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 3ph7_1_A DATA FIRST_RESID 35 DATA SEQUENCE AFFRNMYDKY RDAFLSHLNE YSLEEEIKEH ISKYYKLLFD YNCLGGKNNR DATA SEQUENCE GILVILIYEY VKNRDINSSE WEKAACLAWC IEILQAAFLV ADDIMDKGEM DATA SEQUENCE RRNKYCWYLL KDVETKNAVN DVLLLYNSIY KLIEIYLRNE SCYVDVIATF DATA SEQUENCE RDATLKTIIG QHLDTNIFSD KYSDXXXEID VNNINVPEQP VIDINMINFG DATA SEQUENCE VYKNIVIHKT AYYSFFLPIV CGMLLAGIAV DNLIYKKIED ISMLMGEYFQ DATA SEQUENCE IHDDYLDIFX XXXXXXXXXS DIQNNKLTWP LIKTFELCSE PDKIKIVKNY DATA SEQUENCE GKNNLACVKV IDSLYEQYKI RKHYESYEKA QKAKILSAIN ELHHEGIEYV DATA SEQUENCE LKYLLEILFT 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 35 A HA 0.000 nan 4.320 nan 0.000 0.244 35 A C 0.000 177.761 177.584 0.295 0.000 1.274 35 A CA 0.000 52.150 52.037 0.188 0.000 0.836 35 A CB 0.000 19.081 19.000 0.135 0.000 0.831 36 F N -0.417 119.543 119.950 0.016 0.000 2.605 36 F HA 0.039 4.557 4.527 -0.016 0.000 0.296 36 F C 1.386 177.291 175.800 0.175 0.000 1.146 36 F CA 0.988 59.017 58.000 0.049 0.000 1.478 36 F CB -0.513 38.460 39.000 -0.045 0.000 1.107 36 F HN 0.267 nan 8.300 nan 0.000 0.600 37 F N 2.079 121.906 119.950 -0.205 0.000 2.154 37 F HA -0.193 4.326 4.527 -0.015 0.000 0.301 37 F C 2.272 178.196 175.800 0.207 0.000 1.087 37 F CA 1.544 59.462 58.000 -0.136 0.000 1.274 37 F CB -0.404 38.545 39.000 -0.084 0.000 1.009 37 F HN -0.125 nan 8.300 nan 0.000 0.485 38 R N 0.867 121.361 120.500 -0.010 0.000 2.148 38 R HA -0.078 4.254 4.340 -0.014 0.000 0.227 38 R C 1.636 177.947 176.300 0.018 0.000 1.103 38 R CA 1.087 57.194 56.100 0.013 0.000 0.983 38 R CB -1.061 29.273 30.300 0.057 0.000 0.874 38 R HN 0.405 nan 8.270 nan 0.000 0.451 39 N N -0.105 118.581 118.700 -0.023 0.000 2.409 39 N HA -0.035 4.697 4.740 -0.014 0.000 0.179 39 N C 1.478 176.914 175.510 -0.123 0.000 1.032 39 N CA 0.695 53.719 53.050 -0.045 0.000 0.898 39 N CB 0.022 38.513 38.487 0.007 0.000 0.971 39 N HN 0.095 nan 8.380 nan 0.000 0.441 40 M N -0.430 119.062 119.600 -0.180 0.000 2.506 40 M HA 0.004 4.476 4.480 -0.014 0.000 0.260 40 M C 1.577 177.665 176.300 -0.353 0.000 1.104 40 M CA 0.228 55.379 55.300 -0.248 0.000 1.112 40 M CB -0.896 31.615 32.600 -0.149 0.000 1.401 40 M HN 0.103 nan 8.290 nan 0.000 0.473 41 Y N 2.396 122.354 120.300 -0.571 0.000 2.002 41 Y HA -0.343 4.200 4.550 -0.011 0.000 0.268 41 Y C 1.481 176.974 175.900 -0.679 0.000 1.177 41 Y CA 2.500 59.911 58.100 -1.147 0.000 1.111 41 Y CB -0.686 37.042 38.460 -1.218 0.000 0.952 41 Y HN 0.294 nan 8.280 nan 0.000 0.491 42 D N -0.549 119.475 120.400 -0.627 0.000 2.158 42 D HA -0.226 4.406 4.640 -0.014 0.000 0.197 42 D C 2.319 178.319 176.300 -0.501 0.000 0.995 42 D CA 2.094 55.782 54.000 -0.521 0.000 0.846 42 D CB -0.271 40.395 40.800 -0.224 0.000 0.941 42 D HN 0.218 nan 8.370 nan 0.000 0.456 43 K N -0.364 119.723 120.400 -0.522 0.000 2.026 43 K HA -0.159 4.153 4.320 -0.014 0.000 0.208 43 K C 2.004 178.301 176.600 -0.505 0.000 1.048 43 K CA 0.989 56.970 56.287 -0.509 0.000 0.929 43 K CB -0.893 31.237 32.500 -0.617 0.000 0.713 43 K HN 0.364 nan 8.250 nan 0.000 0.439 44 Y N 0.641 120.738 120.300 -0.340 0.000 2.242 44 Y HA 0.125 4.666 4.550 -0.015 0.000 0.291 44 Y C 2.621 178.295 175.900 -0.377 0.000 1.137 44 Y CA 1.620 59.551 58.100 -0.282 0.000 1.181 44 Y CB -0.601 37.661 38.460 -0.330 0.000 0.989 44 Y HN 0.179 nan 8.280 nan 0.000 0.527 45 R N 0.675 120.842 120.500 -0.554 0.000 2.070 45 R HA -0.174 4.157 4.340 -0.014 0.000 0.233 45 R C 1.441 177.489 176.300 -0.420 0.000 1.137 45 R CA 2.152 57.842 56.100 -0.684 0.000 0.945 45 R CB -0.325 29.416 30.300 -0.932 0.000 0.845 45 R HN 0.258 nan 8.270 nan 0.000 0.430 46 D N 0.394 120.597 120.400 -0.329 0.000 2.178 46 D HA -0.111 4.521 4.640 -0.014 0.000 0.201 46 D C 1.754 177.965 176.300 -0.148 0.000 0.980 46 D CA 1.313 55.186 54.000 -0.212 0.000 0.842 46 D CB -0.283 40.407 40.800 -0.184 0.000 0.948 46 D HN 0.398 nan 8.370 nan 0.000 0.472 47 A N 0.546 123.309 122.820 -0.096 0.000 1.908 47 A HA -0.200 4.111 4.320 -0.014 0.000 0.218 47 A C 2.087 179.671 177.584 0.000 0.000 1.181 47 A CA 1.166 53.198 52.037 -0.008 0.000 0.627 47 A CB -0.926 18.167 19.000 0.155 0.000 0.818 47 A HN 0.264 nan 8.150 nan 0.000 0.445 48 F N 0.326 120.193 119.950 -0.139 0.000 2.128 48 F HA -0.007 4.513 4.527 -0.012 0.000 0.295 48 F C 1.902 177.620 175.800 -0.137 0.000 1.100 48 F CA 1.381 59.297 58.000 -0.139 0.000 1.260 48 F CB -0.326 38.534 39.000 -0.234 0.000 1.009 48 F HN 0.117 nan 8.300 nan 0.000 0.476 49 L N -0.473 120.581 121.223 -0.282 0.000 2.079 49 L HA -0.257 4.074 4.340 -0.014 0.000 0.210 49 L C 2.767 179.453 176.870 -0.306 0.000 1.081 49 L CA 1.606 56.265 54.840 -0.302 0.000 0.752 49 L CB -1.048 40.916 42.059 -0.157 0.000 0.896 49 L HN 0.276 nan 8.230 nan 0.000 0.433 50 S N -0.820 114.747 115.700 -0.223 0.000 2.382 50 S HA -0.290 4.172 4.470 -0.014 0.000 0.228 50 S C 2.055 176.525 174.600 -0.218 0.000 1.027 50 S CA 1.653 59.745 58.200 -0.179 0.000 0.991 50 S CB -0.284 62.845 63.200 -0.118 0.000 0.823 50 S HN 0.648 nan 8.310 nan 0.000 0.469 51 H N 1.170 120.033 119.070 -0.345 0.000 2.321 51 H HA 0.043 4.587 4.556 -0.020 0.000 0.300 51 H C 1.878 176.892 175.328 -0.523 0.000 1.087 51 H CA 2.186 58.023 56.048 -0.352 0.000 1.319 51 H CB -0.533 29.019 29.762 -0.350 0.000 1.379 51 H HN 0.408 nan 8.280 nan 0.000 0.501 52 L N 0.169 120.807 121.223 -0.974 0.000 2.131 52 L HA -0.158 4.174 4.340 -0.014 0.000 0.210 52 L C 2.492 178.852 176.870 -0.850 0.000 1.092 52 L CA 1.327 55.390 54.840 -1.295 0.000 0.759 52 L CB -0.560 40.968 42.059 -0.885 0.000 0.903 52 L HN 0.491 nan 8.230 nan 0.000 0.435 53 N N 0.009 118.426 118.700 -0.471 0.000 2.453 53 N HA -0.149 4.583 4.740 -0.014 0.000 0.183 53 N C 1.352 176.756 175.510 -0.176 0.000 1.041 53 N CA 0.992 53.894 53.050 -0.248 0.000 0.900 53 N CB 0.323 38.705 38.487 -0.175 0.000 0.961 53 N HN 0.285 nan 8.380 nan 0.000 0.443 54 E N -0.362 119.713 120.200 -0.209 0.000 2.481 54 E HA -0.019 4.322 4.350 -0.014 0.000 0.195 54 E C -0.176 176.452 176.600 0.046 0.000 1.047 54 E CA -0.030 56.322 56.400 -0.080 0.000 0.867 54 E CB -0.262 29.392 29.700 -0.077 0.000 0.858 54 E HN 0.313 nan 8.360 nan 0.000 0.513 55 Y N 1.253 121.448 120.300 -0.175 0.000 2.578 55 Y HA 0.156 4.695 4.550 -0.019 0.000 0.339 55 Y C 1.167 177.021 175.900 -0.077 0.000 1.231 55 Y CA -1.227 56.794 58.100 -0.131 0.000 1.461 55 Y CB 0.321 38.702 38.460 -0.131 0.000 1.323 55 Y HN -0.077 nan 8.280 nan 0.000 0.590 56 S N 4.608 120.350 115.700 0.069 0.000 3.517 56 S HA 0.401 4.863 4.470 -0.014 0.000 0.284 56 S C -0.216 174.407 174.600 0.039 0.000 1.260 56 S CA -0.323 57.894 58.200 0.028 0.000 0.975 56 S CB -0.876 62.319 63.200 -0.009 0.000 1.540 56 S HN 0.363 nan 8.310 nan 0.000 0.506 57 L N 1.461 122.715 121.223 0.052 0.000 2.393 57 L HA 0.444 4.775 4.340 -0.014 0.000 0.260 57 L C 0.183 177.074 176.870 0.035 0.000 1.002 57 L CA -0.940 53.932 54.840 0.053 0.000 0.818 57 L CB 1.809 43.918 42.059 0.083 0.000 1.369 57 L HN 0.311 nan 8.230 nan 0.000 0.412 58 E N 1.376 121.596 120.200 0.034 0.000 2.414 58 E HA -0.060 4.282 4.350 -0.014 0.000 0.263 58 E C 0.312 176.924 176.600 0.020 0.000 1.000 58 E CA -0.158 56.257 56.400 0.025 0.000 0.914 58 E CB 0.878 30.595 29.700 0.030 0.000 0.948 58 E HN 0.434 nan 8.360 nan 0.000 0.444 59 E N 2.788 122.991 120.200 0.004 0.000 2.147 59 E HA -0.284 4.057 4.350 -0.014 0.000 0.199 59 E C 1.580 178.162 176.600 -0.030 0.000 1.005 59 E CA 1.395 57.788 56.400 -0.012 0.000 0.810 59 E CB 0.089 29.778 29.700 -0.018 0.000 0.736 59 E HN 0.593 nan 8.360 nan 0.000 0.460 60 E N -0.155 120.027 120.200 -0.029 0.000 2.106 60 E HA -0.130 4.212 4.350 -0.014 0.000 0.192 60 E C 2.341 178.900 176.600 -0.069 0.000 0.984 60 E CA 0.600 56.951 56.400 -0.082 0.000 0.806 60 E CB -0.046 29.638 29.700 -0.027 0.000 0.750 60 E HN 0.266 nan 8.360 nan 0.000 0.458 61 I N 0.895 121.508 120.570 0.071 0.000 2.226 61 I HA -0.281 3.880 4.170 -0.014 0.000 0.245 61 I C 2.470 178.655 176.117 0.113 0.000 1.100 61 I CA 1.103 62.501 61.300 0.162 0.000 1.374 61 I CB -0.186 37.888 38.000 0.122 0.000 1.057 61 I HN 0.041 nan 8.210 nan 0.000 0.413 62 K N 0.708 121.137 120.400 0.048 0.000 2.063 62 K HA -0.229 4.082 4.320 -0.014 0.000 0.208 62 K C 1.968 178.579 176.600 0.019 0.000 1.048 62 K CA 1.700 58.003 56.287 0.027 0.000 0.928 62 K CB -0.154 32.342 32.500 -0.006 0.000 0.713 62 K HN 0.414 nan 8.250 nan 0.000 0.442 63 E N -0.490 119.686 120.200 -0.040 0.000 2.072 63 E HA -0.167 4.175 4.350 -0.014 0.000 0.191 63 E C 1.917 178.502 176.600 -0.025 0.000 0.985 63 E CA 1.155 57.512 56.400 -0.073 0.000 0.801 63 E CB -0.124 29.480 29.700 -0.160 0.000 0.750 63 E HN 0.482 nan 8.360 nan 0.000 0.452 64 H N 0.338 119.443 119.070 0.057 0.000 2.357 64 H HA -0.058 4.490 4.556 -0.014 0.000 0.301 64 H C 2.158 177.551 175.328 0.109 0.000 1.082 64 H CA 1.130 57.220 56.048 0.069 0.000 1.342 64 H CB 0.061 29.850 29.762 0.045 0.000 1.389 64 H HN 0.069 nan 8.280 nan 0.000 0.511 65 I N 0.394 121.116 120.570 0.255 0.000 2.127 65 I HA -0.318 3.844 4.170 -0.014 0.000 0.241 65 I C 2.624 178.945 176.117 0.340 0.000 1.075 65 I CA 1.602 63.083 61.300 0.301 0.000 1.334 65 I CB -0.268 37.892 38.000 0.267 0.000 1.040 65 I HN 0.377 nan 8.210 nan 0.000 0.405 66 S N 1.139 116.962 115.700 0.205 0.000 2.382 66 S HA -0.208 4.254 4.470 -0.014 0.000 0.228 66 S C 2.329 177.032 174.600 0.172 0.000 1.027 66 S CA 1.459 59.758 58.200 0.164 0.000 0.991 66 S CB -0.619 62.619 63.200 0.063 0.000 0.823 66 S HN 0.425 nan 8.310 nan 0.000 0.469 67 K N 0.828 121.323 120.400 0.159 0.000 2.025 67 K HA -0.014 4.298 4.320 -0.014 0.000 0.207 67 K C 1.947 178.644 176.600 0.161 0.000 1.049 67 K CA 1.453 57.826 56.287 0.143 0.000 0.933 67 K CB -1.723 30.862 32.500 0.141 0.000 0.714 67 K HN 0.647 nan 8.250 nan 0.000 0.438 68 Y N -0.340 119.995 120.300 0.057 0.000 2.133 68 Y HA -0.162 4.379 4.550 -0.015 0.000 0.287 68 Y C 2.315 178.201 175.900 -0.023 0.000 1.134 68 Y CA 1.910 59.987 58.100 -0.038 0.000 1.133 68 Y CB -0.091 38.231 38.460 -0.230 0.000 0.987 68 Y HN 0.335 nan 8.280 nan 0.000 0.502 69 Y N 0.447 120.964 120.300 0.361 0.000 2.439 69 Y HA -0.102 4.440 4.550 -0.013 0.000 0.292 69 Y C 2.459 178.548 175.900 0.316 0.000 1.130 69 Y CA 1.398 59.712 58.100 0.356 0.000 1.254 69 Y CB -0.473 38.248 38.460 0.436 0.000 1.000 69 Y HN 0.115 nan 8.280 nan 0.000 0.554 70 K N 0.191 120.770 120.400 0.299 0.000 2.057 70 K HA -0.179 4.133 4.320 -0.014 0.000 0.206 70 K C 2.008 178.723 176.600 0.190 0.000 1.050 70 K CA 1.181 57.595 56.287 0.213 0.000 0.935 70 K CB -0.368 32.206 32.500 0.123 0.000 0.715 70 K HN 0.263 nan 8.250 nan 0.000 0.439 71 L N 1.369 122.654 121.223 0.104 0.000 2.093 71 L HA -0.091 4.241 4.340 -0.014 0.000 0.208 71 L C 2.056 178.876 176.870 -0.084 0.000 1.085 71 L CA 1.207 56.087 54.840 0.067 0.000 0.755 71 L CB -0.574 41.527 42.059 0.069 0.000 0.904 71 L HN 0.275 nan 8.230 nan 0.000 0.435 72 L N -1.061 120.010 121.223 -0.253 0.000 2.012 72 L HA -0.212 4.119 4.340 -0.014 0.000 0.210 72 L C 2.222 178.847 176.870 -0.408 0.000 1.073 72 L CA 1.991 56.439 54.840 -0.653 0.000 0.748 72 L CB -0.837 41.006 42.059 -0.359 0.000 0.891 72 L HN 0.219 nan 8.230 nan 0.000 0.431 73 F N 0.261 120.167 119.950 -0.073 0.000 2.051 73 F HA -0.221 4.300 4.527 -0.011 0.000 0.296 73 F C 2.380 178.229 175.800 0.082 0.000 1.122 73 F CA 1.879 59.900 58.000 0.036 0.000 1.201 73 F CB -0.755 38.303 39.000 0.096 0.000 0.978 73 F HN 0.158 nan 8.300 nan 0.000 0.472 74 D N -0.986 119.592 120.400 0.296 0.000 2.116 74 D HA -0.265 4.367 4.640 -0.014 0.000 0.193 74 D C 2.004 178.341 176.300 0.061 0.000 0.998 74 D CA 1.543 55.642 54.000 0.164 0.000 0.836 74 D CB -0.900 39.996 40.800 0.159 0.000 0.951 74 D HN 0.312 nan 8.370 nan 0.000 0.449 75 Y N 1.127 121.389 120.300 -0.063 0.000 2.224 75 Y HA -0.122 4.419 4.550 -0.015 0.000 0.289 75 Y C 1.710 177.561 175.900 -0.081 0.000 1.146 75 Y CA 1.358 59.424 58.100 -0.055 0.000 1.182 75 Y CB 0.196 38.635 38.460 -0.034 0.000 0.983 75 Y HN -0.027 nan 8.280 nan 0.000 0.524 76 N N -2.256 116.432 118.700 -0.020 0.000 2.294 76 N HA 0.001 4.733 4.740 -0.014 0.000 0.186 76 N C 1.193 176.697 175.510 -0.010 0.000 1.107 76 N CA 0.859 53.880 53.050 -0.048 0.000 0.884 76 N CB -0.003 38.386 38.487 -0.163 0.000 1.030 76 N HN 0.305 nan 8.380 nan 0.000 0.482 77 C N 0.715 120.033 119.300 0.030 0.000 2.590 77 C HA 0.351 4.802 4.460 -0.014 0.000 0.272 77 C C 1.032 176.076 174.990 0.091 0.000 1.338 77 C CA -0.351 58.756 59.018 0.148 0.000 1.746 77 C CB -0.493 27.455 27.740 0.347 0.000 2.020 77 C HN 0.163 nan 8.230 nan 0.000 0.531 78 L N 0.800 121.973 121.223 -0.084 0.000 2.307 78 L HA 0.662 4.993 4.340 -0.014 0.000 0.284 78 L C 1.011 177.832 176.870 -0.082 0.000 1.023 78 L CA 0.623 55.385 54.840 -0.130 0.000 0.810 78 L CB 1.074 42.960 42.059 -0.288 0.000 1.231 78 L HN 0.365 nan 8.230 nan 0.000 0.423 79 G N 1.697 110.476 108.800 -0.036 0.000 2.367 79 G HA2 -0.127 3.825 3.960 -0.014 0.000 0.181 79 G HA3 -0.127 3.825 3.960 -0.014 0.000 0.181 79 G C 0.332 175.236 174.900 0.008 0.000 1.000 79 G CA -0.341 44.740 45.100 -0.033 0.000 0.693 79 G HN 0.952 nan 8.290 nan 0.000 0.480 80 G N -0.134 108.688 108.800 0.036 0.000 2.557 80 G HA2 0.522 4.474 3.960 -0.014 0.000 0.292 80 G HA3 0.522 4.474 3.960 -0.014 0.000 0.292 80 G C 0.812 175.749 174.900 0.062 0.000 1.237 80 G CA 0.177 45.312 45.100 0.059 0.000 0.978 80 G HN 0.237 nan 8.290 nan 0.000 0.498 81 K N -0.455 119.987 120.400 0.071 0.000 2.283 81 K HA -0.048 4.264 4.320 -0.014 0.000 0.202 81 K C 0.572 177.196 176.600 0.041 0.000 1.048 81 K CA 0.926 57.251 56.287 0.064 0.000 0.948 81 K CB -0.142 32.407 32.500 0.082 0.000 0.742 81 K HN 0.658 nan 8.250 nan 0.000 0.458 82 N N 0.361 119.077 118.700 0.027 0.000 2.747 82 N HA -0.189 4.543 4.740 -0.014 0.000 0.249 82 N C 0.138 175.580 175.510 -0.114 0.000 1.107 82 N CA 0.208 53.255 53.050 -0.005 0.000 0.707 82 N CB -0.921 37.648 38.487 0.137 0.000 1.054 82 N HN 0.235 nan 8.380 nan 0.000 0.555 83 N N 0.677 119.303 118.700 -0.123 0.000 2.104 83 N HA -0.111 4.620 4.740 -0.014 0.000 0.190 83 N C 1.679 177.020 175.510 -0.282 0.000 1.024 83 N CA 1.352 54.287 53.050 -0.192 0.000 0.853 83 N CB -0.077 38.299 38.487 -0.185 0.000 1.008 83 N HN 0.519 nan 8.380 nan 0.000 0.424 84 R N -0.001 120.313 120.500 -0.310 0.000 2.075 84 R HA 0.001 4.332 4.340 -0.014 0.000 0.232 84 R C 2.398 178.504 176.300 -0.324 0.000 1.126 84 R CA 1.287 57.182 56.100 -0.341 0.000 0.963 84 R CB -0.603 29.515 30.300 -0.304 0.000 0.858 84 R HN 0.226 nan 8.270 nan 0.000 0.435 85 G N 0.739 109.314 108.800 -0.375 0.000 2.421 85 G HA2 -0.234 3.717 3.960 -0.014 0.000 0.216 85 G HA3 -0.234 3.717 3.960 -0.014 0.000 0.216 85 G C 1.555 175.934 174.900 -0.867 0.000 1.171 85 G CA 0.764 45.471 45.100 -0.653 0.000 0.775 85 G HN 0.129 nan 8.290 nan 0.000 0.543 86 I N 0.444 120.579 120.570 -0.726 0.000 2.286 86 I HA -0.053 4.108 4.170 -0.014 0.000 0.248 86 I C 2.692 178.657 176.117 -0.253 0.000 1.115 86 I CA 0.958 61.971 61.300 -0.479 0.000 1.392 86 I CB -0.680 37.162 38.000 -0.263 0.000 1.065 86 I HN 0.301 nan 8.210 nan 0.000 0.418 87 L N 0.364 121.445 121.223 -0.238 0.000 2.131 87 L HA -0.114 4.217 4.340 -0.014 0.000 0.210 87 L C 2.441 179.245 176.870 -0.110 0.000 1.092 87 L CA 1.898 56.644 54.840 -0.157 0.000 0.759 87 L CB -0.639 41.305 42.059 -0.192 0.000 0.903 87 L HN 0.176 nan 8.230 nan 0.000 0.435 88 V N -0.458 119.364 119.914 -0.152 0.000 2.244 88 V HA -0.296 3.816 4.120 -0.014 0.000 0.244 88 V C 2.452 178.575 176.094 0.049 0.000 1.042 88 V CA 2.110 64.362 62.300 -0.079 0.000 1.006 88 V CB -0.501 31.247 31.823 -0.125 0.000 0.641 88 V HN 0.349 nan 8.190 nan 0.000 0.446 89 I N -0.280 120.312 120.570 0.037 0.000 2.118 89 I HA -0.296 3.866 4.170 -0.014 0.000 0.241 89 I C 2.320 178.661 176.117 0.372 0.000 1.070 89 I CA 1.847 63.308 61.300 0.270 0.000 1.327 89 I CB -0.408 37.662 38.000 0.116 0.000 1.034 89 I HN 0.217 nan 8.210 nan 0.000 0.405 90 L N -0.422 120.938 121.223 0.228 0.000 2.056 90 L HA -0.208 4.124 4.340 -0.014 0.000 0.207 90 L C 2.498 179.560 176.870 0.320 0.000 1.078 90 L CA 1.394 56.411 54.840 0.297 0.000 0.749 90 L CB -0.490 41.653 42.059 0.140 0.000 0.901 90 L HN 0.217 nan 8.230 nan 0.000 0.433 91 I N -1.460 119.217 120.570 0.178 0.000 2.252 91 I HA -0.321 3.841 4.170 -0.014 0.000 0.245 91 I C 2.497 178.725 176.117 0.184 0.000 1.102 91 I CA 1.201 62.581 61.300 0.133 0.000 1.385 91 I CB -0.277 37.739 38.000 0.026 0.000 1.064 91 I HN 0.141 nan 8.210 nan 0.000 0.414 92 Y N 1.442 121.789 120.300 0.078 0.000 2.128 92 Y HA -0.304 4.238 4.550 -0.013 0.000 0.284 92 Y C 2.529 178.424 175.900 -0.009 0.000 1.154 92 Y CA 2.068 60.174 58.100 0.010 0.000 1.149 92 Y CB -0.304 38.143 38.460 -0.023 0.000 0.976 92 Y HN 0.218 nan 8.280 nan 0.000 0.505 93 E N -1.200 119.052 120.200 0.087 0.000 2.047 93 E HA -0.239 4.103 4.350 -0.014 0.000 0.191 93 E C 1.321 177.828 176.600 -0.154 0.000 0.987 93 E CA 1.390 57.788 56.400 -0.004 0.000 0.799 93 E CB -0.401 29.490 29.700 0.318 0.000 0.752 93 E HN 0.631 nan 8.360 nan 0.000 0.449 94 Y N -0.339 119.995 120.300 0.057 0.000 2.471 94 Y HA -0.005 4.536 4.550 -0.014 0.000 0.286 94 Y C 1.626 177.585 175.900 0.098 0.000 1.188 94 Y CA 0.018 58.169 58.100 0.084 0.000 1.286 94 Y CB 0.642 39.197 38.460 0.158 0.000 1.072 94 Y HN 0.082 nan 8.280 nan 0.000 0.517 95 V N -3.950 116.026 119.914 0.102 0.000 2.908 95 V HA 0.270 4.382 4.120 -0.014 0.000 0.240 95 V C 1.460 177.545 176.094 -0.016 0.000 1.117 95 V CA 0.648 63.017 62.300 0.115 0.000 1.133 95 V CB -0.829 31.015 31.823 0.034 0.000 0.857 95 V HN -0.001 nan 8.190 nan 0.000 0.478 96 K N 1.586 121.874 120.400 -0.187 0.000 3.216 96 K HA 0.435 4.746 4.320 -0.014 0.000 0.277 96 K C 0.577 177.043 176.600 -0.224 0.000 1.246 96 K CA 0.463 56.592 56.287 -0.265 0.000 1.227 96 K CB -2.172 30.008 32.500 -0.533 0.000 1.487 96 K HN 0.905 nan 8.250 nan 0.000 0.341 97 N N 1.033 119.647 118.700 -0.143 0.000 2.736 97 N HA 0.442 5.173 4.740 -0.014 0.000 0.307 97 N C 0.505 175.941 175.510 -0.123 0.000 1.212 97 N CA 0.792 53.758 53.050 -0.140 0.000 1.158 97 N CB -0.633 37.794 38.487 -0.100 0.000 1.460 97 N HN 1.172 nan 8.380 nan 0.000 0.514 98 R N -1.400 119.017 120.500 -0.139 0.000 2.835 98 R HA 0.789 5.120 4.340 -0.014 0.000 0.271 98 R C -0.340 175.893 176.300 -0.113 0.000 1.013 98 R CA 0.035 56.068 56.100 -0.112 0.000 0.876 98 R CB -0.510 29.727 30.300 -0.106 0.000 1.348 98 R HN 0.989 nan 8.270 nan 0.000 0.453 99 D N 0.072 120.422 120.400 -0.082 0.000 2.389 99 D HA 0.519 5.150 4.640 -0.014 0.000 0.247 99 D C -0.175 176.072 176.300 -0.088 0.000 1.128 99 D CA 0.533 54.499 54.000 -0.056 0.000 0.884 99 D CB 0.739 41.521 40.800 -0.030 0.000 1.194 99 D HN 0.974 nan 8.370 nan 0.000 0.441 100 I N 2.406 122.937 120.570 -0.065 0.000 2.411 100 I HA 0.376 4.537 4.170 -0.014 0.000 0.284 100 I C 0.124 176.245 176.117 0.007 0.000 1.012 100 I CA -1.621 59.577 61.300 -0.169 0.000 1.119 100 I CB 0.120 37.807 38.000 -0.521 0.000 1.261 100 I HN 0.754 nan 8.210 nan 0.000 0.448 101 N N 2.783 121.488 118.700 0.008 0.000 2.445 101 N HA 0.227 4.959 4.740 -0.014 0.000 0.264 101 N C 1.159 176.795 175.510 0.210 0.000 1.227 101 N CA -0.077 53.035 53.050 0.104 0.000 0.963 101 N CB 0.568 39.095 38.487 0.066 0.000 1.188 101 N HN 0.451 nan 8.380 nan 0.000 0.491 102 S N -0.156 115.677 115.700 0.221 0.000 2.380 102 S HA -0.310 4.151 4.470 -0.014 0.000 0.229 102 S C 1.821 176.590 174.600 0.282 0.000 1.043 102 S CA 1.410 59.763 58.200 0.255 0.000 1.038 102 S CB -0.901 62.394 63.200 0.159 0.000 0.872 102 S HN 0.763 nan 8.310 nan 0.000 0.456 103 S N 1.740 117.557 115.700 0.196 0.000 2.383 103 S HA -0.151 4.310 4.470 -0.014 0.000 0.227 103 S C 1.826 176.532 174.600 0.178 0.000 1.026 103 S CA 1.162 59.470 58.200 0.180 0.000 0.981 103 S CB -0.421 62.854 63.200 0.125 0.000 0.818 103 S HN 0.626 nan 8.310 nan 0.000 0.472 104 E N -0.474 119.803 120.200 0.129 0.000 2.106 104 E HA -0.116 4.226 4.350 -0.014 0.000 0.192 104 E C 1.706 178.341 176.600 0.059 0.000 0.984 104 E CA 1.211 57.650 56.400 0.064 0.000 0.806 104 E CB -0.251 29.454 29.700 0.008 0.000 0.750 104 E HN 0.737 nan 8.360 nan 0.000 0.458 105 W N 1.602 123.035 121.300 0.221 0.000 2.436 105 W HA -0.092 4.558 4.660 -0.016 0.000 0.284 105 W C 2.319 179.036 176.519 0.330 0.000 1.225 105 W CA 0.454 57.970 57.345 0.285 0.000 1.271 105 W CB 0.169 29.771 29.460 0.237 0.000 1.114 105 W HN 0.126 nan 8.180 nan 0.000 0.559 106 E N 0.966 121.474 120.200 0.513 0.000 2.110 106 E HA -0.232 4.110 4.350 -0.014 0.000 0.193 106 E C 1.780 178.512 176.600 0.221 0.000 0.988 106 E CA 1.266 57.901 56.400 0.393 0.000 0.804 106 E CB 0.006 29.897 29.700 0.318 0.000 0.745 106 E HN 0.282 nan 8.360 nan 0.000 0.458 107 K N -0.081 120.403 120.400 0.140 0.000 2.062 107 K HA -0.025 4.287 4.320 -0.014 0.000 0.205 107 K C 2.142 178.687 176.600 -0.091 0.000 1.051 107 K CA 0.872 57.175 56.287 0.026 0.000 0.941 107 K CB -0.035 32.476 32.500 0.017 0.000 0.719 107 K HN 0.073 nan 8.250 nan 0.000 0.440 108 A N 1.587 124.322 122.820 -0.142 0.000 1.873 108 A HA -0.074 4.238 4.320 -0.014 0.000 0.215 108 A C 2.353 179.944 177.584 0.013 0.000 1.186 108 A CA 1.781 53.693 52.037 -0.209 0.000 0.616 108 A CB -0.653 18.131 19.000 -0.360 0.000 0.823 108 A HN 0.310 nan 8.150 nan 0.000 0.442 109 A N -1.309 121.623 122.820 0.188 0.000 2.066 109 A HA -0.099 4.213 4.320 -0.014 0.000 0.218 109 A C 2.269 179.763 177.584 -0.151 0.000 1.157 109 A CA 1.418 53.582 52.037 0.212 0.000 0.670 109 A CB -1.258 17.970 19.000 0.380 0.000 0.804 109 A HN 0.767 nan 8.150 nan 0.000 0.453 110 C N -0.353 118.647 119.300 -0.500 0.000 2.436 110 C HA -0.046 4.405 4.460 -0.014 0.000 0.277 110 C C 2.548 177.317 174.990 -0.368 0.000 1.241 110 C CA 1.247 59.711 59.018 -0.923 0.000 1.721 110 C CB -1.419 25.923 27.740 -0.662 0.000 2.043 110 C HN 0.592 nan 8.230 nan 0.000 0.472 111 L N 1.217 122.338 121.223 -0.171 0.000 2.083 111 L HA -0.092 4.239 4.340 -0.014 0.000 0.209 111 L C 3.033 179.915 176.870 0.021 0.000 1.083 111 L CA 1.675 56.504 54.840 -0.019 0.000 0.752 111 L CB -0.974 41.100 42.059 0.025 0.000 0.899 111 L HN 0.510 nan 8.230 nan 0.000 0.433 112 A N -0.539 122.247 122.820 -0.056 0.000 1.873 112 A HA -0.220 4.092 4.320 -0.014 0.000 0.215 112 A C 1.934 179.492 177.584 -0.043 0.000 1.186 112 A CA 1.328 53.288 52.037 -0.129 0.000 0.616 112 A CB -0.885 17.961 19.000 -0.257 0.000 0.823 112 A HN 0.495 nan 8.150 nan 0.000 0.442 113 W N -0.743 120.634 121.300 0.129 0.000 2.436 113 W HA -0.122 4.530 4.660 -0.014 0.000 0.284 113 W C 2.535 179.068 176.519 0.023 0.000 1.225 113 W CA 0.843 58.251 57.345 0.103 0.000 1.271 113 W CB -0.452 28.973 29.460 -0.059 0.000 1.114 113 W HN 0.355 nan 8.180 nan 0.000 0.559 114 C N -0.133 119.237 119.300 0.118 0.000 2.413 114 C HA -0.200 4.251 4.460 -0.014 0.000 0.277 114 C C 2.434 177.516 174.990 0.154 0.000 1.265 114 C CA 0.826 59.847 59.018 0.005 0.000 1.752 114 C CB -1.367 26.223 27.740 -0.250 0.000 1.998 114 C HN 0.292 nan 8.230 nan 0.000 0.489 115 I N 0.410 121.113 120.570 0.222 0.000 2.546 115 I HA -0.100 4.062 4.170 -0.014 0.000 0.255 115 I C 2.422 178.611 176.117 0.121 0.000 1.163 115 I CA 1.079 62.489 61.300 0.184 0.000 1.457 115 I CB -0.535 37.492 38.000 0.044 0.000 1.092 115 I HN 0.344 nan 8.210 nan 0.000 0.434 116 E N 0.913 121.189 120.200 0.126 0.000 2.158 116 E HA -0.034 4.308 4.350 -0.014 0.000 0.191 116 E C 2.305 179.024 176.600 0.198 0.000 0.982 116 E CA 0.940 57.434 56.400 0.155 0.000 0.823 116 E CB 0.075 29.851 29.700 0.126 0.000 0.766 116 E HN 0.525 nan 8.360 nan 0.000 0.468 117 I N 0.756 121.448 120.570 0.203 0.000 2.315 117 I HA -0.234 3.928 4.170 -0.014 0.000 0.248 117 I C 2.417 178.510 176.117 -0.041 0.000 1.117 117 I CA 0.414 61.773 61.300 0.099 0.000 1.404 117 I CB -0.099 37.962 38.000 0.101 0.000 1.071 117 I HN 0.066 nan 8.210 nan 0.000 0.419 118 L N 0.821 122.010 121.223 -0.056 0.000 2.017 118 L HA -0.245 4.086 4.340 -0.014 0.000 0.208 118 L C 2.534 179.159 176.870 -0.408 0.000 1.073 118 L CA 1.915 56.601 54.840 -0.256 0.000 0.745 118 L CB -0.672 41.306 42.059 -0.135 0.000 0.894 118 L HN 0.199 nan 8.230 nan 0.000 0.432 119 Q N -0.193 119.577 119.800 -0.050 0.000 2.084 119 Q HA -0.167 4.164 4.340 -0.014 0.000 0.202 119 Q C 2.125 178.181 176.000 0.094 0.000 0.978 119 Q CA 2.212 58.105 55.803 0.149 0.000 0.844 119 Q CB -0.486 28.398 28.738 0.244 0.000 0.898 119 Q HN 