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 2v8g_1_B DATA FIRST_RESID 27 DATA SEQUENCE PLSIASGRLN QTILETGSQF GGVARWGQES HEFGMRRLAG TALDGAMRDW DATA SEQUENCE FTNECESLGC KVKVDKIGNM FAVYPGKNGG KPTATGSHLD TQPEAGKYDG DATA SEQUENCE ILGVLAGLEV LRTFKDNNYV PNYDVCVVVW FNEEGARFAR SCTGSSVWSH DATA SEQUENCE DLSLEEAYGL MSVGEDKPES VYDSLKNIGY IGDTPASYKE NEIDAHFELH DATA SEQUENCE IEQGPILEDE NKAIGIVTGV QAYNWQKVTV HGVGAHAGTT PWRLRKDALL DATA SEQUENCE MSSKMIVAAS EIAQRHNGLF TCGIIDAKPY SVNIIPGEVS FTLDFRHPSD DATA SEQUENCE DVLATMLKEA AAEFDRLIKI NDGGALSYES ETLQVSPAVN FHEVCIECVS DATA SEQUENCE RSAFAQFKKD QVRQIWSGAG HDSCQTAPHV PTSMIFIPSK DGLSHNYYEY DATA SEQUENCE SSPEEIENGF KVLLQAIINY DNYRVIRGHQ FP 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.303 177.300 0.006 0.000 1.155 27 P CA 0.000 63.103 63.100 0.006 0.000 0.800 27 P CB 0.000 31.717 31.700 0.028 0.000 0.726 28 L N 1.654 122.866 121.223 -0.019 0.000 2.278 28 L HA 0.406 4.800 4.340 0.091 0.000 0.287 28 L C 0.763 177.635 176.870 0.003 0.000 1.072 28 L CA -0.271 54.561 54.840 -0.014 0.000 0.819 28 L CB 1.106 43.125 42.059 -0.067 0.000 1.176 28 L HN 0.168 nan 8.230 nan 0.000 0.435 29 S N 4.499 120.215 115.700 0.026 0.000 2.584 29 S HA 0.620 5.144 4.470 0.091 0.000 0.273 29 S C -0.505 174.125 174.600 0.050 0.000 1.311 29 S CA -0.630 57.589 58.200 0.032 0.000 1.034 29 S CB 1.113 64.332 63.200 0.032 0.000 0.939 29 S HN 0.364 nan 8.310 nan 0.000 0.513 30 I N 2.026 122.631 120.570 0.058 0.000 2.509 30 I HA 0.501 4.726 4.170 0.091 0.000 0.293 30 I C 0.267 176.412 176.117 0.048 0.000 1.020 30 I CA -0.808 60.547 61.300 0.092 0.000 1.088 30 I CB 1.786 39.879 38.000 0.155 0.000 1.267 30 I HN 0.854 nan 8.210 nan 0.000 0.430 31 A N 4.158 126.990 122.820 0.020 0.000 2.545 31 A HA 0.298 4.673 4.320 0.091 0.000 0.297 31 A C 0.528 178.100 177.584 -0.019 0.000 1.340 31 A CA -0.022 52.012 52.037 -0.005 0.000 1.016 31 A CB -0.400 18.587 19.000 -0.021 0.000 1.122 31 A HN 0.680 nan 8.150 nan 0.000 0.537 32 S N 2.283 117.983 115.700 0.000 0.000 2.546 32 S HA 0.390 4.915 4.470 0.091 0.000 0.290 32 S C 1.580 176.172 174.600 -0.013 0.000 1.262 32 S CA 1.177 59.378 58.200 0.001 0.000 1.083 32 S CB -0.227 62.980 63.200 0.011 0.000 0.859 32 S HN 2.223 nan 8.310 nan 0.000 0.495 33 G N 4.736 113.522 108.800 -0.024 0.000 2.217 33 G HA2 -0.303 3.711 3.960 0.091 0.000 0.246 33 G HA3 -0.303 3.711 3.960 0.091 0.000 0.246 33 G C 0.946 175.821 174.900 -0.041 0.000 0.990 33 G CA 0.595 45.681 45.100 -0.024 0.000 0.627 33 G HN 0.706 nan 8.290 nan 0.000 0.522 34 R N -0.019 120.441 120.500 -0.066 0.000 2.066 34 R HA 0.095 4.490 4.340 0.091 0.000 0.232 34 R C 2.601 178.848 176.300 -0.088 0.000 1.131 34 R CA 1.950 58.010 56.100 -0.067 0.000 0.955 34 R CB -0.330 29.926 30.300 -0.073 0.000 0.851 34 R HN 0.588 nan 8.270 nan 0.000 0.432 35 L N 1.609 122.728 121.223 -0.173 0.000 2.012 35 L HA -0.211 4.184 4.340 0.091 0.000 0.210 35 L C 1.810 178.636 176.870 -0.073 0.000 1.073 35 L CA 2.265 56.999 54.840 -0.176 0.000 0.748 35 L CB -0.982 40.886 42.059 -0.319 0.000 0.891 35 L HN 0.255 nan 8.230 nan 0.000 0.431 36 N N -1.250 117.420 118.700 -0.051 0.000 2.084 36 N HA -0.212 4.583 4.740 0.091 0.000 0.190 36 N C 1.855 177.372 175.510 0.011 0.000 1.030 36 N CA 1.443 54.492 53.050 -0.002 0.000 0.849 36 N CB -0.147 38.341 38.487 0.001 0.000 1.012 36 N HN 0.423 nan 8.380 nan 0.000 0.423 37 Q N -0.442 119.360 119.800 0.003 0.000 2.124 37 Q HA -0.079 4.316 4.340 0.091 0.000 0.202 37 Q C 1.866 177.869 176.000 0.006 0.000 0.977 37 Q CA 1.652 57.463 55.803 0.013 0.000 0.850 37 Q CB -0.649 28.095 28.738 0.011 0.000 0.901 37 Q HN 0.510 nan 8.270 nan 0.000 0.429 38 T N 1.637 116.196 114.554 0.007 0.000 2.746 38 T HA -0.078 4.327 4.350 0.091 0.000 0.267 38 T C 2.058 176.740 174.700 -0.031 0.000 1.039 38 T CA 0.893 63.005 62.100 0.020 0.000 1.142 38 T CB -0.220 68.698 68.868 0.085 0.000 0.866 38 T HN 0.198 nan 8.240 nan 0.000 0.444 39 I N 0.906 121.458 120.570 -0.030 0.000 2.151 39 I HA -0.195 4.030 4.170 0.091 0.000 0.243 39 I C 2.310 178.378 176.117 -0.082 0.000 1.080 39 I CA 1.451 62.707 61.300 -0.073 0.000 1.339 39 I CB -0.461 37.495 38.000 -0.073 0.000 1.039 39 I HN 0.208 nan 8.210 nan 0.000 0.409 40 L N -0.005 121.205 121.223 -0.022 0.000 2.056 40 L HA -0.176 4.219 4.340 0.091 0.000 0.207 40 L C 2.476 179.391 176.870 0.075 0.000 1.078 40 L CA 1.395 56.284 54.840 0.082 0.000 0.749 40 L CB -0.640 41.495 42.059 0.128 0.000 0.901 40 L HN 0.232 nan 8.230 nan 0.000 0.433 41 E N -0.060 120.122 120.200 -0.031 0.000 2.047 41 E HA -0.197 4.208 4.350 0.091 0.000 0.191 41 E C 2.208 178.669 176.600 -0.231 0.000 0.987 41 E CA 1.947 58.276 56.400 -0.119 0.000 0.799 41 E CB -0.140 29.501 29.700 -0.098 0.000 0.752 41 E HN 0.576 nan 8.360 nan 0.000 0.449 42 T N -1.579 112.816 114.554 -0.266 0.000 2.777 42 T HA -0.083 4.322 4.350 0.091 0.000 0.266 42 T C 2.100 176.708 174.700 -0.153 0.000 1.040 42 T CA 1.100 62.997 62.100 -0.339 0.000 1.141 42 T CB -0.732 67.884 68.868 -0.419 0.000 0.868 42 T HN 0.201 nan 8.240 nan 0.000 0.444 43 G N 1.004 109.767 108.800 -0.062 0.000 2.421 43 G HA2 -0.219 3.796 3.960 0.091 0.000 0.216 43 G HA3 -0.219 3.796 3.960 0.091 0.000 0.216 43 G C 1.932 176.874 174.900 0.070 0.000 1.171 43 G CA 1.236 46.372 45.100 0.060 0.000 0.775 43 G HN 0.620 nan 8.290 nan 0.000 0.543 44 S N -0.389 115.274 115.700 -0.061 0.000 2.382 44 S HA -0.158 4.366 4.470 0.091 0.000 0.228 44 S C 2.309 176.673 174.600 -0.392 0.000 1.027 44 S CA 2.023 59.959 58.200 -0.439 0.000 0.991 44 S CB -0.242 62.626 63.200 -0.553 0.000 0.823 44 S HN 0.525 nan 8.310 nan 0.000 0.469 45 Q N -1.220 118.314 119.800 -0.443 0.000 2.250 45 Q HA 0.181 4.576 4.340 0.091 0.000 0.200 45 Q C -0.454 175.111 176.000 -0.725 0.000 0.941 45 Q CA 0.611 56.007 55.803 -0.678 0.000 0.872 45 Q CB 0.227 28.372 28.738 -0.989 0.000 0.965 45 Q HN 0.667 nan 8.270 nan 0.000 0.480 46 F N -0.456 119.414 119.950 -0.134 0.000 2.449 46 F HA 0.419 5.000 4.527 0.090 0.000 0.329 46 F C 0.538 176.308 175.800 -0.051 0.000 1.245 46 F CA -0.094 57.854 58.000 -0.087 0.000 1.193 46 F CB 1.591 40.533 39.000 -0.095 0.000 1.425 46 F HN 0.120 nan 8.300 nan 0.000 0.544 47 G N 0.327 109.172 108.800 0.076 0.000 2.175 47 G HA2 -0.155 3.859 3.960 0.091 0.000 0.182 47 G HA3 -0.155 3.860 3.960 0.091 0.000 0.182 47 G C 0.454 175.381 174.900 0.045 0.000 1.003 47 G CA -0.552 44.588 45.100 0.067 0.000 0.666 47 G HN 0.912 nan 8.290 nan 0.000 0.506 48 G N 0.140 108.941 108.800 0.001 0.000 2.313 48 G HA2 0.639 4.654 3.960 0.091 0.000 0.250 48 G HA3 0.639 4.654 3.960 0.091 0.000 0.250 48 G C 0.392 175.264 174.900 -0.047 0.000 1.281 48 G CA 0.838 45.948 45.100 0.018 0.000 0.917 48 G HN 1.654 nan 8.290 nan 0.000 0.501 49 V N -0.768 119.135 119.914 -0.019 0.000 3.167 49 V HA 0.859 5.034 4.120 0.091 0.000 0.310 49 V C 0.877 176.859 176.094 -0.187 0.000 1.207 49 V CA -0.396 61.842 62.300 -0.102 0.000 1.059 49 V CB 1.054 32.830 31.823 -0.079 0.000 1.079 49 V HN 2.532 nan 8.190 nan 0.000 0.446 50 A N -0.040 122.663 122.820 -0.194 0.000 2.822 50 A HA -0.244 4.131 4.320 0.091 0.000 0.287 50 A C 0.789 178.334 177.584 -0.065 0.000 1.479 50 A CA 1.417 53.323 52.037 -0.218 0.000 0.779 50 A CB -1.963 16.650 19.000 -0.646 0.000 1.022 50 A HN 1.732 nan 8.150 nan 0.000 0.532 51 R N -0.805 119.661 120.500 -0.057 0.000 2.537 51 R HA 0.145 4.540 4.340 0.091 0.000 0.281 51 R C 0.853 177.170 176.300 0.028 0.000 0.988 51 R CA 1.198 57.251 56.100 -0.079 0.000 1.077 51 R CB -0.045 30.163 30.300 -0.153 0.000 0.932 51 R HN 1.149 nan 8.270 nan 0.000 0.409 52 W N 3.589 124.859 121.300 -0.049 0.000 2.871 52 W HA 0.502 5.218 4.660 0.093 0.000 0.340 52 W C -0.101 176.417 176.519 -0.002 0.000 1.058 52 W CA 0.172 57.511 57.345 -0.010 0.000 1.633 52 W CB 0.346 29.832 29.460 0.044 0.000 1.067 52 W HN 0.646 nan 8.180 nan 0.000 0.554 53 G N 0.985 109.569 108.800 -0.359 0.000 2.682 53 G HA2 0.295 4.310 3.960 0.091 0.000 0.303 53 G HA3 0.295 4.310 3.960 0.091 0.000 0.303 53 G C -0.182 174.575 174.900 -0.239 0.000 1.341 53 G CA -0.151 44.810 45.100 -0.231 0.000 0.784 53 G HN 0.192 nan 8.290 nan 0.000 0.497 54 Q N -0.889 118.813 119.800 -0.165 0.000 2.396 54 Q HA 0.269 4.664 4.340 0.091 0.000 0.209 54 Q C -0.096 175.821 176.000 -0.138 0.000 0.906 54 Q CA 0.294 56.020 55.803 -0.128 0.000 0.927 54 Q CB 0.355 29.050 28.738 -0.071 0.000 1.069 54 Q HN 0.276 nan 8.270 nan 0.000 0.523 55 E N 1.890 121.976 120.200 -0.190 0.000 2.313 55 E HA 0.013 4.418 4.350 0.091 0.000 0.276 55 E C 0.618 177.100 176.600 -0.196 0.000 1.031 55 E CA 0.423 56.733 56.400 -0.150 0.000 0.857 55 E CB 1.649 31.281 29.700 -0.115 0.000 1.040 55 E HN 0.358 nan 8.360 nan 0.000 0.408 56 S N 2.345 118.035 115.700 -0.017 0.000 2.500 56 S HA -0.181 4.343 4.470 0.091 0.000 0.239 56 S C 1.301 175.999 174.600 0.163 0.000 0.989 56 S CA 1.141 59.362 58.200 0.035 0.000 0.951 56 S CB -0.391 62.846 63.200 0.062 0.000 0.759 56 S HN 0.661 nan 8.310 nan 0.000 0.523 57 H N 0.152 119.251 119.070 0.048 0.000 2.539 57 H HA 0.346 4.956 4.556 0.091 0.000 0.269 57 H C -0.129 174.994 175.328 -0.343 0.000 0.980 57 H CA -0.034 55.986 56.048 -0.046 0.000 1.152 57 H CB -0.369 29.443 29.762 0.083 0.000 1.407 57 H HN 0.523 nan 8.280 nan 0.000 0.564 58 E N 1.491 121.230 120.200 -0.769 0.000 2.232 58 E HA 0.242 4.647 4.350 0.091 0.000 0.296 58 E C -1.072 174.625 176.600 -1.505 0.000 1.372 58 E CA -0.383 55.136 56.400 -1.469 0.000 1.527 58 E CB -0.211 28.641 29.700 -1.413 0.000 1.424 58 E HN 0.460 nan 8.360 nan 0.000 0.485 59 F N -2.525 116.749 119.950 -1.128 0.000 2.713 59 F HA 0.734 5.316 4.527 0.090 0.000 0.311 59 F C 0.070 175.801 175.800 -0.114 0.000 1.141 59 F CA -1.326 56.345 58.000 -0.548 0.000 0.939 59 F CB 0.673 39.447 39.000 -0.378 0.000 1.325 59 F HN -0.063 nan 8.300 nan 0.000 0.453 60 G N 0.996 109.803 108.800 0.011 0.000 2.795 60 G HA2 0.734 4.749 3.960 0.091 0.000 0.267 60 G HA3 0.734 4.749 3.960 0.091 0.000 0.267 60 G C -1.366 173.576 174.900 0.069 0.000 1.362 60 G CA -1.097 44.000 45.100 -0.005 0.000 1.048 60 G HN 0.562 nan 8.290 nan 0.000 0.547 61 M N -0.086 119.619 119.600 0.175 0.000 2.518 61 M HA 0.506 5.040 4.480 0.091 0.000 0.300 61 M C -0.827 175.587 176.300 0.190 0.000 1.175 61 M CA -0.649 54.741 55.300 0.150 0.000 0.890 61 M CB 2.395 35.052 32.600 0.095 0.000 1.710 61 M HN 0.645 nan 8.290 nan 0.000 0.453 62 R N 1.927 122.503 120.500 0.127 0.000 2.575 62 R HA 0.457 4.852 4.340 0.091 0.000 0.292 62 R C -1.275 175.070 176.300 0.075 0.000 1.246 62 R CA -0.274 55.889 56.100 0.104 0.000 0.973 62 R CB 1.274 31.638 30.300 0.107 0.000 1.187 62 R HN 0.824 nan 8.270 nan 0.000 0.478 63 R N 6.439 126.978 120.500 0.065 0.000 2.721 63 R HA 0.263 4.658 4.340 0.091 0.000 0.272 63 R C -1.225 175.104 176.300 0.049 0.000 1.721 63 R CA -0.428 55.708 56.100 0.061 0.000 1.325 63 R CB 0.634 30.974 30.300 0.068 0.000 1.271 63 R HN 0.501 nan 8.270 nan 0.000 0.556 64 L N 2.507 123.753 121.223 0.039 0.000 2.395 64 L HA 0.414 4.809 4.340 0.091 0.000 0.269 64 L C 0.820 177.726 176.870 0.060 0.000 1.133 64 L CA -0.485 54.370 54.840 0.025 0.000 0.812 64 L CB 1.283 43.338 42.059 -0.006 0.000 1.125 64 L HN 0.567 nan 8.230 nan 0.000 0.452 65 A N 2.198 125.054 122.820 0.060 0.000 2.566 65 A HA 0.359 4.734 4.320 0.091 0.000 0.245 65 A C 1.266 179.036 177.584 0.309 0.000 1.056 65 A CA 0.584 52.690 52.037 0.115 0.000 0.757 65 A CB -0.507 18.453 19.000 -0.068 0.000 0.979 65 A HN 1.162 nan 8.150 nan 0.000 0.508 66 G N 2.100 111.125 108.800 0.375 0.000 2.155 66 G HA2 -0.203 3.811 3.960 0.091 0.000 0.257 66 G HA3 -0.203 3.811 3.960 0.091 0.000 0.257 66 G C 0.561 175.607 174.900 0.245 0.000 0.983 66 G CA 1.360 46.698 45.100 0.398 0.000 0.676 66 G HN 2.097 nan 8.290 nan 0.000 0.528 67 T N -3.114 111.541 114.554 0.169 0.000 2.824 67 T HA 0.755 5.160 4.350 0.091 0.000 0.277 67 T C 1.828 176.587 174.700 0.099 0.000 0.975 67 T CA 0.459 62.628 62.100 0.115 0.000 0.966 67 T CB 1.532 70.448 68.868 0.079 0.000 1.054 67 T HN 1.346 nan 8.240 nan 0.000 0.533 68 A N 0.366 123.237 122.820 0.085 0.000 1.917 68 A HA -0.002 4.372 4.320 0.091 0.000 0.219 68 A C 2.362 179.992 177.584 0.076 0.000 1.182 68 A CA 1.635 53.721 52.037 0.082 0.000 0.633 68 A CB -1.247 17.798 19.000 0.075 0.000 0.819 68 A HN 0.817 nan 8.150 nan 0.000 0.448 69 L N -0.870 120.400 121.223 0.078 0.000 2.093 69 L HA -0.171 4.224 4.340 0.091 0.000 0.208 69 L C 2.367 179.248 176.870 0.018 0.000 1.085 69 L CA 1.546 56.437 54.840 0.084 0.000 0.755 69 L CB -0.514 41.611 42.059 0.110 0.000 0.904 69 L HN 0.438 nan 8.230 nan 0.000 0.435 70 D N 0.079 120.494 120.400 0.025 0.000 2.104 70 D HA -0.169 4.526 4.640 0.091 0.000 0.194 70 D C 2.163 178.413 176.300 -0.083 0.000 0.994 70 D CA 1.539 55.532 54.000 -0.011 0.000 0.830 70 D CB -0.144 40.686 40.800 0.050 0.000 0.959 70 D HN 0.200 nan 8.370 nan 0.000 0.452 71 G N 0.099 108.882 108.800 -0.028 0.000 2.446 71 G HA2 -0.223 3.791 3.960 0.091 0.000 0.217 71 G HA3 -0.223 3.791 3.960 0.091 0.000 0.217 71 G C 1.742 176.628 174.900 -0.024 0.000 1.168 71 G CA 1.390 46.490 45.100 -0.001 0.000 0.771 71 G HN 0.447 nan 8.290 nan 0.000 0.551 72 A N 0.189 122.966 122.820 -0.072 0.000 1.908 72 A HA -0.043 4.331 4.320 0.091 0.000 0.218 72 A C 2.337 179.519 177.584 -0.670 0.000 1.181 72 A CA 2.418 54.333 52.037 -0.203 0.000 0.627 72 A CB -0.389 18.584 19.000 -0.046 0.000 0.818 72 A HN 0.417 nan 8.150 nan 0.000 0.445 73 M N -0.219 118.923 119.600 -0.763 0.000 2.132 73 M HA -0.069 4.466 4.480 0.091 0.000 0.263 73 M C 2.008 178.202 176.300 -0.175 0.000 1.065 73 M CA 1.628 56.495 55.300 -0.722 0.000 1.122 73 M CB -0.550 31.835 32.600 -0.359 0.000 1.365 73 M HN 0.377 nan 8.290 nan 0.000 0.411 74 R N 0.190 120.600 120.500 -0.150 0.000 2.103 74 R HA -0.177 4.218 4.340 0.091 0.000 0.242 74 R C 1.853 178.250 176.300 0.162 0.000 1.142 74 R CA 1.819 57.878 56.100 -0.068 0.000 0.960 74 R CB -0.699 29.298 30.300 -0.504 0.000 0.858 74 R HN 0.448 nan 8.270 nan 0.000 0.439 75 D N -0.587 119.903 120.400 0.150 0.000 2.104 75 D HA -0.220 4.475 4.640 0.091 0.000 0.194 75 D C 1.456 177.865 176.300 0.183 0.000 0.994 75 D CA 1.039 55.162 54.000 0.205 0.000 0.830 75 D CB -0.412 40.482 40.800 0.157 0.000 0.959 75 D HN 0.312 nan 8.370 nan 0.000 0.452 76 W N 0.745 122.027 121.300 -0.030 0.000 2.335 76 W HA -0.254 4.461 4.660 0.092 0.000 0.311 76 W C 2.192 178.762 176.519 0.085 0.000 1.213 76 W CA 1.347 58.719 57.345 0.044 0.000 1.274 76 W CB -0.673 28.823 29.460 0.060 0.000 1.148 76 W HN -0.040 nan 8.180 nan 0.000 0.498 77 F N 0.914 120.989 119.950 0.209 0.000 2.095 77 F HA -0.219 4.363 4.527 0.092 0.000 0.298 77 F C 2.682 178.420 175.800 -0.103 0.000 1.104 77 F CA 2.579 60.603 58.000 0.040 0.000 1.232 77 F CB -1.214 37.874 39.000 0.146 0.000 0.987 77 F HN -0.121 nan 8.300 nan 0.000 0.475 78 T N -0.035 114.483 114.554 -0.060 0.000 2.867 78 T HA -0.174 4.231 4.350 0.091 0.000 0.268 78 T C 2.007 176.572 174.700 -0.225 0.000 1.057 78 T CA 1.751 63.762 62.100 -0.149 0.000 1.136 78 T CB -0.548 68.382 68.868 0.103 0.000 0.874 78 T HN 0.372 nan 8.240 nan 0.000 0.466 79 N N 0.523 119.094 118.700 -0.215 0.000 2.058 79 N HA -0.100 4.695 4.740 0.091 0.000 0.191 79 N C 1.932 177.227 175.510 -0.359 0.000 1.037 79 N CA 1.302 54.205 53.050 -0.245 0.000 0.848 79 N CB -0.188 38.167 38.487 -0.220 0.000 1.021 79 N HN 0.480 nan 8.380 nan 0.000 0.422 80 E N 0.823 120.669 120.200 -0.590 0.000 2.070 80 E HA -0.159 4.245 4.350 0.091 0.000 0.197 80 E C 2.282 178.639 176.600 -0.405 0.000 1.004 80 E CA 0.711 56.755 56.400 -0.593 0.000 0.805 80 E CB -0.575 28.601 29.700 -0.875 0.000 0.744 80 E HN 0.420 nan 8.360 nan 0.000 0.451 81 C N 0.778 119.788 119.300 -0.482 0.000 2.453 81 C HA -0.077 4.438 4.460 0.091 0.000 0.277 81 C C 2.551 177.440 174.990 -0.168 0.000 1.262 81 C CA 0.448 59.265 59.018 -0.335 0.000 1.718 81 C CB -0.850 26.614 27.740 -0.460 0.000 2.031 81 C HN 0.499 nan 8.230 nan 0.000 0.480 82 E N 1.247 121.344 120.200 -0.172 0.000 2.160 82 E HA -0.186 4.218 4.350 0.091 0.000 0.195 82 E C 2.211 178.763 176.600 -0.080 0.000 0.991 82 E CA 1.646 57.986 56.400 -0.099 0.000 0.810 82 E CB -0.182 29.464 29.700 -0.090 0.000 0.742 82 E HN 0.800 nan 8.360 nan 0.000 0.466 83 S N 0.322 115.960 115.700 -0.103 0.000 2.481 83 S HA -0.039 4.486 4.470 0.091 0.000 0.231 83 S C 1.732 176.313 174.600 -0.033 0.000 0.996 83 S CA 0.495 58.652 58.200 -0.072 0.000 0.942 83 S CB -0.125 63.019 63.200 -0.093 0.000 0.768 83 S HN 0.187 nan 8.310 nan 0.000 0.520 84 L N 0.675 121.890 121.223 -0.014 0.000 2.607 84 L HA 0.381 4.776 4.340 0.091 0.000 0.228 84 L C 1.685 178.598 176.870 0.073 0.000 1.123 84 L CA 0.306 55.193 54.840 0.080 0.000 0.890 84 L CB -0.329 41.820 42.059 0.149 0.000 1.103 84 L HN 0.569 nan 8.230 nan 0.000 0.468 85 G N -0.566 108.229 108.800 -0.009 0.000 2.131 85 G HA2 -0.235 3.780 3.960 0.091 0.000 0.223 85 G HA3 -0.235 3.780 3.960 0.091 0.000 0.223 85 G C 0.191 175.042 174.900 -0.081 0.000 0.990 85 G CA -0.219 44.839 45.100 -0.070 0.000 0.671 85 G HN 0.292 nan 8.290 nan 0.000 0.521 86 C N 0.296 119.589 119.300 -0.013 0.000 2.605 86 C HA 0.591 5.106 4.460 0.091 0.000 0.404 86 C C 0.968 175.960 174.990 0.003 0.000 1.284 86 C CA -0.280 58.750 59.018 0.021 0.000 2.199 86 C CB 1.003 28.775 27.740 0.053 0.000 2.647 86 C HN 0.537 nan 8.230 nan 0.000 0.604 87 K N 1.694 122.110 120.400 0.027 0.000 2.248 87 K HA 0.479 4.854 4.320 0.091 0.000 0.281 87 K C -1.005 175.636 176.600 0.068 0.000 1.054 87 K CA -0.079 56.229 56.287 0.034 0.000 0.903 87 K CB 0.592 33.113 32.500 0.036 0.000 1.077 87 K HN 0.515 nan 8.250 nan 0.000 0.474 88 V N 5.614 125.565 119.914 0.061 0.000 2.333 88 V HA 0.266 4.441 4.120 0.091 0.000 0.274 88 V C -0.125 176.047 176.094 0.129 0.000 1.028 88 V CA -0.732 61.630 62.300 0.104 0.000 0.851 88 V CB 0.958 32.828 31.823 0.079 0.000 1.000 88 V HN 0.675 nan 8.190 nan 0.000 0.456 89 K N 3.391 123.899 120.400 0.179 0.000 2.143 89 K HA 0.705 5.080 4.320 0.091 0.000 0.272 89 K C -0.997 175.753 176.600 0.250 0.000 1.001 89 K CA -0.538 55.853 56.287 0.174 0.000 0.915 89 K CB 2.090 34.672 32.500 0.137 0.000 1.047 89 K HN 0.457 nan 8.250 nan 0.000 0.458 90 V N 3.332 123.366 119.914 0.200 0.000 2.487 90 V HA 0.097 4.271 4.120 0.091 0.000 0.298 90 V C -0.234 175.980 176.094 0.200 0.000 1.028 90 V CA -0.976 61.467 62.300 0.238 0.000 0.860 90 V CB 1.497 33.445 31.823 0.209 0.000 0.991 90 V HN 0.884 nan 8.190 nan 0.000 0.427 91 D N 3.572 124.122 120.400 0.251 0.000 2.506 91 D HA 0.258 4.953 4.640 0.091 0.000 0.272 91 D C 0.823 177.232 176.300 0.182 0.000 1.214 91 D CA -0.620 53.505 54.000 0.207 0.000 1.067 91 D CB 0.963 41.917 40.800 0.256 0.000 1.117 91 D HN 0.277 nan 8.370 nan 