0.324 nan 8.290 nan 0.000 0.527 390 K N 1.276 121.188 120.400 -0.814 0.000 2.298 390 K HA 0.448 4.768 4.320 -0.000 0.000 0.280 390 K C 1.029 177.246 176.600 -0.639 0.000 1.032 390 K CA 0.235 56.172 56.287 -0.583 0.000 0.958 390 K CB 1.151 33.401 32.500 -0.417 0.000 0.978 390 K HN 0.352 nan 8.250 nan 0.000 0.472 391 G N 2.711 111.024 108.800 -0.811 0.000 2.340 391 G HA2 0.061 4.021 3.960 -0.000 0.000 0.245 391 G HA3 0.061 4.021 3.960 -0.000 0.000 0.245 391 G C 0.762 175.343 174.900 -0.531 0.000 1.294 391 G CA -0.203 44.116 45.100 -1.301 0.000 0.896 391 G HN 0.588 nan 8.290 nan 0.000 0.522 392 M N 1.544 120.937 119.600 -0.346 0.000 2.398 392 M HA 0.235 4.715 4.480 -0.000 0.000 0.261 392 M C 0.218 176.637 176.300 0.198 0.000 1.125 392 M CA 0.949 56.202 55.300 -0.077 0.000 1.183 392 M CB 0.226 32.739 32.600 -0.145 0.000 1.322 392 M HN 0.743 nan 8.290 nan 0.000 0.467 393 Y N -3.244 117.205 120.300 0.249 0.000 2.677 393 Y HA 0.688 5.238 4.550 -0.000 0.000 0.334 393 Y C -1.161 174.882 175.900 0.237 0.000 1.196 393 Y CA -2.056 56.170 58.100 0.210 0.000 1.059 393 Y CB 0.947 39.457 38.460 0.083 0.000 1.315 393 Y HN -0.135 nan 8.280 nan 0.000 0.455 394 S N 0.016 115.918 115.700 0.337 0.000 2.571 394 S HA 0.384 4.854 4.470 -0.000 0.000 0.284 394 S C 0.414 175.127 174.600 0.188 0.000 1.128 394 S CA 0.009 58.339 58.200 0.216 0.000 0.970 394 S CB 1.216 64.393 63.200 -0.039 0.000 1.039 394 S HN 1.279 nan 8.310 nan 0.000 0.485 395 T N 1.463 116.129 114.554 0.187 0.000 3.055 395 T HA 0.235 4.585 4.350 -0.000 0.000 0.265 395 T C 1.624 176.327 174.700 0.005 0.000 1.111 395 T CA 1.124 63.265 62.100 0.068 0.000 1.118 395 T CB -0.640 68.257 68.868 0.048 0.000 0.909 395 T HN 1.898 nan 8.240 nan 0.000 0.501 396 G N 1.191 109.992 108.800 0.001 0.000 2.184 396 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.264 396 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.264 396 G C 0.671 175.533 174.900 -0.063 0.000 0.975 396 G CA 0.466 45.545 45.100 -0.035 0.000 0.642 396 G HN 0.579 nan 8.290 nan 0.000 0.536 397 L N 0.575 121.734 121.223 -0.106 0.000 2.554 397 L HA 0.416 4.756 4.340 -0.000 0.000 0.226 397 L C 1.901 178.684 176.870 -0.145 0.000 1.137 397 L CA 0.772 55.453 54.840 -0.264 0.000 0.863 397 L CB -0.470 41.189 42.059 -0.666 0.000 0.985 397 L HN 1.103 nan 8.230 nan 0.000 0.451 398 G N -0.422 108.378 108.800 -0.000 0.000 2.741 398 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.222 398 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.222 398 G C -0.363 174.613 174.900 0.126 0.000 1.364 398 G CA -0.138 45.009 45.100 0.078 0.000 0.866 398 G HN 0.460 nan 8.290 nan 0.000 0.555 399 H N 0.441 119.512 119.070 0.002 0.000 2.897 399 H HA 0.513 5.069 4.556 -0.000 0.000 0.347 399 H C 0.877 176.133 175.328 -0.119 0.000 1.068 399 H CA 1.973 57.939 56.048 -0.138 0.000 1.426 399 H CB 0.577 30.241 29.762 -0.162 0.000 1.410 399 H HN 1.357 nan 8.280 nan 0.000 0.597 400 G N 2.662 110.823 108.800 -1.066 0.000 2.788 400 G HA2 0.246 4.206 3.960 -0.000 0.000 0.293 400 G HA3 0.246 4.206 3.960 -0.000 0.000 0.293 400 G C -0.697 173.663 174.900 -0.900 0.000 1.392 400 G CA -0.544 44.024 45.100 -0.885 0.000 0.810 400 G HN 0.603 nan 8.290 nan 0.000 0.508 401 D N -0.667 119.484 120.400 -0.415 0.000 2.449 401 D HA 0.485 5.125 4.640 -0.000 0.000 0.210 401 D C 0.831 177.076 176.300 -0.091 0.000 1.094 401 D CA 0.805 54.768 54.000 -0.062 0.000 0.846 401 D CB 1.234 42.127 40.800 0.155 0.000 1.003 401 D HN 0.619 nan 8.370 nan 0.000 0.504 402 A N 0.235 122.907 122.820 -0.246 0.000 2.539 402 A HA 0.768 5.088 4.320 -0.000 0.000 0.296 402 A C -1.914 175.437 177.584 -0.388 0.000 1.073 402 A CA -0.550 51.336 52.037 -0.251 0.000 0.700 402 A CB 1.650 20.576 19.000 -0.124 0.000 1.296 402 A HN 0.039 nan 8.150 nan 0.000 0.405 403 L N 1.024 121.952 121.223 -0.491 0.000 2.565 403 L HA 0.671 5.010 4.340 -0.000 0.000 0.261 403 L C -1.855 174.598 176.870 -0.695 0.000 0.932 403 L CA 0.020 54.558 54.840 -0.503 0.000 0.878 403 L CB 1.998 43.761 42.059 -0.492 0.000 1.333 403 L HN 0.852 nan 8.230 nan 0.000 0.409 404 H N 1.980 120.943 119.070 -0.178 0.000 2.924 404 H HA 0.686 5.242 4.556 -0.000 0.000 0.333 404 H C -1.096 174.068 175.328 -0.274 0.000 0.979 404 H CA -0.489 55.458 56.048 -0.168 0.000 1.326 404 H CB 1.986 31.693 29.762 -0.091 0.000 1.600 404 H HN 0.501 nan 8.280 nan 0.000 0.520 405 T N 2.668 117.109 114.554 -0.187 0.000 2.791 405 T HA 0.683 5.033 4.350 -0.000 0.000 0.288 405 T C 0.301 174.908 174.700 -0.155 0.000 0.999 405 T CA -0.551 61.461 62.100 -0.146 0.000 0.952 405 T CB 1.294 70.130 68.868 -0.054 0.000 0.938 405 T HN 0.841 nan 8.240 nan 0.000 0.444 406 G N 1.414 110.125 108.800 -0.149 0.000 2.490 406 G HA2 0.426 4.386 3.960 -0.000 0.000 0.308 406 G HA3 0.426 4.386 3.960 -0.000 0.000 0.308 406 G C -1.820 173.093 174.900 0.022 0.000 1.286 406 G CA -0.678 44.399 45.100 -0.039 0.000 0.825 406 G HN 0.443 nan 8.290 nan 0.000 0.479 407 D N 0.921 121.392 120.400 0.118 0.000 2.483 407 D HA 0.332 4.972 4.640 -0.000 0.000 0.220 407 D C 1.577 178.014 176.300 0.228 0.000 1.173 407 D CA -0.276 53.825 54.000 0.168 0.000 0.964 407 D CB 0.315 41.257 40.800 0.237 0.000 1.046 407 D HN 0.267 nan 8.370 nan 0.000 0.517 408 L N 1.184 122.497 121.223 0.151 0.000 2.162 408 L HA 0.132 4.472 4.340 -0.000 0.000 0.205 408 L C 0.888 177.907 176.870 0.250 0.000 1.086 408 L CA 0.478 55.455 54.840 0.227 0.000 0.778 408 L CB 0.078 42.246 42.059 0.182 0.000 0.928 408 L HN 0.204 nan 8.230 nan 0.000 0.446 409 D N 0.795 121.330 120.400 0.225 0.000 2.462 409 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 409 D C -1.831 174.476 176.300 0.011 0.000 1.117 409 D CA -2.313 51.767 54.000 0.133 0.000 0.900 409 D CB 1.489 42.441 40.800 0.253 0.000 1.039 409 D HN -0.088 nan 8.370 nan 0.000 0.516 410 P HA 0.052 nan 4.420 nan 0.000 0.237 410 P C 1.135 178.393 177.300 -0.070 0.000 1.178 410 P CA 0.311 63.320 63.100 -0.153 0.000 0.766 410 P CB 0.359 31.781 31.700 -0.463 0.000 0.876 411 G N -0.568 108.197 108.800 -0.057 0.000 2.880 411 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.209 411 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.209 411 G C 0.795 175.705 174.900 0.017 0.000 1.157 411 G CA -0.182 44.907 45.100 -0.017 0.000 0.779 411 G HN 0.199 nan 8.290 nan 0.000 0.539 412 R N 0.859 121.382 120.500 0.038 0.000 2.360 412 R HA 0.373 4.713 4.340 -0.000 0.000 0.318 412 R C -2.829 173.505 176.300 0.056 0.000 0.950 412 R CA -1.855 54.280 56.100 0.057 0.000 0.837 412 R CB 1.680 32.036 30.300 0.092 0.000 1.165 412 R HN -0.069 nan 8.270 nan 0.000 0.458 413 P HA 0.110 nan 4.420 nan 0.000 0.265 413 P C -0.234 177.097 177.300 0.053 0.000 1.193 413 P CA 0.719 63.849 63.100 0.050 0.000 0.765 413 P CB 0.831 32.557 31.700 0.042 0.000 0.823 414 G N 1.209 110.044 108.800 0.059 0.000 2.631 414 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.504 414 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.504 414 G C -1.232 173.702 174.900 0.057 0.000 1.306 414 G CA -0.956 44.178 45.100 0.056 0.000 0.897 414 G HN 0.508 nan 8.290 nan 0.000 0.520 415 L N -0.047 121.203 121.223 0.044 0.000 2.387 415 L HA 0.808 5.148 4.340 -0.000 0.000 0.266 415 L C 0.385 177.237 176.870 -0.031 0.000 1.059 415 L CA -0.789 54.066 54.840 0.024 0.000 0.801 415 L CB 1.569 43.646 42.059 0.030 0.000 1.223 415 L HN 0.688 nan 8.230 nan 0.000 0.456 416 E N -0.051 120.088 120.200 -0.102 0.000 2.369 416 E HA 0.598 4.948 4.350 -0.000 0.000 0.270 416 E C -1.469 174.931 176.600 -0.334 0.000 0.909 416 E CA -0.556 55.679 56.400 -0.274 0.000 0.775 416 E CB 2.705 32.146 29.700 -0.431 0.000 1.270 416 E HN 0.129 nan 8.360 nan 0.000 0.445 417 V N 2.295 121.956 119.914 -0.421 0.000 2.483 417 V HA 0.416 4.536 4.120 -0.000 0.000 0.297 417 V C -1.251 174.610 176.094 -0.390 0.000 1.027 417 V CA -0.819 61.291 62.300 -0.315 0.000 0.855 417 V CB 0.989 32.701 31.823 -0.186 0.000 0.995 417 V HN 0.587 nan 8.190 nan 0.000 0.424 418 F N 4.609 124.304 119.950 -0.426 0.000 2.420 418 F HA 0.698 5.225 4.527 -0.000 0.000 0.342 418 F C -0.110 175.560 175.800 -0.217 0.000 1.113 418 F CA -0.025 57.781 58.000 -0.323 0.000 1.059 418 F CB 