0.575 nan 8.270 nan 0.000 0.426 120 A N 0.392 123.234 122.820 0.038 0.000 1.908 120 A HA -0.085 4.226 4.320 -0.014 0.000 0.218 120 A C 2.322 179.893 177.584 -0.022 0.000 1.181 120 A CA 2.033 54.077 52.037 0.012 0.000 0.627 120 A CB -1.262 17.720 19.000 -0.029 0.000 0.818 120 A HN 0.575 nan 8.150 nan 0.000 0.445 121 A N -1.298 121.467 122.820 -0.092 0.000 1.930 121 A HA 0.081 4.393 4.320 -0.014 0.000 0.217 121 A C 1.903 179.519 177.584 0.053 0.000 1.175 121 A CA 1.436 53.432 52.037 -0.069 0.000 0.627 121 A CB -0.634 18.299 19.000 -0.110 0.000 0.815 121 A HN 0.417 nan 8.150 nan 0.000 0.443 122 F N -0.217 119.720 119.950 -0.021 0.000 2.146 122 F HA -0.089 4.431 4.527 -0.013 0.000 0.298 122 F C 2.141 177.941 175.800 -0.000 0.000 1.096 122 F CA 0.666 58.629 58.000 -0.062 0.000 1.275 122 F CB -1.070 37.827 39.000 -0.172 0.000 1.008 122 F HN 0.276 nan 8.300 nan 0.000 0.480 123 L N -0.466 120.899 121.223 0.238 0.000 2.012 123 L HA -0.210 4.122 4.340 -0.014 0.000 0.210 123 L C 2.216 179.191 176.870 0.174 0.000 1.073 123 L CA 1.303 56.254 54.840 0.186 0.000 0.748 123 L CB -0.516 41.641 42.059 0.163 0.000 0.891 123 L HN -0.067 nan 8.230 nan 0.000 0.431 124 V N 0.462 120.475 119.914 0.164 0.000 2.295 124 V HA -0.278 3.833 4.120 -0.014 0.000 0.246 124 V C 2.886 179.076 176.094 0.160 0.000 1.049 124 V CA 1.755 64.177 62.300 0.202 0.000 1.024 124 V CB -1.164 30.758 31.823 0.165 0.000 0.648 124 V HN 0.633 nan 8.190 nan 0.000 0.447 125 A N 0.023 122.918 122.820 0.126 0.000 1.877 125 A HA -0.297 4.014 4.320 -0.014 0.000 0.216 125 A C 2.048 179.650 177.584 0.030 0.000 1.186 125 A CA 2.185 54.269 52.037 0.077 0.000 0.620 125 A CB -0.771 18.287 19.000 0.098 0.000 0.822 125 A HN 0.586 nan 8.150 nan 0.000 0.443 126 D N -0.298 120.135 120.400 0.055 0.000 2.149 126 D HA -0.155 4.477 4.640 -0.014 0.000 0.198 126 D C 1.306 177.611 176.300 0.008 0.000 0.990 126 D CA 1.538 55.552 54.000 0.024 0.000 0.839 126 D CB -0.103 40.727 40.800 0.050 0.000 0.948 126 D HN 0.378 nan 8.370 nan 0.000 0.460 127 D N -0.513 119.915 120.400 0.047 0.000 2.149 127 D HA -0.069 4.563 4.640 -0.014 0.000 0.201 127 D C 2.244 178.389 176.300 -0.258 0.000 0.972 127 D CA 0.439 54.476 54.000 0.061 0.000 0.835 127 D CB -0.063 40.901 40.800 0.274 0.000 0.966 127 D HN 0.374 nan 8.370 nan 0.000 0.476 128 I N 0.584 120.909 120.570 -0.408 0.000 2.142 128 I HA -0.267 3.894 4.170 -0.014 0.000 0.240 128 I C 2.608 178.494 176.117 -0.385 0.000 1.078 128 I CA 0.933 61.813 61.300 -0.700 0.000 1.343 128 I CB -0.203 37.603 38.000 -0.324 0.000 1.046 128 I HN -0.063 nan 8.210 nan 0.000 0.405 129 M N -0.033 119.454 119.600 -0.188 0.000 2.065 129 M HA -0.235 4.236 4.480 -0.014 0.000 0.259 129 M C 1.328 177.573 176.300 -0.092 0.000 1.069 129 M CA 1.731 56.964 55.300 -0.111 0.000 1.110 129 M CB -0.477 32.081 32.600 -0.070 0.000 1.328 129 M HN 0.141 nan 8.290 nan 0.000 0.405 130 D N 0.199 120.556 120.400 -0.072 0.000 2.340 130 D HA 0.054 4.686 4.640 -0.014 0.000 0.220 130 D C -0.077 176.217 176.300 -0.011 0.000 1.039 130 D CA 0.325 54.305 54.000 -0.032 0.000 0.866 130 D CB 0.001 40.797 40.800 -0.007 0.000 0.913 130 D HN 0.195 nan 8.370 nan 0.000 0.523 131 K N 0.161 120.533 120.400 -0.047 0.000 3.257 131 K HA -0.145 4.167 4.320 -0.014 0.000 0.270 131 K C 0.633 177.347 176.600 0.190 0.000 0.984 131 K CA 0.314 56.635 56.287 0.057 0.000 0.739 131 K CB -1.311 31.226 32.500 0.062 0.000 1.351 131 K HN 0.236 nan 8.250 nan 0.000 0.463 132 G N 0.442 109.384 108.800 0.236 0.000 2.636 132 G HA2 0.091 4.042 3.960 -0.014 0.000 0.246 132 G HA3 0.091 4.042 3.960 -0.014 0.000 0.246 132 G C 0.520 175.590 174.900 0.285 0.000 1.216 132 G CA -0.305 44.945 45.100 0.249 0.000 0.854 132 G HN 0.464 nan 8.290 nan 0.000 0.572 133 E N -0.652 119.657 120.200 0.182 0.000 2.279 133 E HA 0.153 4.495 4.350 -0.014 0.000 0.199 133 E C 0.338 177.045 176.600 0.178 0.000 0.893 133 E CA 0.192 56.682 56.400 0.149 0.000 0.978 133 E CB 0.319 30.086 29.700 0.111 0.000 0.964 133 E HN 0.273 nan 8.360 nan 0.000 0.486 134 M N 0.615 120.302 119.600 0.144 0.000 2.530 134 M HA 0.527 4.999 4.480 -0.014 0.000 0.307 134 M C -1.010 175.360 176.300 0.117 0.000 1.161 134 M CA -0.672 54.701 55.300 0.122 0.000 0.903 134 M CB 2.306 34.938 32.600 0.053 0.000 1.711 134 M HN -0.109 nan 8.290 nan 0.000 0.451 135 R N 0.804 121.371 120.500 0.112 0.000 2.515 135 R HA 0.497 4.828 4.340 -0.014 0.000 0.278 135 R C -0.913 175.415 176.300 0.047 0.000 1.107 135 R CA -0.262 55.896 56.100 0.098 0.000 0.945 135 R CB 1.111 31.500 30.300 0.148 0.000 1.219 135 R HN 0.698 nan 8.270 nan 0.000 0.434 136 R N 3.805 124.323 120.500 0.029 0.000 3.422 136 R HA -0.304 4.027 4.340 -0.014 0.000 0.267 136 R C -0.463 175.817 176.300 -0.034 0.000 1.074 136 R CA 0.844 56.943 56.100 -0.002 0.000 0.718 136 R CB -1.696 28.593 30.300 -0.018 0.000 1.157 136 R HN 0.988 nan 8.270 nan 0.000 0.440 137 N N -1.050 117.635 118.700 -0.026 0.000 2.800 137 N HA -0.190 4.542 4.740 -0.014 0.000 0.250 137 N C -0.448 175.008 175.510 -0.089 0.000 1.078 137 N CA 2.291 55.311 53.050 -0.050 0.000 0.804 137 N CB -0.331 38.129 38.487 -0.045 0.000 1.135 137 N HN 0.720 nan 8.380 nan 0.000 0.565 138 K N -0.981 119.374 120.400 -0.076 0.000 2.433 138 K HA 0.415 4.727 4.320 -0.014 0.000 0.252 138 K C -0.500 176.130 176.600 0.051 0.000 1.015 138 K CA -0.813 55.425 56.287 -0.082 0.000 0.860 138 K CB 0.987 33.431 32.500 -0.093 0.000 1.359 138 K HN -0.061 nan 8.250 nan 0.000 0.452 139 Y N 0.433 120.829 120.300 0.160 0.000 2.597 139 Y HA -0.046 4.495 4.550 -0.014 0.000 0.336 139 Y C 0.640 176.686 175.900 0.245 0.000 1.216 139 Y CA -0.805 57.382 58.100 0.145 0.000 1.463 139 Y CB 0.486 39.002 38.460 0.094 0.000 1.303 139 Y HN 0.433 nan 8.280 nan 0.000 0.576 140 C N 4.481 123.982 119.300 0.335 0.000 2.642 140 C HA -0.186 4.266 4.460 -0.014 0.000 0.420 140 C C 1.979 177.152 174.990 0.304 0.000 1.349 140 C CA -0.839 58.386 59.018 0.346 0.000 1.821 140 C CB -0.454 27.484 27.740 0.330 0.000 2.637 140 C HN 1.111 nan 8.230 nan 0.000 0.605 141 W N 2.994 124.439 121.300 0.242 0.000 2.304 141 W HA -0.265 4.387 4.660 -0.014 0.000 0.315 141 W C 2.058 178.590 176.519 0.021 0.000 1.233 141 W CA 2.387 59.770 57.345 0.064 0.000 1.261 141 W CB -0.496 29.045 29.460 0.135 0.000 1.150 141 W HN 1.019 nan 8.180 nan 0.000 0.494 142 Y N 0.007 120.347 120.300 0.067 0.000 2.333 142 Y HA -0.134 4.407 4.550 -0.014 0.000 0.290 142 Y C 2.225 178.048 175.900 -0.128 0.000 1.144 142 Y CA 1.667 59.730 58.100 -0.063 0.000 1.228 142 Y CB -1.299 37.195 38.460 0.057 0.000 0.985 142 Y HN -0.114 nan 8.280 nan 0.000 0.542 143 L N 0.223 120.922 121.223 -0.873 0.000 2.201 143 L HA -0.066 4.265 4.340 -0.014 0.000 0.212 143 L C 0.492 177.082 176.870 -0.466 0.000 1.105 143 L CA -0.018 54.391 54.840 -0.719 0.000 0.775 143 L CB -0.424 41.246 42.059 -0.649 0.000 0.913 143 L HN 0.176 nan 8.230 nan 0.000 0.440 144 L N 1.026 121.982 121.223 -0.445 0.000 2.540 144 L HA -0.121 4.210 4.340 -0.014 0.000 0.276 144 L C 1.645 178.305 176.870 -0.350 0.000 1.212 144 L CA 0.794 55.384 54.840 -0.417 0.000 0.893 144 L CB -0.027 41.707 42.059 -0.542 0.000 1.138 144 L HN 0.097 nan 8.230 nan 0.000 0.491 145 K N 2.311 122.547 120.400 -0.273 0.000 2.044 145 K HA -0.209 4.103 4.320 -0.014 0.000 0.210 145 K C 0.674 177.164 176.600 -0.184 0.000 1.049 145 K CA 1.940 58.107 56.287 -0.199 0.000 0.927 145 K CB 0.171 32.576 32.500 -0.158 0.000 0.713 145 K HN 0.674 nan 8.250 nan 0.000 0.443 146 D N 0.136 120.413 120.400 -0.204 0.000 2.363 146 D HA -0.040 4.592 4.640 -0.014 0.000 0.220 146 D C 1.582 177.774 176.300 -0.180 0.000 0.994 146 D CA 0.403 54.306 54.000 -0.162 0.000 0.890 146 D CB 0.547 41.269 40.800 -0.130 0.000 0.906 146 D HN 0.083 nan 8.370 nan 0.000 0.530 147 V N -0.110 119.618 119.914 -0.310 0.000 2.868 147 V HA 0.080 4.192 4.120 -0.014 0.000 0.227 147 V C 0.317 176.290 176.094 -0.202 0.000 1.136 147 V CA 0.032 62.119 62.300 -0.356 0.000 1.206 147 V CB 0.033 31.296 31.823 -0.933 0.000 0.997 147 V HN 0.109 nan 8.190 nan 0.000 0.505 148 E N -0.670 119.404 120.200 -0.211 0.000 9.117 148 E HA -0.208 4.134 4.350 -0.014 0.000 0.474 148 E C 0.713 177.332 176.600 0.031 0.000 1.367 148 E CA 0.442 56.794 56.400 -0.080 0.000 2.381 148 E CB -0.930 28.736 29.700 -0.058 0.000 1.023 148 E HN 0.430 nan 8.360 nan 0.000 0.272 149 T N 0.690 115.314 114.554 0.117 0.000 2.720 149 T HA -0.260 4.081 4.350 -0.014 0.000 0.268 149 T C 1.726 176.482 174.700 0.093 0.000 1.037 149 T CA 2.120 64.306 62.100 0.143 0.000 1.144 149 T CB -0.306 68.630 68.868 0.114 0.000 0.864 149 T HN 0.496 nan 8.240 nan 0.000 0.444 150 K N 1.614 122.049 120.400 0.059 0.000 2.044 150 K HA -0.162 4.149 4.320 -0.014 0.000 0.210 150 K C 2.052 178.697 176.600 0.075 0.000 1.049 150 K CA 1.719 58.037 56.287 0.051 0.000 0.927 150 K CB -0.377 32.137 32.500 0.023 0.000 0.713 150 K HN 0.200 nan 8.250 nan 0.000 0.443 151 N N 1.112 119.856 118.700 0.074 0.000 2.216 151 N HA -0.052 4.679 4.740 -0.014 0.000 0.183 151 N C 2.005 177.672 175.510 0.262 0.000 1.017 151 N CA 1.331 54.462 53.050 0.135 0.000 0.861 151 N CB -0.257 38.299 38.487 0.115 0.000 0.986 151 N HN 0.411 nan 8.380 nan 0.000 0.428 152 A N 0.988 123.961 122.820 0.255 0.000 1.940 152 A HA -0.097 4.215 4.320 -0.014 0.000 0.219 152 A C 2.526 180.274 177.584 0.272 0.000 1.176 152 A CA 1.251 53.511 52.037 0.373 0.000 0.631 152 A CB -0.727 18.483 19.000 0.350 0.000 0.814 152 A HN 0.099 nan 8.150 nan 0.000 0.446 153 V N 0.698 120.719 119.914 0.179 0.000 2.295 153 V HA -0.247 3.865 4.120 -0.014 0.000 0.246 153 V C 2.476 178.661 176.094 0.151 0.000 1.049 153 V CA 2.304 64.683 62.300 0.131 0.000 1.024 153 V CB -1.002 30.873 31.823 0.087 0.000 0.648 153 V HN 0.712 nan 8.190 nan 0.000 0.447 154 N N 0.493 119.295 118.700 0.171 0.000 2.120 154 N HA -0.173 4.559 4.740 -0.014 0.000 0.188 154 N C 1.470 177.128 175.510 0.246 0.000 1.024 154 N CA 1.625 54.788 53.050 0.188 0.000 0.852 154 N CB -0.310 38.283 38.487 0.177 0.000 1.003 154 N HN 0.438 nan 8.380 nan 0.000 0.424 155 D N -0.455 120.133 120.400 0.313 0.000 2.178 155 D HA -0.093 4.539 4.640 -0.014 0.000 0.201 155 D C 1.993 178.400 176.300 0.178 0.000 0.980 155 D CA 0.528 54.728 54.000 0.333 0.000 0.842 155 D CB -0.286 40.784 40.800 0.451 0.000 0.948 155 D HN 0.102 nan 8.370 nan 0.000 0.472 156 V N 0.729 120.739 119.914 0.159 0.000 2.332 156 V HA -0.226 3.886 4.120 -0.014 0.000 0.248 156 V C 2.499 178.667 176.094 0.124 0.000 1.055 156 V CA 1.232 63.595 62.300 0.105 0.000 1.038 156 V CB -0.361 31.524 31.823 0.103 0.000 0.651 156 V HN 0.144 nan 8.190 nan 0.000 0.450 157 L N -1.148 120.166 121.223 0.152 0.000 2.156 157 L HA -0.092 4.239 4.340 -0.014 0.000 0.208 157 L C 2.196 179.180 176.870 0.189 0.000 1.095 157 L CA 1.163 56.116 54.840 0.189 0.000 0.770 157 L CB -0.452 41.705 42.059 0.163 0.000 0.914 157 L HN 0.291 nan 8.230 nan 0.000 0.439 158 L N -0.812 120.510 121.223 0.165 0.000 2.005 158 L HA -0.189 4.142 4.340 -0.014 0.000 0.207 158 L C 2.324 179.197 176.870 0.004 0.000 1.072 158 L CA 1.609 56.529 54.840 0.135 0.000 0.744 158 L CB -0.232 41.938 42.059 0.185 0.000 0.895 158 L HN 0.100 nan 8.230 nan 0.000 0.433 159 L N -1.578 119.600 121.223 -0.075 0.000 2.042 159 L HA -0.278 4.053 4.340 -0.014 0.000 0.210 159 L C 2.534 179.325 176.870 -0.131 0.000 1.076 159 L CA 1.656 56.351 54.840 -0.242 0.000 0.749 159 L CB -0.817 41.069 42.059 -0.289 0.000 0.893 159 L HN 0.360 nan 8.230 nan 0.000 0.432 160 Y N 0.957 121.192 120.300 -0.108 0.000 2.145 160 Y HA -0.246 4.297 4.550 -0.012 0.000 0.286 160 Y C 2.516 178.436 175.900 0.033 0.000 1.145 160 Y CA 1.636 59.705 58.100 -0.052 0.000 1.148 160 Y CB -0.289 38.177 38.460 0.010 0.000 0.981 160 Y HN 0.208 nan 8.280 nan 0.000 0.507 161 N N -0.367 118.323 118.700 -0.017 0.000 2.331 161 N HA -0.131 4.600 4.740 -0.014 0.000 0.180 161 N C 2.042 177.498 175.510 -0.090 0.000 1.019 161 N CA 1.215 54.267 53.050 0.003 0.000 0.881 161 N CB -0.283 38.279 38.487 0.126 0.000 0.972 161 N HN 0.514 nan 8.380 nan 0.000 0.435 162 S N 1.059 116.578 115.700 -0.303 0.000 2.399 162 S HA -0.075 4.386 4.470 -0.014 0.000 0.231 162 S C 2.056 176.395 174.600 -0.436 0.000 1.022 162 S CA 0.490 58.261 58.200 -0.715 0.000 