0.000 0.578 92 K N -1.160 119.342 120.400 0.169 0.000 2.283 92 K HA 0.024 4.398 4.320 0.091 0.000 0.202 92 K C 1.000 177.731 176.600 0.217 0.000 1.048 92 K CA 0.575 56.974 56.287 0.187 0.000 0.948 92 K CB -0.149 32.450 32.500 0.166 0.000 0.742 92 K HN 0.293 nan 8.250 nan 0.000 0.458 93 I N -0.523 120.141 120.570 0.156 0.000 3.941 93 I HA 0.196 4.421 4.170 0.091 0.000 0.335 93 I C 0.605 176.678 176.117 -0.073 0.000 1.402 93 I CA 0.133 61.477 61.300 0.074 0.000 1.112 93 I CB 0.399 38.461 38.000 0.103 0.000 1.043 93 I HN 0.284 nan 8.210 nan 0.000 0.395 94 G N 0.822 109.644 108.800 0.037 0.000 2.176 94 G HA2 -0.270 3.745 3.960 0.091 0.000 0.253 94 G HA3 -0.270 3.745 3.960 0.091 0.000 0.253 94 G C 0.175 175.178 174.900 0.172 0.000 0.979 94 G CA 0.044 45.170 45.100 0.045 0.000 0.641 94 G HN 0.404 nan 8.290 nan 0.000 0.530 95 N N 0.673 119.513 118.700 0.233 0.000 2.492 95 N HA 0.492 5.287 4.740 0.091 0.000 0.262 95 N C 0.559 176.126 175.510 0.094 0.000 1.202 95 N CA 0.608 53.730 53.050 0.120 0.000 0.926 95 N CB 0.495 39.092 38.487 0.183 0.000 1.078 95 N HN 0.439 nan 8.380 nan 0.000 0.454 96 M N 1.650 121.156 119.600 -0.157 0.000 2.436 96 M HA 0.448 4.983 4.480 0.091 0.000 0.331 96 M C -1.030 175.102 176.300 -0.280 0.000 1.135 96 M CA -0.543 54.758 55.300 0.001 0.000 0.987 96 M CB 1.345 34.002 32.600 0.095 0.000 1.687 96 M HN 0.244 nan 8.290 nan 0.000 0.445 97 F N 1.550 121.508 119.950 0.012 0.000 2.513 97 F HA 0.545 5.127 4.527 0.091 0.000 0.358 97 F C 0.024 175.877 175.800 0.088 0.000 1.118 97 F CA -0.956 57.047 58.000 0.004 0.000 1.037 97 F CB 1.356 40.346 39.000 -0.016 0.000 1.276 97 F HN 0.630 nan 8.300 nan 0.000 0.446 98 A N 3.672 126.635 122.820 0.237 0.000 2.391 98 A HA 0.627 5.002 4.320 0.091 0.000 0.316 98 A C -0.517 177.190 177.584 0.205 0.000 1.381 98 A CA -0.454 51.695 52.037 0.186 0.000 0.998 98 A CB -0.225 18.847 19.000 0.120 0.000 1.147 98 A HN 0.464 nan 8.150 nan 0.000 0.545 99 V N 3.506 123.538 119.914 0.197 0.000 2.364 99 V HA 0.170 4.345 4.120 0.091 0.000 0.272 99 V C -0.468 175.755 176.094 0.215 0.000 1.036 99 V CA -0.367 62.062 62.300 0.216 0.000 0.880 99 V CB 0.478 32.410 31.823 0.182 0.000 0.991 99 V HN 0.732 nan 8.190 nan 0.000 0.460 100 Y N 8.389 128.770 120.300 0.134 0.000 2.335 100 Y HA 0.495 5.099 4.550 0.091 0.000 0.339 100 Y C -2.089 173.883 175.900 0.120 0.000 0.987 100 Y CA -2.690 55.487 58.100 0.129 0.000 1.140 100 Y CB 1.873 40.444 38.460 0.186 0.000 1.173 100 Y HN 0.469 nan 8.280 nan 0.000 0.486 101 P HA 0.161 nan 4.420 nan 0.000 0.271 101 P C -0.235 177.044 177.300 -0.036 0.000 1.220 101 P CA 0.198 63.245 63.100 -0.088 0.000 0.768 101 P CB 1.228 32.822 31.700 -0.176 0.000 0.848 102 G N 2.651 111.462 108.800 0.018 0.000 2.552 102 G HA2 0.377 4.391 3.960 0.091 0.000 0.324 102 G HA3 0.377 4.391 3.960 0.091 0.000 0.324 102 G C 0.797 175.628 174.900 -0.115 0.000 1.217 102 G CA -0.811 44.272 45.100 -0.029 0.000 0.989 102 G HN 0.457 nan 8.290 nan 0.000 0.490 103 K N -1.137 119.148 120.400 -0.192 0.000 2.283 103 K HA 0.026 4.401 4.320 0.091 0.000 0.202 103 K C 0.788 177.254 176.600 -0.224 0.000 1.048 103 K CA 1.330 57.496 56.287 -0.202 0.000 0.948 103 K CB 0.142 32.517 32.500 -0.207 0.000 0.742 103 K HN 0.261 nan 8.250 nan 0.000 0.458 104 N N 0.180 118.678 118.700 -0.336 0.000 2.171 104 N HA 0.117 4.912 4.740 0.091 0.000 0.212 104 N C 0.716 176.172 175.510 -0.090 0.000 1.184 104 N CA 0.683 53.550 53.050 -0.305 0.000 0.888 104 N CB 1.347 39.473 38.487 -0.601 0.000 1.038 104 N HN 0.437 nan 8.380 nan 0.000 0.517 105 G N 1.279 110.067 108.800 -0.022 0.000 2.557 105 G HA2 -0.223 3.792 3.960 0.091 0.000 0.292 105 G HA3 -0.223 3.792 3.960 0.091 0.000 0.292 105 G C 0.468 175.506 174.900 0.229 0.000 1.162 105 G CA 0.454 45.608 45.100 0.090 0.000 0.964 105 G HN 0.851 nan 8.290 nan 0.000 0.541 106 G N -0.432 108.488 108.800 0.199 0.000 2.740 106 G HA2 -0.035 3.980 3.960 0.091 0.000 0.250 106 G HA3 -0.035 3.980 3.960 0.091 0.000 0.250 106 G C 0.076 175.078 174.900 0.171 0.000 1.358 106 G CA 0.813 46.031 45.100 0.196 0.000 0.897 106 G HN 1.461 nan 8.290 nan 0.000 0.567 107 K N 1.953 122.437 120.400 0.140 0.000 2.472 107 K HA 0.206 4.581 4.320 0.091 0.000 0.280 107 K C -1.863 174.857 176.600 0.200 0.000 1.028 107 K CA -0.437 55.944 56.287 0.156 0.000 1.045 107 K CB 0.506 33.093 32.500 0.145 0.000 0.902 107 K HN 0.373 nan 8.250 nan 0.000 0.478 108 P HA -0.026 nan 4.420 nan 0.000 0.271 108 P C -0.582 176.893 177.300 0.293 0.000 1.218 108 P CA -0.175 63.085 63.100 0.267 0.000 0.780 108 P CB 0.519 32.378 31.700 0.265 0.000 0.901 109 T N 2.070 116.824 114.554 0.333 0.000 2.799 109 T HA 0.383 4.787 4.350 0.091 0.000 0.296 109 T C 0.452 175.342 174.700 0.316 0.000 0.947 109 T CA 0.162 62.475 62.100 0.356 0.000 1.141 109 T CB 0.053 69.196 68.868 0.457 0.000 0.891 109 T HN 0.454 nan 8.240 nan 0.000 0.533 110 A N 3.411 126.405 122.820 0.291 0.000 2.312 110 A HA 0.739 5.114 4.320 0.091 0.000 0.326 110 A C 0.328 178.063 177.584 0.252 0.000 1.172 110 A CA -0.636 51.578 52.037 0.295 0.000 0.821 110 A CB 1.243 20.454 19.000 0.353 0.000 1.166 110 A HN 0.685 nan 8.150 nan 0.000 0.493 111 T N 0.275 114.941 114.554 0.187 0.000 2.893 111 T HA 0.754 5.159 4.350 0.091 0.000 0.293 111 T C -0.161 174.589 174.700 0.084 0.000 1.027 111 T CA 0.376 62.517 62.100 0.068 0.000 0.988 111 T CB 1.355 70.270 68.868 0.078 0.000 1.043 111 T HN 2.027 nan 8.240 nan 0.000 0.461 112 G N 1.461 110.306 108.800 0.074 0.000 2.349 112 G HA2 0.577 4.591 3.960 0.091 0.000 0.294 112 G HA3 0.577 4.591 3.960 0.091 0.000 0.294 112 G C -1.008 174.052 174.900 0.266 0.000 1.380 112 G CA 0.281 45.466 45.100 0.142 0.000 0.811 112 G HN 0.919 nan 8.290 nan 0.000 0.519 113 S N -2.038 113.801 115.700 0.231 0.000 3.725 113 S HA 0.673 5.198 4.470 0.091 0.000 0.307 113 S C -1.538 173.240 174.600 0.297 0.000 1.149 113 S CA 0.302 58.693 58.200 0.318 0.000 1.207 113 S CB 0.270 63.553 63.200 0.139 0.000 1.611 113 S HN 1.613 nan 8.310 nan 0.000 0.592 114 H N -0.183 118.987 119.070 0.168 0.000 2.821 114 H HA 0.712 5.323 4.556 0.092 0.000 0.373 114 H C -0.103 175.235 175.328 0.017 0.000 1.165 114 H CA -0.896 55.211 56.048 0.099 0.000 1.154 114 H CB 0.734 30.583 29.762 0.145 0.000 1.765 114 H HN 0.359 nan 8.280 nan 0.000 0.549 115 L N 0.208 121.468 121.223 0.062 0.000 2.638 115 L HA 0.101 4.495 4.340 0.091 0.000 0.232 115 L C 0.267 177.187 176.870 0.083 0.000 1.099 115 L CA -0.078 54.754 54.840 -0.013 0.000 0.883 115 L CB 0.051 42.053 42.059 -0.094 0.000 1.136 115 L HN 0.764 nan 8.230 nan 0.000 0.492 116 D N 0.611 121.119 120.400 0.179 0.000 2.313 116 D HA 0.184 4.878 4.640 0.091 0.000 0.247 116 D C 0.052 176.472 176.300 0.199 0.000 1.094 116 D CA 0.040 54.120 54.000 0.133 0.000 0.925 116 D CB 1.794 42.622 40.800 0.046 0.000 1.188 116 D HN -0.038 nan 8.370 nan 0.000 0.430 117 T N -2.014 112.599 114.554 0.098 0.000 2.858 117 T HA 0.293 4.698 4.350 0.091 0.000 0.285 117 T C 0.194 174.886 174.700 -0.014 0.000 1.052 117 T CA -0.968 61.181 62.100 0.081 0.000 1.009 117 T CB 1.812 70.725 68.868 0.074 0.000 1.241 117 T HN 0.341 nan 8.240 nan 0.000 0.542 118 Q N 0.480 120.230 119.800 -0.083 0.000 2.500 118 Q HA 0.253 4.647 4.340 0.091 0.000 0.215 118 Q C -1.651 174.298 176.000 -0.085 0.000 1.062 118 Q CA -1.838 53.866 55.803 -0.166 0.000 0.996 118 Q CB 0.343 28.870 28.738 -0.351 0.000 1.239 118 Q HN 0.465 nan 8.270 nan 0.000 0.578 119 P HA -0.073 nan 4.420 nan 0.000 0.219 119 P C -0.589 176.699 177.300 -0.021 0.000 1.150 119 P CA 1.293 64.362 63.100 -0.052 0.000 0.814 119 P CB 0.418 32.074 31.700 -0.073 0.000 0.787 120 E N -0.555 119.585 120.200 -0.100 0.000 2.325 120 E HA 0.620 5.025 4.350 0.091 0.000 0.248 120 E C -0.956 175.525 176.600 -0.198 0.000 0.912 120 E CA -0.590 55.687 56.400 -0.204 0.000 0.782 120 E CB 1.804 31.170 29.700 -0.556 0.000 1.264 120 E HN -0.035 nan 8.360 nan 0.000 0.417 121 A N 2.029 124.882 122.820 0.056 0.000 2.532 121 A HA 0.892 5.267 4.320 0.091 0.000 0.290 121 A C -0.017 177.680 177.584 0.188 0.000 1.143 121 A CA -0.480 51.609 52.037 0.086 0.000 0.728 121 A CB 1.508 20.545 19.000 0.063 0.000 1.317 121 A HN 0.526 nan 8.150 nan 0.000 0.414 122 G N -0.782 108.115 108.800 0.161 0.000 2.528 122 G HA2 0.472 4.487 3.960 0.091 0.000 0.289 122 G HA3 0.472 4.487 3.960 0.091 0.000 0.289 122 G C 0.134 175.042 174.900 0.014 0.000 1.192 122 G CA -0.484 44.709 45.100 0.154 0.000 0.921 122 G HN 0.705 nan 8.290 nan 0.000 0.512 123 K N -0.641 119.633 120.400 -0.210 0.000 2.459 123 K HA 0.094 4.468 4.320 0.091 0.000 0.193 123 K C 0.886 177.135 176.600 -0.585 0.000 1.030 123 K CA 0.813 56.788 56.287 -0.520 0.000 1.026 123 K CB 0.109 32.051 32.500 -0.930 0.000 0.809 123 K HN 0.625 nan 8.250 nan 0.000 0.504 124 Y N -0.285 119.981 120.300 -0.057 0.000 2.581 124 Y HA 0.090 4.694 4.550 0.090 0.000 0.271 124 Y C 0.601 176.395 175.900 -0.178 0.000 1.100 124 Y CA -0.852 57.178 58.100 -0.116 0.000 1.281 124 Y CB 0.206 38.589 38.460 -0.128 0.000 1.237 124 Y HN -0.081 nan 8.280 nan 0.000 0.514 125 D N 0.848 121.264 120.400 0.026 0.000 2.472 125 D HA 0.155 4.850 4.640 0.091 0.000 0.248 125 D C 1.333 177.527 176.300 -0.177 0.000 1.174 125 D CA 1.878 55.856 54.000 -0.036 0.000 0.883 125 D CB 0.677 41.614 40.800 0.229 0.000 1.149 125 D HN 0.566 nan 8.370 nan 0.000 0.488 126 G N 4.190 112.692 108.800 -0.497 0.000 2.855 126 G HA2 -0.415 3.600 3.960 0.091 0.000 0.231 126 G HA3 -0.415 3.600 3.960 0.091 0.000 0.231 126 G C 1.542 176.159 174.900 -0.470 0.000 1.242 126 G CA 0.513 45.080 45.100 -0.889 0.000 0.789 126 G HN 0.577 nan 8.290 nan 0.000 0.517 127 I N 0.970 121.353 120.570 -0.311 0.000 2.264 127 I HA -0.128 4.096 4.170 0.091 0.000 0.248 127 I C 2.649 178.693 176.117 -0.122 0.000 1.111 127 I CA 1.625 62.818 61.300 -0.178 0.000 1.382 127 I CB -0.338 37.579 38.000 -0.137 0.000 1.060 127 I HN 0.378 nan 8.210 nan 0.000 0.418 128 L N 1.175 122.325 121.223 -0.121 0.000 2.012 128 L HA -0.129 4.266 4.340 0.091 0.000 0.210 128 L C 2.347 179.193 176.870 -0.040 0.000 1.073 128 L CA 2.354 57.160 54.840 -0.057 0.000 0.748 128 L CB -1.232 40.796 42.059 -0.053 0.000 0.891 128 L HN 0.204 nan 8.230 nan 0.000 0.431 129 G N -0.911 107.849 108.800 -0.067 0.000 2.421 129 G HA2 -0.244 3.771 3.960 0.091 0.000 0.216 129 G HA3 -0.244 3.771 3.960 0.091 0.000 0.216 129 G C 1.650 176.554 174.900 0.007 0.000 1.171 129 G CA 1.378 46.477 45.100 -0.002 0.000 0.775 129 G HN 0.499 nan 8.290 nan 0.000 0.543 130 V N -0.060 119.833 119.914 -0.036 0.000 2.453 130 V HA 0.081 4.256 4.120 0.091 0.000 0.247 130 V C 2.587 178.715 176.094 0.057 0.000 1.048 130 V CA 1.442 63.718 62.300 -0.040 0.000 1.049 130 V CB -0.342 31.359 31.823 -0.204 0.000 0.672 130 V HN 0.324 nan 8.190 nan 0.000 0.457 131 L N 0.499 121.753 121.223 0.053 0.000 2.217 131 L HA 0.073 4.467 4.340 0.091 0.000 0.211 131 L C 2.998 179.900 176.870 0.053 0.000 1.107 131 L CA 1.292 56.193 54.840 0.102 0.000 0.783 131 L CB -0.914 41.190 42.059 0.076 0.000 0.919 131 L HN 0.467 nan 8.230 nan 0.000 0.442 132 A N 0.588 123.436 122.820 0.048 0.000 1.930 132 A HA -0.089 4.286 4.320 0.091 0.000 0.217 132 A C 2.403 180.068 177.584 0.135 0.000 1.175 132 A CA 1.595 53.691 52.037 0.098 0.000 0.627 132 A CB -1.044 18.047 19.000 0.150 0.000 0.815 132 A HN 0.416 nan 8.150 nan 0.000 0.443 133 G N -0.186 108.673 108.800 0.098 0.000 2.433 133 G HA2 -0.222 3.793 3.960 0.091 0.000 0.216 133 G HA3 -0.222 3.793 3.960 0.091 0.000 0.216 133 G C 1.569 176.511 174.900 0.069 0.000 1.186 133 G CA 0.933 46.085 45.100 0.085 0.000 0.779 133 G HN 0.413 nan 8.290 nan 0.000 0.543 134 L N 0.045 121.341 121.223 0.122 0.000 2.021 134 L HA -0.163 4.232 4.340 0.091 0.000 0.215 134 L C 3.006 179.860 176.870 -0.027 0.000 1.074 134 L CA 1.831 56.717 54.840 0.077 0.000 0.760 134 L CB -0.221 41.933 42.059 0.157 0.000 0.889 134 L HN 0.212 nan 8.230 nan 0.000 0.433 135 E N -0.595 119.575 120.200 -0.050 0.000 2.077 135 E HA -0.171 4.233 4.350 0.091 0.000 0.193 135 E C 2.208 178.779 176.600 -0.049 0.000 0.989 135 E CA 1.155 57.456 56.400 -0.165 0.000 0.800 135 E CB -0.388 28.974 29.700 -0.564 0.000 0.746 135 E HN 0.375 nan 8.360 nan 0.000 0.452 136 V N 1.762 121.706 119.914 0.050 0.000 2.252 136 V HA -0.285 3.890 4.120 0.091 0.000 0.249 136 V C 2.559 178.245 176.094 -0.680 0.000 1.056 136 V CA 1.634 63.768 62.300 -0.277 0.000 1.022 136 V CB -0.608 31.025 31.823 -0.316 0.000 0.641 136 V HN 0.236 nan 8.190 nan 0.000 0.445 137 L N -0.757 120.192 121.223 -0.457 0.000 2.046 137 L HA -0.187 4.207 4.340 0.091 0.000 0.208 137 L C 2.782 179.477 176.870 -0.290 0.000 1.077 137 L CA 1.750 56.285 54.840 -0.508 0.000 0.747 137 L CB -0.710 41.162 42.059 -0.311 0.000 0.896 137 L HN 0.258 nan 8.230 nan 0.000 0.432 138 R N -0.529 119.877 120.500 -0.157 0.000 2.096 138 R HA -0.116 4.278 4.340 0.091 0.000 0.235 138 R C 2.292 178.575 176.300 -0.028 0.000 1.127 138 R CA 1.809 57.874 56.100 -0.058 0.000 0.968 138 R CB -0.585 29.680 30.300 -0.058 0.000 0.861 138 R HN 0.344 nan 8.270 nan 0.000 0.440 139 T N 0.816 115.323 114.554 -0.078 0.000 2.788 139 T HA -0.099 4.305 4.350 0.091 0.000 0.268 139 T C 1.554 176.308 174.700 0.091 0.000 1.044 139 T CA 1.233 63.325 62.100 -0.012 0.000 1.139 139 T CB -0.261 68.608 68.868 0.002 0.000 0.867 139 T HN 0.200 nan 8.240 nan 0.000 0.454 140 F N 1.195 121.144 119.950 -0.002 0.000 2.102 140 F HA -0.103 4.479 4.527 0.092 0.000 0.298 140 F C 2.618 178.514 175.800 0.160 0.000 1.105 140 F CA 0.846 58.896 58.000 0.083 0.000 1.239 140 F CB -0.141 38.859 39.000 -0.000 0.000 0.991 140 F HN 0.059 nan 8.300 nan 0.000 0.474 141 K N 0.882 121.478 120.400 0.328 0.000 2.026 141 K HA -0.182 4.193 4.320 0.091 0.000 0.208 141 K C 1.434 178.145 176.600 0.184 0.000 1.048 141 K CA 1.958 58.410 56.287 0.276 0.000 0.929 141 K CB -0.369 32.270 32.500 0.232 0.000 0.713 141 K HN 0.023 nan 8.250 nan 0.000 0.439 142 D N 0.217 120.701 120.400 0.140 0.000 2.178 142 D HA -0.130 4.565 4.640 0.091 0.000 0.201 142 D C 0.967 177.336 176.300 0.115 0.000 0.980 142 D CA 0.922 54.983 54.000 0.103 0.000 0.842 142 D CB -0.164 40.679 40.800 0.073 0.000 0.948 142 D HN 0.315 nan 8.370 nan 0.000 0.472 143 N N 0.841 119.636 118.700 0.157 0.000 2.280 143 N HA -0.026 4.768 4.740 0.091 0.000 0.192 143 N C -0.383 175.238 175.510 0.185 0.000 1.109 143 N CA -0.009 53.138 53.050 0.161 0.000 0.855 143 N CB 0.334 38.925 38.487 0.174 0.000 0.974 143 N HN 0.048 nan 8.380 nan 0.000 0.482 144 N N 0.484 119.294 118.700 0.184 0.000 2.727 144 N HA -0.270 4.525 4.740 0.091 0.000 0.249 144 N C -0.766 174.845 175.510 0.169 0.000 1.048 144 N CA 0.713 53.855 53.050 0.153 0.000 0.714 144 N CB -2.166 36.377 38.487 0.093 0.000 0.959 144 N HN 0.518 nan 8.380 nan 0.000 0.544 145 Y N 0.015 120.371 120.300 0.094 0.000 2.335 145 Y HA 0.467 5.072 4.550 0.091 0.000 0.339 145 Y C -0.206 175.649 175.900 -0.076 0.000 0.987 145 Y CA -0.848 57.255 58.100 0.005 0.000 1.140 145 Y CB 1.087 39.562 38.460 0.025 0.000 1.173 145 Y HN -0.035 nan 8.280 nan 0.000 0.486 146 V N 9.183 128.788 119.914 -0.514 0.000 2.350 146 V HA 0.357 4.531 4.120 0.091 0.000 0.276 146 V C -2.015 173.673 176.094 -0.677 0.000 1.028 146 V CA -1.928 60.136 62.300 -0.393 0.000 0.860 146 V CB 0.829 32.501 31.823 -0.252 0.000 0.990 146 V HN 0.722 nan 8.190 nan 0.000 0.453 147 P HA 0.192 nan 4.420 nan 0.000 0.272 147 P C 0.408 177.582 177.300 -0.210 0.000 1.230 147 P CA -0.267 62.656 63.100 -0.295 0.000 0.788 147 P CB 0.882 32.529 31.700 -0.089 0.000 0.949 148 N N -0.237 118.379 118.700 -0.140 0.000 2.270 148 N HA -0.087 4.708 4.740 0.091 0.000 0.181 148 N C 0.131 175.362 175.510 -0.464 0.000 1.016 148 N CA 1.417 54.312 53.050 -0.258 0.000 0.870 148 N CB -0.159 38.241 38.487 -0.146 0.000 0.979 148 N HN 0.511 nan 8.380 nan 0.000 0.431 149 Y N 0.568 120.873 120.300 0.008 0.000 2.576 149 Y HA 0.241 4.846 4.550 0.091 0.000 0.346 149 Y C -0.218 175.747 175.900 0.108 0.000 1.018 149 Y CA -1.337 56.794 58.100 0.050 0.000 1.050 149 Y CB 0.920 39.420 38.460 0.065 0.000 1.280 149 Y HN -0.216 nan 8.280 nan 0.000 0.474 150 D N 1.001 121.569 120.400 0.281 0.000 2.506 150 D HA 0.228 4.922 4.640 0.091 0.000 0.234 150 D C -0.760 175.731 176.300 0.319 0.000 1.143 150 D CA 0.600 54.756 54.000 0.260 0.000 0.871 150 D CB 0.723 41.651 40.800 0.213 0.000 1.190 150 D HN 0.126 nan 8.370 nan 0.000 0.459 151 V N 1.703 121.831 119.914 0.357 0.000 2.680 151 V HA 0.529 4.704 4.120 0.091 0.000 0.309 151 V C 0.076 176.370 176.094 0.334 0.000 1.052 151 V CA -0.757 61.762 62.300 0.365 0.000 0.908 151 V CB 1.776 33.859 31.823 0.432 0.000 1.001 151 V HN 0.933 nan 8.190 nan 0.000 0.431 152 C N 3.063 122.536 119.300 0.287 0.000 2.888 152 C HA 0.891 5.406 4.460 0.091 0.000 0.308 152 C C -0.710 174.397 174.990 0.196 0.000 1.213 152 C CA -0.711 58.460 59.018 0.255 0.000 1.461 152 C CB 0.975 28.881 27.740 0.277 0.000 1.934 152 C HN 0.606 nan 8.230 nan 0.000 0.474 153 V N 3.304 123.322 119.914 0.174 0.000 2.370 153 V HA 0.556 4.731 4.120 0.091 0.000 0.279 153 V C 0.100 176.196 176.094 0.003 0.000 1.029 153 V CA -0.254 62.127 62.300 0.136 0.000 0.870 153 V CB 1.178 33.148 31.823 0.244 0.000 0.984 153 V HN 0.832 nan 8.190 nan 0.000 0.451 154 V N 5.499 125.291 119.914 -0.203 0.000 2.435 154 V HA 0.430 4.604 4.120 0.091 0.000 0.290 154 V C -0.072 175.654 176.094 -0.613 0.000 1.030 154 V CA -0.598 61.289 62.300 -0.689 0.000 0.881 154 V CB 1.916 33.035 31.823 -1.175 0.000 0.983 154 V HN 0.615 nan 8.190 nan 0.000 0.445 155 V N 4.079 123.586 119.914 -0.678 0.000 2.313 155 V HA 0.339 4.514 4.120 0.091 0.000 0.278 155 V C -0.613 175.233 176.094 -0.412 0.000 1.017 155 V CA -0.700 61.319 62.300 -0.467 0.000 0.823 155 V CB 0.653 32.197 31.823 -0.465 0.000 1.010 155 V HN 0.881 nan 8.190 nan 0.000 0.443 156 W N 3.602 124.846 121.300 -0.094 0.000 2.261 156 W HA 0.474 5.188 4.660 0.091 0.000 0.323 156 W C 0.185 176.762 176.519 0.097 0.000 1.243 156 W CA -0.611 56.725 57.345 -0.014 0.000 1.210 156 W CB 0.558 30.013 29.460 -0.009 0.000 1.149 156 W HN 0.521 nan 8.180 nan 0.000 0.562 157 F N 4.255 124.362 119.950 0.262 0.000 2.484 157 F HA 0.083 4.665 4.527 0.092 0.000 0.360 157 F C 0.980 176.886 175.800 0.177 0.000 1.101 157 F CA -0.597 57.510 58.000 0.178 0.000 1.251 157 F CB 0.252 39.352 39.000 0.166 0.000 1.132 157 F HN 0.525 nan 8.300 nan 0.000 0.570 158 N N 3.427 121.647 118.700 -0.800 0.000 2.650 158 N HA -0.255 4.540 4.740 0.091 0.000 0.272 158 N C 0.958 176.312 175.510 -0.259 0.000 1.058 158 N CA 1.063 53.706 53.050 -0.679 0.000 0.765 158 N CB -0.555 37.287 38.487 -1.075 0.000 0.902 158 N HN 0.821 nan 8.380 nan 0.000 0.551 159 E N 0.426 120.514 120.200 -0.186 0.000 2.158 159 E HA -0.127 4.278 4.350 0.091 