1.334 40.229 39.000 -0.176 0.000 1.128 418 F HN 0.573 nan 8.300 nan 0.000 0.475 419 Q N 5.306 124.520 119.800 -0.976 0.000 2.379 419 Q HA 0.669 5.009 4.340 -0.000 0.000 0.278 419 Q C -1.786 173.567 176.000 -1.078 0.000 1.068 419 Q CA -0.984 54.301 55.803 -0.863 0.000 0.816 419 Q CB 2.651 31.033 28.738 -0.592 0.000 1.387 419 Q HN 0.680 nan 8.270 nan 0.000 0.413 420 V N -0.703 118.663 119.914 -0.914 0.000 2.994 420 V HA 0.713 4.833 4.120 -0.000 0.000 0.318 420 V C -0.955 174.606 176.094 -0.888 0.000 1.085 420 V CA -0.511 61.351 62.300 -0.731 0.000 0.998 420 V CB 1.985 33.569 31.823 -0.398 0.000 1.063 420 V HN 0.820 nan 8.190 nan 0.000 0.447 421 H N 0.888 119.847 119.070 -0.185 0.000 2.717 421 H HA 0.453 5.008 4.556 -0.000 0.000 0.366 421 H C 0.082 175.362 175.328 -0.080 0.000 1.132 421 H CA -0.208 55.752 56.048 -0.145 0.000 1.180 421 H CB 2.810 32.516 29.762 -0.092 0.000 1.678 421 H HN 0.962 nan 8.280 nan 0.000 0.537 422 E N 1.020 121.258 120.200 0.063 0.000 2.250 422 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 422 E C -0.131 176.541 176.600 0.120 0.000 0.986 422 E CA 0.027 56.492 56.400 0.107 0.000 0.849 422 E CB 0.471 30.307 29.700 0.227 0.000 0.797 422 E HN 0.416 nan 8.360 nan 0.000 0.482 423 D N 1.145 121.617 120.400 0.120 0.000 2.346 423 D HA -0.057 4.583 4.640 -0.000 0.000 0.260 423 D C 0.817 177.151 176.300 0.056 0.000 1.252 423 D CA 0.093 54.147 54.000 0.090 0.000 0.895 423 D CB 1.010 41.856 40.800 0.078 0.000 1.097 423 D HN 0.203 nan 8.370 nan 0.000 0.489 424 K N 2.520 122.947 120.400 0.047 0.000 2.360 424 K HA -0.138 4.182 4.320 -0.000 0.000 0.201 424 K C 0.567 177.189 176.600 0.036 0.000 1.046 424 K CA 1.114 57.414 56.287 0.021 0.000 0.945 424 K CB -0.127 32.389 32.500 0.027 0.000 0.750 424 K HN 0.282 nan 8.250 nan 0.000 0.464 425 N N 0.712 119.444 118.700 0.053 0.000 2.336 425 N HA 0.119 4.859 4.740 -0.000 0.000 0.189 425 N C -0.268 175.279 175.510 0.061 0.000 1.113 425 N CA -0.125 52.968 53.050 0.072 0.000 0.858 425 N CB 0.575 39.091 38.487 0.048 0.000 0.970 425 N HN 0.275 nan 8.380 nan 0.000 0.471 426 A N 1.194 124.035 122.820 0.036 0.000 2.445 426 A HA 0.023 4.342 4.320 -0.000 0.000 0.242 426 A C 1.407 178.999 177.584 0.013 0.000 1.075 426 A CA -0.127 51.902 52.037 -0.013 0.000 0.777 426 A CB 0.392 19.362 19.000 -0.049 0.000 1.013 426 A HN 0.242 nan 8.150 nan 0.000 0.493 427 K N 0.305 120.637 120.400 -0.112 0.000 2.074 427 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 427 K C -0.702 175.745 176.600 -0.255 0.000 1.048 427 K CA 1.515 57.641 56.287 -0.268 0.000 0.926 427 K CB -0.214 31.958 32.500 -0.548 0.000 0.713 427 K HN 0.674 nan 8.250 nan 0.000 0.444 428 Y N -1.775 118.551 120.300 0.044 0.000 2.442 428 Y HA 0.372 4.922 4.550 -0.000 0.000 0.344 428 Y C 0.897 176.808 175.900 0.017 0.000 0.976 428 Y CA -1.083 57.046 58.100 0.049 0.000 1.040 428 Y CB 2.087 40.549 38.460 0.003 0.000 1.228 428 Y HN -0.036 nan 8.280 nan 0.000 0.451 429 G N 2.019 110.944 108.800 0.208 0.000 2.603 429 G HA2 0.211 4.171 3.960 -0.000 0.000 0.214 429 G HA3 0.211 4.171 3.960 -0.000 0.000 0.214 429 G C -0.106 174.890 174.900 0.161 0.000 1.140 429 G CA 0.051 45.238 45.100 0.146 0.000 0.800 429 G HN 0.437 nan 8.290 nan 0.000 0.533 430 L N 0.063 121.375 121.223 0.147 0.000 2.408 430 L HA 0.776 5.115 4.340 -0.000 0.000 0.268 430 L C -0.760 176.055 176.870 -0.092 0.000 0.986 430 L CA -1.041 53.780 54.840 -0.031 0.000 0.820 430 L CB 2.409 44.495 42.059 0.045 0.000 1.303 430 L HN -0.042 nan 8.230 nan 0.000 0.411 431 S N 1.337 116.909 115.700 -0.213 0.000 2.526 431 S HA 0.775 5.244 4.470 -0.000 0.000 0.293 431 S C -1.164 173.234 174.600 -0.337 0.000 1.092 431 S CA -0.573 57.471 58.200 -0.260 0.000 0.980 431 S CB 2.075 65.272 63.200 -0.005 0.000 1.048 431 S HN 0.607 nan 8.310 nan 0.000 0.483 432 F N 3.358 122.890 119.950 -0.696 0.000 2.499 432 F HA 0.650 5.177 4.527 -0.000 0.000 0.333 432 F C -0.192 175.339 175.800 -0.448 0.000 1.138 432 F CA -0.623 56.985 58.000 -0.653 0.000 0.945 432 F CB 1.278 39.416 39.000 -1.437 0.000 1.181 432 F HN 0.950 nan 8.300 nan 0.000 0.435 433 R N 3.767 124.051 120.500 -0.360 0.000 2.837 433 R HA 0.387 4.727 4.340 -0.000 0.000 0.271 433 R C -1.452 174.724 176.300 -0.208 0.000 0.993 433 R CA -1.011 54.963 56.100 -0.209 0.000 0.931 433 R CB 1.490 31.673 30.300 -0.194 0.000 1.206 433 R HN 0.470 nan 8.270 nan 0.000 0.474 434 D N 1.131 121.451 120.400 -0.132 0.000 2.401 434 D HA 0.050 4.689 4.640 -0.000 0.000 0.254 434 D C 0.823 177.050 176.300 -0.122 0.000 1.192 434 D CA 0.426 54.364 54.000 -0.103 0.000 0.885 434 D CB 1.663 42.412 40.800 -0.084 0.000 1.147 434 D HN 0.632 nan 8.370 nan 0.000 0.478 435 A N 4.092 126.879 122.820 -0.056 0.000 1.969 435 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 435 A C 2.000 179.675 177.584 0.152 0.000 1.169 435 A CA 1.722 53.778 52.037 0.032 0.000 0.635 435 A CB -0.207 18.803 19.000 0.018 0.000 0.810 435 A HN 0.648 nan 8.150 nan 0.000 0.445 436 A N -0.804 122.071 122.820 0.090 0.000 1.903 436 A HA 0.065 4.385 4.320 -0.000 0.000 0.213 436 A C 2.328 180.004 177.584 0.154 0.000 1.185 436 A CA 2.054 54.180 52.037 0.147 0.000 0.628 436 A CB -0.762 18.288 19.000 0.083 0.000 0.830 436 A HN 0.700 nan 8.150 nan 0.000 0.446 437 T N -5.375 109.144 114.554 -0.059 0.000 3.037 437 T HA 0.404 4.754 4.350 -0.000 0.000 0.252 437 T C 1.490 175.803 174.700 -0.645 0.000 1.073 437 T CA 1.200 63.201 62.100 -0.165 0.000 1.091 437 T CB 0.293 69.099 68.868 -0.103 0.000 0.935 437 T HN 1.664 nan 8.240 nan 0.000 0.488 438 G N 1.754 109.936 108.800 -1.031 0.000 2.179 438 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 438 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 438 G C 0.027 174.616 174.900 -0.519 0.000 0.977 438 G CA 0.296 44.584 45.100 -1.355 0.000 0.641 438 G HN 0.859 nan 8.290 nan 0.000 0.533 439 K N 1.161 121.372 120.400 -0.315 0.000 2.472 439 K HA 0.245 4.565 4.320 -0.000 0.000 0.280 439 K C 0.775 177.307 176.600 -0.113 0.000 1.028 439 K CA -0.518 55.678 56.287 -0.153 0.000 1.045 439 K CB 0.020 32.467 32.500 -0.087 0.000 0.902 439 K HN 0.112 nan 8.250 nan 0.000 0.478 440 I N 7.371 127.901 120.570 -0.066 0.000 2.505 440 I HA -0.078 4.091 4.170 -0.000 0.000 0.287 440 I C 1.330 177.443 176.117 -0.007 0.000 1.104 440 I CA 0.357 61.626 61.300 -0.052 0.000 1.387 440 I CB 0.290 38.289 38.000 -0.001 0.000 1.404 440 I HN 0.772 nan 8.210 nan 0.000 0.528 441 L N 6.674 127.904 121.223 0.013 0.000 2.127 441 L HA 0.070 4.410 4.340 -0.000 0.000 0.203 441 L C 0.468 177.460 176.870 0.202 0.000 1.080 441 L CA 0.887 55.806 54.840 0.131 0.000 0.768 441 L CB -0.051 42.168 42.059 0.267 0.000 0.924 441 L HN 0.675 nan 8.230 nan 0.000 0.444 442 W N -1.357 119.922 121.300 -0.035 0.000 3.146 442 W HA 0.647 5.307 4.660 -0.000 0.000 0.319 442 W C -0.800 175.517 176.519 -0.337 0.000 1.258 442 W CA -0.960 56.278 57.345 -0.178 0.000 1.189 442 W CB 0.589 29.935 29.460 -0.190 0.000 1.412 442 W HN -0.142 nan 8.180 nan 0.000 0.567 443 G N 0.090 108.654 108.800 -0.394 0.000 2.684 443 G HA2 0.659 4.619 3.960 -0.000 0.000 0.290 443 G HA3 0.659 4.619 3.960 -0.000 0.000 0.290 443 G C -2.420 172.271 174.900 -0.347 0.000 1.425 443 G CA -0.823 43.749 45.100 -0.881 0.000 0.822 443 G HN 0.562 nan 8.290 nan 0.000 0.482 444 V N 0.748 120.651 119.914 -0.019 0.000 2.577 444 V HA 0.345 4.465 4.120 -0.000 0.000 0.303 444 V C -0.804 175.545 176.094 0.426 0.000 1.042 444 V CA -0.914 61.545 62.300 0.266 0.000 0.872 444 V CB 1.422 33.361 31.823 0.194 0.000 0.998 444 V HN 0.797 nan 8.190 nan 0.000 0.423 445 Y N 4.039 124.553 120.300 0.355 0.000 2.511 445 Y HA 0.423 4.973 4.550 -0.000 0.000 0.332 445 Y C 0.859 176.865 175.900 0.177 0.000 1.177 445 Y CA 0.803 59.041 58.100 0.230 0.000 1.422 445 Y CB 1.395 39.942 38.460 0.144 0.000 1.271 445 Y HN 0.724 nan 8.280 nan 0.000 0.550 446 A N 3.492 125.960 122.820 -0.587 0.000 2.026 446 A HA 0.376 4.696 4.320 -0.000 0.000 0.198 446 A C 1.621 178.763 177.584 -0.737 0.000 1.390 446 A CA 0.435 52.199 52.037 -0.455 0.000 0.915 446 A CB -0.756 18.151 19.000 -0.154 0.000 0.974 446 A HN 1.734 nan 8.150 nan 0.000 0.477 447 G N 0.272 108.432 108.800 -1.066 