0.983 162 S CB -0.523 61.998 63.200 -1.132 0.000 0.803 162 S HN 0.203 nan 8.310 nan 0.000 0.480 163 I N 0.321 120.626 120.570 -0.441 0.000 2.127 163 I HA -0.218 3.944 4.170 -0.014 0.000 0.241 163 I C 2.328 178.059 176.117 -0.644 0.000 1.075 163 I CA 1.881 62.810 61.300 -0.617 0.000 1.334 163 I CB -0.529 36.915 38.000 -0.926 0.000 1.040 163 I HN 0.271 nan 8.210 nan 0.000 0.405 164 Y N 0.333 120.414 120.300 -0.365 0.000 2.373 164 Y HA -0.193 4.348 4.550 -0.016 0.000 0.293 164 Y C 2.439 178.268 175.900 -0.118 0.000 1.129 164 Y CA 0.986 58.932 58.100 -0.257 0.000 1.226 164 Y CB -0.427 37.890 38.460 -0.238 0.000 1.000 164 Y HN 0.031 nan 8.280 nan 0.000 0.549 165 K N 0.921 121.334 120.400 0.022 0.000 2.057 165 K HA -0.072 4.240 4.320 -0.014 0.000 0.206 165 K C 1.757 178.381 176.600 0.040 0.000 1.050 165 K CA 1.273 57.581 56.287 0.036 0.000 0.935 165 K CB -0.674 31.902 32.500 0.127 0.000 0.715 165 K HN 0.307 nan 8.250 nan 0.000 0.439 166 L N -0.097 121.141 121.223 0.026 0.000 2.056 166 L HA -0.160 4.172 4.340 -0.014 0.000 0.207 166 L C 2.368 179.320 176.870 0.136 0.000 1.078 166 L CA 0.873 55.781 54.840 0.114 0.000 0.749 166 L CB -0.382 41.700 42.059 0.038 0.000 0.901 166 L HN 0.019 nan 8.230 nan 0.000 0.433 167 I N -0.585 119.984 120.570 -0.003 0.000 2.286 167 I HA -0.237 3.925 4.170 -0.014 0.000 0.248 167 I C 2.553 178.823 176.117 0.254 0.000 1.115 167 I CA 1.373 62.711 61.300 0.063 0.000 1.392 167 I CB -0.926 37.013 38.000 -0.102 0.000 1.065 167 I HN 0.456 nan 8.210 nan 0.000 0.418 168 E N 0.780 121.112 120.200 0.220 0.000 2.028 168 E HA -0.209 4.132 4.350 -0.014 0.000 0.191 168 E C 2.349 178.923 176.600 -0.043 0.000 0.988 168 E CA 1.520 58.006 56.400 0.142 0.000 0.799 168 E CB -0.165 29.611 29.700 0.128 0.000 0.755 168 E HN 0.606 nan 8.360 nan 0.000 0.447 169 I N -0.021 120.515 120.570 -0.057 0.000 2.151 169 I HA -0.305 3.857 4.170 -0.014 0.000 0.243 169 I C 1.710 177.627 176.117 -0.333 0.000 1.080 169 I CA 1.492 62.652 61.300 -0.232 0.000 1.339 169 I CB -0.197 37.616 38.000 -0.313 0.000 1.039 169 I HN 0.235 nan 8.210 nan 0.000 0.409 170 Y N -1.295 119.014 120.300 0.015 0.000 2.458 170 Y HA 0.210 4.759 4.550 -0.003 0.000 0.254 170 Y C 1.288 177.189 175.900 0.002 0.000 1.120 170 Y CA 0.077 58.196 58.100 0.032 0.000 1.282 170 Y CB 0.500 39.013 38.460 0.087 0.000 1.109 170 Y HN 0.009 nan 8.280 nan 0.000 0.526 171 L N -0.400 120.877 121.223 0.090 0.000 3.298 171 L HA 0.222 4.554 4.340 -0.014 0.000 0.296 171 L C 1.933 178.644 176.870 -0.264 0.000 1.237 171 L CA 0.047 54.915 54.840 0.046 0.000 1.038 171 L CB 0.159 42.341 42.059 0.204 0.000 1.423 171 L HN 0.020 nan 8.230 nan 0.000 0.605 172 R N -0.753 119.429 120.500 -0.530 0.000 2.152 172 R HA -0.087 4.245 4.340 -0.014 0.000 0.232 172 R C 0.721 176.666 176.300 -0.592 0.000 1.117 172 R CA 2.037 57.505 56.100 -1.053 0.000 0.981 172 R CB -0.540 29.393 30.300 -0.611 0.000 0.870 172 R HN 0.381 nan 8.270 nan 0.000 0.451 173 N N 0.123 118.660 118.700 -0.272 0.000 2.236 173 N HA 0.036 4.768 4.740 -0.014 0.000 0.196 173 N C -0.554 174.925 175.510 -0.051 0.000 1.114 173 N CA -0.224 52.748 53.050 -0.130 0.000 0.859 173 N CB 0.409 38.847 38.487 -0.082 0.000 0.982 173 N HN 0.160 nan 8.380 nan 0.000 0.493 174 E N 0.499 120.684 120.200 -0.026 0.000 2.390 174 E HA 0.029 4.370 4.350 -0.014 0.000 0.261 174 E C 0.881 177.534 176.600 0.088 0.000 1.076 174 E CA 0.053 56.482 56.400 0.048 0.000 0.905 174 E CB 1.174 30.924 29.700 0.083 0.000 0.984 174 E HN 0.224 nan 8.360 nan 0.000 0.427 175 S N 0.096 115.846 115.700 0.083 0.000 2.436 175 S HA -0.130 4.332 4.470 -0.014 0.000 0.228 175 S C 2.014 176.681 174.600 0.112 0.000 1.014 175 S CA 0.849 59.102 58.200 0.089 0.000 0.950 175 S CB -0.661 62.578 63.200 0.065 0.000 0.784 175 S HN 0.696 nan 8.310 nan 0.000 0.504 176 C N -0.500 118.868 119.300 0.115 0.000 2.472 176 C HA 0.202 4.654 4.460 -0.014 0.000 0.278 176 C C 2.163 177.235 174.990 0.137 0.000 1.447 176 C CA -0.238 58.844 59.018 0.105 0.000 1.773 176 C CB -2.266 25.530 27.740 0.093 0.000 1.793 176 C HN 0.505 nan 8.230 nan 0.000 0.544 177 Y N 2.824 123.147 120.300 0.039 0.000 1.997 177 Y HA -0.285 4.260 4.550 -0.008 0.000 0.265 177 Y C 2.412 178.344 175.900 0.054 0.000 1.193 177 Y CA 2.437 60.562 58.100 0.043 0.000 1.106 177 Y CB -0.883 37.597 38.460 0.034 0.000 0.940 177 Y HN 0.249 nan 8.280 nan 0.000 0.494 178 V N 0.669 120.538 119.914 -0.075 0.000 2.343 178 V HA -0.293 3.819 4.120 -0.014 0.000 0.247 178 V C 2.142 178.187 176.094 -0.082 0.000 1.051 178 V CA 2.241 64.450 62.300 -0.152 0.000 1.036 178 V CB -0.679 31.129 31.823 -0.024 0.000 0.654 178 V HN 0.452 nan 8.190 nan 0.000 0.451 179 D N -0.183 120.204 120.400 -0.022 0.000 2.144 179 D HA -0.108 4.523 4.640 -0.014 0.000 0.200 179 D C 2.173 178.478 176.300 0.008 0.000 0.978 179 D CA 1.137 55.129 54.000 -0.014 0.000 0.833 179 D CB -0.064 40.724 40.800 -0.020 0.000 0.961 179 D HN 0.341 nan 8.370 nan 0.000 0.470 180 V N 2.554 122.486 119.914 0.030 0.000 2.307 180 V HA -0.203 3.909 4.120 -0.014 0.000 0.245 180 V C 2.613 178.825 176.094 0.196 0.000 1.045 180 V CA 1.219 63.585 62.300 0.109 0.000 1.024 180 V CB -0.529 31.370 31.823 0.126 0.000 0.651 180 V HN 0.261 nan 8.190 nan 0.000 0.449 181 I N -0.125 120.474 120.570 0.048 0.000 2.286 181 I HA -0.133 4.029 4.170 -0.014 0.000 0.248 181 I C 2.473 178.721 176.117 0.218 0.000 1.115 181 I CA 1.906 63.286 61.300 0.132 0.000 1.392 181 I CB -1.016 36.965 38.000 -0.033 0.000 1.065 181 I HN 0.186 nan 8.210 nan 0.000 0.418 182 A N 1.685 124.564 122.820 0.097 0.000 1.933 182 A HA -0.128 4.184 4.320 -0.014 0.000 0.218 182 A C 2.350 180.015 177.584 0.135 0.000 1.175 182 A CA 2.424 54.516 52.037 0.092 0.000 0.628 182 A CB -1.219 17.802 19.000 0.035 0.000 0.814 182 A HN 0.537 nan 8.150 nan 0.000 0.444 183 T N -0.759 113.871 114.554 0.127 0.000 2.777 183 T HA -0.080 4.261 4.350 -0.014 0.000 0.266 183 T C 1.529 176.292 174.700 0.106 0.000 1.040 183 T CA 1.487 63.638 62.100 0.085 0.000 1.141 183 T CB -0.401 68.450 68.868 -0.027 0.000 0.868 183 T HN 0.412 nan 8.240 nan 0.000 0.444 184 F N 1.156 121.176 119.950 0.116 0.000 2.113 184 F HA 0.032 4.552 4.527 -0.011 0.000 0.297 184 F C 2.696 178.666 175.800 0.285 0.000 1.103 184 F CA 1.021 59.114 58.000 0.155 0.000 1.248 184 F CB -0.197 38.811 39.000 0.012 0.000 0.999 184 F HN -0.094 nan 8.300 nan 0.000 0.475 185 R N 0.579 121.366 120.500 0.479 0.000 2.070 185 R HA -0.153 4.179 4.340 -0.014 0.000 0.233 185 R C 1.864 178.308 176.300 0.241 0.000 1.137 185 R CA 1.923 58.235 56.100 0.354 0.000 0.945 185 R CB -0.584 29.833 30.300 0.195 0.000 0.845 185 R HN 0.143 nan 8.270 nan 0.000 0.430 186 D N -0.378 120.130 120.400 0.180 0.000 2.144 186 D HA -0.083 4.549 4.640 -0.014 0.000 0.200 186 D C 1.641 178.005 176.300 0.107 0.000 0.978 186 D CA 1.476 55.543 54.000 0.111 0.000 0.833 186 D CB -0.248 40.607 40.800 0.090 0.000 0.961 186 D HN 0.320 nan 8.370 nan 0.000 0.470 187 A N 0.314 123.246 122.820 0.187 0.000 1.969 187 A HA -0.113 4.199 4.320 -0.014 0.000 0.218 187 A C 2.317 180.061 177.584 0.267 0.000 1.169 187 A CA 1.703 53.884 52.037 0.241 0.000 0.635 187 A CB -0.712 18.451 19.000 0.271 0.000 0.810 187 A HN 0.186 nan 8.150 nan 0.000 0.445 188 T N 0.449 115.187 114.554 0.306 0.000 2.777 188 T HA -0.067 4.274 4.350 -0.014 0.000 0.266 188 T C 1.819 176.624 174.700 0.175 0.000 1.040 188 T CA 1.375 63.676 62.100 0.335 0.000 1.141 188 T CB -0.362 68.754 68.868 0.413 0.000 0.868 188 T HN 0.342 nan 8.240 nan 0.000 0.444 189 L N 0.407 121.705 121.223 0.125 0.000 2.042 189 L HA -0.129 4.202 4.340 -0.014 0.000 0.210 189 L C 2.682 179.571 176.870 0.031 0.000 1.076 189 L CA 1.466 56.338 54.840 0.053 0.000 0.749 189 L CB -0.366 41.715 42.059 0.037 0.000 0.893 189 L HN 0.206 nan 8.230 nan 0.000 0.432 190 K N -0.892 119.524 120.400 0.027 0.000 2.097 190 K HA -0.125 4.186 4.320 -0.014 0.000 0.205 190 K C 2.031 178.696 176.600 0.109 0.000 1.050 190 K CA 1.791 58.108 56.287 0.050 0.000 0.938 190 K CB -0.182 32.205 32.500 -0.190 0.000 0.718 190 K HN 0.320 nan 8.250 nan 0.000 0.442 191 T N 1.619 116.217 114.554 0.072 0.000 2.746 191 T HA -0.098 4.243 4.350 -0.014 0.000 0.267 191 T C 1.897 176.531 174.700 -0.111 0.000 1.039 191 T CA 1.095 63.162 62.100 -0.054 0.000 1.142 191 T CB -0.210 68.488 68.868 -0.282 0.000 0.866 191 T HN 0.118 nan 8.240 nan 0.000 0.444 192 I N 0.886 121.418 120.570 -0.062 0.000 2.163 192 I HA -0.172 3.990 4.170 -0.014 0.000 0.243 192 I C 2.230 178.341 176.117 -0.011 0.000 1.085 192 I CA 1.051 62.323 61.300 -0.047 0.000 1.347 192 I CB -0.394 37.590 38.000 -0.027 0.000 1.044 192 I HN 0.181 nan 8.210 nan 0.000 0.408 193 I N 0.761 121.328 120.570 -0.005 0.000 2.252 193 I HA -0.173 3.989 4.170 -0.014 0.000 0.245 193 I C 2.696 178.826 176.117 0.022 0.000 1.102 193 I CA 1.800 63.094 61.300 -0.010 0.000 1.385 193 I CB -2.025 35.930 38.000 -0.075 0.000 1.064 193 I HN 0.247 nan 8.210 nan 0.000 0.414 194 G N 0.040 108.867 108.800 0.045 0.000 2.408 194 G HA2 -0.305 3.646 3.960 -0.014 0.000 0.217 194 G HA3 -0.305 3.646 3.960 -0.014 0.000 0.217 194 G C 1.590 176.478 174.900 -0.019 0.000 1.150 194 G CA 0.787 45.915 45.100 0.047 0.000 0.776 194 G HN 0.352 nan 8.290 nan 0.000 0.542 195 Q N 0.314 120.089 119.800 -0.041 0.000 2.084 195 Q HA -0.136 4.195 4.340 -0.014 0.000 0.202 195 Q C 2.136 178.101 176.000 -0.059 0.000 0.978 195 Q CA 2.128 57.886 55.803 -0.075 0.000 0.844 195 Q CB -0.706 27.965 28.738 -0.112 0.000 0.898 195 Q HN 0.692 nan 8.270 nan 0.000 0.426 196 H N -0.488 118.525 119.070 -0.096 0.000 2.319 196 H HA -0.084 4.464 4.556 -0.014 0.000 0.299 196 H C 1.699 176.936 175.328 -0.152 0.000 1.092 196 H CA 2.186 58.179 56.048 -0.092 0.000 1.302 196 H CB -0.208 29.524 29.762 -0.050 0.000 1.373 196 H HN 0.306 nan 8.280 nan 0.000 0.497 197 L N -0.311 120.845 121.223 -0.112 0.000 2.046 197 L HA -0.142 4.189 4.340 -0.014 0.000 0.208 197 L C 2.265 178.941 176.870 -0.324 0.000 1.077 197 L CA 1.604 56.303 54.840 -0.236 0.000 0.747 197 L CB -0.440 41.564 42.059 -0.093 0.000 0.896 197 L HN 0.356 nan 8.230 nan 0.000 0.432 198 D N -0.580 119.683 120.400 -0.228 0.000 2.178 198 D HA -0.152 4.480 4.640 -0.014 0.000 0.201 198 D C 2.024 178.174 176.300 -0.250 0.000 0.980 198 D CA 1.297 55.165 54.000 -0.220 0.000 0.842 198 D CB 0.209 40.925 40.800 -0.139 0.000 0.948 198 D HN 0.138 nan 8.370 nan 0.000 0.472 199 T N -0.550 113.846 114.554 -0.264 0.000 2.896 199 T HA 0.010 4.352 4.350 -0.014 0.000 0.263 199 T C 1.256 175.770 174.700 -0.310 0.000 1.050 199 T CA 0.719 62.673 62.100 -0.243 0.000 1.140 199 T CB 0.028 68.769 68.868 -0.213 0.000 0.877 199 T HN 0.169 nan 8.240 nan 0.000 0.457 200 N N 0.272 118.672 118.700 -0.501 0.000 2.171 200 N HA 0.154 4.886 4.740 -0.014 0.000 0.212 200 N C 1.545 176.587 175.510 -0.780 0.000 1.184 200 N CA 0.012 52.705 53.050 -0.595 0.000 0.888 200 N CB 0.192 38.211 38.487 -0.781 0.000 1.038 200 N HN 0.165 nan 8.380 nan 0.000 0.517 201 I N 0.337 120.488 120.570 -0.698 0.000 2.335 201 I HA -0.143 4.019 4.170 -0.014 0.000 0.251 201 I C 0.946 176.937 176.117 -0.210 0.000 1.129 201 I CA 1.264 62.219 61.300 -0.575 0.000 1.402 201 I CB -0.857 36.822 38.000 -0.536 0.000 1.069 201 I HN 0.048 nan 8.210 nan 0.000 0.424 202 F N 1.007 120.864 119.950 -0.156 0.000 2.664 202 F HA 0.372 4.890 4.527 -0.014 0.000 0.303 202 F C 1.569 177.345 175.800 -0.041 0.000 1.092 202 F CA -0.166 57.791 58.000 -0.072 0.000 1.305 202 F CB -1.086 37.883 39.000 -0.053 0.000 1.054 202 F HN 0.233 nan 8.300 nan 0.000 0.565 203 S N -1.304 114.453 115.700 0.096 0.000 2.592 203 S HA -0.016 4.446 4.470 -0.014 0.000 0.271 203 S C 1.187 175.869 174.600 0.136 0.000 1.326 203 S CA 0.081 58.333 58.200 0.087 0.000 1.024 203 S CB 1.312 64.531 63.200 0.030 0.000 0.921 203 S HN 0.179 nan 8.310 nan 0.000 0.527 204 D N 1.264 121.723 120.400 0.097 0.000 2.265 204 D HA -0.141 4.491 4.640 -0.014 0.000 0.208 204 D C 1.897 178.255 176.300 0.097 0.000 0.977 204 D CA 1.637 55.686 54.000 0.083 0.000 0.871 204 D CB -0.426 40.405 40.800 0.052 0.000 0.925 204 D HN 0.852 nan 8.370 nan 0.000 0.485 205 K N -1.673 118.807 120.400 0.134 0.000 2.217 205 K HA -0.098 4.214 4.320 -0.014 0.000 0.202 205 K C 1.617 178.280 