0.000 0.191 159 E C 0.814 177.297 176.600 -0.195 0.000 0.982 159 E CA 0.741 57.027 56.400 -0.190 0.000 0.823 159 E CB 0.202 29.735 29.700 -0.279 0.000 0.766 159 E HN 0.561 nan 8.360 nan 0.000 0.468 160 E N 0.048 120.119 120.200 -0.215 0.000 2.077 160 E HA -0.110 4.294 4.350 0.091 0.000 0.193 160 E C 1.240 177.877 176.600 0.063 0.000 0.989 160 E CA 1.128 57.468 56.400 -0.101 0.000 0.800 160 E CB -0.428 29.206 29.700 -0.110 0.000 0.746 160 E HN 0.446 nan 8.360 nan 0.000 0.452 161 G N 0.348 109.199 108.800 0.084 0.000 2.198 161 G HA2 -0.281 3.734 3.960 0.091 0.000 0.257 161 G HA3 -0.281 3.734 3.960 0.091 0.000 0.257 161 G C 0.858 175.843 174.900 0.143 0.000 1.042 161 G CA 0.960 46.197 45.100 0.229 0.000 0.791 161 G HN 0.511 nan 8.290 nan 0.000 0.502 162 A N -0.252 122.585 122.820 0.029 0.000 1.884 162 A HA 0.465 4.840 4.320 0.091 0.000 0.212 162 A C 2.082 179.617 177.584 -0.081 0.000 1.265 162 A CA 1.720 53.726 52.037 -0.052 0.000 0.626 162 A CB -0.191 18.753 19.000 -0.094 0.000 0.943 162 A HN 0.544 nan 8.150 nan 0.000 0.466 163 R N -1.733 118.695 120.500 -0.120 0.000 2.092 163 R HA 0.036 4.430 4.340 0.091 0.000 0.231 163 R C -0.842 175.147 176.300 -0.518 0.000 1.119 163 R CA 0.897 56.799 56.100 -0.331 0.000 0.970 163 R CB -0.130 29.929 30.300 -0.401 0.000 0.864 163 R HN 0.382 nan 8.270 nan 0.000 0.440 164 F N -0.369 119.608 119.950 0.045 0.000 2.477 164 F HA 0.448 5.033 4.527 0.096 0.000 0.335 164 F C 0.067 175.932 175.800 0.108 0.000 1.130 164 F CA -1.217 56.834 58.000 0.084 0.000 0.948 164 F CB 1.938 41.006 39.000 0.113 0.000 1.154 164 F HN -0.083 nan 8.300 nan 0.000 0.439 165 A N 3.749 126.731 122.820 0.270 0.000 3.065 165 A HA 0.411 4.785 4.320 0.091 0.000 0.262 165 A C 0.236 178.060 177.584 0.400 0.000 1.901 165 A CA 0.217 52.418 52.037 0.274 0.000 1.475 165 A CB -0.793 18.313 19.000 0.176 0.000 0.984 165 A HN 0.612 nan 8.150 nan 0.000 0.618 166 R N 0.457 121.196 120.500 0.399 0.000 2.745 166 R HA 0.250 4.645 4.340 0.091 0.000 0.290 166 R C -0.383 176.005 176.300 0.147 0.000 1.260 166 R CA 0.368 56.621 56.100 0.254 0.000 1.045 166 R CB 0.309 30.711 30.300 0.169 0.000 1.257 166 R HN 0.448 nan 8.270 nan 0.000 0.400 167 S N 1.824 117.511 115.700 -0.022 0.000 2.585 167 S HA 0.254 4.779 4.470 0.091 0.000 0.273 167 S C 0.439 174.994 174.600 -0.075 0.000 1.339 167 S CA 0.377 58.551 58.200 -0.042 0.000 1.028 167 S CB 0.811 63.936 63.200 -0.125 0.000 0.906 167 S HN 0.972 nan 8.310 nan 0.000 0.528 168 C N 2.113 121.378 119.300 -0.058 0.000 4.365 168 C HA -0.144 4.371 4.460 0.091 0.000 0.299 168 C C 1.812 176.798 174.990 -0.007 0.000 1.409 168 C CA 0.656 59.640 59.018 -0.057 0.000 2.007 168 C CB -3.403 24.285 27.740 -0.087 0.000 1.264 168 C HN 1.069 nan 8.230 nan 0.000 0.777 169 T N 0.627 115.196 114.554 0.025 0.000 2.622 169 T HA -0.123 4.281 4.350 0.091 0.000 0.266 169 T C 2.002 176.836 174.700 0.223 0.000 1.047 169 T CA 2.239 64.407 62.100 0.113 0.000 1.159 169 T CB -0.265 68.679 68.868 0.127 0.000 0.863 169 T HN 0.883 nan 8.240 nan 0.000 0.422 170 G N 1.326 110.329 108.800 0.337 0.000 2.421 170 G HA2 -0.216 3.799 3.960 0.091 0.000 0.216 170 G HA3 -0.216 3.799 3.960 0.091 0.000 0.216 170 G C 1.951 177.110 174.900 0.433 0.000 1.171 170 G CA 1.417 46.806 45.100 0.481 0.000 0.775 170 G HN 0.633 nan 8.290 nan 0.000 0.543 171 S N 0.195 115.998 115.700 0.171 0.000 2.402 171 S HA -0.031 4.493 4.470 0.091 0.000 0.229 171 S C 2.389 177.003 174.600 0.024 0.000 1.021 171 S CA 1.649 59.679 58.200 -0.283 0.000 0.974 171 S CB -0.304 62.287 63.200 -1.016 0.000 0.800 171 S HN 0.185 nan 8.310 nan 0.000 0.484 172 S N 1.187 116.921 115.700 0.057 0.000 2.383 172 S HA -0.004 4.520 4.470 0.091 0.000 0.227 172 S C 1.915 176.617 174.600 0.169 0.000 1.026 172 S CA 1.176 59.428 58.200 0.085 0.000 0.981 172 S CB -0.511 62.707 63.200 0.030 0.000 0.818 172 S HN 0.467 nan 8.310 nan 0.000 0.472 173 V N 0.064 120.102 119.914 0.208 0.000 2.295 173 V HA -0.191 3.984 4.120 0.091 0.000 0.246 173 V C 1.830 178.123 176.094 0.333 0.000 1.049 173 V CA 1.815 64.236 62.300 0.202 0.000 1.024 173 V CB -0.773 31.152 31.823 0.170 0.000 0.648 173 V HN 0.722 nan 8.190 nan 0.000 0.447 174 W N 1.742 123.198 121.300 0.260 0.000 2.342 174 W HA -0.257 4.457 4.660 0.090 0.000 0.297 174 W C 2.656 179.406 176.519 0.385 0.000 1.213 174 W CA 2.031 59.593 57.345 0.362 0.000 1.251 174 W CB -0.149 29.629 29.460 0.530 0.000 1.136 174 W HN 0.354 nan 8.180 nan 0.000 0.526 175 S N -1.675 114.288 115.700 0.439 0.000 2.593 175 S HA 0.000 4.525 4.470 0.091 0.000 0.217 175 S C 0.455 175.200 174.600 0.241 0.000 0.966 175 S CA 0.904 59.213 58.200 0.182 0.000 0.914 175 S CB -0.903 62.474 63.200 0.295 0.000 0.776 175 S HN 0.616 nan 8.310 nan 0.000 0.523 176 H N -0.814 118.317 119.070 0.102 0.000 3.109 176 H HA -0.172 4.438 4.556 0.091 0.000 0.245 176 H C 0.224 175.587 175.328 0.057 0.000 1.187 176 H CA 0.702 56.797 56.048 0.079 0.000 1.136 176 H CB -1.746 28.080 29.762 0.108 0.000 1.243 176 H HN 0.547 nan 8.280 nan 0.000 0.328 177 D N 0.343 120.837 120.400 0.157 0.000 2.323 177 D HA 0.125 4.820 4.640 0.091 0.000 0.209 177 D C 0.309 176.630 176.300 0.036 0.000 0.973 177 D CA 0.423 54.462 54.000 0.066 0.000 0.874 177 D CB 0.484 41.295 40.800 0.018 0.000 0.930 177 D HN 0.171 nan 8.370 nan 0.000 0.521 178 L N 0.357 121.609 121.223 0.047 0.000 2.436 178 L HA 0.381 4.776 4.340 0.091 0.000 0.268 178 L C -0.579 176.289 176.870 -0.004 0.000 0.974 178 L CA -0.752 54.100 54.840 0.021 0.000 0.826 178 L CB 1.724 43.800 42.059 0.029 0.000 1.291 178 L HN -0.077 nan 8.230 nan 0.000 0.406 179 S N 3.727 119.407 115.700 -0.034 0.000 2.576 179 S HA 0.176 4.700 4.470 0.091 0.000 0.276 179 S C 1.121 175.654 174.600 -0.112 0.000 1.339 179 S CA -0.276 57.875 58.200 -0.082 0.000 1.039 179 S CB 0.882 64.039 63.200 -0.072 0.000 0.902 179 S HN 0.805 nan 8.310 nan 0.000 0.516 180 L N 1.753 122.867 121.223 -0.180 0.000 2.079 180 L HA -0.044 4.351 4.340 0.091 0.000 0.210 180 L C 2.215 178.849 176.870 -0.394 0.000 1.081 180 L CA 2.039 56.680 54.840 -0.332 0.000 0.752 180 L CB -1.010 40.823 42.059 -0.378 0.000 0.896 180 L HN 0.838 nan 8.230 nan 0.000 0.433 181 E N -0.376 119.703 120.200 -0.201 0.000 2.106 181 E HA -0.203 4.202 4.350 0.091 0.000 0.192 181 E C 2.173 178.768 176.600 -0.007 0.000 0.984 181 E CA 1.317 57.673 56.400 -0.074 0.000 0.806 181 E CB -0.208 29.471 29.700 -0.035 0.000 0.750 181 E HN 0.592 nan 8.360 nan 0.000 0.458 182 E N -0.009 120.178 120.200 -0.021 0.000 2.072 182 E HA -0.151 4.254 4.350 0.091 0.000 0.191 182 E C 1.976 178.602 176.600 0.043 0.000 0.985 182 E CA 0.849 57.261 56.400 0.019 0.000 0.801 182 E CB -0.061 29.646 29.700 0.012 0.000 0.750 182 E HN 0.250 nan 8.360 nan 0.000 0.452 183 A N 0.520 123.345 122.820 0.009 0.000 1.908 183 A HA -0.200 4.174 4.320 0.091 0.000 0.218 183 A C 1.911 179.567 177.584 0.121 0.000 1.181 183 A CA 1.290 53.353 52.037 0.044 0.000 0.627 183 A CB -0.826 18.176 19.000 0.004 0.000 0.818 183 A HN 0.351 nan 8.150 nan 0.000 0.445 184 Y N 0.005 120.318 120.300 0.022 0.000 2.274 184 Y HA -0.051 4.553 4.550 0.090 0.000 0.290 184 Y C 2.583 178.501 175.900 0.031 0.000 1.145 184 Y CA 0.519 58.636 58.100 0.029 0.000 1.203 184 Y CB -1.006 37.452 38.460 -0.005 0.000 0.984 184 Y HN 0.326 nan 8.280 nan 0.000 0.533 185 G N -0.895 108.017 108.800 0.186 0.000 3.042 185 G HA2 0.141 4.156 3.960 0.091 0.000 0.212 185 G HA3 0.141 4.156 3.960 0.091 0.000 0.212 185 G C 0.385 175.371 174.900 0.144 0.000 1.166 185 G CA -0.297 44.884 45.100 0.135 0.000 0.767 185 G HN 0.116 nan 8.290 nan 0.000 0.546 186 L N 1.927 123.235 121.223 0.141 0.000 2.455 186 L HA 0.231 4.625 4.340 0.091 0.000 0.272 186 L C 0.359 177.446 176.870 0.362 0.000 1.174 186 L CA -0.106 54.860 54.840 0.209 0.000 0.869 186 L CB 0.730 42.897 42.059 0.179 0.000 1.130 186 L HN 0.035 nan 8.230 nan 0.000 0.474 187 M N 2.208 122.037 119.600 0.381 0.000 2.367 187 M HA 0.253 4.788 4.480 0.091 0.000 0.339 187 M C 0.332 176.828 176.300 0.326 0.000 1.177 187 M CA -0.465 55.057 55.300 0.370 0.000 1.068 187 M CB 1.580 34.298 32.600 0.197 0.000 1.602 187 M HN 0.653 nan 8.290 nan 0.000 0.457 188 S N 1.537 117.313 115.700 0.125 0.000 2.572 188 S HA 0.494 5.019 4.470 0.091 0.000 0.279 188 S C -0.127 174.379 174.600 -0.157 0.000 1.341 188 S CA -0.806 57.197 58.200 -0.328 0.000 1.043 188 S CB 0.592 63.584 63.200 -0.345 0.000 0.887 188 S HN 0.489 nan 8.310 nan 0.000 0.516 189 V N 2.473 122.260 119.914 -0.211 0.000 2.581 189 V HA 0.687 4.861 4.120 0.091 0.000 0.303 189 V C 1.176 177.203 176.094 -0.111 0.000 1.041 189 V CA 0.200 62.432 62.300 -0.114 0.000 0.907 189 V CB 0.720 32.487 31.823 -0.094 0.000 0.994 189 V HN 1.517 nan 8.190 nan 0.000 0.442 190 G N 3.761 112.516 108.800 -0.076 0.000 2.198 190 G HA2 -0.223 3.791 3.960 0.091 0.000 0.260 190 G HA3 -0.223 3.791 3.960 0.091 0.000 0.260 190 G C -0.102 174.759 174.900 -0.064 0.000 1.025 190 G CA 0.493 45.552 45.100 -0.069 0.000 0.769 190 G HN 0.710 nan 8.290 nan 0.000 0.507 191 E N -1.163 119.001 120.200 -0.061 0.000 2.199 191 E HA 0.424 4.829 4.350 0.091 0.000 0.269 191 E C 0.592 177.173 176.600 -0.032 0.000 0.899 191 E CA -0.696 55.676 56.400 -0.045 0.000 0.772 191 E CB 1.339 31.010 29.700 -0.049 0.000 1.155 191 E HN 0.067 nan 8.360 nan 0.000 0.408 192 D N 2.157 122.542 120.400 -0.025 0.000 2.219 192 D HA -0.115 