0.000 2.179 447 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 447 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 447 G C 0.060 174.859 174.900 -0.168 0.000 1.010 447 G CA 1.214 46.000 45.100 -0.524 0.000 0.736 447 G HN 1.255 nan 8.290 nan 0.000 0.513 448 K N -1.259 119.054 120.400 -0.146 0.000 2.579 448 K HA 0.520 4.840 4.320 -0.000 0.000 0.284 448 K C -1.509 175.081 176.600 -0.018 0.000 0.990 448 K CA -0.978 55.282 56.287 -0.045 0.000 0.880 448 K CB 0.902 33.387 32.500 -0.025 0.000 1.488 448 K HN -0.072 nan 8.250 nan 0.000 0.425 449 D N 1.557 121.968 120.400 0.018 0.000 2.451 449 D HA 0.084 4.724 4.640 -0.000 0.000 0.254 449 D C -0.808 175.508 176.300 0.027 0.000 1.204 449 D CA 0.034 54.057 54.000 0.039 0.000 0.896 449 D CB 0.710 41.547 40.800 0.062 0.000 1.136 449 D HN 0.358 nan 8.370 nan 0.000 0.499 450 V N 4.973 124.897 119.914 0.017 0.000 2.294 450 V HA 0.374 4.493 4.120 -0.000 0.000 0.272 450 V C 1.488 177.573 176.094 -0.014 0.000 1.027 450 V CA -0.257 62.047 62.300 0.008 0.000 0.823 450 V CB 1.147 32.973 31.823 0.005 0.000 1.030 450 V HN 0.729 nan 8.190 nan 0.000 0.457 451 G N 4.809 113.615 108.800 0.010 0.000 2.777 451 G HA2 0.078 4.038 3.960 -0.000 0.000 0.211 451 G HA3 0.078 4.038 3.960 -0.000 0.000 0.211 451 G C 0.694 175.589 174.900 -0.009 0.000 1.149 451 G CA -0.000 45.106 45.100 0.011 0.000 0.785 451 G HN 0.440 nan 8.290 nan 0.000 0.536 452 R N -0.713 119.783 120.500 -0.005 0.000 2.725 452 R HA 0.660 5.000 4.340 -0.000 0.000 0.277 452 R C -0.803 175.494 176.300 -0.006 0.000 0.987 452 R CA -0.457 55.642 56.100 -0.001 0.000 0.901 452 R CB 1.754 32.073 30.300 0.031 0.000 1.207 452 R HN 0.129 nan 8.270 nan 0.000 0.463 453 G N 1.455 110.247 108.800 -0.013 0.000 2.759 453 G HA2 0.594 4.554 3.960 -0.000 0.000 0.297 453 G HA3 0.594 4.554 3.960 -0.000 0.000 0.297 453 G C -1.172 173.707 174.900 -0.036 0.000 1.434 453 G CA -0.400 44.723 45.100 0.039 0.000 0.980 453 G HN 0.173 nan 8.290 nan 0.000 0.531 454 M N 0.507 119.811 119.600 -0.492 0.000 2.644 454 M HA 0.811 5.291 4.480 -0.000 0.000 0.304 454 M C -0.597 175.032 176.300 -1.120 0.000 1.215 454 M CA -0.911 53.738 55.300 -1.084 0.000 0.871 454 M CB 2.197 33.677 32.600 -1.865 0.000 1.740 454 M HN 0.904 nan 8.290 nan 0.000 0.464 455 A N 1.828 123.988 122.820 -1.099 0.000 2.381 455 A HA 0.949 5.269 4.320 -0.000 0.000 0.299 455 A C -1.334 176.135 177.584 -0.192 0.000 1.049 455 A CA -0.339 51.384 52.037 -0.523 0.000 0.715 455 A CB 1.310 20.106 19.000 -0.339 0.000 1.222 455 A HN 1.057 nan 8.150 nan 0.000 0.428 456 A N 1.785 124.627 122.820 0.036 0.000 2.582 456 A HA 0.583 4.903 4.320 -0.000 0.000 0.297 456 A C -1.577 176.157 177.584 0.249 0.000 1.059 456 A CA -0.547 51.584 52.037 0.157 0.000 0.705 456 A CB 0.993 20.083 19.000 0.149 0.000 1.279 456 A HN 0.777 nan 8.150 nan 0.000 0.404 457 D N 2.087 122.654 120.400 0.278 0.000 2.383 457 D HA 0.284 4.924 4.640 -0.000 0.000 0.245 457 D C 1.021 177.470 176.300 0.248 0.000 1.263 457 D CA 0.338 54.518 54.000 0.300 0.000 0.936 457 D CB 0.095 41.117 40.800 0.370 0.000 1.053 457 D HN 0.559 nan 8.370 nan 0.000 0.507 458 I N -0.203 120.494 120.570 0.211 0.000 4.139 458 I HA 0.381 4.550 4.170 -0.000 0.000 0.335 458 I C -0.048 176.233 176.117 0.274 0.000 1.327 458 I CA -0.281 61.156 61.300 0.228 0.000 1.112 458 I CB 0.688 38.729 38.000 0.069 0.000 1.058 458 I HN 0.013 nan 8.210 nan 0.000 0.396 459 D N 2.959 123.449 120.400 0.150 0.000 2.476 459 D HA 0.300 4.940 4.640 -0.000 0.000 0.251 459 D C -2.135 174.118 176.300 -0.078 0.000 1.291 459 D CA -1.886 52.117 54.000 0.005 0.000 0.939 459 D CB 2.504 43.462 40.800 0.264 0.000 1.221 459 D HN -0.060 nan 8.370 nan 0.000 0.567 460 P HA 0.014 nan 4.420 nan 0.000 0.237 460 P C 0.878 178.112 177.300 -0.111 0.000 1.178 460 P CA 0.236 63.240 63.100 -0.161 0.000 0.766 460 P CB 0.505 32.077 31.700 -0.214 0.000 0.876 461 R N -1.349 119.064 120.500 -0.145 0.000 2.236 461 R HA 0.023 4.363 4.340 -0.000 0.000 0.208 461 R C 0.216 176.295 176.300 -0.367 0.000 1.036 461 R CA 0.705 56.678 56.100 -0.212 0.000 1.001 461 R CB -0.325 29.840 30.300 -0.226 0.000 0.896 461 R HN 0.294 nan 8.270 nan 0.000 0.464 462 Y N 0.695 120.982 120.300 -0.021 0.000 2.328 462 Y HA 0.325 4.875 4.550 -0.000 0.000 0.333 462 Y C -2.206 173.687 175.900 -0.012 0.000 0.958 462 Y CA -3.395 54.694 58.100 -0.017 0.000 1.167 462 Y CB 1.264 39.715 38.460 -0.015 0.000 1.151 462 Y HN -0.170 nan 8.280 nan 0.000 0.470 463 P HA 0.196 nan 4.420 nan 0.000 0.266 463 P C 0.483 177.763 177.300 -0.034 0.000 1.195 463 P CA 0.882 63.982 63.100 -0.001 0.000 0.768 463 P CB 0.739 32.408 31.700 -0.052 0.000 0.838 464 G N 2.100 110.806 108.800 -0.155 0.000 2.660 464 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.247 464 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.247 464 G C -1.181 173.858 174.900 0.233 0.000 1.328 464 G CA -0.846 44.129 45.100 -0.207 0.000 0.884 464 G HN 0.536 nan 8.290 nan 0.000 0.531 465 Q N 0.581 120.560 119.800 0.299 0.000 2.279 465 Q HA 0.467 4.807 4.340 -0.000 0.000 0.256 465 Q C -0.085 176.035 176.000 0.199 0.000 0.937 465 Q CA -0.419 55.571 55.803 0.312 0.000 0.933 465 Q CB 1.148 30.074 28.738 0.314 0.000 1.189 465 Q HN 0.506 nan 8.270 nan 0.000 0.417 466 E N 0.944 121.247 120.200 0.173 0.000 2.392 466 E HA 0.264 4.614 4.350 -0.000 0.000 0.259 466 E C -0.504 176.156 176.600 0.100 0.000 1.108 466 E CA -0.280 56.188 56.400 0.112 0.000 0.916 466 E CB 0.925 30.676 29.700 0.084 0.000 0.989 466 E HN 0.415 nan 8.360 nan 0.000 0.432 467 V N -1.273 118.662 119.914 0.036 0.000 2.962 467 V HA 0.897 5.017 4.120 -0.000 0.000 0.313 467 V C -1.564 174.596 176.094 0.110 0.000 1.099 467 V CA -1.082 61.055 62.300 -0.272 0.000 0.971 467 V CB 1.314 32.473 31.823 -1.106 0.000 1.028 467 V HN 0.826 nan 8.190 nan 0.000 0.430 468 W N 2.087 123.302 121.300 -0.142 0.000 3.217 468 W HA 1.006 5.666 4.660 0.000 0.000 0.323 468 W C -0.862 175.808 176.519 0.253 0.000 1.216 468 W CA -0.505 56.884 57.345 0.075 0.000 1.194 468 W CB 1.281 30.689 29.460 -0.088 0.000 1.397 468 W HN 1.277 nan 8.180 nan 0.000 0.537 469 A N 2.755 125.871 122.820 0.493 0.000 2.590 469 A HA 0.543 4.862 4.320 -0.000 0.000 0.294 469 A C -0.120 177.658 177.584 0.323 0.000 1.046 469 A CA -0.452 51.797 52.037 0.355 0.000 0.684 469 A CB 1.105 20.314 19.000 0.348 0.000 1.279 469 A HN 1.463 nan 8.150 nan 0.000 0.415 470 N N -0.383 118.446 118.700 0.216 0.000 2.708 470 N HA -0.098 4.642 4.740 -0.000 0.000 0.249 470 N C 1.092 176.701 175.510 0.164 0.000 1.097 470 N CA 3.056 56.207 53.050 0.168 0.000 0.710 470 N CB -0.972 37.608 38.487 0.156 0.000 1.032 470 N HN 2.639 nan 8.380 nan 0.000 0.551 471 G N -3.038 105.861 108.800 0.165 0.000 2.159 471 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.256 471 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.256 471 G C -0.048 174.891 174.900 0.065 0.000 0.977 471 G CA 0.476 45.641 45.100 0.109 0.000 0.652 471 G HN 0.758 nan 8.290 nan 0.000 0.531 472 S N -0.714 115.037 115.700 0.086 0.000 2.542 472 S HA 0.747 5.217 4.470 -0.000 0.000 0.293 472 S C -0.649 173.842 174.600 -0.181 0.000 1.089 472 S CA -0.647 57.480 58.200 -0.122 0.000 0.961 472 S CB 2.334 65.389 63.200 -0.241 0.000 1.062 472 S HN 0.931 nan 8.310 nan 0.000 0.483 473 L N 3.171 124.163 121.223 -0.385 0.000 2.309 473 L HA 0.676 5.016 4.340 -0.000 0.000 0.282 473 L C -1.850 174.681 176.870 -0.565 0.000 1.036 473 L CA -0.138 54.517 54.840 -0.308 0.000 0.806 473 L CB 0.406 42.259 42.059 -0.343 0.000 1.220 473 L HN 0.665 nan 8.230 nan 0.000 0.429 474 Y N 1.831 122.064 120.300 -0.112 0.000 2.545 474 Y HA 0.571 5.121 4.550 -0.000 0.000 0.348 474 Y C 0.501 176.212 175.900 -0.314 0.000 1.002 474 Y CA -0.635 57.307 58.100 -0.262 0.000 1.039 474 Y CB 1.959 40.245 38.460 -0.289 0.000 1.271 474 Y HN 0.722 nan 8.280 nan 0.000 0.467 475 S N 0.578 116.096 115.700 -0.303 0.000 2.608 475 S HA 0.367 4.837 4.470 -0.000 0.000 0.261 475 S C 1.273 175.734 174.600 -0.232 0.000 1.314 475 S CA -0.169 57.862 58.200 -0.281 0.000 0.992 475 S CB 1.100 64.121 63.200 -0.298 0.000 0.935 475 S HN 0.922 nan 8.310 nan 0.000 0.564 476 A N 0.703 123.440 122.820 -0.139 