176.600 0.105 0.000 1.051 205 K CA 1.064 57.425 56.287 0.122 0.000 0.952 205 K CB -0.380 32.209 32.500 0.149 0.000 0.736 205 K HN 0.411 nan 8.250 nan 0.000 0.453 206 Y N 1.328 121.642 120.300 0.024 0.000 2.482 206 Y HA 0.130 4.672 4.550 -0.014 0.000 0.270 206 Y C 2.186 178.104 175.900 0.031 0.000 1.152 206 Y CA 0.126 58.242 58.100 0.027 0.000 1.292 206 Y CB 0.697 39.170 38.460 0.022 0.000 1.070 206 Y HN 0.113 nan 8.280 nan 0.000 0.528 207 S N -0.193 115.590 115.700 0.138 0.000 2.355 207 S HA -0.060 4.402 4.470 -0.014 0.000 0.222 207 S C 0.965 175.590 174.600 0.042 0.000 1.031 207 S CA 1.412 59.663 58.200 0.086 0.000 0.993 207 S CB -0.547 62.692 63.200 0.066 0.000 0.859 207 S HN 0.579 nan 8.310 nan 0.000 0.453 213 I N 1.933 122.507 120.570 0.008 0.000 2.533 213 I HA 0.177 4.339 4.170 -0.014 0.000 0.284 213 I C 0.259 176.385 176.117 0.015 0.000 1.109 213 I CA 0.078 61.389 61.300 0.019 0.000 1.412 213 I CB 1.135 39.151 38.000 0.028 0.000 1.396 213 I HN 0.554 nan 8.210 nan 0.000 0.543 214 D N 6.367 126.776 120.400 0.016 0.000 2.374 214 D HA 0.059 4.690 4.640 -0.014 0.000 0.240 214 D C 0.976 177.283 176.300 0.013 0.000 1.229 214 D CA -0.199 53.808 54.000 0.013 0.000 0.895 214 D CB 1.002 41.810 40.800 0.012 0.000 1.046 214 D HN 0.348 nan 8.370 nan 0.000 0.498 215 V N 1.616 121.536 119.914 0.011 0.000 3.592 215 V HA 0.094 4.206 4.120 -0.014 0.000 0.272 215 V C 0.837 176.936 176.094 0.009 0.000 1.228 215 V CA 0.537 62.843 62.300 0.010 0.000 1.173 215 V CB -0.429 31.399 31.823 0.009 0.000 0.873 215 V HN 0.381 nan 8.190 nan 0.000 0.476 216 N N 0.875 119.580 118.700 0.008 0.000 2.197 216 N HA 0.112 4.843 4.740 -0.014 0.000 0.201 216 N C 0.184 175.698 175.510 0.007 0.000 1.148 216 N CA 0.112 53.166 53.050 0.007 0.000 0.883 216 N CB 0.208 38.699 38.487 0.005 0.000 1.012 216 N HN 0.525 nan 8.380 nan 0.000 0.507 217 N N 1.651 120.356 118.700 0.009 0.000 2.439 217 N HA 0.177 4.908 4.740 -0.014 0.000 0.249 217 N C 0.490 176.006 175.510 0.010 0.000 1.003 217 N CA -0.254 52.802 53.050 0.009 0.000 0.942 217 N CB 0.556 39.049 38.487 0.010 0.000 1.115 217 N HN 0.145 nan 8.380 nan 0.000 0.505 218 I N 0.008 120.583 120.570 0.008 0.000 4.338 218 I HA 0.510 4.671 4.170 -0.014 0.000 0.329 218 I C 0.612 176.733 176.117 0.007 0.000 1.378 218 I CA -0.177 61.128 61.300 0.008 0.000 1.170 218 I CB 0.323 38.327 38.000 0.007 0.000 1.206 218 I HN 0.196 nan 8.210 nan 0.000 0.432 219 N N 0.636 119.340 118.700 0.006 0.000 2.460 219 N HA 0.214 4.945 4.740 -0.014 0.000 0.193 219 N C 0.088 175.601 175.510 0.005 0.000 1.080 219 N CA 0.446 53.499 53.050 0.005 0.000 0.869 219 N CB 0.923 39.413 38.487 0.004 0.000 1.201 219 N HN 0.132 nan 8.380 nan 0.000 0.457 220 V N 4.144 124.062 119.914 0.006 0.000 2.299 220 V HA 0.334 4.446 4.120 -0.014 0.000 0.255 220 V C -2.129 173.969 176.094 0.007 0.000 1.100 220 V CA -1.319 60.985 62.300 0.006 0.000 0.938 220 V CB 0.198 32.025 31.823 0.006 0.000 1.139 220 V HN 0.162 nan 8.190 nan 0.000 0.490 221 P HA 0.200 nan 4.420 nan 0.000 0.276 221 P C -0.100 177.205 177.300 0.008 0.000 1.243 221 P CA -0.286 62.818 63.100 0.007 0.000 0.768 221 P CB 0.724 32.427 31.700 0.005 0.000 0.856 222 E N 0.829 121.035 120.200 0.011 0.000 2.324 222 E HA 0.362 4.704 4.350 -0.014 0.000 0.271 222 E C 0.149 176.756 176.600 0.012 0.000 1.028 222 E CA -0.744 55.664 56.400 0.013 0.000 0.890 222 E CB 0.074 29.786 29.700 0.019 0.000 1.004 222 E HN 0.526 nan 8.360 nan 0.000 0.431 223 Q N 4.028 123.834 119.800 0.009 0.000 2.313 223 Q HA 0.261 4.592 4.340 -0.014 0.000 0.266 223 Q C -2.318 173.690 176.000 0.013 0.000 0.989 223 Q CA -1.722 54.086 55.803 0.007 0.000 0.890 223 Q CB -0.503 28.236 28.738 0.002 0.000 1.200 223 Q HN 0.579 nan 8.270 nan 0.000 0.396 224 P HA 0.484 nan 4.420 nan 0.000 0.276 224 P C -0.997 176.318 177.300 0.026 0.000 1.235 224 P CA -0.293 62.828 63.100 0.033 0.000 0.772 224 P CB 1.233 32.955 31.700 0.038 0.000 0.871 225 V N 3.842 123.768 119.914 0.021 0.000 3.087 225 V HA 0.385 4.496 4.120 -0.014 0.000 0.306 225 V C -0.431 175.562 176.094 -0.167 0.000 1.187 225 V CA -0.916 61.358 62.300 -0.042 0.000 0.999 225 V CB 2.538 34.335 31.823 -0.044 0.000 1.049 225 V HN 0.284 nan 8.190 nan 0.000 0.431 226 I N 3.345 123.695 120.570 -0.366 0.000 2.634 226 I HA 0.331 4.493 4.170 -0.014 0.000 0.284 226 I C 0.061 175.762 176.117 -0.692 0.000 1.124 226 I CA -0.310 60.414 61.300 -0.960 0.000 1.417 226 I CB 1.083 38.625 38.000 -0.763 0.000 1.396 226 I HN 0.877 nan 8.210 nan 0.000 0.571 227 D N 3.528 123.435 120.400 -0.821 0.000 2.453 227 D HA 0.291 4.922 4.640 -0.014 0.000 0.238 227 D C 0.947 177.084 176.300 -0.272 0.000 1.088 227 D CA -0.530 53.302 54.000 -0.279 0.000 0.854 227 D CB 1.464 42.277 40.800 0.021 0.000 1.076 227 D HN 0.407 nan 8.370 nan 0.000 0.533 228 I N 1.568 121.983 120.570 -0.259 0.000 2.454 228 I HA -0.119 4.043 4.170 -0.014 0.000 0.254 228 I C 1.337 177.380 176.117 -0.123 0.000 1.156 228 I CA 0.879 62.010 61.300 -0.282 0.000 1.433 228 I CB -1.210 36.727 38.000 -0.105 0.000 1.082 228 I HN 0.378 nan 8.210 nan 0.000 0.432 229 N N 0.467 119.146 118.700 -0.034 0.000 2.453 229 N HA -0.019 4.713 4.740 -0.014 0.000 0.183 229 N C 1.504 177.038 175.510 0.041 0.000 1.041 229 N CA 1.447 54.507 53.050 0.015 0.000 0.900 229 N CB -0.252 38.255 38.487 0.033 0.000 0.961 229 N HN 0.479 nan 8.380 nan 0.000 0.443 230 M N -0.041 119.604 119.600 0.075 0.000 2.382 230 M HA 0.172 4.643 4.480 -0.014 0.000 0.247 230 M C 0.424 176.785 176.300 0.101 0.000 1.104 230 M CA 0.058 55.436 55.300 0.130 0.000 1.030 230 M CB -0.155 32.588 32.600 0.239 0.000 1.424 230 M HN -0.196 nan 8.290 nan 0.000 0.486 231 I N 2.952 123.519 120.570 -0.005 0.000 2.270 231 I HA 0.106 4.267 4.170 -0.014 0.000 0.294 231 I C -0.045 176.018 176.117 -0.090 0.000 1.164 231 I CA -0.612 60.609 61.300 -0.132 0.000 1.680 231 I CB -2.359 35.320 38.000 -0.535 0.000 1.494 231 I HN 0.484 nan 8.210 nan 0.000 0.767 232 N N -0.044 118.643 118.700 -0.021 0.000 2.484 232 N HA 0.542 5.273 4.740 -0.014 0.000 0.269 232 N C 0.439 175.977 175.510 0.047 0.000 1.237 232 N CA -0.406 52.646 53.050 0.004 0.000 0.838 232 N CB 0.913 39.417 38.487 0.029 0.000 1.593 232 N HN 0.039 nan 8.380 nan 0.000 0.485 233 F N 0.001 119.981 119.950 0.050 0.000 2.269 233 F HA 0.201 4.720 4.527 -0.014 0.000 0.301 233 F C 1.981 177.897 175.800 0.193 0.000 1.082 233 F CA 1.348 59.428 58.000 0.133 0.000 1.360 233 F CB -1.209 37.864 39.000 0.121 0.000 1.041 233 F HN 0.719 nan 8.300 nan 0.000 0.512 234 G N -0.211 108.669 108.800 0.132 0.000 2.404 234 G HA2 -0.104 3.848 3.960 -0.014 0.000 0.215 234 G HA3 -0.104 3.848 3.960 -0.014 0.000 0.215 234 G C 1.853 176.826 174.900 0.122 0.000 1.174 234 G CA 1.429 46.600 45.100 0.119 0.000 0.780 234 G HN 0.401 nan 8.290 nan 0.000 0.537 235 V N -0.052 119.929 119.914 0.111 0.000 2.295 235 V HA -0.199 3.912 4.120 -0.014 0.000 0.246 235 V C 2.290 178.447 176.094 0.105 0.000 1.049 235 V CA 1.836 64.190 62.300 0.090 0.000 1.024 235 V CB -0.756 31.108 31.823 0.067 0.000 0.648 235 V HN 0.469 nan 8.190 nan 0.000 0.447 236 Y N 1.193 121.504 120.300 0.018 0.000 2.114 236 Y HA -0.300 4.241 4.550 -0.014 0.000 0.282 236 Y C 2.540 178.482 175.900 0.071 0.000 1.165 236 Y CA 2.095 60.212 58.100 0.028 0.000 1.148 236 Y CB -0.208 38.279 38.460 0.044 0.000 0.972 236 Y HN 0.154 nan 8.280 nan 0.000 0.504 237 K N 0.045 120.527 120.400 0.138 0.000 2.097 237 K HA -0.187 4.125 4.320 -0.014 0.000 0.206 237 K C 1.969 178.607 176.600 0.063 0.000 1.049 237 K CA 1.554 57.891 56.287 0.082 0.000 0.933 237 K CB -0.324 32.269 32.500 0.154 0.000 0.717 237 K HN 0.513 nan 8.250 nan 0.000 0.442 238 N N 0.634 119.390 118.700 0.095 0.000 2.069 238 N HA -0.175 4.556 4.740 -0.014 0.000 0.191 238 N C 1.889 177.500 175.510 0.169 0.000 1.031 238 N CA 1.176 54.318 53.050 0.152 0.000 0.852 238 N CB -0.112 38.427 38.487 0.087 0.000 1.018 238 N HN 0.094 nan 8.380 nan 0.000 0.423 239 I N 0.440 121.019 120.570 0.015 0.000 2.133 239 I HA -0.227 3.935 4.170 -0.014 0.000 0.238 239 I C 2.258 178.359 176.117 -0.026 0.000 1.074 239 I CA 0.877 62.155 61.300 -0.037 0.000 1.342 239 I CB -0.377 37.540 38.000 -0.139 0.000 1.053 239 I HN -0.040 nan 8.210 nan 0.000 0.404 240 V N 1.082 120.893 119.914 -0.172 0.000 2.332 240 V HA -0.285 3.826 4.120 -0.014 0.000 0.248 240 V C 2.313 178.413 176.094 0.009 0.000 1.055 240 V CA 1.900 64.106 62.300 -0.157 0.000 1.038 240 V CB -0.369 31.199 31.823 -0.425 0.000 0.651 240 V HN 0.327 nan 8.190 nan 0.000 0.450 241 I N -0.876 119.712 120.570 0.031 0.000 2.179 241 I HA -0.258 3.903 4.170 -0.014 0.000 0.242 241 I C 2.420 178.577 176.117 0.066 0.000 1.088 241 I CA 1.748 63.058 61.300 0.016 0.000 1.357 241 I CB -0.360 37.632 38.000 -0.014 0.000 1.051 241 I HN 0.389 nan 8.210 nan 0.000 0.409 242 H N -0.072 119.101 119.070 0.171 0.000 2.372 242 H HA -0.099 4.448 4.556 -0.014 0.000 0.301 242 H C 2.186 177.605 175.328 0.150 0.000 1.065 242 H CA 1.260 57.419 56.048 0.186 0.000 1.364 242 H CB 0.012 29.816 29.762 0.070 0.000 1.406 242 H HN 0.107 nan 8.280 nan 0.000 0.521 243 K N -0.337 120.175 120.400 0.187 0.000 2.097 243 K HA -0.085 4.226 4.320 -0.014 0.000 0.205 243 K C 0.971 177.701 176.600 0.216 0.000 1.050 243 K CA 1.829 58.181 56.287 0.108 0.000 0.938 243 K CB 0.315 32.837 32.500 0.038 0.000 0.718 243 K HN 0.289 nan 8.250 nan 0.000 0.442 244 T N -1.000 113.690 114.554 0.226 0.000 3.098 244 T HA 0.197 4.538 4.350 -0.014 0.000 0.246 244 T C 1.762 176.529 174.700 0.112 0.000 0.983 244 T CA 0.289 62.524 62.100 0.226 0.000 1.094 244 T CB -0.055 68.972 68.868 0.265 0.000 1.035 244 T HN 0.193 nan 8.240 nan 0.000 0.456 245 A N 0.850 123.751 122.820 0.136 0.000 1.917 245 A HA -0.123 4.189 4.320 -0.014 0.000 0.219 245 A C 2.004 179.581 177.584 -0.013 0.000 1.182 245 A CA 1.655 53.736 52.037 0.072 0.000 0.633 245 A CB -1.088 17.824 19.000 -0.147 0.000 0.819 245 A HN 0.569 nan 8.150 nan 0.000 0.448 246 Y N -1.525 118.839 120.300 0.106 0.000 2.184 246 Y HA -0.158 4.384 4.550 -0.014 0.000 0.290 246 Y C 2.435 178.453 175.900 0.197 0.000 1.129 246 Y CA 1.874 60.072 58.100 0.164 0.000 1.144 246 Y CB -0.601 37.926 38.460 0.110 0.000 0.995 246 Y HN 0.627 nan 8.280 nan 0.000 0.513 247 Y N -2.315 118.112 120.300 0.212 0.000 2.420 247 Y HA 0.098 4.640 4.550 -0.015 0.000 0.292 247 Y C 2.032 177.901 175.900 -0.053 0.000 1.119 247 Y CA 0.847 59.021 58.100 0.123 0.000 1.229 247 Y CB -0.675 37.960 38.460 0.293 0.000 1.026 247 Y HN -0.135 nan 8.280 nan 0.000 0.554 248 S N -0.118 115.049 115.700 -0.889 0.000 2.425 248 S HA 0.095 4.557 4.470 -0.014 0.000 0.225 248 S C 0.944 174.847 174.600 -1.161 0.000 1.024 248 S CA 1.239 58.712 58.200 -1.213 0.000 0.951 248 S CB -0.247 62.081 63.200 -1.452 0.000 0.796 248 S HN 0.509 nan 8.310 nan 0.000 0.498 249 F N -1.348 118.442 119.950 -0.268 0.000 2.495 249 F HA 0.373 4.892 4.527 -0.013 0.000 0.272 249 F C 1.570 177.316 175.800 -0.090 0.000 0.919 249 F CA -0.683 57.203 58.000 -0.190 0.000 1.178 249 F CB -0.715 38.177 39.000 -0.180 0.000 1.030 249 F HN 0.055 nan 8.300 nan 0.000 0.777 250 F N 1.407 121.345 119.950 -0.019 0.000 2.046 250 F HA -0.217 4.302 4.527 -0.013 0.000 0.297 250 F C 2.330 178.116 175.800 -0.022 0.000 1.123 250 F CA 1.597 59.581 58.000 -0.027 0.000 1.199 250 F CB -0.762 38.212 39.000 -0.042 0.000 0.972 250 F HN -0.035 nan 8.300 nan 0.000 0.474 251 L N 1.748 122.948 121.223 -0.037 0.000 1.990 251 L HA -0.134 4.197 4.340 -0.014 0.000 0.213 251 L C -0.743 175.947 176.870 -0.300 0.000 1.072 251 L CA 2.366 57.067 54.840 -0.231 0.000 0.755 251 L CB -2.096 39.839 42.059 -0.208 0.000 0.889 251 L HN 0.060 nan 8.230 nan 0.000 0.432 252 P HA -0.152 nan 4.420 nan 0.000 0.217 252 P C 2.084 179.283 177.300 -0.168 0.000 1.150 252 P CA 1.802 64.772 63.100 -0.217 0.000 0.832 252 P CB -0.074 31.485 31.700 -0.236 0.000 0.787 253 I N -0.660 119.813 120.570 -0.162 0.000 2.202 253 I HA -0.169 3.992 4.170 -0.014 0.000 0.242 253 I C 2.534 178.563 176.117 -0.146 0.000 1.091 253 I CA 1.121 62.341 61.300 -0.133 0.000 1.368 253 I CB -0.926 37.009 38.000 -0.108 0.000 1.058 253 I HN -0.226 nan 8.210 nan 0.000 0.410 254 V N 0.136 119.901 119.914 -0.249 0.000 2.407 254 V HA -0.326 3.786 4.120 -0.014 0.000 