4.580 4.640 0.091 0.000 0.205 192 D C 0.190 176.486 176.300 -0.007 0.000 0.970 192 D CA 1.167 55.154 54.000 -0.020 0.000 0.851 192 D CB 0.342 41.131 40.800 -0.019 0.000 0.943 192 D HN 0.075 nan 8.370 nan 0.000 0.488 193 K N 0.602 121.002 120.400 -0.001 0.000 2.459 193 K HA 0.259 4.634 4.320 0.091 0.000 0.218 193 K C -2.617 173.996 176.600 0.023 0.000 1.067 193 K CA -1.820 54.475 56.287 0.013 0.000 1.045 193 K CB 1.004 33.513 32.500 0.015 0.000 1.623 193 K HN -0.020 nan 8.250 nan 0.000 0.509 194 P HA -0.003 nan 4.420 nan 0.000 0.271 194 P C -1.040 176.306 177.300 0.078 0.000 1.216 194 P CA 0.063 63.188 63.100 0.041 0.000 0.771 194 P CB 0.787 32.512 31.700 0.043 0.000 0.864 195 E N 0.817 121.086 120.200 0.115 0.000 2.416 195 E HA 0.582 4.987 4.350 0.091 0.000 0.273 195 E C -0.971 175.815 176.600 0.309 0.000 0.935 195 E CA -1.025 55.478 56.400 0.173 0.000 0.784 195 E CB 1.447 31.238 29.700 0.151 0.000 1.301 195 E HN 0.313 nan 8.360 nan 0.000 0.454 196 S N 0.641 116.508 115.700 0.279 0.000 2.632 196 S HA 0.173 4.697 4.470 0.091 0.000 0.271 196 S C 1.193 175.946 174.600 0.254 0.000 1.260 196 S CA -0.550 57.827 58.200 0.295 0.000 1.010 196 S CB 1.434 64.755 63.200 0.201 0.000 0.965 196 S HN 0.450 nan 8.310 nan 0.000 0.534 197 V N 1.336 121.231 119.914 -0.031 0.000 2.282 197 V HA -0.208 3.967 4.120 0.091 0.000 0.249 197 V C 2.019 178.104 176.094 -0.014 0.000 1.057 197 V CA 2.477 64.617 62.300 -0.266 0.000 1.032 197 V CB -1.383 30.264 31.823 -0.293 0.000 0.645 197 V HN 0.940 nan 8.190 nan 0.000 0.447 198 Y N 1.407 121.639 120.300 -0.114 0.000 2.097 198 Y HA -0.289 4.315 4.550 0.090 0.000 0.282 198 Y C 2.335 178.138 175.900 -0.162 0.000 1.152 198 Y CA 2.256 60.176 58.100 -0.300 0.000 1.136 198 Y CB -0.494 37.705 38.460 -0.436 0.000 0.975 198 Y HN 0.347 nan 8.280 nan 0.000 0.498 199 D N -0.853 119.531 120.400 -0.026 0.000 2.117 199 D HA -0.158 4.536 4.640 0.091 0.000 0.197 199 D C 2.383 178.663 176.300 -0.033 0.000 0.987 199 D CA 1.735 55.705 54.000 -0.050 0.000 0.829 199 D CB -0.311 40.535 40.800 0.077 0.000 0.961 199 D HN 0.329 nan 8.370 nan 0.000 0.460 200 S N 0.099 115.843 115.700 0.074 0.000 2.348 200 S HA -0.098 4.427 4.470 0.091 0.000 0.221 200 S C 2.173 176.808 174.600 0.058 0.000 1.033 200 S CA 0.649 58.933 58.200 0.140 0.000 1.010 200 S CB -0.346 63.059 63.200 0.342 0.000 0.891 200 S HN 0.240 nan 8.310 nan 0.000 0.442 201 L N 1.078 122.280 121.223 -0.036 0.000 2.083 201 L HA -0.075 4.320 4.340 0.091 0.000 0.209 201 L C 2.713 179.518 176.870 -0.108 0.000 1.083 201 L CA 0.983 55.777 54.840 -0.078 0.000 0.752 201 L CB -0.416 41.522 42.059 -0.202 0.000 0.899 201 L HN 0.174 nan 8.230 nan 0.000 0.433 202 K N 0.391 120.642 120.400 -0.248 0.000 2.057 202 K HA -0.149 4.225 4.320 0.091 0.000 0.207 202 K C 1.882 178.411 176.600 -0.119 0.000 1.049 202 K CA 1.317 57.446 56.287 -0.264 0.000 0.931 202 K CB -0.273 31.973 32.500 -0.424 0.000 0.714 202 K HN 0.294 nan 8.250 nan 0.000 0.440 203 N N 1.240 119.901 118.700 -0.065 0.000 2.104 203 N HA -0.174 4.621 4.740 0.091 0.000 0.190 203 N C 1.782 177.310 175.510 0.029 0.000 1.024 203 N CA 1.525 54.571 53.050 -0.007 0.000 0.853 203 N CB -0.245 38.257 38.487 0.025 0.000 1.008 203 N HN 0.471 nan 8.380 nan 0.000 0.424 204 I N -4.299 116.316 120.570 0.074 0.000 3.883 204 I HA 0.379 4.604 4.170 0.091 0.000 0.326 204 I C 0.794 177.000 176.117 0.147 0.000 1.283 204 I CA 0.154 61.547 61.300 0.156 0.000 1.161 204 I CB -0.172 37.968 38.000 0.234 0.000 1.012 204 I HN 0.003 nan 8.210 nan 0.000 0.421 205 G N 1.546 110.348 108.800 0.005 0.000 2.256 205 G HA2 -0.311 3.704 3.960 0.091 0.000 0.272 205 G HA3 -0.311 3.704 3.960 0.091 0.000 0.272 205 G C -0.219 174.460 174.900 -0.369 0.000 1.076 205 G CA 0.273 45.271 45.100 -0.169 0.000 0.882 205 G HN 0.611 nan 8.290 nan 0.000 0.497 206 Y N -0.886 119.389 120.300 -0.042 0.000 2.716 206 Y HA 0.449 5.054 4.550 0.092 0.000 0.260 206 Y C 1.223 177.090 175.900 -0.054 0.000 1.141 206 Y CA -0.740 57.344 58.100 -0.028 0.000 1.168 206 Y CB 0.588 39.046 38.460 -0.003 0.000 1.189 206 Y HN 0.324 nan 8.280 nan 0.000 0.549 207 I N 1.220 121.784 120.570 -0.010 0.000 2.281 207 I HA 0.293 4.518 4.170 0.091 0.000 0.293 207 I C 1.045 177.176 176.117 0.024 0.000 1.085 207 I CA -0.126 61.179 61.300 0.008 0.000 1.257 207 I CB 0.293 38.255 38.000 -0.063 0.000 1.430 207 I HN 0.263 nan 8.210 nan 0.000 0.489 208 G N 3.867 112.712 108.800 0.074 0.000 2.535 208 G HA2 0.165 4.180 3.960 0.091 0.000 0.303 208 G HA3 0.165 4.180 3.960 0.091 0.000 0.303 208 G C 0.317 175.258 174.900 0.070 0.000 1.237 208 G CA -0.319 44.820 45.100 0.065 0.000 0.986 208 G HN 0.551 nan 8.290 nan 0.000 0.494 209 D N -0.887 119.546 120.400 0.055 0.000 2.277 209 D HA -0.001 4.693 4.640 0.091 0.000 0.209 209 D C 1.669 177.998 176.300 0.048 0.000 0.970 209 D CA 0.927 54.955 54.000 0.046 0.000 0.874 209 D CB 0.078 40.895 40.800 0.028 0.000 0.982 209 D HN 0.476 nan 8.370 nan 0.000 0.504 210 T N 0.859 115.444 114.554 0.052 0.000 2.919 210 T HA 0.289 4.693 4.350 0.091 0.000 0.302 210 T C -2.735 171.996 174.700 0.053 0.000 1.031 210 T CA -1.547 60.574 62.100 0.035 0.000 1.127 210 T CB 1.577 70.451 68.868 0.012 0.000 0.952 210 T HN -0.243 nan 8.240 nan 0.000 0.540 211 P HA 0.356 nan 4.420 nan 0.000 0.275 211 P C -0.674 176.678 177.300 0.086 0.000 1.227 211 P CA -0.612 62.512 63.100 0.040 0.000 0.781 211 P CB 0.414 32.113 31.700 -0.001 0.000 0.906 212 A N 1.904 124.794 122.820 0.116 0.000 3.037 212 A HA 0.455 4.829 4.320 0.091 0.000 0.272 212 A C 0.271 177.967 177.584 0.186 0.000 1.723 212 A CA 0.250 52.427 52.037 0.233 0.000 1.413 212 A CB -1.157 17.968 19.000 0.209 0.000 1.112 212 A HN 0.429 nan 8.150 nan 0.000 0.606 213 S N 0.661 116.420 115.700 0.100 0.000 2.562 213 S HA 0.372 4.896 4.470 0.091 0.000 0.274 213 S C 0.320 174.590 174.600 -0.550 0.000 1.160 213 S CA -0.462 57.680 58.200 -0.097 0.000 0.933 213 S CB 0.417 63.609 63.200 -0.013 0.000 1.100 213 S HN 1.002 nan 8.310 nan 0.000 0.468 214 Y N 3.744 123.308 120.300 -1.226 0.000 2.569 214 Y HA 0.254 4.859 4.550 0.091 0.000 0.293 214 Y C 1.468 176.989 175.900 -0.631 0.000 1.144 214 Y CA 1.146 58.365 58.100 -1.467 0.000 1.321 214 Y CB -0.227 37.059 38.460 -1.957 0.000 0.982 214 Y HN 0.590 nan 8.280 nan 0.000 0.558 215 K N 0.176 119.940 120.400 -1.061 0.000 2.243 215 K HA -0.015 4.360 4.320 0.091 0.000 0.201 215 K C 1.650 178.049 176.600 -0.335 0.000 1.051 215 K CA 1.130 56.978 56.287 -0.731 0.000 0.970 215 K CB 0.173 32.249 32.500 -0.707 0.000 0.755 215 K HN 0.422 nan 8.250 nan 0.000 0.465 216 E N -0.203 119.847 120.200 -0.250 0.000 2.290 216 E HA -0.010 4.394 4.350 0.091 0.000 0.199 216 E C 0.135 176.689 176.600 -0.076 0.000 0.912 216 E CA 0.343 56.666 56.400 -0.129 0.000 0.924 216 E CB 0.115 29.758 29.700 -0.095 0.000 0.901 216 E HN 0.024 nan 8.360 nan 0.000 0.487 217 N N 2.313 120.982 118.700 -0.053 0.000 3.044 217 N HA 0.052 4.847 4.740 0.091 0.000 0.254 217 N C -0.970 174.636 175.510 0.160 0.000 1.253 217 N CA 0.035 53.077 53.050 -0.012 0.000 0.944 217 N CB 0.291 38.723 38.487 -0.092 0.000 1.217 217 N HN -0.024 nan 8.380 nan 0.000 0.498 218 E N 1.662 121.935 120.200 0.122 0.000 2.343 218 E HA 0.306 4.711 4.350 0.091 0.000 0.269 218 E C 0.207 176.987 176.600 0.300 0.000 1.047 218 E CA -0.393 56.144 56.400 0.228 0.000 0.874 218 E CB 1.651 31.423 29.700 0.121 0.000 1.033 218 E HN 0.557 nan 8.360 nan 0.000 0.409 219 I N -1.706 119.116 120.570 0.420 0.000 2.892 219 I HA 0.354 4.578 4.170 0.091 0.000 0.306 219 I C 0.085 176.380 176.117 0.296 0.000 1.078 219 I CA -0.738 60.776 61.300 0.358 0.000 1.032 219 I CB 2.091 40.331 38.000 0.399 0.000 1.229 219 I HN 0.323 nan 8.210 nan 0.000 0.435 220 D N 2.450 123.002 120.400 0.253 0.000 2.240 220 D HA 0.410 5.104 4.640 0.091 0.000 0.206 220 D C 0.334 176.734 176.300 0.166 0.000 0.963 220 D CA 1.035 55.171 54.000 0.228 0.000 0.863 220 D CB 0.591 41.550 40.800 0.265 0.000 0.973 220 D HN 0.852 nan 8.370 nan 0.000 0.501 221 A N -1.261 121.612 122.820 0.088 0.000 2.566 221 A HA 0.466 4.841 4.320 0.091 0.000 0.290 221 A C -1.708 175.837 177.584 -0.064 0.000 1.071 221 A CA -0.682 51.260 52.037 -0.158 0.000 0.658 221 A CB 1.032 19.628 19.000 -0.674 0.000 1.285 221 A HN 0.239 nan 8.150 nan 0.000 0.427 222 H N 0.500 119.340 119.070 -0.382 0.000 3.108 222 H HA 0.558 5.168 4.556 0.091 0.000 0.329 222 H C -2.028 173.029 175.328 -0.453 0.000 0.978 222 H CA -0.259 55.650 56.048 -0.232 0.000 1.413 222 H CB 0.686 30.410 29.762 -0.063 0.000 1.670 222 H HN 0.458 nan 8.280 nan 0.000 0.512 223 F N 2.787 122.484 119.950 -0.422 0.000 2.421 223 F HA 0.295 4.877 4.527 0.091 0.000 0.337 223 F C 0.436 175.943 175.800 -0.489 0.000 1.105 223 F CA -0.515 57.245 58.000 -0.400 0.000 1.049 223 F CB 1.762 40.619 39.000 -0.237 0.000 1.139 223 F HN 0.474 nan 8.300 nan 0.000 0.479 224 E N 3.488 123.555 120.200 -0.222 0.000 2.241 224 E HA 0.388 4.793 4.350 0.091 0.000 0.263 224 E C -1.778 174.808 176.600 -0.024 0.000 0.882 224 E CA -1.043 55.273 56.400 -0.141 0.000 0.769 224 E CB 1.771 31.394 29.700 -0.128 0.000 1.185 224 E HN 0.566 nan 8.360 nan 0.000 0.415 225 L N 5.211 126.455 121.223 0.036 0.000 2.305 225 L HA 0.433 4.828 4.340 0.091 0.000 0.281 225 L C -1.179 175.783 176.870 0.153 0.000 1.085 225 L CA 0.044 54.932 54.840 0.080 0.000 0.813 225 L CB 0.948 43.040 