0.000 2.125 476 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 476 A C 1.842 179.179 177.584 -0.412 0.000 1.156 476 A CA 0.945 52.858 52.037 -0.208 0.000 0.671 476 A CB -0.492 18.522 19.000 0.024 0.000 0.794 476 A HN 0.701 nan 8.150 nan 0.000 0.459 477 K N -1.344 118.825 120.400 -0.386 0.000 2.404 477 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 477 K C 1.095 177.062 176.600 -1.054 0.000 1.023 477 K CA 0.710 56.721 56.287 -0.460 0.000 1.094 477 K CB -0.054 32.303 32.500 -0.239 0.000 0.841 477 K HN 0.771 nan 8.250 nan 0.000 0.523 478 G N 1.162 109.001 108.800 -1.602 0.000 2.141 478 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 478 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 478 G C 0.026 174.397 174.900 -0.882 0.000 0.982 478 G CA 0.049 43.744 45.100 -2.343 0.000 0.662 478 G HN 0.108 nan 8.290 nan 0.000 0.527 479 V N 1.353 120.960 119.914 -0.511 0.000 2.432 479 V HA 0.335 4.455 4.120 -0.000 0.000 0.271 479 V C 1.060 177.027 176.094 -0.213 0.000 1.046 479 V CA -0.290 61.859 62.300 -0.253 0.000 0.945 479 V CB 1.536 33.255 31.823 -0.172 0.000 0.992 479 V HN 0.423 nan 8.190 nan 0.000 0.471 480 K N 5.458 125.766 120.400 -0.154 0.000 2.416 480 K HA 0.287 4.607 4.320 -0.000 0.000 0.283 480 K C -0.641 175.788 176.600 -0.285 0.000 1.037 480 K CA -0.156 55.922 56.287 -0.347 0.000 0.995 480 K CB 0.289 32.620 32.500 -0.282 0.000 0.938 480 K HN 0.600 nan 8.250 nan 0.000 0.475 481 I N 5.240 125.601 120.570 -0.348 0.000 2.312 481 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 481 I C 0.947 177.002 176.117 -0.104 0.000 1.008 481 I CA -0.038 61.119 61.300 -0.238 0.000 1.226 481 I CB 1.048 38.840 38.000 -0.348 0.000 1.371 481 I HN 1.063 nan 8.210 nan 0.000 0.468 482 G N 5.236 114.021 108.800 -0.025 0.000 2.574 482 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.282 482 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.282 482 G C 0.524 175.409 174.900 -0.026 0.000 1.257 482 G CA 0.398 45.502 45.100 0.006 0.000 0.956 482 G HN 0.824 nan 8.290 nan 0.000 0.560 483 S N -1.287 114.413 115.700 -0.000 0.000 2.649 483 S HA 0.581 5.051 4.470 -0.000 0.000 0.246 483 S C 1.082 175.684 174.600 0.003 0.000 1.057 483 S CA 1.013 59.207 58.200 -0.010 0.000 1.051 483 S CB 0.709 63.909 63.200 0.000 0.000 1.018 483 S HN 2.025 nan 8.310 nan 0.000 0.569 484 G N 1.391 110.219 108.800 0.047 0.000 2.613 484 G HA2 0.695 4.655 3.960 -0.000 0.000 0.303 484 G HA3 0.695 4.655 3.960 -0.000 0.000 0.303 484 G C -0.635 174.270 174.900 0.009 0.000 1.312 484 G CA -0.358 44.788 45.100 0.076 0.000 1.036 484 G HN 0.940 nan 8.290 nan 0.000 0.513 485 V N -3.320 116.564 119.914 -0.050 0.000 3.040 485 V HA 0.711 4.831 4.120 -0.000 0.000 0.312 485 V C -2.744 173.059 176.094 -0.486 0.000 1.115 485 V CA -2.553 59.515 62.300 -0.387 0.000 0.998 485 V CB 1.542 33.222 31.823 -0.238 0.000 1.042 485 V HN 0.549 nan 8.190 nan 0.000 0.433 486 P HA 0.094 nan 4.420 nan 0.000 0.267 486 P C 0.956 178.157 177.300 -0.165 0.000 1.201 486 P CA 0.586 63.273 63.100 -0.688 0.000 0.775 486 P CB 0.522 31.517 31.700 -1.174 0.000 0.854 487 S N -0.246 115.473 115.700 0.031 0.000 2.555 487 S HA 0.016 4.486 4.470 -0.000 0.000 0.230 487 S C 0.622 175.280 174.600 0.096 0.000 0.978 487 S CA 0.383 58.625 58.200 0.071 0.000 0.934 487 S CB -0.690 62.557 63.200 0.078 0.000 0.766 487 S HN 0.553 nan 8.310 nan 0.000 0.533 488 S N -0.312 115.475 115.700 0.145 0.000 2.570 488 S HA 0.687 5.157 4.470 -0.000 0.000 0.286 488 S C -0.724 174.109 174.600 0.389 0.000 1.099 488 S CA -0.698 57.623 58.200 0.202 0.000 0.913 488 S CB 1.941 65.237 63.200 0.160 0.000 1.085 488 S HN 0.065 nan 8.310 nan 0.000 0.480 489 T N 2.212 116.940 114.554 0.291 0.000 3.542 489 T HA 0.420 4.770 4.350 -0.000 0.000 0.276 489 T C -0.037 174.726 174.700 0.106 0.000 1.412 489 T CA -0.553 61.677 62.100 0.217 0.000 1.664 489 T CB -0.135 68.837 68.868 0.174 0.000 0.863 489 T HN 0.643 nan 8.240 nan 0.000 0.661 490 N N 0.699 119.490 118.700 0.152 0.000 3.379 490 N HA 0.398 5.138 4.740 -0.000 0.000 0.197 490 N C -1.042 174.701 175.510 0.388 0.000 1.350 490 N CA -0.111 53.073 53.050 0.222 0.000 1.140 490 N CB 0.428 39.011 38.487 0.160 0.000 1.164 490 N HN 0.194 nan 8.380 nan 0.000 0.627 491 F N 0.542 120.501 119.950 0.015 0.000 2.507 491 F HA 0.723 5.250 4.527 -0.000 0.000 0.327 491 F C 0.946 176.724 175.800 -0.036 0.000 1.068 491 F CA -0.987 57.001 58.000 -0.019 0.000 0.965 491 F CB 1.652 40.624 39.000 -0.047 0.000 1.192 491 F HN 0.194 nan 8.300 nan 0.000 0.476 492 G N 2.028 110.817 108.800 -0.018 0.000 2.416 492 G HA2 0.657 4.617 3.960 -0.000 0.000 0.329 492 G HA3 0.657 4.617 3.960 -0.000 0.000 0.329 492 G C -1.737 173.035 174.900 -0.212 0.000 1.173 492 G CA -0.582 44.452 45.100 -0.111 0.000 0.929 492 G HN 0.662 nan 8.290 nan 0.000 0.475 493 I N 0.614 121.075 120.570 -0.182 0.000 2.656 493 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 493 I C -1.039 175.025 176.117 -0.089 0.000 1.144 493 I CA -1.345 59.883 61.300 -0.120 0.000 1.038 493 I CB 1.781 39.811 38.000 0.049 0.000 1.244 493 I HN 0.451 nan 8.210 nan 0.000 0.420 494 W N 8.096 129.514 121.300 0.197 0.000 2.507 494 W HA 0.061 4.720 4.660 -0.000 0.000 0.334 494 W C 0.305 176.897 176.519 0.122 0.000 1.165 494 W CA -0.240 57.203 57.345 0.164 0.000 1.460 494 W CB 0.606 30.186 29.460 0.199 0.000 1.404 494 W HN 0.730 nan 8.180 nan 0.000 0.435 495 W N 3.086 124.441 121.300 0.091 0.000 3.298 495 W HA -0.097 4.563 4.660 -0.000 0.000 0.239 495 W C 0.436 176.925 176.519 -0.049 0.000 1.082 495 W CA 0.512 57.858 57.345 0.002 0.000 1.711 495 W CB 0.276 29.756 29.460 0.034 0.000 0.944 495 W HN 0.208 nan 8.180 nan 0.000 0.712 496 D N -0.531 119.911 120.400 0.070 0.000 2.469 496 D HA 0.238 4.878 4.640 -0.000 0.000 0.278 496 D C 1.422 177.683 176.300 -0.064 0.000 1.231 496 D CA 0.345 54.315 54.000 -0.050 0.000 1.075 496 D CB -0.374 40.491 40.800 0.108 0.000 1.121 496 D HN -0.006 nan 8.370 nan 0.000 0.571 497 G N -1.594 107.214 108.800 0.012 0.000 2.777 497 G HA2 0.058 4.018 3.960 -0.000 0.000 0.211 497 G HA3 0.058 4.018 3.960 -0.000 0.000 0.211 497 G C 0.150 175.236 174.900 0.310 0.000 1.149 497 G CA 0.507 45.663 45.100 0.093 0.000 0.785 497 G HN 0.723 nan 8.290 nan 0.000 0.536 498 D N -0.420 120.159 120.400 0.298 0.000 2.388 498 D HA 0.227 4.867 4.640 -0.000 0.000 0.254 498 D C 1.286 177.819 176.300 0.388 0.000 1.111 498 D CA -0.899 53.311 54.000 0.349 0.000 0.993 498 D CB 0.948 41.908 40.800 0.267 0.000 1.118 498 D HN -0.019 nan 8.370 nan 0.000 0.502 499 L N -0.602 120.747 121.223 0.210 0.000 2.552 499 L HA 0.112 4.452 4.340 -0.000 0.000 0.227 499 L C 0.759 177.779 176.870 0.249 0.000 1.146 499 L CA -0.006 54.886 54.840 0.086 0.000 0.858 499 L CB -0.472 41.448 42.059 -0.231 0.000 0.969 499 L HN 0.220 nan 8.230 nan 0.000 0.451 500 L N -0.013 121.385 121.223 0.293 0.000 2.473 500 L HA 0.108 4.448 4.340 -0.000 0.000 0.268 500 L C 0.679 177.816 176.870 0.444 0.000 1.215 500 L CA 0.070 55.105 54.840 0.326 0.000 0.823 500 L CB 0.206 42.428 42.059 0.272 0.000 1.099 500 L HN 0.113 nan 8.230 nan 0.000 0.483 501 R N 0.616 121.311 120.500 0.326 0.000 2.460 501 R HA 0.315 4.655 4.340 -0.000 0.000 0.303 501 R C -0.721 175.657 176.300 0.130 0.000 0.968 501 R CA -0.667 55.498 56.100 0.107 0.000 0.889 501 R CB 1.322 31.473 30.300 -0.248 0.000 1.123 501 R HN 0.524 nan 8.270 nan 0.000 0.455 502 E N 1.463 121.734 120.200 0.119 0.000 2.359 502 E HA 0.199 4.548 4.350 -0.000 0.000 0.255 502 E C -0.903 175.764 176.600 0.111 0.000 1.191 502 E CA -0.384 56.112 56.400 0.159 0.000 0.952 502 E CB 0.748 30.575 29.700 0.211 0.000 1.152 502 E HN 0.329 nan 8.360 nan 0.000 0.496 503 Q N 0.140 120.018 119.800 0.131 0.000 2.345 503 Q HA 0.641 4.981 4.340 -0.000 0.000 0.268 503 Q C -1.230 174.828 176.000 0.096 0.000 1.054 503 Q CA -0.515 55.375 55.803 0.145 0.000 0.835 503 Q CB 1.988 30.842 28.738 0.194 0.000 1.339 503 Q HN 0.428 nan 8.270 nan 0.000 0.447 504 L N 1.277 122.569 121.223 0.115 0.000 2.386 504 L HA 0.776 5.116 4.340 -0.000 0.000 0.271 504 L C -1.731 175.178 176.870 0.066 0.000 0.993 504 L CA -0.366 54.516 54.840 0.069 0.000 0.819 504 L CB 1.875 43.956 42.059 