0.248 254 V C 2.599 178.650 176.094 -0.071 0.000 1.055 254 V CA 1.694 63.892 62.300 -0.171 0.000 1.049 254 V CB -0.626 30.904 31.823 -0.488 0.000 0.662 254 V HN 0.587 nan 8.190 nan 0.000 0.455 255 C N 0.515 119.744 119.300 -0.118 0.000 2.436 255 C HA -0.096 4.355 4.460 -0.014 0.000 0.277 255 C C 2.978 177.968 174.990 0.000 0.000 1.241 255 C CA 1.078 60.065 59.018 -0.053 0.000 1.721 255 C CB -1.614 26.081 27.740 -0.076 0.000 2.043 255 C HN 0.674 nan 8.230 nan 0.000 0.472 256 G N -0.061 108.744 108.800 0.008 0.000 2.446 256 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.217 256 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.217 256 G C 1.596 176.587 174.900 0.151 0.000 1.168 256 G CA 1.044 46.207 45.100 0.105 0.000 0.771 256 G HN 0.516 nan 8.290 nan 0.000 0.551 257 M N -0.495 119.146 119.600 0.069 0.000 2.086 257 M HA 0.001 4.472 4.480 -0.014 0.000 0.261 257 M C 2.460 178.852 176.300 0.154 0.000 1.067 257 M CA 0.896 56.236 55.300 0.066 0.000 1.116 257 M CB -0.360 32.221 32.600 -0.032 0.000 1.348 257 M HN 0.134 nan 8.290 nan 0.000 0.407 258 L N -0.035 121.288 121.223 0.167 0.000 2.017 258 L HA -0.168 4.163 4.340 -0.014 0.000 0.208 258 L C 2.292 179.236 176.870 0.124 0.000 1.073 258 L CA 1.616 56.540 54.840 0.141 0.000 0.745 258 L CB -1.150 40.953 42.059 0.074 0.000 0.894 258 L HN 0.258 nan 8.230 nan 0.000 0.432 259 L N -0.664 120.630 121.223 0.118 0.000 2.141 259 L HA -0.058 4.274 4.340 -0.014 0.000 0.209 259 L C 2.416 179.451 176.870 0.276 0.000 1.094 259 L CA 1.753 56.664 54.840 0.119 0.000 0.763 259 L CB -0.782 41.243 42.059 -0.056 0.000 0.908 259 L HN 0.207 nan 8.230 nan 0.000 0.437 260 A N -1.103 121.897 122.820 0.300 0.000 1.969 260 A HA 0.272 4.583 4.320 -0.014 0.000 0.218 260 A C 1.823 179.462 177.584 0.092 0.000 1.169 260 A CA 1.181 53.318 52.037 0.166 0.000 0.635 260 A CB -0.675 18.357 19.000 0.054 0.000 0.810 260 A HN 0.785 nan 8.150 nan 0.000 0.445 261 G N -1.395 107.469 108.800 0.108 0.000 2.164 261 G HA2 -0.092 3.860 3.960 -0.014 0.000 0.154 261 G HA3 -0.092 3.860 3.960 -0.014 0.000 0.154 261 G C 0.175 175.133 174.900 0.097 0.000 1.014 261 G CA -0.057 45.096 45.100 0.089 0.000 0.683 261 G HN 1.276 nan 8.290 nan 0.000 0.500 262 I N 1.334 121.974 120.570 0.116 0.000 2.452 262 I HA 0.721 4.882 4.170 -0.014 0.000 0.287 262 I C 0.739 177.000 176.117 0.239 0.000 1.079 262 I CA -0.158 61.219 61.300 0.130 0.000 1.387 262 I CB 0.693 38.715 38.000 0.038 0.000 1.404 262 I HN 0.692 nan 8.210 nan 0.000 0.522 263 A N 6.074 129.010 122.820 0.193 0.000 2.520 263 A HA 0.278 4.590 4.320 -0.014 0.000 0.245 263 A C 1.452 179.197 177.584 0.268 0.000 1.072 263 A CA 0.091 52.234 52.037 0.177 0.000 0.761 263 A CB 0.109 19.180 19.000 0.117 0.000 1.004 263 A HN 1.443 nan 8.150 nan 0.000 0.499 264 V N 0.300 120.265 119.914 0.086 0.000 2.546 264 V HA -0.183 3.928 4.120 -0.014 0.000 0.254 264 V C 1.907 178.019 176.094 0.030 0.000 1.076 264 V CA 2.644 64.862 62.300 -0.136 0.000 1.087 264 V CB -1.972 29.737 31.823 -0.190 0.000 0.674 264 V HN 0.888 nan 8.190 nan 0.000 0.470 265 D N 0.064 120.519 120.400 0.092 0.000 2.348 265 D HA -0.052 4.580 4.640 -0.014 0.000 0.216 265 D C 1.176 177.565 176.300 0.149 0.000 0.970 265 D CA 0.616 54.675 54.000 0.099 0.000 0.889 265 D CB -0.515 40.328 40.800 0.072 0.000 0.912 265 D HN 0.552 nan 8.370 nan 0.000 0.524 266 N N 0.400 119.236 118.700 0.227 0.000 2.468 266 N HA 0.060 4.791 4.740 -0.014 0.000 0.265 266 N C 0.928 176.561 175.510 0.206 0.000 1.199 266 N CA -0.326 52.841 53.050 0.195 0.000 0.928 266 N CB 1.443 40.028 38.487 0.164 0.000 1.059 266 N HN 0.147 nan 8.380 nan 0.000 0.467 267 L N 4.669 125.966 121.223 0.124 0.000 2.349 267 L HA -0.112 4.220 4.340 -0.014 0.000 0.220 267 L C 2.402 179.320 176.870 0.079 0.000 1.130 267 L CA 0.774 55.676 54.840 0.104 0.000 0.791 267 L CB -0.408 41.696 42.059 0.075 0.000 0.918 267 L HN 0.566 nan 8.230 nan 0.000 0.444 268 I N -1.850 118.735 120.570 0.025 0.000 2.493 268 I HA -0.275 3.886 4.170 -0.014 0.000 0.254 268 I C 2.245 178.316 176.117 -0.077 0.000 1.160 268 I CA 0.925 62.183 61.300 -0.069 0.000 1.445 268 I CB -0.802 37.110 38.000 -0.147 0.000 1.086 268 I HN 0.416 nan 8.210 nan 0.000 0.433 269 Y N 0.821 121.158 120.300 0.062 0.000 2.224 269 Y HA -0.213 4.329 4.550 -0.014 0.000 0.289 269 Y C 2.457 178.467 175.900 0.182 0.000 1.146 269 Y CA 2.216 60.388 58.100 0.120 0.000 1.182 269 Y CB -0.609 37.927 38.460 0.127 0.000 0.983 269 Y HN 0.216 nan 8.280 nan 0.000 0.524 270 K N 0.983 121.531 120.400 0.246 0.000 2.103 270 K HA -0.091 4.221 4.320 -0.014 0.000 0.204 270 K C 2.320 178.967 176.600 0.078 0.000 1.052 270 K CA 1.758 58.132 56.287 0.145 0.000 0.945 270 K CB -0.325 32.234 32.500 0.098 0.000 0.722 270 K HN 0.139 nan 8.250 nan 0.000 0.443 271 K N 0.644 121.073 120.400 0.049 0.000 2.057 271 K HA -0.041 4.270 4.320 -0.014 0.000 0.206 271 K C 2.180 178.774 176.600 -0.009 0.000 1.050 271 K CA 1.780 58.061 56.287 -0.010 0.000 0.935 271 K CB -0.954 31.515 32.500 -0.050 0.000 0.715 271 K HN 0.241 nan 8.250 nan 0.000 0.439 272 I N 0.972 121.561 120.570 0.032 0.000 2.394 272 I HA -0.190 3.971 4.170 -0.014 0.000 0.251 272 I C 2.688 178.908 176.117 0.172 0.000 1.136 272 I CA 1.379 62.717 61.300 0.064 0.000 1.425 272 I CB 0.065 38.085 38.000 0.033 0.000 1.079 272 I HN 0.545 nan 8.210 nan 0.000 0.425 273 E N 0.561 120.884 120.200 0.205 0.000 2.077 273 E HA -0.252 4.090 4.350 -0.014 0.000 0.193 273 E C 1.562 178.059 176.600 -0.170 0.000 0.989 273 E CA 1.514 57.864 56.400 -0.083 0.000 0.800 273 E CB 0.101 29.661 29.700 -0.233 0.000 0.746 273 E HN 0.434 nan 8.360 nan 0.000 0.452 274 D N 0.182 120.525 120.400 -0.094 0.000 2.144 274 D HA -0.120 4.511 4.640 -0.014 0.000 0.200 274 D C 1.990 178.216 176.300 -0.122 0.000 0.978 274 D CA 0.777 54.714 54.000 -0.104 0.000 0.833 274 D CB -0.127 40.633 40.800 -0.066 0.000 0.961 274 D HN 0.279 nan 8.370 nan 0.000 0.470 275 I N 0.826 121.329 120.570 -0.112 0.000 2.252 275 I HA -0.233 3.929 4.170 -0.014 0.000 0.245 275 I C 2.320 178.315 176.117 -0.202 0.000 1.102 275 I CA 0.781 61.990 61.300 -0.151 0.000 1.385 275 I CB -0.106 37.811 38.000 -0.139 0.000 1.064 275 I HN -0.125 nan 8.210 nan 0.000 0.414 276 S N 0.533 116.143 115.700 -0.150 0.000 2.370 276 S HA -0.220 4.241 4.470 -0.014 0.000 0.226 276 S C 2.022 176.474 174.600 -0.247 0.000 1.033 276 S CA 1.556 59.664 58.200 -0.153 0.000 1.011 276 S CB -0.304 62.897 63.200 0.002 0.000 0.852 276 S HN 0.354 nan 8.310 nan 0.000 0.457 277 M N 0.567 120.008 119.600 -0.265 0.000 2.086 277 M HA -0.071 4.400 4.480 -0.014 0.000 0.261 277 M C 2.007 178.223 176.300 -0.139 0.000 1.067 277 M CA 1.408 56.572 55.300 -0.226 0.000 1.116 277 M CB -0.593 31.884 32.600 -0.206 0.000 1.348 277 M HN 0.249 nan 8.290 nan 0.000 0.407 278 L N -0.572 120.562 121.223 -0.149 0.000 2.093 278 L HA -0.179 4.152 4.340 -0.014 0.000 0.208 278 L C 2.532 179.311 176.870 -0.153 0.000 1.085 278 L CA 1.109 55.882 54.840 -0.112 0.000 0.755 278 L CB -0.444 41.534 42.059 -0.135 0.000 0.904 278 L HN 0.365 nan 8.230 nan 0.000 0.435 279 M N -0.899 118.485 119.600 -0.361 0.000 2.254 279 M HA -0.064 4.408 4.480 -0.014 0.000 0.265 279 M C 2.328 178.318 176.300 -0.517 0.000 1.066 279 M CA 1.566 56.481 55.300 -0.641 0.000 1.123 279 M CB -0.762 31.083 32.600 -1.258 0.000 1.388 279 M HN 0.352 nan 8.290 nan 0.000 0.425 280 G N 0.193 108.817 108.800 -0.293 0.000 2.421 280 G HA2 -0.235 3.716 3.960 -0.014 0.000 0.216 280 G HA3 -0.235 3.716 3.960 -0.014 0.000 0.216 280 G C 1.349 176.386 174.900 0.229 0.000 1.171 280 G CA 0.864 46.054 45.100 0.150 0.000 0.775 280 G HN 0.511 nan 8.290 nan 0.000 0.543 281 E N -0.619 119.668 120.200 0.145 0.000 2.058 281 E HA -0.231 4.111 4.350 -0.014 0.000 0.194 281 E C 2.067 178.849 176.600 0.304 0.000 0.997 281 E CA 1.129 57.651 56.400 0.204 0.000 0.801 281 E CB -0.315 29.506 29.700 0.202 0.000 0.746 281 E HN 0.552 nan 8.360 nan 0.000 0.450 282 Y N -0.018 120.398 120.300 0.192 0.000 2.145 282 Y HA -0.275 4.266 4.550 -0.014 0.000 0.286 282 Y C 2.059 178.178 175.900 0.365 0.000 1.145 282 Y CA 2.163 60.424 58.100 0.268 0.000 1.148 282 Y CB -0.491 38.029 38.460 0.100 0.000 0.981 282 Y HN 0.166 nan 8.280 nan 0.000 0.507 283 F N 0.907 121.073 119.950 0.361 0.000 2.134 283 F HA -0.189 4.329 4.527 -0.014 0.000 0.299 283 F C 2.430 178.386 175.800 0.261 0.000 1.097 283 F CA 2.077 60.315 58.000 0.396 0.000 1.264 283 F CB -0.600 38.713 39.000 0.521 0.000 1.001 283 F HN 0.148 nan 8.300 nan 0.000 0.479 284 Q N 0.839 120.783 119.800 0.240 0.000 2.079 284 Q HA -0.113 4.218 4.340 -0.014 0.000 0.200 284 Q C 2.072 178.093 176.000 0.036 0.000 0.974 284 Q CA 2.066 57.924 55.803 0.092 0.000 0.840 284 Q CB -0.539 28.287 28.738 0.146 0.000 0.898 284 Q HN 0.621 nan 8.270 nan 0.000 0.430 285 I N -0.335 120.266 120.570 0.052 0.000 2.208 285 I HA -0.307 3.855 4.170 -0.014 0.000 0.245 285 I C 2.195 178.194 176.117 -0.197 0.000 1.097 285 I CA 1.609 62.847 61.300 -0.103 0.000 1.363 285 I CB -0.310 37.370 38.000 -0.532 0.000 1.051 285 I HN 0.377 nan 8.210 nan 0.000 0.413 286 H N 0.536 119.416 119.070 -0.316 0.000 2.387 286 H HA -0.228 4.319 4.556 -0.014 0.000 0.299 286 H C 1.844 176.894 175.328 -0.464 0.000 1.090 286 H CA 2.201 57.914 56.048 -0.558 0.000 1.332 286 H CB -0.123 29.113 29.762 -0.878 0.000 1.386 286 H HN 0.327 nan 8.280 nan 0.000 0.516 287 D N -0.687 119.456 120.400 -0.428 0.000 2.144 287 D HA -0.140 4.491 4.640 -0.014 0.000 0.199 287 D C 1.471 177.607 176.300 -0.274 0.000 0.984 287 D CA 1.511 55.282 54.000 -0.381 0.000 0.834 287 D CB -0.087 40.517 40.800 -0.327 0.000 0.955 287 D HN 0.420 nan 8.370 nan 0.000 0.465 288 D N -1.010 119.282 120.400 -0.180 0.000 2.144 288 D HA -0.161 4.470 4.640 -0.014 0.000 0.200 288 D C 1.594 177.775 176.300 -0.198 0.000 0.978 288 D CA 0.655 54.590 54.000 -0.108 0.000 0.833 288 D CB -0.496 40.327 40.800 0.038 0.000 0.961 288 D HN 0.390 nan 8.370 nan 0.000 0.470 289 Y N 1.357 121.403 120.300 -0.423 0.000 2.145 289 Y HA -0.135 4.406 4.550 -0.014 0.000 0.286 289 Y C 2.076 177.722 175.900 -0.422 0.000 1.145 289 Y CA 1.320 59.139 58.100 -0.468 0.000 1.148 289 Y CB -0.400 37.440 38.460 -1.033 0.000 0.981 289 Y HN -0.099 nan 8.280 nan 0.000 0.507 290 L N 0.230 121.123 121.223 -0.550 0.000 2.046 290 L HA -0.248 4.083 4.340 -0.014 0.000 0.208 290 L C 2.475 179.117 176.870 -0.379 0.000 1.077 290 L CA 1.778 56.323 54.840 -0.491 0.000 0.747 290 L CB -0.730 41.071 42.059 -0.429 0.000 0.896 290 L HN 0.374 nan 8.230 nan 0.000 0.432 291 D N 0.312 120.520 120.400 -0.321 0.000 2.133 291 D HA -0.239 4.392 4.640 -0.014 0.000 0.195 291 D C 2.045 178.171 176.300 -0.289 0.000 0.997 291 D CA 2.320 56.177 54.000 -0.238 0.000 0.840 291 D CB 0.404 41.101 40.800 -0.172 0.000 0.947 291 D HN 0.326 nan 8.370 nan 0.000 0.452 292 I N -0.814 119.470 120.570 -0.476 0.000 2.729 292 I HA 0.112 4.273 4.170 -0.014 0.000 0.256 292 I C 1.178 176.904 176.117 -0.652 0.000 1.115 292 I CA 0.591 61.520 61.300 -0.618 0.000 1.446 292 I CB -0.597 36.884 38.000 -0.865 0.000 1.176 292 I HN -0.162 nan 8.210 nan 0.000 0.446 305 D N 2.687 123.058 120.400 -0.049 0.000 2.123 305 D HA 0.035 4.667 4.640 -0.014 0.000 0.196 305 D C 1.745 177.998 176.300 -0.079 0.000 0.992 305 D CA 1.584 55.576 54.000 -0.013 0.000 0.833 305 D CB -0.348 40.475 40.800 0.039 0.000 0.954 305 D HN 0.546 nan 8.370 nan 0.000 0.455 306 I N 0.531 120.984 120.570 -0.195 0.000 2.142 306 I HA -0.304 3.857 4.170 -0.014 0.000 0.240 306 I C 2.317 178.092 176.117 -0.571 0.000 1.078 306 I CA 1.174 62.118 61.300 -0.593 0.000 1.343 306 I CB -0.250 37.518 38.000 -0.386 0.000 1.046 306 I HN -0.104 nan 8.210 nan 0.000 0.405 307 Q N 0.674 120.303 119.800 -0.285 0.000 2.124 307 Q HA -0.148 4.184 4.340 -0.014 0.000 0.202 307 Q C 1.526 177.442 176.000 -0.139 0.000 0.977 307 Q CA 1.254 56.943 55.803 -0.190 0.000 0.850 307 Q CB -0.309 28.362 28.738 -0.112 0.000 0.901 307 Q HN 0.403 nan 8.270 nan 0.000 0.429 308 N N 0.599 119.236 118.700 -0.106 0.000 2.383 308 N HA -0.017 4.715 4.740 -0.014 0.000 0.192 308 N C -0.434 175.080 175.510 0.006 0.000 1.141 308 N CA 0.187 53.212 53.050 -0.041 0.000 0.851 308 N CB 0.089 38.562 38.487 -0.023 0.000 0.976 308 N HN 0.210 nan 8.380 