42.059 0.055 0.000 1.157 225 L HN 0.615 nan 8.230 nan 0.000 0.436 226 H N 4.337 123.464 119.070 0.096 0.000 3.046 226 H HA 0.381 4.991 4.556 0.090 0.000 0.361 226 H C -0.881 174.432 175.328 -0.025 0.000 1.235 226 H CA -0.575 55.512 56.048 0.065 0.000 1.146 226 H CB 1.943 31.756 29.762 0.086 0.000 1.859 226 H HN 0.778 nan 8.280 nan 0.000 0.548 227 I N -0.163 120.318 120.570 -0.148 0.000 2.754 227 I HA 0.101 4.326 4.170 0.091 0.000 0.285 227 I C 1.410 177.254 176.117 -0.455 0.000 1.166 227 I CA -0.014 61.160 61.300 -0.209 0.000 1.417 227 I CB 0.854 38.740 38.000 -0.190 0.000 1.382 227 I HN 0.665 nan 8.210 nan 0.000 0.588 228 E N 3.137 122.977 120.200 -0.600 0.000 2.106 228 E HA -0.233 4.172 4.350 0.091 0.000 0.192 228 E C 0.773 177.030 176.600 -0.571 0.000 0.984 228 E CA 1.677 57.505 56.400 -0.953 0.000 0.806 228 E CB 0.071 29.522 29.700 -0.415 0.000 0.750 228 E HN 0.922 nan 8.360 nan 0.000 0.458 229 Q N -2.158 117.461 119.800 -0.302 0.000 2.282 229 Q HA -0.191 4.203 4.340 0.091 0.000 0.182 229 Q C 0.276 176.182 176.000 -0.158 0.000 0.609 229 Q CA 0.867 56.560 55.803 -0.184 0.000 1.397 229 Q CB -1.612 27.030 28.738 -0.159 0.000 1.458 229 Q HN 0.379 nan 8.270 nan 0.000 0.852 230 G N -0.361 108.337 108.800 -0.170 0.000 2.735 230 G HA2 0.559 4.574 3.960 0.091 0.000 0.301 230 G HA3 0.559 4.574 3.960 0.091 0.000 0.301 230 G C -2.424 172.410 174.900 -0.110 0.000 1.279 230 G CA -0.646 44.378 45.100 -0.127 0.000 1.019 230 G HN -0.089 nan 8.290 nan 0.000 0.497 231 P HA 0.120 nan 4.420 nan 0.000 0.251 231 P C 1.650 178.906 177.300 -0.072 0.000 1.223 231 P CA 0.072 63.129 63.100 -0.073 0.000 0.796 231 P CB 0.463 32.128 31.700 -0.059 0.000 1.068 232 I N 0.095 120.613 120.570 -0.087 0.000 2.127 232 I HA -0.257 3.967 4.170 0.091 0.000 0.241 232 I C 2.586 178.666 176.117 -0.063 0.000 1.075 232 I CA 1.527 62.778 61.300 -0.082 0.000 1.334 232 I CB -0.793 37.139 38.000 -0.114 0.000 1.040 232 I HN -0.154 nan 8.210 nan 0.000 0.405 233 L N 0.182 121.368 121.223 -0.061 0.000 2.083 233 L HA -0.217 4.177 4.340 0.091 0.000 0.209 233 L C 2.635 179.472 176.870 -0.056 0.000 1.083 233 L CA 1.600 56.407 54.840 -0.056 0.000 0.752 233 L CB -0.689 41.336 42.059 -0.056 0.000 0.899 233 L HN 0.376 nan 8.230 nan 0.000 0.433 234 E N 0.488 120.653 120.200 -0.058 0.000 2.072 234 E HA -0.245 4.160 4.350 0.091 0.000 0.191 234 E C 1.620 178.199 176.600 -0.035 0.000 0.985 234 E CA 1.463 57.836 56.400 -0.046 0.000 0.801 234 E CB 0.075 29.749 29.700 -0.044 0.000 0.750 234 E HN 0.346 nan 8.360 nan 0.000 0.452 235 D N 0.765 121.143 120.400 -0.037 0.000 2.149 235 D HA -0.152 4.543 4.640 0.091 0.000 0.198 235 D C 1.022 177.308 176.300 -0.024 0.000 0.990 235 D CA 1.207 55.189 54.000 -0.029 0.000 0.839 235 D CB -0.025 40.755 40.800 -0.033 0.000 0.948 235 D HN 0.393 nan 8.370 nan 0.000 0.460 236 E N -0.284 119.900 120.200 -0.027 0.000 2.465 236 E HA 0.111 4.516 4.350 0.091 0.000 0.195 236 E C -0.536 176.054 176.600 -0.017 0.000 1.028 236 E CA -0.215 56.173 56.400 -0.020 0.000 0.899 236 E CB -0.165 29.522 29.700 -0.021 0.000 1.032 236 E HN 0.277 nan 8.360 nan 0.000 0.468 237 N N 2.281 120.968 118.700 -0.021 0.000 2.714 237 N HA -0.164 4.631 4.740 0.091 0.000 0.252 237 N C -0.880 174.614 175.510 -0.026 0.000 1.014 237 N CA 0.561 53.599 53.050 -0.019 0.000 0.735 237 N CB -0.392 38.091 38.487 -0.006 0.000 0.924 237 N HN 0.040 nan 8.380 nan 0.000 0.540 238 K N 0.014 120.387 120.400 -0.044 0.000 2.123 238 K HA 0.591 4.966 4.320 0.091 0.000 0.259 238 K C 0.950 177.481 176.600 -0.114 0.000 0.960 238 K CA -0.123 56.123 56.287 -0.068 0.000 0.872 238 K CB 1.567 34.029 32.500 -0.064 0.000 1.079 238 K HN 0.140 nan 8.250 nan 0.000 0.440 239 A N 1.952 124.656 122.820 -0.193 0.000 1.956 239 A HA 0.198 4.573 4.320 0.091 0.000 0.212 239 A C 0.471 177.836 177.584 -0.365 0.000 1.188 239 A CA 0.811 52.664 52.037 -0.306 0.000 0.675 239 A CB 0.210 18.911 19.000 -0.498 0.000 0.845 239 A HN 0.568 nan 8.150 nan 0.000 0.455 240 I N -1.573 118.778 120.570 -0.365 0.000 2.722 240 I HA 0.545 4.770 4.170 0.091 0.000 0.295 240 I C -0.002 176.013 176.117 -0.170 0.000 1.161 240 I CA -0.198 60.925 61.300 -0.295 0.000 1.032 240 I CB 2.286 40.025 38.000 -0.436 0.000 1.244 240 I HN 0.098 nan 8.210 nan 0.000 0.421 241 G N 6.390 115.142 108.800 -0.079 0.000 2.417 241 G HA2 0.658 4.672 3.960 0.091 0.000 0.320 241 G HA3 0.658 4.672 3.960 0.091 0.000 0.320 241 G C -0.703 174.126 174.900 -0.119 0.000 1.204 241 G CA -0.433 44.636 45.100 -0.052 0.000 0.923 241 G HN 0.479 nan 8.290 nan 0.000 0.466 242 I N 2.713 123.204 120.570 -0.131 0.000 2.301 242 I HA 0.112 4.337 4.170 0.091 0.000 0.292 242 I C -0.025 176.016 176.117 -0.127 0.000 1.046 242 I CA -0.604 60.615 61.300 -0.134 0.000 1.282 242 I CB 1.461 39.393 38.000 -0.112 0.000 1.409 242 I HN 0.007 nan 8.210 nan 0.000 0.484 243 V N 5.912 125.705 119.914 -0.203 0.000 2.455 243 V HA 0.076 4.250 4.120 0.091 0.000 0.273 243 V C 1.273 177.436 176.094 0.115 0.000 1.045 243 V CA -0.033 62.157 62.300 -0.182 0.000 0.976 243 V CB 0.884 32.431 31.823 -0.460 0.000 0.993 243 V HN 0.909 nan 8.190 nan 0.000 0.475 244 T N 0.844 115.497 114.554 0.164 0.000 3.015 244 T HA 0.479 4.884 4.350 0.091 0.000 0.250 244 T C 0.748 175.522 174.700 0.124 0.000 1.057 244 T CA 0.486 62.700 62.100 0.191 0.000 1.066 244 T CB 0.636 69.574 68.868 0.117 0.000 0.959 244 T HN 1.017 nan 8.240 nan 0.000 0.488 245 G N 0.041 108.852 108.800 0.019 0.000 2.488 245 G HA2 0.520 4.534 3.960 0.091 0.000 0.301 245 G HA3 0.520 4.534 3.960 0.091 0.000 0.301 245 G C -2.214 172.560 174.900 -0.209 0.000 1.339 245 G CA -0.529 44.330 45.100 -0.402 0.000 0.803 245 G HN 0.259 nan 8.290 nan 0.000 0.482 246 V N 0.712 120.457 119.914 -0.282 0.000 2.709 246 V HA 0.519 4.693 4.120 0.091 0.000 0.308 246 V C 0.246 176.310 176.094 -0.050 0.000 1.062 246 V CA -0.834 61.456 62.300 -0.018 0.000 0.901 246 V CB 1.550 33.378 31.823 0.009 0.000 1.003 246 V HN 1.117 nan 8.190 nan 0.000 0.425 247 Q N 3.506 123.334 119.800 0.047 0.000 2.417 247 Q HA 0.666 5.061 4.340 0.091 0.000 0.241 247 Q C 0.053 176.089 176.000 0.061 0.000 1.008 247 Q CA -0.220 55.545 55.803 -0.064 0.000 0.901 247 Q CB 1.051 29.759 28.738 -0.052 0.000 1.259 247 Q HN 0.909 nan 8.270 nan 0.000 0.489 248 A N 1.958 124.790 122.820 0.020 0.000 2.371 248 A HA 0.522 4.897 4.320 0.091 0.000 0.257 248 A C -0.958 176.757 177.584 0.219 0.000 1.089 248 A CA -0.363 51.700 52.037 0.044 0.000 0.794 248 A CB -0.086 18.904 19.000 -0.017 0.000 1.029 248 A HN 0.762 nan 8.150 nan 0.000 0.488 249 Y N -0.705 119.606 120.300 0.017 0.000 2.655 249 Y HA 0.755 5.359 4.550 0.090 0.000 0.336 249 Y C -0.848 175.094 175.900 0.070 0.000 1.154 249 Y CA -1.328 56.827 58.100 0.092 0.000 1.055 249 Y CB 1.436 39.971 38.460 0.124 0.000 1.295 249 Y HN 0.665 nan 8.280 nan 0.000 0.465 250 N N 0.309 119.232 118.700 0.372 0.000 2.455 250 N HA 0.411 5.206 4.740 0.091 0.000 0.285 250 N C -2.535 173.358 175.510 0.637 0.000 1.080 250 N CA -0.420 52.810 53.050 0.299 0.000 0.932 250 N CB 1.307 39.945 38.487 0.252 0.000 1.610 250 N HN 0.623 nan 8.380 nan 0.000 0.493 251 W N 2.236 123.652 121.300 0.194 0.000 2.587 251 W HA 0.540 5.265 4.660 0.109 0.000 0.324 251 W C -0.302 176.303 176.519 0.142 0.000 1.040 251 W CA -0.507 56.944 57.345 0.177 0.000 1.222 251 W CB 1.342 30.894 29.460 0.154 0.000 1.381 251 W HN 0.416 nan 8.180 nan 0.000 0.483 252 Q N 1.702 121.700 119.800 0.331 0.000 2.451 252 Q HA 0.461 4.856 4.340 0.091 0.000 0.281 252 Q C -0.848 175.210 176.000 0.097 0.000 1.099 252 Q CA -1.154 54.778 55.803 0.214 0.000 0.806 252 Q CB 3.718 32.599 28.738 0.239 0.000 1.419 252 Q HN 0.259 nan 8.270 nan 0.000 0.427 253 K N 1.706 122.132 120.400 0.044 0.000 2.413 253 K HA 0.484 4.859 4.320 0.091 0.000 0.257 253 K C -1.535 174.991 176.600 -0.122 0.000 0.946 253 K CA -0.409 55.842 56.287 -0.060 0.000 0.823 253 K CB 1.483 33.974 32.500 -0.015 0.000 1.109 253 K HN 0.393 nan 8.250 nan 0.000 0.427 254 V N 3.076 122.770 119.914 -0.366 0.000 2.472 254 V HA 0.364 4.539 4.120 0.091 0.000 0.290 254 V C -0.327 175.575 176.094 -0.320 0.000 1.037 254 V CA -0.487 61.588 62.300 -0.375 0.000 0.908 254 V CB 1.929 33.349 31.823 -0.672 0.000 0.985 254 V HN 0.818 nan 8.190 nan 0.000 0.454 255 T N 4.076 118.561 114.554 -0.115 0.000 2.786 255 T HA 0.512 4.917 4.350 0.091 0.000 0.283 255 T C -0.478 174.145 174.700 -0.128 0.000 0.992 255 T CA -0.346 61.676 62.100 -0.131 0.000 0.954 255 T CB 1.476 70.263 68.868 -0.136 0.000 0.934 255 T HN 0.318 nan 8.240 nan 0.000 0.440 256 V N 4.207 124.050 119.914 -0.119 0.000 2.394 256 V HA 0.342 4.517 4.120 0.091 0.000 0.282 256 V C -0.470 175.515 176.094 -0.182 0.000 1.031 256 V CA -0.788 61.488 62.300 -0.041 0.000 0.881 256 V CB 0.834 32.691 31.823 0.057 0.000 0.982 256 V HN 0.883 nan 8.190 nan 0.000 0.451 257 H N 2.802 121.933 119.070 0.102 0.000 2.541 257 H HA 0.666 5.282 4.556 0.100 0.000 0.316 257 H C 0.539 175.908 175.328 0.068 0.000 1.043 257 H CA 0.348 56.441 56.048 0.074 0.000 1.232 257 H CB 1.649 31.449 29.762 0.063 0.000 1.406 257 H HN 0.854 nan 8.280 nan 0.000 0.469 258 G N 1.533 110.428 108.800 0.158 0.000 3.211 258 G HA2 0.510 4.525 3.960 0.091 0.000 0.167 258 G HA3 0.510 4.525 3.960 0.091 0.000 0.167 258 G C -1.133 173.826 174.900 0.098 0.000 1.212 258 G CA -0.557 44.609 45.100 0.111 0.000 0.928 258 G HN 