0.036 0.000 1.294 504 L HN 0.570 nan 8.230 nan 0.000 0.414 505 D N 2.391 122.813 120.400 0.037 0.000 2.803 505 D HA 0.450 5.090 4.640 -0.000 0.000 0.218 505 D C -0.232 176.066 176.300 -0.003 0.000 1.245 505 D CA 0.846 54.850 54.000 0.007 0.000 0.821 505 D CB 2.251 43.073 40.800 0.035 0.000 1.626 505 D HN 0.771 nan 8.370 nan 0.000 0.487 506 S N 2.488 118.175 115.700 -0.022 0.000 3.938 506 S HA -0.315 4.155 4.470 -0.000 0.000 0.624 506 S C 0.476 175.035 174.600 -0.069 0.000 2.186 506 S CA 1.670 59.838 58.200 -0.053 0.000 4.144 506 S CB -1.165 61.978 63.200 -0.095 0.000 0.230 506 S HN 0.844 nan 8.310 nan 0.000 0.755 507 N N 2.153 120.639 118.700 -0.357 0.000 2.376 507 N HA 0.260 5.000 4.740 -0.000 0.000 0.249 507 N C -0.139 174.945 175.510 -0.710 0.000 1.140 507 N CA -0.114 52.374 53.050 -0.935 0.000 0.870 507 N CB -0.407 37.462 38.487 -1.031 0.000 1.124 507 N HN 0.525 nan 8.380 nan 0.000 0.505 508 R N 0.053 120.399 120.500 -0.256 0.000 2.686 508 R HA 0.567 4.907 4.340 -0.000 0.000 0.286 508 R C -0.643 175.622 176.300 -0.059 0.000 0.969 508 R CA -0.687 55.310 56.100 -0.172 0.000 0.898 508 R CB 2.140 32.369 30.300 -0.119 0.000 1.183 508 R HN 0.090 nan 8.270 nan 0.000 0.456 509 I N 2.187 122.682 120.570 -0.126 0.000 2.406 509 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 509 I C -0.599 175.485 176.117 -0.055 0.000 0.999 509 I CA -0.654 60.563 61.300 -0.137 0.000 1.124 509 I CB 1.798 39.552 38.000 -0.411 0.000 1.289 509 I HN 0.397 nan 8.210 nan 0.000 0.441 510 D N 4.998 125.409 120.400 0.018 0.000 2.374 510 D HA 0.452 5.092 4.640 -0.000 0.000 0.239 510 D C -0.715 175.657 176.300 0.120 0.000 0.991 510 D CA -0.686 53.353 54.000 0.065 0.000 0.960 510 D CB 2.504 43.351 40.800 0.079 0.000 1.284 510 D HN 0.188 nan 8.370 nan 0.000 0.512 511 K N 0.324 120.807 120.400 0.138 0.000 2.345 511 K HA 0.226 4.546 4.320 -0.000 0.000 0.255 511 K C -1.425 175.308 176.600 0.221 0.000 0.934 511 K CA -0.781 55.617 56.287 0.184 0.000 0.801 511 K CB 1.425 34.017 32.500 0.154 0.000 1.137 511 K HN 0.441 nan 8.250 nan 0.000 0.424 512 W N 6.091 127.414 121.300 0.039 0.000 2.335 512 W HA 0.177 4.837 4.660 0.000 0.000 0.306 512 W C -0.583 175.964 176.519 0.046 0.000 1.216 512 W CA -0.340 57.008 57.345 0.004 0.000 1.237 512 W CB 0.973 30.413 29.460 -0.034 0.000 1.243 512 W HN 0.646 nan 8.180 nan 0.000 0.493 513 D N 6.592 126.702 120.400 -0.483 0.000 2.374 513 D HA -0.078 4.562 4.640 -0.000 0.000 0.240 513 D C 0.817 176.537 176.300 -0.967 0.000 1.229 513 D CA -0.191 53.458 54.000 -0.585 0.000 0.895 513 D CB 0.187 40.699 40.800 -0.481 0.000 1.046 513 D HN 0.472 nan 8.370 nan 0.000 0.498 514 Y N 2.468 122.460 120.300 -0.513 0.000 2.314 514 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 514 Y C 2.021 177.812 175.900 -0.182 0.000 1.129 514 Y CA 0.673 58.594 58.100 -0.299 0.000 1.201 514 Y CB -0.573 37.978 38.460 0.152 0.000 0.999 514 Y HN 0.316 nan 8.280 nan 0.000 0.541 515 Q N 1.603 121.089 119.800 -0.523 0.000 2.084 515 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 515 Q C 0.937 176.803 176.000 -0.223 0.000 0.978 515 Q CA 2.373 58.012 55.803 -0.274 0.000 0.844 515 Q CB -0.388 28.135 28.738 -0.360 0.000 0.898 515 Q HN 0.747 nan 8.270 nan 0.000 0.426 516 N N -1.590 116.905 118.700 -0.342 0.000 2.254 516 N HA 0.243 4.982 4.740 -0.000 0.000 0.190 516 N C -0.015 175.285 175.510 -0.349 0.000 1.107 516 N CA 0.425 53.302 53.050 -0.289 0.000 0.869 516 N CB 0.924 39.249 38.487 -0.269 0.000 0.983 516 N HN 0.296 nan 8.380 nan 0.000 0.487 517 G N 1.199 109.650 108.800 -0.581 0.000 2.298 517 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.287 517 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.287 517 G C -0.267 174.137 174.900 -0.825 0.000 1.075 517 G CA 0.554 45.237 45.100 -0.696 0.000 0.960 517 G HN 0.402 nan 8.290 nan 0.000 0.502 518 V N -3.759 115.480 119.914 -1.125 0.000 2.971 518 V HA 0.907 5.027 4.120 -0.000 0.000 0.309 518 V C 0.185 176.047 176.094 -0.386 0.000 1.130 518 V CA -0.616 61.374 62.300 -0.516 0.000 0.964 518 V CB 1.882 33.545 31.823 -0.266 0.000 1.029 518 V HN 0.614 nan 8.190 nan 0.000 0.427 519 S N 3.282 119.003 115.700 0.036 0.000 2.562 519 S HA 0.666 5.136 4.470 -0.000 0.000 0.275 519 S C -0.407 174.213 174.600 0.034 0.000 1.281 519 S CA -0.752 57.535 58.200 0.144 0.000 1.045 519 S CB 0.802 64.129 63.200 0.212 0.000 0.962 519 S HN 0.728 nan 8.310 nan 0.000 0.503 520 K N 2.345 122.767 120.400 0.035 0.000 2.427 520 K HA 0.340 4.660 4.320 -0.000 0.000 0.252 520 K C -0.662 175.958 176.600 0.032 0.000 0.931 520 K CA -0.815 55.479 56.287 0.013 0.000 0.793 520 K CB 1.639 34.132 32.500 -0.012 0.000 1.211 520 K HN 0.559 nan 8.250 nan 0.000 0.426 521 N N 1.785 120.495 118.700 0.017 0.000 2.513 521 N HA 0.082 4.822 4.740 -0.000 0.000 0.268 521 N C 0.618 176.143 175.510 0.024 0.000 1.180 521 N CA 0.321 53.378 53.050 0.011 0.000 0.948 521 N CB 0.692 39.172 38.487 -0.012 0.000 1.083 521 N HN 0.644 nan 8.380 nan 0.000 0.455 522 M N 2.547 122.164 119.600 0.029 0.000 2.740 522 M HA 0.347 4.827 4.480 -0.000 0.000 0.253 522 M C -1.014 175.322 176.300 0.060 0.000 1.341 522 M CA 0.109 55.453 55.300 0.072 0.000 1.176 522 M CB 0.492 33.169 32.600 0.128 0.000 1.310 522 M HN 0.508 nan 8.290 nan 0.000 0.531 523 L N 0.274 121.477 121.223 -0.032 0.000 2.493 523 L HA 0.526 4.865 4.340 -0.000 0.000 0.265 523 L C -1.600 175.179 176.870 -0.152 0.000 0.954 523 L CA 0.092 54.889 54.840 -0.073 0.000 0.844 523 L CB 2.453 44.414 42.059 -0.164 0.000 1.302 523 L HN -0.099 nan 8.230 nan 0.000 0.405 524 T N 4.270 118.735 114.554 -0.150 0.000 2.815 524 T HA 0.662 5.012 4.350 -0.000 0.000 0.289 524 T C -0.139 174.389 174.700 -0.288 0.000 1.000 524 T CA -0.103 61.855 62.100 -0.236 0.000 0.958 524 T CB 1.379 70.151 68.868 -0.159 0.000 0.944 524 T HN 0.781 nan 8.240 nan 0.000 0.442 525 A N 3.462 125.952 122.820 -0.551 0.000 2.915 525 A HA 0.495 4.815 4.320 -0.000 0.000 0.292 525 A C 0.756 178.118 177.584 -0.370 0.000 1.632 525 A CA -0.522 51.173 52.037 -0.569 0.000 1.337 525 A CB -0.412 17.842 19.000 -1.243 0.000 1.111 525 A HN 0.700 nan 8.150 nan 0.000 0.569 526 S N 0.845 116.446 115.700 -0.166 0.000 2.544 526 S HA 0.395 4.865 4.470 -0.000 0.000 0.290 526 S C 1.534 176.074 174.600 -0.100 0.000 1.276 526 S CA 0.926 59.056 58.200 -0.117 0.000 1.075 526 S CB 0.548 63.724 63.200 -0.041 0.000 0.849 526 S HN 1.906 nan 8.310 nan 0.000 0.494 527 G N 1.672 110.397 108.800 -0.124 0.000 2.195 527 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.246 527 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.246 527 G C 0.126 174.938 174.900 -0.146 0.000 0.984 527 G CA -0.056 44.979 45.100 -0.107 0.000 0.633 527 G HN 1.182 nan 8.290 nan 0.000 0.525 528 A N -0.225 122.459 122.820 -0.227 0.000 2.306 528 A HA 1.044 5.363 4.320 -0.000 0.000 0.330 528 A C 0.304 177.683 177.584 -0.342 0.000 1.146 528 A CA 0.688 52.566 52.037 -0.265 0.000 0.827 528 A CB 1.540 20.322 19.000 -0.362 0.000 1.178 528 A HN 2.103 nan 8.150 nan 0.000 0.490 529 A N 0.232 122.914 122.820 -0.230 0.000 2.435 529 A HA 0.823 5.143 4.320 -0.000 0.000 0.304 529 A C 0.107 177.654 177.584 -0.061 0.000 1.064 529 A CA 0.003 51.929 52.037 -0.184 0.000 0.727 529 A CB 1.112 20.058 19.000 -0.090 0.000 1.284 529 A HN 2.173 nan 8.150 nan 0.000 0.415 530 A N 1.372 124.160 122.820 -0.053 0.000 2.240 530 A HA 0.769 5.089 4.320 -0.000 0.000 0.292 530 A C -0.018 177.580 177.584 0.023 0.000 1.121 530 A CA -0.605 51.478 52.037 0.076 0.000 0.851 530 A CB 0.291 19.315 19.000 0.040 0.000 1.167 530 A HN 0.837 nan 8.150 nan 0.000 0.503 531 N N 0.012 118.720 118.700 0.012 0.000 2.545 531 N HA 0.367 5.107 4.740 -0.000 0.000 0.289 531 N C -0.918 174.586 175.510 -0.011 0.000 1.279 531 N CA -0.616 52.437 53.050 0.005 0.000 0.824 531 N CB 0.763 39.255 38.487 0.010 0.000 1.395 531 N HN 0.561 nan 8.380 nan 0.000 0.526 532 N N -0.162 118.540 118.700 0.003 0.000 2.783 532 N HA -0.160 4.580 4.740 -0.000 0.000 0.247 532 N C 0.854 176.346 175.510 -0.030 0.000 1.089 532 N CA 1.148 54.196 53.050 -0.003 0.000 0.690 532 N CB -1.501 36.985 38.487 -0.002 0.000 0.991 532 N HN 0.977 nan 8.380 nan 0.000 0.552 533 G N 