nan 0.000 0.465 309 N N 0.758 119.454 118.700 -0.007 0.000 2.740 309 N HA -0.179 4.552 4.740 -0.014 0.000 0.248 309 N C -1.120 174.641 175.510 0.419 0.000 1.062 309 N CA 0.609 53.800 53.050 0.235 0.000 0.704 309 N CB -0.620 37.999 38.487 0.221 0.000 0.968 309 N HN 0.086 nan 8.380 nan 0.000 0.547 310 K N 0.421 121.028 120.400 0.344 0.000 2.174 310 K HA 0.260 4.571 4.320 -0.014 0.000 0.275 310 K C 0.144 176.896 176.600 0.252 0.000 1.015 310 K CA -0.827 55.580 56.287 0.199 0.000 0.933 310 K CB 0.975 33.542 32.500 0.110 0.000 1.025 310 K HN 0.242 nan 8.250 nan 0.000 0.463 311 L N 3.262 124.450 121.223 -0.059 0.000 2.433 311 L HA 0.080 4.412 4.340 -0.014 0.000 0.284 311 L C 0.090 177.041 176.870 0.135 0.000 1.120 311 L CA 0.476 55.278 54.840 -0.064 0.000 0.879 311 L CB -0.262 41.606 42.059 -0.318 0.000 1.232 311 L HN 0.714 nan 8.230 nan 0.000 0.454 312 T N 0.183 114.805 114.554 0.114 0.000 2.950 312 T HA 0.206 4.548 4.350 -0.014 0.000 0.288 312 T C 0.561 175.170 174.700 -0.152 0.000 1.035 312 T CA -0.576 61.599 62.100 0.124 0.000 1.028 312 T CB 0.747 69.689 68.868 0.123 0.000 1.109 312 T HN 0.685 nan 8.240 nan 0.000 0.514 313 W N 1.703 122.740 121.300 -0.438 0.000 2.355 313 W HA 0.096 4.747 4.660 -0.014 0.000 0.309 313 W C -1.446 174.853 176.519 -0.366 0.000 1.206 313 W CA 1.405 58.375 57.345 -0.626 0.000 1.284 313 W CB -1.285 27.853 29.460 -0.537 0.000 1.145 313 W HN 0.633 nan 8.180 nan 0.000 0.502 314 P HA -0.223 nan 4.420 nan 0.000 0.216 314 P C 1.781 178.747 177.300 -0.557 0.000 1.150 314 P CA 1.728 64.541 63.100 -0.479 0.000 0.837 314 P CB -0.380 30.920 31.700 -0.666 0.000 0.786 315 L N -0.836 120.206 121.223 -0.302 0.000 2.017 315 L HA -0.125 4.206 4.340 -0.014 0.000 0.208 315 L C 2.196 178.929 176.870 -0.228 0.000 1.073 315 L CA 1.796 56.556 54.840 -0.134 0.000 0.745 315 L CB -1.073 40.867 42.059 -0.199 0.000 0.894 315 L HN -0.154 nan 8.230 nan 0.000 0.432 316 I N -0.996 119.355 120.570 -0.365 0.000 2.226 316 I HA -0.305 3.857 4.170 -0.014 0.000 0.245 316 I C 2.734 178.600 176.117 -0.417 0.000 1.100 316 I CA 1.351 62.430 61.300 -0.368 0.000 1.374 316 I CB -0.539 37.196 38.000 -0.442 0.000 1.057 316 I HN 0.113 nan 8.210 nan 0.000 0.413 317 K N 0.345 120.315 120.400 -0.717 0.000 2.002 317 K HA -0.169 4.143 4.320 -0.014 0.000 0.209 317 K C 2.230 178.559 176.600 -0.452 0.000 1.048 317 K CA 2.170 58.019 56.287 -0.730 0.000 0.930 317 K CB -0.938 30.860 32.500 -1.170 0.000 0.714 317 K HN 0.454 nan 8.250 nan 0.000 0.438 318 T N 0.173 114.520 114.554 -0.346 0.000 2.699 318 T HA -0.108 4.233 4.350 -0.014 0.000 0.268 318 T C 1.546 176.061 174.700 -0.307 0.000 1.036 318 T CA 1.851 63.794 62.100 -0.262 0.000 1.147 318 T CB -0.482 68.417 68.868 0.050 0.000 0.862 318 T HN 0.382 nan 8.240 nan 0.000 0.446 319 F N 2.057 121.818 119.950 -0.315 0.000 2.216 319 F HA -0.078 4.441 4.527 -0.014 0.000 0.300 319 F C 2.403 178.052 175.800 -0.251 0.000 1.085 319 F CA 1.403 59.243 58.000 -0.266 0.000 1.326 319 F CB -0.139 38.730 39.000 -0.218 0.000 1.027 319 F HN 0.377 nan 8.300 nan 0.000 0.497 320 E N -1.011 119.115 120.200 -0.123 0.000 2.216 320 E HA -0.137 4.204 4.350 -0.014 0.000 0.192 320 E C 1.682 178.166 176.600 -0.192 0.000 0.988 320 E CA 1.007 57.327 56.400 -0.134 0.000 0.834 320 E CB -0.454 29.179 29.700 -0.112 0.000 0.772 320 E HN 0.346 nan 8.360 nan 0.000 0.479 321 L N 1.199 122.255 121.223 -0.277 0.000 2.554 321 L HA 0.186 4.517 4.340 -0.014 0.000 0.225 321 L C 0.743 177.384 176.870 -0.381 0.000 1.104 321 L CA 0.116 54.797 54.840 -0.265 0.000 0.866 321 L CB 0.527 42.410 42.059 -0.292 0.000 1.047 321 L HN 0.453 nan 8.230 nan 0.000 0.468 322 C N -1.493 117.449 119.300 -0.597 0.000 2.358 322 C HA 0.762 5.213 4.460 -0.014 0.000 0.354 322 C C 1.192 176.004 174.990 -0.297 0.000 1.183 322 C CA -1.102 57.522 59.018 -0.656 0.000 2.150 322 C CB 0.805 27.972 27.740 -0.954 0.000 2.361 322 C HN 0.470 nan 8.230 nan 0.000 0.535 323 S N 1.527 117.166 115.700 -0.101 0.000 2.589 323 S HA 0.155 4.617 4.470 -0.014 0.000 0.265 323 S C 0.922 175.437 174.600 -0.142 0.000 1.342 323 S CA 0.122 58.279 58.200 -0.072 0.000 1.005 323 S CB 0.536 63.745 63.200 0.015 0.000 0.909 323 S HN 0.863 nan 8.310 nan 0.000 0.555 324 E N 1.450 121.579 120.200 -0.118 0.000 2.085 324 E HA -0.069 4.272 4.350 -0.014 0.000 0.194 324 E C -0.514 176.029 176.600 -0.096 0.000 0.994 324 E CA 1.474 57.799 56.400 -0.125 0.000 0.801 324 E CB -2.037 27.613 29.700 -0.084 0.000 0.743 324 E HN 0.616 nan 8.360 nan 0.000 0.453 325 P HA -0.086 nan 4.420 nan 0.000 0.218 325 P C 0.843 178.122 177.300 -0.035 0.000 1.149 325 P CA 1.163 64.242 63.100 -0.035 0.000 0.817 325 P CB 0.054 31.745 31.700 -0.016 0.000 0.785 326 D N -0.735 119.641 120.400 -0.040 0.000 2.224 326 D HA -0.070 4.562 4.640 -0.014 0.000 0.205 326 D C 1.770 178.013 176.300 -0.095 0.000 0.965 326 D CA 0.859 54.843 54.000 -0.027 0.000 0.852 326 D CB -0.153 40.675 40.800 0.047 0.000 0.947 326 D HN 0.221 nan 8.370 nan 0.000 0.494 327 K N 0.414 120.694 120.400 -0.200 0.000 2.057 327 K HA -0.062 4.250 4.320 -0.014 0.000 0.206 327 K C 2.250 178.828 176.600 -0.036 0.000 1.050 327 K CA 0.719 56.840 56.287 -0.278 0.000 0.935 327 K CB -0.066 32.138 32.500 -0.493 0.000 0.715 327 K HN 0.068 nan 8.250 nan 0.000 0.439 328 I N 1.418 121.965 120.570 -0.039 0.000 2.286 328 I HA -0.192 3.970 4.170 -0.014 0.000 0.248 328 I C 2.420 178.542 176.117 0.008 0.000 1.115 328 I CA 1.223 62.521 61.300 -0.003 0.000 1.392 328 I CB -0.678 37.313 38.000 -0.015 0.000 1.065 328 I HN 0.285 nan 8.210 nan 0.000 0.418 329 K N 0.724 121.125 120.400 0.002 0.000 2.097 329 K HA -0.177 4.135 4.320 -0.014 0.000 0.206 329 K C 2.280 178.896 176.600 0.027 0.000 1.049 329 K CA 1.922 58.215 56.287 0.010 0.000 0.933 329 K CB -0.368 32.137 32.500 0.009 0.000 0.717 329 K HN 0.497 nan 8.250 nan 0.000 0.442 330 I N -0.152 120.445 120.570 0.045 0.000 2.163 330 I HA -0.161 4.000 4.170 -0.014 0.000 0.240 330 I C 2.305 178.470 176.117 0.079 0.000 1.081 330 I CA 1.707 63.055 61.300 0.079 0.000 1.353 330 I CB -1.184 36.895 38.000 0.132 0.000 1.054 330 I HN 0.053 nan 8.210 nan 0.000 0.407 331 V N 1.561 121.512 119.914 0.062 0.000 2.392 331 V HA -0.271 3.841 4.120 -0.014 0.000 0.249 331 V C 3.092 179.194 176.094 0.013 0.000 1.059 331 V CA 2.774 65.082 62.300 0.013 0.000 1.051 331 V CB -1.596 30.234 31.823 0.012 0.000 0.658 331 V HN 0.889 nan 8.190 nan 0.000 0.455 332 K N -0.381 120.031 120.400 0.020 0.000 2.243 332 K HA -0.022 4.290 4.320 -0.014 0.000 0.201 332 K C 1.622 178.230 176.600 0.013 0.000 1.051 332 K CA 1.351 57.644 56.287 0.010 0.000 0.970 332 K CB -0.445 32.057 32.500 0.005 0.000 0.755 332 K HN 0.653 nan 8.250 nan 0.000 0.465 333 N N -1.697 117.021 118.700 0.029 0.000 2.273 333 N HA 0.082 4.813 4.740 -0.014 0.000 0.192 333 N C -0.588 174.935 175.510 0.023 0.000 1.132 333 N CA -0.225 52.833 53.050 0.013 0.000 0.887 333 N CB 0.480 38.966 38.487 -0.001 0.000 1.048 333 N HN 0.446 nan 8.380 nan 0.000 0.490 334 Y N 1.364 121.631 120.300 -0.056 0.000 2.319 334 Y HA 0.334 4.875 4.550 -0.014 0.000 0.328 334 Y C 1.353 177.229 175.900 -0.040 0.000 1.133 334 Y CA 0.869 58.939 58.100 -0.050 0.000 1.265 334 Y CB 0.837 39.266 38.460 -0.052 0.000 1.218 334 Y HN 0.313 nan 8.280 nan 0.000 0.508 335 G N 3.506 112.118 108.800 -0.313 0.000 2.149 335 G HA2 -0.253 3.698 3.960 -0.014 0.000 0.235 335 G HA3 -0.253 3.698 3.960 -0.014 0.000 0.235 335 G C -0.386 174.457 174.900 -0.095 0.000 1.018 335 G CA -0.075 44.940 45.100 -0.142 0.000 0.728 335 G HN 0.524 nan 8.290 nan 0.000 0.508 336 K N -0.116 120.209 120.400 -0.124 0.000 2.345 336 K HA 0.329 4.641 4.320 -0.014 0.000 0.255 336 K C 0.096 176.645 176.600 -0.085 0.000 0.934 336 K CA -0.904 55.336 56.287 -0.079 0.000 0.801 336 K CB 1.022 33.488 32.500 -0.057 0.000 1.137 336 K HN 0.041 nan 8.250 nan 0.000 0.424 337 N N 2.576 121.241 118.700 -0.059 0.000 2.652 337 N HA -0.037 4.695 4.740 -0.014 0.000 0.259 337 N C -0.895 174.591 175.510 -0.041 0.000 1.240 337 N CA 0.204 53.224 53.050 -0.050 0.000 0.951 337 N CB 0.051 38.518 38.487 -0.034 0.000 1.281 337 N HN 0.505 nan 8.380 nan 0.000 0.507 338 N N 0.421 119.093 118.700 -0.047 0.000 2.372 338 N HA 0.137 4.868 4.740 -0.014 0.000 0.285 338 N C 1.363 176.846 175.510 -0.046 0.000 1.008 338 N CA -0.169 52.858 53.050 -0.039 0.000 0.880 338 N CB 1.694 40.160 38.487 -0.034 0.000 1.239 338 N HN -0.109 nan 8.380 nan 0.000 0.484 339 L N 3.348 124.548 121.223 -0.038 0.000 2.079 339 L HA -0.117 4.214 4.340 -0.014 0.000 0.210 339 L C 2.628 179.474 176.870 -0.040 0.000 1.081 339 L CA 2.697 57.514 54.840 -0.039 0.000 0.752 339 L CB -1.946 40.096 42.059 -0.028 0.000 0.896 339 L HN 0.804 nan 8.230 nan 0.000 0.433 340 A N -1.568 121.232 122.820 -0.034 0.000 1.902 340 A HA -0.215 4.096 4.320 -0.014 0.000 0.217 340 A C 2.583 180.144 177.584 -0.039 0.000 1.181 340 A CA 1.729 53.747 52.037 -0.031 0.000 0.623 340 A CB -1.237 17.749 19.000 -0.024 0.000 0.818 340 A HN 0.748 nan 8.150 nan 0.000 0.443 341 C N -1.073 118.201 119.300 -0.045 0.000 2.413 341 C HA -0.081 4.370 4.460 -0.014 0.000 0.276 341 C C 2.737 177.681 174.990 -0.077 0.000 1.236 341 C CA 1.131 60.117 59.018 -0.053 0.000 1.735 341 C CB -1.329 26.378 27.740 -0.055 0.000 2.031 341 C HN 0.468 nan 8.230 nan 0.000 0.474 342 V N 1.445 121.304 119.914 -0.092 0.000 2.358 342 V HA -0.143 3.969 4.120 -0.014 0.000 0.246 342 V C 2.863 178.896 176.094 -0.102 0.000 1.047 342 V CA 2.511 64.740 62.300 -0.118 0.000 1.035 342 V CB -1.317 30.439 31.823 -0.112 0.000 0.658 342 V HN 0.689 nan 8.190 nan 0.000 0.452 343 K N -0.052 120.306 120.400 -0.070 0.000 2.103 343 K HA -0.176 4.135 4.320 -0.014 0.000 0.207 343 K C 2.207 178.773 176.600 -0.056 0.000 1.048 343 K CA 1.961 58.217 56.287 -0.052 0.000 0.930 343 K CB -1.229 31.250 32.500 -0.035 0.000 0.716 343 K HN 0.371 nan 8.250 nan 0.000 0.444 344 V N 0.825 120.704 119.914 -0.058 0.000 2.307 344 V HA -0.235 3.877 4.120 -0.014 0.000 0.245 344 V C 2.560 178.601 176.094 -0.089 0.000 1.045 344 V CA 1.875 64.144 62.300 -0.051 0.000 1.024 344 V CB -0.378 31.424 31.823 -0.035 0.000 0.651 344 V HN 0.543 nan 8.190 nan 0.000 0.449 345 I N -0.102 120.382 120.570 -0.143 0.000 2.252 345 I HA -0.177 3.985 4.170 -0.014 0.000 0.245 345 I C 2.316 178.137 176.117 -0.493 0.000 1.102 345 I CA 1.379 62.502 61.300 -0.296 0.000 1.385 345 I CB -1.180 36.687 38.000 -0.222 0.000 1.064 345 I HN 0.486 nan 8.210 nan 0.000 0.414 346 D N 0.446 120.686 120.400 -0.266 0.000 2.123 346 D HA -0.137 4.495 4.640 -0.014 0.000 0.196 346 D C 2.462 178.762 176.300 -0.000 0.000 0.992 346 D CA 1.776 55.702 54.000 -0.122 0.000 0.833 346 D CB -0.329 40.445 40.800 -0.044 0.000 0.954 346 D HN 0.356 nan 8.370 nan 0.000 0.455 347 S N -0.032 115.659 115.700 -0.016 0.000 2.383 347 S HA -0.048 4.413 4.470 -0.014 0.000 0.227 347 S C 2.130 176.771 174.600 0.069 0.000 1.026 347 S CA 0.396 58.615 58.200 0.031 0.000 0.981 347 S CB -0.100 63.104 63.200 0.007 0.000 0.818 347 S HN 0.228 nan 8.310 nan 0.000 0.472 348 L N -0.021 121.231 121.223 0.048 0.000 2.141 348 L HA -0.086 4.245 4.340 -0.014 0.000 0.209 348 L C 2.134 179.233 176.870 0.381 0.000 1.094 348 L CA 0.981 55.931 54.840 0.184 0.000 0.763 348 L CB -0.459 41.675 42.059 0.124 0.000 0.908 348 L HN 0.295 nan 8.230 nan 0.000 0.437 349 Y N -0.164 120.274 120.300 0.231 0.000 2.314 349 Y HA -0.195 4.347 4.550 -0.014 0.000 0.293 349 Y C 2.583 178.657 175.900 0.290 0.000 1.129 349 Y CA 0.814 59.096 58.100 0.305 0.000 1.201 349 Y CB -0.549 38.129 38.460 0.363 0.000 0.999 349 Y HN 0.235 nan 8.280 nan 0.000 0.541 350 E N -0.114 120.301 120.200 0.358 0.000 2.072 350 E HA -0.188 4.154 4.350 -0.014 0.000 0.190 350 E C 2.328 178.996 176.600 0.114 0.000 0.982 350 E CA 0.949 57.467 56.400 0.197 0.000 0.803 350 E CB -0.052 29.733 29.700 0.143 0.000 0.755 350 E HN 0.414 nan 8.360 nan 0.000 0.453 351 Q N -0.479 119.367 119.800 0.076 0.000 2.030 351 Q HA -0.189 4.143 4.340 -0.014 0.000 0.204 351 Q C 0.947 176.841 176.000 -0.177 0.000 0.986 351 Q CA 1.492 57.239 55.803 -0.093 0.000 0.843 351 Q CB -0.095 28.533 28.738 -0.183 0.000 0.904 351 Q HN 0.433 nan 8.270 nan 0.000 0.420 352 Y N 0.488 120.848 120.300 0.100 0.000 2.465 352 Y HA 0.114 