0.462 109.251 108.800 -0.019 0.000 2.629 533 G HA2 -0.492 3.468 3.960 -0.000 0.000 0.313 533 G HA3 -0.492 3.468 3.960 -0.000 0.000 0.313 533 G C 1.159 176.032 174.900 -0.045 0.000 1.217 533 G CA 2.582 47.667 45.100 -0.026 0.000 0.994 533 G HN 1.008 nan 8.290 nan 0.000 0.549 534 T N -0.920 113.600 114.554 -0.057 0.000 2.962 534 T HA 0.044 4.394 4.350 -0.000 0.000 0.270 534 T C 2.017 176.666 174.700 -0.085 0.000 1.088 534 T CA 1.923 63.986 62.100 -0.063 0.000 1.127 534 T CB -0.105 68.727 68.868 -0.060 0.000 0.883 534 T HN 0.493 nan 8.240 nan 0.000 0.493 535 K N 1.814 122.142 120.400 -0.120 0.000 2.148 535 K HA 0.272 4.592 4.320 -0.000 0.000 0.204 535 K C 1.572 178.119 176.600 -0.088 0.000 1.050 535 K CA 0.811 57.020 56.287 -0.129 0.000 0.942 535 K CB -1.009 31.387 32.500 -0.175 0.000 0.724 535 K HN 0.639 nan 8.250 nan 0.000 0.446 536 A N 2.032 124.806 122.820 -0.075 0.000 2.466 536 A HA -0.168 4.152 4.320 -0.000 0.000 0.295 536 A C 0.416 177.932 177.584 -0.112 0.000 1.465 536 A CA 1.138 53.133 52.037 -0.069 0.000 0.744 536 A CB -2.370 16.596 19.000 -0.057 0.000 1.098 536 A HN 0.459 nan 8.150 nan 0.000 0.402 537 T N -0.825 113.647 114.554 -0.136 0.000 2.907 537 T HA 0.736 5.086 4.350 -0.000 0.000 0.284 537 T C -2.056 172.520 174.700 -0.207 0.000 1.004 537 T CA -1.694 60.235 62.100 -0.286 0.000 1.063 537 T CB 2.054 70.794 68.868 -0.212 0.000 0.992 537 T HN 0.417 nan 8.240 nan 0.000 0.483 538 P HA 0.185 nan 4.420 nan 0.000 0.274 538 P C 0.842 178.020 177.300 -0.204 0.000 1.237 538 P CA -0.310 62.594 63.100 -0.327 0.000 0.793 538 P CB 0.518 31.807 31.700 -0.685 0.000 0.977 539 T N 0.323 114.795 114.554 -0.138 0.000 2.699 539 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 539 T C 0.746 175.397 174.700 -0.081 0.000 1.036 539 T CA 1.573 63.622 62.100 -0.086 0.000 1.147 539 T CB -0.416 68.405 68.868 -0.078 0.000 0.862 539 T HN 0.336 nan 8.240 nan 0.000 0.446 540 L N -0.240 120.900 121.223 -0.138 0.000 2.591 540 L HA 0.413 4.753 4.340 -0.000 0.000 0.257 540 L C -1.574 175.221 176.870 -0.124 0.000 0.935 540 L CA -0.566 54.223 54.840 -0.085 0.000 0.873 540 L CB 2.254 44.282 42.059 -0.052 0.000 1.397 540 L HN -0.016 nan 8.230 nan 0.000 0.414 541 Q N 3.521 123.308 119.800 -0.021 0.000 2.333 541 Q HA 0.894 5.234 4.340 -0.000 0.000 0.268 541 Q C -1.687 174.336 176.000 0.037 0.000 1.007 541 Q CA -0.367 55.439 55.803 0.006 0.000 0.810 541 Q CB 1.876 30.689 28.738 0.126 0.000 1.264 541 Q HN 0.952 nan 8.270 nan 0.000 0.452 542 A N 3.238 126.112 122.820 0.091 0.000 2.594 542 A HA 0.256 4.576 4.320 -0.000 0.000 0.296 542 A C -1.669 176.046 177.584 0.218 0.000 1.056 542 A CA -0.774 51.365 52.037 0.170 0.000 0.693 542 A CB 1.539 20.558 19.000 0.032 0.000 1.278 542 A HN 0.792 nan 8.150 nan 0.000 0.408 543 D N 1.930 122.504 120.400 0.290 0.000 2.398 543 D HA 0.317 4.957 4.640 -0.000 0.000 0.250 543 D C 0.574 176.974 176.300 0.166 0.000 1.287 543 D CA 0.216 54.320 54.000 0.174 0.000 0.992 543 D CB -0.183 40.661 40.800 0.074 0.000 1.071 543 D HN 0.404 nan 8.370 nan 0.000 0.514 544 L N 2.352 123.678 121.223 0.171 0.000 2.515 544 L HA 0.283 4.623 4.340 -0.000 0.000 0.223 544 L C 0.436 177.467 176.870 0.267 0.000 1.079 544 L CA 0.208 55.184 54.840 0.228 0.000 0.857 544 L CB 0.100 42.268 42.059 0.181 0.000 1.050 544 L HN 0.302 nan 8.230 nan 0.000 0.476 545 L N -1.850 119.488 121.223 0.193 0.000 2.540 545 L HA 0.648 4.987 4.340 -0.000 0.000 0.256 545 L C 0.379 177.304 176.870 0.091 0.000 1.001 545 L CA -0.503 54.432 54.840 0.158 0.000 0.843 545 L CB 1.863 44.041 42.059 0.198 0.000 1.436 545 L HN 0.104 nan 8.230 nan 0.000 0.410 546 G N 1.414 110.251 108.800 0.062 0.000 2.569 546 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.259 546 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.259 546 G C -0.541 174.336 174.900 -0.037 0.000 1.263 546 G CA 0.349 45.449 45.100 -0.000 0.000 0.928 546 G HN 0.965 nan 8.290 nan 0.000 0.572 547 D N -0.343 119.978 120.400 -0.131 0.000 2.376 547 D HA 0.222 4.862 4.640 -0.000 0.000 0.268 547 D C 1.878 178.133 176.300 -0.074 0.000 1.252 547 D CA 0.374 54.287 54.000 -0.145 0.000 1.041 547 D CB -0.492 40.151 40.800 -0.263 0.000 1.109 547 D HN 0.951 nan 8.370 nan 0.000 0.552 548 W N -0.984 120.259 121.300 -0.095 0.000 2.468 548 W HA 0.016 4.676 4.660 -0.000 0.000 0.262 548 W C -0.014 176.479 176.519 -0.043 0.000 1.241 548 W CA -0.474 56.820 57.345 -0.085 0.000 1.232 548 W CB -0.857 28.531 29.460 -0.120 0.000 1.124 548 W HN -0.012 nan 8.180 nan 0.000 0.597 549 R N 2.221 122.339 120.500 -0.637 0.000 2.784 549 R HA 0.073 4.413 4.340 -0.000 0.000 0.266 549 R C 0.097 176.371 176.300 -0.044 0.000 1.044 549 R CA 0.258 56.079 56.100 -0.466 0.000 1.151 549 R CB 0.301 30.229 30.300 -0.620 0.000 1.037 549 R HN 0.103 nan 8.270 nan 0.000 0.478 550 E N 1.423 121.721 120.200 0.163 0.000 2.249 550 E HA 0.102 4.452 4.350 -0.000 0.000 0.280 550 E C -0.530 176.250 176.600 0.299 0.000 1.016 550 E CA -0.507 56.046 56.400 0.255 0.000 0.830 550 E CB 1.083 30.981 29.700 0.330 0.000 1.081 550 E HN 0.331 nan 8.360 nan 0.000 0.395 551 E N 0.924 121.273 120.200 0.248 0.000 2.349 551 E HA 0.254 4.604 4.350 -0.000 0.000 0.262 551 E C -0.872 175.817 176.600 0.149 0.000 1.088 551 E CA -0.385 56.187 56.400 0.286 0.000 0.899 551 E CB 1.134 30.983 29.700 0.249 0.000 1.044 551 E HN 0.119 nan 8.360 nan 0.000 0.420 552 V N 1.738 121.694 119.914 0.070 0.000 2.540 552 V HA 0.370 4.490 4.120 -0.000 0.000 0.302 552 V C -0.654 175.321 176.094 -0.199 0.000 1.035 552 V CA -0.975 61.131 62.300 -0.324 0.000 0.873 552 V CB 1.852 33.081 31.823 -0.990 0.000 0.992 552 V HN 0.370 nan 8.190 nan 0.000 0.428 553 V N 3.825 123.577 119.914 -0.270 0.000 2.328 553 V HA 0.451 4.571 4.120 -0.000 0.000 0.278 553 V C -0.724 175.250 176.094 -0.199 0.000 1.021 553 V CA -0.480 61.753 62.300 -0.111 0.000 0.838 553 V CB 1.197 32.988 31.823 -0.055 0.000 0.999 553 V HN 0.776 nan 8.190 nan 0.000 0.447 554 W N 4.336 125.651 121.300 0.024 0.000 2.689 554 W HA 0.572 5.232 4.660 -0.000 0.000 0.340 554 W C 0.402 176.881 176.519 -0.066 0.000 1.060 554 W CA -0.980 56.335 57.345 -0.049 0.000 1.218 554 W CB 2.214 31.628 29.460 -0.077 0.000 1.410 554 W HN 0.629 nan 8.180 nan 0.000 0.528 555 R N 0.113 120.702 120.500 0.148 0.000 2.615 555 R HA 0.431 4.771 4.340 -0.000 0.000 0.270 555 R C 0.539 176.850 176.300 0.019 0.000 1.081 555 R CA -0.273 55.845 56.100 0.029 0.000 1.154 555 R CB 0.208 30.497 30.300 -0.017 0.000 1.063 555 R HN 0.378 nan 8.270 nan 0.000 0.519 556 T N -1.312 113.228 114.554 -0.023 0.000 2.813 556 T HA 0.058 4.408 4.350 -0.000 0.000 0.297 556 T C 0.945 175.632 174.700 -0.023 0.000 1.036 556 T CA -0.514 61.561 62.100 -0.042 0.000 1.044 556 T CB 0.929 69.769 68.868 -0.046 0.000 0.993 556 T HN 0.727 nan 8.240 nan 0.000 0.535 557 E N 0.819 120.999 120.200 -0.035 0.000 2.118 557 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 557 E C 1.433 178.040 176.600 0.012 0.000 0.992 557 E CA 1.541 57.929 56.400 -0.021 0.000 0.804 557 E CB -0.092 29.589 29.700 -0.033 0.000 0.741 557 E HN 0.877 nan 8.360 nan 0.000 0.458 558 D N -0.978 119.434 120.400 0.020 0.000 2.339 558 D HA 0.024 4.663 4.640 -0.000 0.000 0.217 558 D C 0.025 176.379 176.300 0.090 0.000 1.050 558 D CA 0.178 54.206 54.000 0.046 0.000 0.856 558 D CB 0.263 41.082 40.800 0.032 0.000 0.922 558 D HN -0.153 nan 8.370 nan 0.000 0.518 559 S N -1.121 114.632 115.700 0.089 0.000 3.521 559 S HA -0.240 4.230 4.470 -0.000 0.000 0.328 559 S C 1.282 175.986 174.600 0.173 0.000 1.165 559 S CA 0.844 59.133 58.200 0.147 0.000 0.941 559 S CB -2.291 61.095 63.200 0.310 0.000 0.951 559 S HN 0.655 nan 8.310 nan 0.000 0.539 560 S N -0.691 115.059 115.700 0.084 0.000 2.489 560 S HA 0.588 5.058 4.470 -0.000 0.000 0.228 560 S C 0.595 175.201 174.600 0.010 0.000 0.995 560 S CA 0.392 58.627 58.200 0.059 0.000 0.934 560 S CB 0.219 63.435 63.200 0.027 0.000 0.771 560 S HN 1.499 nan 8.310 nan 0.000 0.522 561 A N 0.224 123.028 122.820 -0.026 0.000 2.612 561 A HA 0.701 5.021 4.320 -0.000 0.000 0.293 561 A C -1.350 176.165 177.584 -0.114 0.000 1.075 561 A CA -0.942 51.038 52.037 -0.095 0.000 0.680 561 A CB 0.744 19.687 