4.656 4.550 -0.014 0.000 0.311 352 Y C 0.919 176.898 175.900 0.131 0.000 1.204 352 Y CA 0.613 58.758 58.100 0.075 0.000 1.272 352 Y CB -0.284 38.185 38.460 0.015 0.000 1.083 352 Y HN 0.151 nan 8.280 nan 0.000 0.508 353 K N -0.072 120.463 120.400 0.225 0.000 3.356 353 K HA -0.276 4.036 4.320 -0.014 0.000 0.270 353 K C 1.019 177.826 176.600 0.345 0.000 0.901 353 K CA 1.167 57.582 56.287 0.213 0.000 0.688 353 K CB -2.929 29.673 32.500 0.170 0.000 1.460 353 K HN 0.669 nan 8.250 nan 0.000 0.458 354 I N -0.150 120.587 120.570 0.279 0.000 2.335 354 I HA -0.003 4.158 4.170 -0.014 0.000 0.251 354 I C 2.968 179.284 176.117 0.332 0.000 1.129 354 I CA 3.382 64.866 61.300 0.307 0.000 1.402 354 I CB -1.743 36.429 38.000 0.287 0.000 1.069 354 I HN 1.327 nan 8.210 nan 0.000 0.424 355 R N 0.680 121.167 120.500 -0.021 0.000 2.091 355 R HA -0.150 4.182 4.340 -0.014 0.000 0.238 355 R C 2.632 179.038 176.300 0.177 0.000 1.136 355 R CA 2.968 59.075 56.100 0.012 0.000 0.959 355 R CB -1.775 28.360 30.300 -0.276 0.000 0.856 355 R HN 0.944 nan 8.270 nan 0.000 0.437 356 K N 0.284 120.756 120.400 0.121 0.000 2.097 356 K HA -0.110 4.202 4.320 -0.014 0.000 0.205 356 K C 2.159 178.768 176.600 0.015 0.000 1.050 356 K CA 1.715 58.019 56.287 0.027 0.000 0.938 356 K CB -0.735 31.731 32.500 -0.057 0.000 0.718 356 K HN 0.852 nan 8.250 nan 0.000 0.442 357 H N -1.829 117.364 119.070 0.204 0.000 2.457 357 H HA 0.033 4.580 4.556 -0.014 0.000 0.294 357 H C 1.957 177.544 175.328 0.433 0.000 1.064 357 H CA 1.678 57.910 56.048 0.306 0.000 1.330 357 H CB -0.178 29.775 29.762 0.319 0.000 1.395 357 H HN 0.648 nan 8.280 nan 0.000 0.541 358 Y N 1.709 122.232 120.300 0.372 0.000 2.163 358 Y HA -0.208 4.333 4.550 -0.014 0.000 0.288 358 Y C 2.356 178.208 175.900 -0.079 0.000 1.136 358 Y CA 1.548 59.648 58.100 -0.000 0.000 1.147 358 Y CB -0.404 37.992 38.460 -0.107 0.000 0.987 358 Y HN 0.003 nan 8.280 nan 0.000 0.509 359 E N -0.534 119.480 120.200 -0.310 0.000 2.085 359 E HA -0.256 4.086 4.350 -0.014 0.000 0.194 359 E C 2.512 178.965 176.600 -0.245 0.000 0.994 359 E CA 1.208 57.408 56.400 -0.333 0.000 0.801 359 E CB -1.035 28.594 29.700 -0.119 0.000 0.743 359 E HN 0.620 nan 8.360 nan 0.000 0.453 360 S N -0.847 114.785 115.700 -0.113 0.000 2.368 360 S HA -0.180 4.282 4.470 -0.014 0.000 0.224 360 S C 1.880 176.441 174.600 -0.065 0.000 1.029 360 S CA 1.465 59.629 58.200 -0.060 0.000 0.988 360 S CB -0.478 62.722 63.200 -0.000 0.000 0.838 360 S HN 0.617 nan 8.310 nan 0.000 0.462 361 Y N 1.900 122.114 120.300 -0.144 0.000 2.133 361 Y HA -0.006 4.535 4.550 -0.014 0.000 0.287 361 Y C 2.442 178.198 175.900 -0.240 0.000 1.134 361 Y CA 2.238 60.238 58.100 -0.168 0.000 1.133 361 Y CB -0.674 37.601 38.460 -0.308 0.000 0.987 361 Y HN 0.315 nan 8.280 nan 0.000 0.502 362 E N 0.478 120.382 120.200 -0.493 0.000 2.130 362 E HA -0.300 4.041 4.350 -0.014 0.000 0.196 362 E C 2.314 178.789 176.600 -0.209 0.000 0.998 362 E CA 2.221 58.373 56.400 -0.414 0.000 0.806 362 E CB -0.087 29.232 29.700 -0.636 0.000 0.738 362 E HN 0.587 nan 8.360 nan 0.000 0.459 363 K N 0.413 120.678 120.400 -0.224 0.000 2.031 363 K HA 0.079 4.391 4.320 -0.014 0.000 0.205 363 K C 2.107 178.604 176.600 -0.171 0.000 1.049 363 K CA 1.293 57.488 56.287 -0.152 0.000 0.939 363 K CB -0.937 31.489 32.500 -0.124 0.000 0.717 363 K HN 0.275 nan 8.250 nan 0.000 0.438 364 A N 0.437 123.128 122.820 -0.215 0.000 1.930 364 A HA -0.155 4.156 4.320 -0.014 0.000 0.217 364 A C 2.385 179.817 177.584 -0.254 0.000 1.175 364 A CA 2.085 54.002 52.037 -0.200 0.000 0.627 364 A CB -0.326 18.576 19.000 -0.164 0.000 0.815 364 A HN 0.592 nan 8.150 nan 0.000 0.443 365 Q N -0.001 119.551 119.800 -0.414 0.000 2.083 365 Q HA -0.081 4.250 4.340 -0.014 0.000 0.198 365 Q C 2.010 177.851 176.000 -0.267 0.000 0.969 365 Q CA 2.028 57.615 55.803 -0.361 0.000 0.838 365 Q CB -0.288 28.134 28.738 -0.527 0.000 0.900 365 Q HN 0.641 nan 8.270 nan 0.000 0.436 366 K N -0.644 119.608 120.400 -0.246 0.000 2.074 366 K HA -0.199 4.112 4.320 -0.014 0.000 0.209 366 K C 1.835 178.282 176.600 -0.255 0.000 1.048 366 K CA 1.434 57.524 56.287 -0.327 0.000 0.926 366 K CB -0.310 32.073 32.500 -0.195 0.000 0.713 366 K HN 0.269 nan 8.250 nan 0.000 0.444 367 A N 1.262 123.971 122.820 -0.186 0.000 1.877 367 A HA -0.194 4.117 4.320 -0.014 0.000 0.216 367 A C 2.040 179.539 177.584 -0.141 0.000 1.186 367 A CA 1.752 53.702 52.037 -0.144 0.000 0.620 367 A CB -0.502 18.430 19.000 -0.114 0.000 0.822 367 A HN 0.351 nan 8.150 nan 0.000 0.443 368 K N -0.479 119.833 120.400 -0.147 0.000 2.103 368 K HA -0.165 4.147 4.320 -0.014 0.000 0.207 368 K C 2.036 178.551 176.600 -0.143 0.000 1.048 368 K CA 1.733 57.945 56.287 -0.124 0.000 0.930 368 K CB -0.546 31.887 32.500 -0.112 0.000 0.716 368 K HN 0.440 nan 8.250 nan 0.000 0.444 369 I N 0.387 120.838 120.570 -0.199 0.000 2.277 369 I HA -0.082 4.080 4.170 -0.014 0.000 0.243 369 I C 2.237 178.234 176.117 -0.199 0.000 1.094 369 I CA 1.194 62.358 61.300 -0.226 0.000 1.393 369 I CB -1.014 36.785 38.000 -0.335 0.000 1.078 369 I HN 0.146 nan 8.210 nan 0.000 0.417 370 L N 0.505 121.610 121.223 -0.196 0.000 2.043 370 L HA -0.271 4.060 4.340 -0.014 0.000 0.212 370 L C 2.973 179.774 176.870 -0.116 0.000 1.075 370 L CA 2.123 56.871 54.840 -0.153 0.000 0.752 370 L CB -0.530 41.447 42.059 -0.138 0.000 0.891 370 L HN 0.641 nan 8.230 nan 0.000 0.432 371 S N -0.297 115.339 115.700 -0.107 0.000 2.356 371 S HA -0.178 4.283 4.470 -0.014 0.000 0.223 371 S C 2.108 176.657 174.600 -0.086 0.000 1.032 371 S CA 1.232 59.383 58.200 -0.081 0.000 1.005 371 S CB -0.084 63.074 63.200 -0.071 0.000 0.867 371 S HN 0.429 nan 8.310 nan 0.000 0.449 372 A N 0.840 123.598 122.820 -0.104 0.000 1.930 372 A HA 0.042 4.353 4.320 -0.014 0.000 0.217 372 A C 2.381 179.890 177.584 -0.125 0.000 1.175 372 A CA 1.553 53.525 52.037 -0.109 0.000 0.627 372 A CB -0.905 18.026 19.000 -0.114 0.000 0.815 372 A HN 0.534 nan 8.150 nan 0.000 0.443 373 I N 0.942 121.435 120.570 -0.129 0.000 2.226 373 I HA -0.182 3.979 4.170 -0.014 0.000 0.245 373 I C 2.128 178.181 176.117 -0.107 0.000 1.100 373 I CA 1.488 62.713 61.300 -0.125 0.000 1.374 373 I CB -1.568 36.353 38.000 -0.131 0.000 1.057 373 I HN 0.519 nan 8.210 nan 0.000 0.413 374 N N 0.627 119.274 118.700 -0.088 0.000 2.459 374 N HA -0.102 4.630 4.740 -0.014 0.000 0.181 374 N C 1.736 177.195 175.510 -0.085 0.000 1.046 374 N CA 1.314 54.331 53.050 -0.055 0.000 0.904 374 N CB -0.186 38.284 38.487 -0.028 0.000 0.964 374 N HN 0.766 nan 8.380 nan 0.000 0.444 375 E N 0.614 120.716 120.200 -0.163 0.000 2.489 375 E HA 0.127 4.468 4.350 -0.014 0.000 0.193 375 E C 2.032 178.230 176.600 -0.669 0.000 1.057 375 E CA -0.078 56.137 56.400 -0.308 0.000 0.866 375 E CB -0.505 29.101 29.700 -0.156 0.000 0.916 375 E HN 0.269 nan 8.360 nan 0.000 0.500 376 L N -0.663 120.300 121.223 -0.433 0.000 2.072 376 L HA 0.016 4.347 4.340 -0.014 0.000 0.205 376 L C 0.443 177.121 176.870 -0.321 0.000 1.079 376 L CA 1.392 56.039 54.840 -0.323 0.000 0.752 376 L CB -0.370 41.606 42.059 -0.138 0.000 0.906 376 L HN 0.688 nan 8.230 nan 0.000 0.436 377 H N -1.920 117.170 119.070 0.034 0.000 2.889 377 H HA -0.182 4.366 4.556 -0.014 0.000 0.324 377 H C -0.210 175.162 175.328 0.074 0.000 1.274 377 H CA 0.239 56.307 56.048 0.033 0.000 1.176 377 H CB -2.097 27.673 29.762 0.014 0.000 1.479 377 H HN 0.340 nan 8.280 nan 0.000 0.438 378 H N -0.345 118.752 119.070 0.046 0.000 3.221 378 H HA 0.283 4.830 4.556 -0.014 0.000 0.324 378 H C 0.805 176.150 175.328 0.029 0.000 1.212 378 H CA 0.582 56.645 56.048 0.025 0.000 1.624 378 H CB 0.332 30.088 29.762 -0.010 0.000 1.899 378 H HN 0.567 nan 8.280 nan 0.000 0.538 379 E N 2.863 123.118 120.200 0.091 0.000 2.097 379 E HA -0.172 4.169 4.350 -0.014 0.000 0.196 379 E C 1.939 178.677 176.600 0.230 0.000 1.000 379 E CA 1.715 58.184 56.400 0.116 0.000 0.804 379 E CB -0.757 28.965 29.700 0.037 0.000 0.740 379 E HN 0.788 nan 8.360 nan 0.000 0.454 380 G N 0.372 109.377 108.800 0.342 0.000 2.433 380 G HA2 -0.130 3.822 3.960 -0.014 0.000 0.216 380 G HA3 -0.130 3.822 3.960 -0.014 0.000 0.216 380 G C 1.904 177.003 174.900 0.332 0.000 1.186 380 G CA 1.133 46.497 45.100 0.441 0.000 0.779 380 G HN 0.514 nan 8.290 nan 0.000 0.543 381 I N 0.464 121.175 120.570 0.235 0.000 2.252 381 I HA -0.112 4.050 4.170 -0.014 0.000 0.245 381 I C 2.761 178.864 176.117 -0.022 0.000 1.102 381 I CA 1.093 62.368 61.300 -0.043 0.000 1.385 381 I CB -0.274 37.535 38.000 -0.319 0.000 1.064 381 I HN 0.241 nan 8.210 nan 0.000 0.414 382 E N 0.088 120.316 120.200 0.046 0.000 2.085 382 E HA -0.297 4.045 4.350 -0.014 0.000 0.194 382 E C 2.075 178.676 176.600 0.003 0.000 0.994 382 E CA 1.711 58.118 56.400 0.012 0.000 0.801 382 E CB -0.275 29.455 29.700 0.049 0.000 0.743 382 E HN 0.521 nan 8.360 nan 0.000 0.453 383 Y N 1.242 121.510 120.300 -0.054 0.000 2.145 383 Y HA -0.224 4.317 4.550 -0.014 0.000 0.286 383 Y C 2.094 177.906 175.900 -0.146 0.000 1.145 383 Y CA 1.103 59.136 58.100 -0.112 0.000 1.148 383 Y CB -0.502 37.861 38.460 -0.161 0.000 0.981 383 Y HN -0.198 nan 8.280 nan 0.000 0.507 384 V N 0.977 120.603 119.914 -0.480 0.000 2.287 384 V HA -0.341 3.771 4.120 -0.014 0.000 0.248 384 V C 2.592 178.505 176.094 -0.302 0.000 1.053 384 V CA 2.172 64.192 62.300 -0.467 0.000 1.027 384 V CB -0.879 30.802 31.823 -0.237 0.000 0.646 384 V HN 0.480 nan 8.190 nan 0.000 0.447 385 L N 0.107 121.198 121.223 -0.221 0.000 2.083 385 L HA -0.184 4.148 4.340 -0.014 0.000 0.209 385 L C 2.987 179.722 176.870 -0.226 0.000 1.083 385 L CA 2.085 56.806 54.840 -0.198 0.000 0.752 385 L CB -1.002 40.956 42.059 -0.168 0.000 0.899 385 L HN 0.450 nan 8.230 nan 0.000 0.433 386 K N -0.220 120.053 120.400 -0.212 0.000 2.057 386 K HA -0.247 4.064 4.320 -0.014 0.000 0.206 386 K C 1.923 178.406 176.600 -0.194 0.000 1.050 386 K CA 1.630 57.806 56.287 -0.184 0.000 0.935 386 K CB -1.364 31.073 32.500 -0.106 0.000 0.715 386 K HN 0.402 nan 8.250 nan 0.000 0.439 387 Y N 0.798 120.845 120.300 -0.421 0.000 2.200 387 Y HA -0.054 4.487 4.550 -0.014 0.000 0.290 387 Y C 2.089 177.814 175.900 -0.292 0.000 1.137 387 Y CA 1.525 59.379 58.100 -0.409 0.000 1.163 387 Y CB -0.378 37.658 38.460 -0.707 0.000 0.988 387 Y HN 0.151 nan 8.280 nan 0.000 0.518 388 L N 0.052 121.007 121.223 -0.448 0.000 2.012 388 L HA -0.169 4.163 4.340 -0.014 0.000 0.210 388 L C 2.223 178.877 176.870 -0.360 0.000 1.073 388 L CA 1.916 56.506 54.840 -0.416 0.000 0.748 388 L CB -1.209 40.717 42.059 -0.222 0.000 0.891 388 L HN 0.365 nan 8.230 nan 0.000 0.431 389 L N -0.363 120.663 121.223 -0.328 0.000 2.127 389 L HA -0.171 4.160 4.340 -0.014 0.000 0.211 389 L C 2.432 179.084 176.870 -0.363 0.000 1.089 389 L CA 1.699 56.324 54.840 -0.359 0.000 0.757 389 L CB -0.749 41.081 42.059 -0.382 0.000 0.899 389 L HN 0.365 nan 8.230 nan 0.000 0.434 390 E N -0.975 119.032 120.200 -0.323 0.000 2.076 390 E HA -0.086 4.255 4.350 -0.014 0.000 0.190 390 E C 2.242 178.663 176.600 -0.298 0.000 0.979 390 E CA 1.239 57.480 56.400 -0.264 0.000 0.807 390 E CB -0.278 29.325 29.700 -0.162 0.000 0.761 390 E HN 0.396 nan 8.360 nan 0.000 0.454 391 I N 1.239 121.573 120.570 -0.395 0.000 3.793 391 I HA 0.057 4.218 4.170 -0.014 0.000 0.315 391 I C 2.094 178.059 176.117 -0.253 0.000 1.275 391 I CA -0.038 61.056 61.300 -0.345 0.000 1.214 391 I CB -0.783 36.867 38.000 -0.585 0.000 1.018 391 I HN 0.171 nan 8.210 nan 0.000 0.439 392 L N -0.299 120.740 121.223 -0.306 0.000 1.978 392 L HA -0.240 4.092 4.340 -0.014 0.000 0.218 392 L C 2.364 179.285 176.870 0.085 0.000 1.075 392 L CA 2.331 57.076 54.840 -0.158 0.000 0.767 392 L CB -0.601 41.303 42.059 -0.258 0.000 0.890 392 L HN 0.341 nan 8.230 nan 0.000 0.434 393 F N -0.731 119.222 119.950 0.004 0.000 2.502 393 F HA -0.068 4.450 4.527 -0.014 0.000 0.298 393 F C 1.600 177.440 175.800 0.067 0.000 1.111 393 F CA 0.039 58.027 58.000 -0.019 0.000 1.445 393 F CB -0.367 38.489 39.000 -0.240 0.000 1.081 393 F HN 0.248 nan 8.300 nan 0.000 0.558 394 T N 0.000 114.659 114.554 0.175 0.000 3.816 394 T HA 0.000 4.342 4.350 -0.014 0.000 0.228 394 T CA 0.000 62.173 62.100 0.122 0.000 1.349 394 T CB 0.000 68.918 68.868 0.084 0.000 0.612 394 T HN 0.000 nan 8.240 nan 0.000 0.658