19.000 -0.094 0.000 1.279 561 A HN 0.299 nan 8.150 nan 0.000 0.411 562 L N 0.828 121.956 121.223 -0.158 0.000 2.322 562 L HA 0.631 4.971 4.340 -0.000 0.000 0.279 562 L C 0.203 177.020 176.870 -0.087 0.000 1.036 562 L CA -0.560 54.212 54.840 -0.112 0.000 0.807 562 L CB 1.609 43.585 42.059 -0.139 0.000 1.226 562 L HN 0.735 nan 8.230 nan 0.000 0.433 563 R N 3.294 123.786 120.500 -0.014 0.000 2.387 563 R HA 0.571 4.911 4.340 -0.000 0.000 0.314 563 R C -1.004 175.379 176.300 0.138 0.000 0.958 563 R CA -0.591 55.493 56.100 -0.026 0.000 0.846 563 R CB 1.872 32.048 30.300 -0.206 0.000 1.147 563 R HN 0.512 nan 8.270 nan 0.000 0.447 564 I N 4.071 124.708 120.570 0.112 0.000 2.297 564 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 564 I C -0.562 175.771 176.117 0.359 0.000 1.033 564 I CA -0.567 60.879 61.300 0.243 0.000 1.253 564 I CB 0.474 38.618 38.000 0.240 0.000 1.396 564 I HN 0.415 nan 8.210 nan 0.000 0.476 565 Y N 4.175 124.718 120.300 0.404 0.000 2.320 565 Y HA 0.361 4.911 4.550 -0.000 0.000 0.334 565 Y C 0.759 177.006 175.900 0.579 0.000 1.055 565 Y CA -0.193 58.242 58.100 0.559 0.000 1.143 565 Y CB 1.730 40.498 38.460 0.513 0.000 1.193 565 Y HN 0.409 nan 8.280 nan 0.000 0.477 566 T N 2.258 117.188 114.554 0.627 0.000 2.863 566 T HA 0.227 4.577 4.350 -0.000 0.000 0.285 566 T C -0.316 174.320 174.700 -0.107 0.000 1.009 566 T CA -0.557 61.692 62.100 0.249 0.000 0.989 566 T CB 1.098 69.988 68.868 0.037 0.000 1.004 566 T HN 0.663 nan 8.240 nan 0.000 0.455 567 T N 1.657 115.783 114.554 -0.713 0.000 2.926 567 T HA 0.312 4.662 4.350 -0.000 0.000 0.307 567 T C 1.287 175.387 174.700 -1.000 0.000 1.059 567 T CA 0.311 61.676 62.100 -1.225 0.000 1.122 567 T CB 0.357 68.216 68.868 -1.682 0.000 0.972 567 T HN 0.815 nan 8.240 nan 0.000 0.545 568 T N 2.196 116.133 114.554 -1.029 0.000 3.182 568 T HA 0.371 4.721 4.350 -0.000 0.000 0.277 568 T C 0.482 174.464 174.700 -1.197 0.000 1.013 568 T CA -0.376 60.761 62.100 -1.605 0.000 0.900 568 T CB -0.458 67.926 68.868 -0.807 0.000 1.098 568 T HN 0.520 nan 8.240 nan 0.000 0.543 569 I N 3.298 123.366 120.570 -0.836 0.000 2.379 569 I HA 0.308 4.477 4.170 -0.000 0.000 0.290 569 I C -2.284 173.651 176.117 -0.303 0.000 1.063 569 I CA -2.534 58.497 61.300 -0.448 0.000 1.351 569 I CB 0.808 38.599 38.000 -0.350 0.000 1.410 569 I HN -0.011 nan 8.210 nan 0.000 0.505 570 P HA 0.066 nan 4.420 nan 0.000 0.269 570 P C -0.396 176.901 177.300 -0.005 0.000 1.215 570 P CA -0.095 63.043 63.100 0.063 0.000 0.780 570 P CB 0.697 32.421 31.700 0.039 0.000 0.898 571 T N -0.359 114.200 114.554 0.008 0.000 2.900 571 T HA 0.224 4.574 4.350 -0.000 0.000 0.295 571 T C 0.792 175.473 174.700 -0.032 0.000 1.044 571 T CA -0.601 61.519 62.100 0.033 0.000 0.995 571 T CB 0.939 69.897 68.868 0.150 0.000 1.072 571 T HN 0.507 nan 8.240 nan 0.000 0.473 572 E N 1.755 121.868 120.200 -0.145 0.000 2.478 572 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 572 E C -0.168 176.247 176.600 -0.309 0.000 1.045 572 E CA 0.112 56.352 56.400 -0.267 0.000 0.868 572 E CB 0.035 29.518 29.700 -0.362 0.000 0.885 572 E HN 0.555 nan 8.360 nan 0.000 0.505 573 H N 1.508 120.632 119.070 0.090 0.000 2.489 573 H HA 0.366 4.922 4.556 -0.000 0.000 0.322 573 H C -0.657 174.694 175.328 0.039 0.000 1.091 573 H CA -0.588 55.475 56.048 0.026 0.000 1.291 573 H CB 1.400 31.153 29.762 -0.015 0.000 1.436 573 H HN 0.020 nan 8.280 nan 0.000 0.480 574 R N 3.248 123.726 120.500 -0.037 0.000 2.338 574 R HA 0.456 4.796 4.340 -0.000 0.000 0.317 574 R C -1.427 174.722 176.300 -0.251 0.000 0.968 574 R CA -0.697 55.323 56.100 -0.133 0.000 0.849 574 R CB 0.461 30.590 30.300 -0.285 0.000 1.128 574 R HN 0.362 nan 8.270 nan 0.000 0.448 575 L N 3.880 124.961 121.223 -0.237 0.000 2.371 575 L HA 0.418 4.758 4.340 -0.000 0.000 0.262 575 L C -0.956 175.955 176.870 0.069 0.000 1.006 575 L CA -0.765 53.933 54.840 -0.236 0.000 0.818 575 L CB 1.419 43.105 42.059 -0.621 0.000 1.354 575 L HN 0.488 nan 8.230 nan 0.000 0.415 576 Y N 0.329 120.693 120.300 0.108 0.000 2.702 576 Y HA 0.015 4.565 4.550 0.000 0.000 0.336 576 Y C 1.320 177.243 175.900 0.039 0.000 1.235 576 Y CA 0.535 58.627 58.100 -0.013 0.000 1.492 576 Y CB 0.310 38.677 38.460 -0.155 0.000 1.308 576 Y HN 0.536 nan 8.280 nan 0.000 0.589 577 T N 4.357 119.028 114.554 0.196 0.000 2.923 577 T HA -0.032 4.318 4.350 -0.000 0.000 0.304 577 T C 1.276 175.999 174.700 0.037 0.000 1.044 577 T CA -0.164 61.986 62.100 0.083 0.000 1.141 577 T CB 0.132 68.986 68.868 -0.023 0.000 1.023 577 T HN 0.659 nan 8.240 nan 0.000 0.533 578 L N 4.608 125.789 121.223 -0.070 0.000 2.275 578 L HA -0.054 4.286 4.340 -0.000 0.000 0.215 578 L C 2.491 179.310 176.870 -0.086 0.000 1.119 578 L CA 0.632 55.296 54.840 -0.293 0.000 0.790 578 L CB -0.394 41.073 42.059 -0.986 0.000 0.919 578 L HN 0.654 nan 8.230 nan 0.000 0.443 579 M N -1.225 118.403 119.600 0.047 0.000 2.630 579 M HA -0.100 4.379 4.480 -0.000 0.000 0.254 579 M C 1.332 177.767 176.300 0.225 0.000 1.092 579 M CA 1.391 56.809 55.300 0.196 0.000 1.087 579 M CB -1.147 31.580 32.600 0.212 0.000 1.453 579 M HN 0.349 nan 8.290 nan 0.000 0.509 580 H N -1.398 117.739 119.070 0.111 0.000 2.529 580 H HA 0.115 4.671 4.556 -0.000 0.000 0.277 580 H C -0.223 175.123 175.328 0.030 0.000 1.004 580 H CA -0.475 55.600 56.048 0.045 0.000 1.167 580 H CB 0.511 30.268 29.762 -0.009 0.000 1.445 580 H HN 0.259 nan 8.280 nan 0.000 0.554 581 D N 0.533 121.062 120.400 0.215 0.000 2.225 581 D HA 0.074 4.714 4.640 -0.000 0.000 0.248 581 D C -1.663 174.735 176.300 0.164 0.000 1.096 581 D CA -2.278 51.845 54.000 0.206 0.000 0.863 581 D CB 1.810 42.782 40.800 0.287 0.000 1.156 581 D HN -0.093 nan 8.370 nan 0.000 0.450 582 P HA -0.187 nan 4.420 nan 0.000 0.214 582 P C 1.350 178.683 177.300 0.055 0.000 1.163 582 P CA 0.654 63.752 63.100 -0.004 0.000 0.889 582 P CB 0.206 31.865 31.700 -0.069 0.000 0.790 583 V N -1.762 118.215 119.914 0.104 0.000 2.358 583 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 583 V C 2.341 178.491 176.094 0.094 0.000 1.047 583 V CA 1.609 63.980 62.300 0.118 0.000 1.035 583 V CB -1.305 30.604 31.823 0.144 0.000 0.658 583 V HN 0.045 nan 8.190 nan 0.000 0.452 584 Y N 1.358 121.672 120.300 0.024 0.000 2.145 584 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 584 Y C 2.780 178.635 175.900 -0.075 0.000 1.145 584 Y CA 2.318 60.410 58.100 -0.014 0.000 1.148 584 Y CB -0.126 38.365 38.460 0.052 0.000 0.981 584 Y HN 0.120 nan 8.280 nan 0.000 0.507 585 R N 0.732 121.354 120.500 0.203 0.000 2.091 585 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 585 R C 2.017 178.310 176.300 -0.012 0.000 1.136 585 R CA 2.064 58.250 56.100 0.144 0.000 0.959 585 R CB -0.972 29.472 30.300 0.241 0.000 0.856 585 R HN 0.531 nan 8.270 nan 0.000 0.437 586 L N -0.894 120.299 121.223 -0.050 0.000 2.141 586 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 586 L C 2.379 178.868 176.870 -0.636 0.000 1.094 586 L CA 1.256 56.013 54.840 -0.138 0.000 0.763 586 L CB -0.829 41.242 42.059 0.021 0.000 0.908 586 L HN 0.462 nan 8.230 nan 0.000 0.437 587 G N 0.455 108.719 108.800 -0.892 0.000 2.422 587 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 587 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 587 G C 1.504 175.526 174.900 -1.462 0.000 1.146 587 G CA 0.345 44.302 45.100 -1.905 0.000 0.769 587 G HN 0.146 nan 8.290 nan 0.000 0.547 588 I N 1.860 121.928 120.570 -0.836 0.000 2.315 588 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 588 I C 3.206 179.098 176.117 -0.374 0.000 1.117 588 I CA 0.884 61.864 61.300 -0.533 0.000 1.404 588 I CB -1.353 36.441 38.000 -0.344 0.000 1.071 588 I HN 0.248 nan 8.210 nan 0.000 0.419 589 A N 1.412 124.055 122.820 -0.295 0.000 1.908 589 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 589 A C 2.064 179.583 177.584 -0.109 0.000 1.181 589 A CA 1.629 53.594 52.037 -0.121 0.000 0.627 589 A CB -1.070 17.942 19.000 0.020 0.000 0.818 589 A HN 0.716 nan 8.150 nan 0.000 0.445 590 W N -0.884 120.360 121.300 -0.093 0.000 3.290 590 W HA 0.218 4.878 4.660 -0.000 0.000 0.287 590 W C 1.293 177.735 176.519 -0.129 0.000 1.288 590 W CA 0.326 57.606 57.345 -0.109 0.000 1.725 590 W CB -0.532 28.883 29.460 -0.074 0.000 1.103 590 W HN 0.490 nan 8.180 nan 0.000 0.670 591 Q N 2.870 122.661 119.800 -0.016 0.000 2.112 591 Q HA -0.279 4.060 4.340 -0.000 0.000 0.206 591 Q C 2.286 178.352 176.000 0.110 0.000 0.987 591 Q CA 2.595 58.433 55.803 0.058 0.000 0.858 591 Q CB -0.420 28.254 28.738 -0.107 0.000 0.905 591 Q HN 0.398 nan 8.270 nan 0.000 0.420 592 N N 1.113 119.796 118.700 -0.030 0.000 2.381 592 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 592 N C 0.978 176.504 175.510 0.026 0.000 1.025 592 N CA 0.720 53.741 53.050 -0.049 0.000 0.888 592 N CB -0.752 37.531 38.487 -0.339 0.000 0.965 592 N HN 0.455 nan 8.380 nan 0.000 0.438 593 I N -1.928 118.673 120.570 0.052 0.000 2.648 593 I HA 0.326 4.496 4.170 -0.000 0.000 0.284 593 I C 1.205 177.362 176.117 0.068 0.000 1.153 593 I CA -0.308 61.031 61.300 0.064 0.000 1.426 593 I CB 0.790 38.836 38.000 0.076 0.000 1.381 593 I HN 0.264 nan 8.210 nan 0.000 0.571 594 A N 5.515 128.362 122.820 0.045 0.000 5.328 594 A HA -0.332 3.988 4.320 -0.000 0.000 0.346 594 A C 0.301 177.922 177.584 0.061 0.000 1.675 594 A CA 1.786 53.791 52.037 -0.053 0.000 0.717 594 A CB -1.997 17.015 19.000 0.020 0.000 1.467 594 A HN 0.882 nan 8.150 nan 0.000 0.409 595 Y N 1.618 121.937 120.300 0.031 0.000 2.627 595 Y HA 0.227 4.777 4.550 -0.000 0.000 0.347 595 Y C 0.480 176.407 175.900 0.046 0.000 1.099 595 Y CA -0.568 57.544 58.100 0.020 0.000 1.408 595 Y CB -0.136 38.339 38.460 0.025 0.000 1.247 595 Y HN 0.522 nan 8.280 nan 0.000 0.506 596 N N 3.717 122.569 118.700 0.254 0.000 2.219 596 N HA -0.092 4.648 4.740 -0.000 0.000 0.263 596 N C -0.345 175.342 175.510 0.294 0.000 1.269 596 N CA 0.498 53.710 53.050 0.270 0.000 0.831 596 N CB 0.306 38.987 38.487 0.323 0.000 1.059 596 N HN 0.512 nan 8.380 nan 0.000 0.475 597 Q N 2.076 121.978 119.800 0.170 0.000 2.348 597 Q HA 0.519 4.859 4.340 -0.000 0.000 0.271 597 Q C -2.372 173.399 176.000 -0.382 0.000 1.067 597 Q CA -1.785 53.984 55.803 -0.058 0.000 0.839 597 Q CB 1.773 30.433 28.738 -0.129 0.000 1.354 597 Q HN 0.417 nan 8.270 nan 0.000 0.447 598 P HA 0.242 nan 4.420 nan 0.000 0.274 598 P C -2.539 174.455 177.300 -0.509 0.000 1.237 598 P CA -1.282 61.178 63.100 -1.066 0.000 0.793 598 P CB 0.161 31.270 31.700 -0.986 0.000 0.977 599 P HA 0.345 nan 4.420 nan 0.000 0.279 599 P C -0.917 176.120 177.300 -0.438 0.000 1.252 599 P CA -0.045 62.712 63.100 -0.570 0.000 0.811 599 P CB 0.795 31.916 31.700 -0.965 0.000 1.035 600 H N -1.596 117.470 119.070 -0.006 0.000 2.865 600 H HA 0.468 5.024 4.556 -0.000 0.000 0.372 600 H C 0.090 175.561 175.328 0.238 0.000 1.173 600 H CA -0.334 55.822 56.048 0.180 0.000 1.147 600 H CB 1.568 31.419 29.762 0.148 0.000 1.805 600 H HN 0.336 nan 8.280 nan 0.000 0.553 601 T N -1.500 113.248 114.554 0.323 0.000 2.918 601 T HA 0.170 4.520 4.350 -0.000 0.000 0.283 601 T C 1.320 175.994 174.700 -0.043 0.000 1.001 601 T CA -0.238 61.854 62.100 -0.014 0.000 1.041 601 T CB 1.344 69.799 68.868 -0.689 0.000 1.028 601 T HN 0.663 nan 8.240 nan 0.000 0.511 602 S N 0.309 116.009 115.700 0.001 0.000 2.453 602 S HA 0.089 4.559 4.470 -0.000 0.000 0.231 602 S C 0.433 175.134 174.600 0.167 0.000 1.005 602 S CA -0.355 57.919 58.200 0.123 0.000 0.949 602 S CB -0.982 62.331 63.200 0.189 0.000 0.774 602 S HN 0.767 nan 8.310 nan 0.000 0.510 603 F N -0.861 119.166 119.950 0.128 0.000 2.541 603 F HA 0.740 5.267 4.527 -0.000 0.000 0.331 603 F C -0.441 175.469 175.800 0.184 0.000 1.057 603 F CA -2.471 55.607 58.000 0.131 0.000 0.975 603 F CB 0.314 39.356 39.000 0.069 0.000 1.246 603 F HN -0.053 nan 8.300 nan 0.000 0.484 604 F N 3.616 123.699 119.950 0.221 0.000 2.494 604 F HA 0.344 4.871 4.527 -0.000 0.000 0.369 604 F C -0.786 175.130 175.800 0.192 0.000 1.098 604 F CA -0.726 57.364 58.000 0.150 0.000 1.154 604 F CB 0.245 39.338 39.000 0.155 0.000 1.103 604 F HN 0.551 nan 8.300 nan 0.000 0.549 605 L N 7.663 128.542 121.223 -0.574 0.000 2.277 605 L HA 0.758 5.098 4.340 -0.000 0.000 0.284 605 L C -0.087 176.309 176.870 -0.791 0.000 1.028 605 L CA 0.051 54.538 54.840 -0.589 0.000 0.835 605 L CB 0.227 41.873 42.059 -0.687 0.000 1.215 605 L HN 0.852 nan 8.230 nan 0.000 0.425 606 G N 2.794 111.062 108.800 -0.886 0.000 2.320 606 G HA2 0.034 3.994 3.960 -0.000 0.000 0.296 606 G HA3 0.034 3.994 3.960 -0.000 0.000 0.296 606 G C -1.893 172.893 174.900 -0.191 0.000 1.306 606 G CA -0.877 43.888 45.100 -0.558 0.000 0.836 606 G HN 0.520 nan 8.290 nan 0.000 0.517 607 D N -0.605 119.853 120.400 0.098 0.000 2.458 607 D HA 0.439 5.079 4.640 -0.000 0.000 0.243 607 D C 1.389 177.847 176.300 0.263 0.000 1.146 607 D CA 2.125 56.209 54.000 0.140 0.000 0.877 607 D CB 0.402 41.279 40.800 0.129 0.000 1.176 607 D HN 1.785 nan 8.370 nan 0.000 0.461 608 G N 3.303 112.205 108.800 0.170 0.000 2.143 608 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.249 608 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.249 608 G C 0.534 175.580 174.900 0.244 0.000 0.981 608 G CA 0.442 45.650 45.100 0.181 0.000 0.665 608 G HN 0.707 nan 8.290 nan 0.000 0.528 609 M N 0.127 119.879 119.600 0.253 0.000 2.245 609 M HA 0.693 5.173 4.480 -0.000 0.000 0.330 609 M C 0.711 177.092 176.300 0.134 0.000 1.098 609 M CA 0.228 55.689 55.300 0.269 0.000 1.172 609 M CB 0.699 33.327 32.600 0.047 0.000 1.467 609 M HN 0.962 nan 8.290 nan 0.000 0.454 610 A N 1.644 124.551 122.820 0.145 0.000 2.332 610 A HA 0.203 4.523 4.320 -0.000 0.000 0.258 610 A C 0.026 177.614 177.584 0.008 0.000 1.087 610 A CA -0.512 51.566 52.037 0.070 0.000 0.802 610 A CB 0.232 19.278 19.000 0.076 0.000 1.042 610 A HN 0.932 nan 8.150 nan 0.000 0.489 611 E N 0.582 120.776 120.200 -0.011 0.000 2.414 611 E HA 0.002 4.352 4.350 -0.000 0.000 0.263 611 E C -0.291 176.263 176.600 -0.075 0.000 1.000 611 E CA 0.065 56.440 56.400 -0.042 0.000 0.914 611 E CB 0.305 29.995 29.700 -0.016 0.000 0.948 611 E HN 0.595 nan 8.360 nan 0.000 0.444 612 Q N 4.844 124.570 119.800 -0.124 0.000 2.271 612 Q HA 0.116 4.456 4.340 -0.000 0.000 0.273 612 Q C -1.871 174.107 176.000 -0.036 0.000 1.051 612 Q CA -1.441 54.253 55.803 -0.182 0.000 0.901 612 Q CB 0.643 29.287 28.738 -0.157 0.000 1.174 612 Q HN 0.412 nan 8.270 nan 0.000 0.385 613 P HA 0.044 nan 4.420 nan 0.000 0.274 613 P C -0.725 176.516 177.300 -0.099 0.000 1.231 613 P CA -0.281 62.790 63.100 -0.048 0.000 0.790 613 P CB 0.767 32.426 31.700 -0.068 0.000 0.951 614 K N 2.899 123.243 120.400 -0.092 0.000 2.484 614 K HA 0.104 4.424 4.320 -0.000 0.000 0.280 614 K C -1.966 174.400 176.600 -0.390 0.000 1.013 614 K CA -1.128 54.962 56.287 -0.328 0.000 1.029 614 K CB -0.465 31.947 32.500 -0.148 0.000 0.902 614 K HN 0.311 nan 8.250 nan 0.000 0.481 615 P HA -0.039 nan 4.420 nan 0.000 0.265 615 P C -0.898 176.257 177.300 -0.241 0.000 1.193 615 P CA -0.007 62.871 63.100 -0.369 0.000 0.765 615 P CB 0.363 31.812 31.700 -0.419 0.000 0.823 616 N N 4.006 122.617 118.700 -0.147 0.000 2.663 616 N HA 0.241 4.981 4.740 -0.000 0.000 0.250 616 N C -0.651 174.819 175.510 -0.067 0.000 1.129 616 N CA -0.120 52.880 53.050 -0.083 0.000 0.995 616 N CB -0.645 37.817 38.487 -0.041 0.000 1.324 616 N HN 0.336 nan 8.380 nan 0.000 0.512 617 M N 0.946 120.498 119.600 -0.081 0.000 2.575 617 M HA 0.552 5.032 4.480 -0.000 0.000 0.284 617 M C -1.531 174.776 176.300 0.010 0.000 1.253 617 M CA -1.142 54.101 55.300 -0.095 0.000 0.861 617 M CB 2.176 34.635 32.600 -0.234 0.000 1.733 617 M HN 0.107 nan 8.290 nan 0.000 0.462 618 Y N -1.459 118.810 120.300 -0.050 0.000 2.576 618 Y HA 0.910 5.460 4.550 -0.000 0.000 0.346 618 Y C -0.850 175.037 175.900 -0.021 0.000 1.018 618 Y CA -0.778 57.302 58.100 -0.034 0.000 1.050 618 Y CB 1.332 39.790 38.460 -0.004 0.000 1.280 618 Y HN 0.904 nan 8.280 nan 0.000 0.474 619 T N 0.139 114.750 114.554 0.096 0.000 2.888 619 T HA 0.684 5.034 4.350 -0.000 0.000 0.284 619 T C -2.434 172.380 174.700 0.189 0.000 1.017 619 T CA -1.897 60.226 62.100 0.039 0.000 1.022 619 T CB 1.263 70.147 68.868 0.027 0.000 1.013 619 T HN 0.591 nan 8.240 nan 0.000 0.465 620 P HA 0.000 nan 4.420 nan 0.000 0.216 620 P CA 0.000 63.199 63.100 0.165 0.000 0.800 620 P CB 0.000 31.764 31.700 0.107 0.000 0.726