0.447 nan 8.290 nan 0.000 0.607 259 V N 0.540 120.496 119.914 0.071 0.000 2.525 259 V HA 0.613 4.788 4.120 0.091 0.000 0.299 259 V C 0.621 176.741 176.094 0.043 0.000 1.034 259 V CA -0.467 61.867 62.300 0.057 0.000 0.863 259 V CB 1.207 33.058 31.823 0.047 0.000 0.999 259 V HN 0.982 nan 8.190 nan 0.000 0.423 260 G N 3.288 112.112 108.800 0.040 0.000 2.378 260 G HA2 0.622 4.637 3.960 0.091 0.000 0.255 260 G HA3 0.622 4.637 3.960 0.091 0.000 0.255 260 G C -0.109 174.803 174.900 0.019 0.000 1.270 260 G CA 0.695 45.810 45.100 0.026 0.000 0.876 260 G HN 1.305 nan 8.290 nan 0.000 0.521 261 A N 2.067 124.893 122.820 0.010 0.000 2.599 261 A HA 0.588 4.963 4.320 0.091 0.000 0.290 261 A C -0.716 176.883 177.584 0.025 0.000 1.101 261 A CA -0.791 51.260 52.037 0.022 0.000 0.674 261 A CB 0.881 19.896 19.000 0.024 0.000 1.277 261 A HN 0.839 nan 8.150 nan 0.000 0.419 262 H N 1.227 120.272 119.070 -0.041 0.000 2.975 262 H HA 0.331 4.944 4.556 0.094 0.000 0.303 262 H C 1.393 176.673 175.328 -0.079 0.000 1.023 262 H CA 0.794 56.811 56.048 -0.052 0.000 1.473 262 H CB 1.391 31.124 29.762 -0.048 0.000 1.498 262 H HN 0.758 nan 8.280 nan 0.000 0.549 263 A N 3.913 126.809 122.820 0.126 0.000 2.070 263 A HA -0.082 4.292 4.320 0.091 0.000 0.220 263 A C 2.235 179.870 177.584 0.085 0.000 1.159 263 A CA 1.365 53.434 52.037 0.054 0.000 0.656 263 A CB -0.272 18.710 19.000 -0.029 0.000 0.800 263 A HN 0.773 nan 8.150 nan 0.000 0.453 264 G N -1.663 107.330 108.800 0.321 0.000 2.796 264 G HA2 0.159 4.174 3.960 0.091 0.000 0.210 264 G HA3 0.159 4.174 3.960 0.091 0.000 0.210 264 G C 1.254 176.041 174.900 -0.188 0.000 1.146 264 G CA 1.384 46.489 45.100 0.008 0.000 0.779 264 G HN 0.697 nan 8.290 nan 0.000 0.535 265 T N -2.883 111.512 114.554 -0.264 0.000 3.043 265 T HA 0.188 4.593 4.350 0.091 0.000 0.272 265 T C 0.539 175.141 174.700 -0.163 0.000 0.990 265 T CA 0.013 61.958 62.100 -0.258 0.000 0.897 265 T CB 0.498 69.147 68.868 -0.365 0.000 1.111 265 T HN -0.067 nan 8.240 nan 0.000 0.529 266 T N 5.678 120.149 114.554 -0.139 0.000 2.727 266 T HA 0.453 4.857 4.350 0.091 0.000 0.298 266 T C -2.564 172.016 174.700 -0.200 0.000 0.942 266 T CA -1.136 60.891 62.100 -0.122 0.000 0.997 266 T CB 1.139 69.960 68.868 -0.079 0.000 0.917 266 T HN 0.249 nan 8.240 nan 0.000 0.487 267 P HA 0.093 nan 4.420 nan 0.000 0.272 267 P C 0.327 177.552 177.300 -0.125 0.000 1.230 267 P CA -0.575 62.422 63.100 -0.173 0.000 0.788 267 P CB 0.986 32.657 31.700 -0.048 0.000 0.949 268 W N 1.572 122.875 121.300 0.004 0.000 2.304 268 W HA -0.242 4.469 4.660 0.086 0.000 0.315 268 W C 2.635 179.159 176.519 0.007 0.000 1.233 268 W CA 1.551 58.899 57.345 0.005 0.000 1.261 268 W CB -0.968 28.494 29.460 0.003 0.000 1.150 268 W HN 0.432 nan 8.180 nan 0.000 0.494 269 R N 0.496 121.135 120.500 0.230 0.000 2.303 269 R HA -0.097 4.297 4.340 0.091 0.000 0.225 269 R C 1.310 177.665 176.300 0.093 0.000 1.114 269 R CA 1.424 57.606 56.100 0.137 0.000 1.007 269 R CB -0.881 29.479 30.300 0.100 0.000 0.861 269 R HN 0.320 nan 8.270 nan 0.000 0.471 270 L N -0.001 121.267 121.223 0.075 0.000 2.817 270 L HA 0.286 4.681 4.340 0.091 0.000 0.248 270 L C 0.473 177.371 176.870 0.047 0.000 1.133 270 L CA -0.429 54.438 54.840 0.046 0.000 0.935 270 L CB 0.257 42.328 42.059 0.019 0.000 1.266 270 L HN 0.019 nan 8.230 nan 0.000 0.535 271 R N 1.976 122.516 120.500 0.067 0.000 2.491 271 R HA 0.191 4.586 4.340 0.091 0.000 0.283 271 R C -0.225 176.123 176.300 0.079 0.000 1.072 271 R CA 0.163 56.301 56.100 0.063 0.000 1.048 271 R CB 0.626 30.979 30.300 0.088 0.000 0.983 271 R HN -0.000 nan 8.270 nan 0.000 0.450 272 K N 2.637 123.076 120.400 0.064 0.000 2.606 272 K HA 0.095 4.470 4.320 0.091 0.000 0.196 272 K C -0.989 175.650 176.600 0.064 0.000 1.048 272 K CA -0.518 55.810 56.287 0.069 0.000 1.017 272 K CB 1.029 33.569 32.500 0.067 0.000 1.413 272 K HN 0.418 nan 8.250 nan 0.000 0.568 273 D N 1.666 122.108 120.400 0.070 0.000 2.352 273 D HA 0.157 4.852 4.640 0.091 0.000 0.245 273 D C 0.870 177.196 176.300 0.043 0.000 1.224 273 D CA -0.102 53.931 54.000 0.056 0.000 0.879 273 D CB 1.407 42.252 40.800 0.076 0.000 1.057 273 D HN 0.520 nan 8.370 nan 0.000 0.491 274 A N 4.098 126.939 122.820 0.035 0.000 2.014 274 A HA -0.126 4.249 4.320 0.091 0.000 0.218 274 A C 1.789 179.373 177.584 0.001 0.000 1.163 274 A CA 0.562 52.615 52.037 0.026 0.000 0.652 274 A CB -0.134 18.883 19.000 0.029 0.000 0.808 274 A HN 0.557 nan 8.150 nan 0.000 0.449 275 L N -1.063 120.156 121.223 -0.005 0.000 2.162 275 L HA 0.106 4.500 4.340 0.091 0.000 0.205 275 L C 2.078 178.918 176.870 -0.049 0.000 1.086 275 L CA 1.335 56.154 54.840 -0.035 0.000 0.778 275 L CB -0.605 41.437 42.059 -0.030 0.000 0.928 275 L HN 0.316 nan 8.230 nan 0.000 0.446 276 L N -0.665 120.551 121.223 -0.012 0.000 2.012 276 L HA -0.215 4.179 4.340 0.091 0.000 0.210 276 L C 2.475 179.323 176.870 -0.037 0.000 1.073 276 L CA 2.253 57.089 54.840 -0.006 0.000 0.748 276 L CB -0.693 41.395 42.059 0.048 0.000 0.891 276 L HN 0.411 nan 8.230 nan 0.000 0.431 277 M N -0.857 118.725 119.600 -0.029 0.000 2.080 277 M HA -0.207 4.328 4.480 0.091 0.000 0.260 277 M C 2.334 178.557 176.300 -0.127 0.000 1.068 277 M CA 2.208 57.477 55.300 -0.052 0.000 1.109 277 M CB -0.651 31.937 32.600 -0.021 0.000 1.342 277 M HN 0.302 nan 8.290 nan 0.000 0.405 278 S N -0.147 115.454 115.700 -0.165 0.000 2.368 278 S HA -0.138 4.386 4.470 0.091 0.000 0.225 278 S C 1.946 176.288 174.600 -0.430 0.000 1.030 278 S CA 1.519 59.496 58.200 -0.372 0.000 0.999 278 S CB -0.554 62.422 63.200 -0.373 0.000 0.844 278 S HN 0.613 nan 8.310 nan 0.000 0.459 279 S N 1.549 117.096 115.700 -0.254 0.000 2.365 279 S HA -0.150 4.375 4.470 0.091 0.000 0.225 279 S C 1.854 176.367 174.600 -0.144 0.000 1.039 279 S CA 1.335 59.424 58.200 -0.186 0.000 1.033 279 S CB -0.270 62.865 63.200 -0.109 0.000 0.887 279 S HN 0.463 nan 8.310 nan 0.000 0.447 280 K N 0.588 120.920 120.400 -0.113 0.000 2.103 280 K HA 0.006 4.381 4.320 0.091 0.000 0.207 280 K C 2.199 178.766 176.600 -0.055 0.000 1.048 280 K CA 1.318 57.564 56.287 -0.067 0.000 0.930 280 K CB -0.212 32.260 32.500 -0.046 0.000 0.716 280 K HN 0.334 nan 8.250 nan 0.000 0.444 281 M N 0.049 119.575 119.600 -0.123 0.000 2.132 281 M HA -0.136 4.399 4.480 0.091 0.000 0.263 281 M C 2.081 178.380 176.300 -0.002 0.000 1.065 281 M CA 1.523 56.776 55.300 -0.078 0.000 1.122 281 M CB -0.219 32.134 32.600 -0.412 0.000 1.365 281 M HN 0.097 nan 8.290 nan 0.000 0.411 282 I N -0.579 119.899 120.570 -0.154 0.000 2.226 282 I HA -0.251 3.974 4.170 0.091 0.000 0.245 282 I C 2.258 178.392 176.117 0.027 0.000 1.100 282 I CA 0.978 62.267 61.300 -0.020 0.000 1.374 282 I CB -0.297 37.644 38.000 -0.099 0.000 1.057 282 I HN 0.055 nan 8.210 nan 0.000 0.413 283 V N 0.839 120.748 119.914 -0.009 0.000 2.343 283 V HA -0.286 3.889 4.120 0.091 0.000 0.247 283 V C 2.617 178.709 176.094 -0.004 0.000 1.051 283 V CA 2.026 64.331 62.300 0.008 0.000 1.036 283 V CB -0.912 30.907 31.823 -0.007 0.000 0.654 283 V HN 0.501 nan 8.190 nan 0.000 0.451 284 A N -0.254 122.566 122.820 0.001 0.000 1.929 284 A HA 0.028 4.403 4.320 0.091 0.000 0.216 284 A C 2.397 179.953 177.584 -0.046 0.000 1.176 284 A CA 1.667 53.710 52.037 0.010 0.000 0.628 284 A CB -0.638 18.403 19.000 0.069 0.000 0.816 284 A HN 0.535 nan 8.150 nan 0.000 0.444 285 A N -0.765 121.970 122.820 -0.143 0.000 1.933 285 A HA -0.090 4.285 4.320 0.091 0.000 0.218 285 A C 2.449 179.742 177.584 -0.485 0.000 1.175 285 A CA 2.060 53.846 52.037 -0.419 0.000 0.628 285 A CB -0.921 17.502 19.000 -0.961 0.000 0.814 285 A HN 0.507 nan 8.150 nan 0.000 0.444 286 S N -0.401 115.094 115.700 -0.341 0.000 2.359 286 S HA -0.220 4.305 4.470 0.091 0.000 0.224 286 S C 1.906 176.561 174.600 0.092 0.000 1.035 286 S CA 1.843 60.100 58.200 0.095 0.000 1.018 286 S CB -0.359 62.968 63.200 0.213 0.000 0.876 286 S HN 0.676 nan 8.310 nan 0.000 0.448 287 E N 0.268 120.492 120.200 0.040 0.000 2.110 287 E HA -0.093 4.312 4.350 0.091 0.000 0.193 287 E C 2.038 178.672 176.600 0.056 0.000 0.988 287 E CA 1.322 57.747 56.400 0.043 0.000 0.804 287 E CB -0.224 29.487 29.700 0.017 0.000 0.745 287 E HN 0.547 nan 8.360 nan 0.000 0.458 288 I N 1.084 121.690 120.570 0.061 0.000 2.179 288 I HA -0.286 3.939 4.170 0.091 0.000 0.242 288 I C 2.518 178.772 176.117 0.228 0.000 1.088 288 I CA 1.029 62.397 61.300 0.113 0.000 1.357 288 I CB -0.260 37.779 38.000 0.064 0.000 1.051 288 I HN 0.097 nan 8.210 nan 0.000 0.409 289 A N -0.219 122.768 122.820 0.277 0.000 1.883 289 A HA -0.299 4.076 4.320 0.091 0.000 0.217 289 A C 2.283 180.028 177.584 0.268 0.000 1.186 289 A CA 1.848 54.098 52.037 0.354 0.000 0.624 289 A CB -0.725 18.546 19.000 0.451 0.000 0.822 289 A HN 0.474 nan 8.150 nan 0.000 0.444 290 Q N -1.001 118.914 119.800 0.191 0.000 2.084 290 Q HA -0.179 4.216 4.340 0.091 0.000 0.202 290 Q C 2.382 178.434 176.000 0.086 0.000 0.978 290 Q CA 1.467 57.351 55.803 0.135 0.000 0.844 290 Q CB -0.138 28.659 28.738 0.099 0.000 0.898 290 Q HN 0.657 nan 8.270 nan 0.000 0.426 291 R N -0.659 119.862 120.500 0.034 0.000 2.105 291 R HA -0.180 4.215 4.340 0.091 0.000 0.239 291 R C 0.834 177.027 176.300 -0.178 0.000 1.135 291 R CA 1.777 57.816 56.100 -0.102 0.000 0.967 291 R CB -0.039 30.145 30.300 -0.193 0.000 0.861 291 R HN 0.425 nan 8.270 nan 0.000 0.442 292 H N -1.160 117.946 119.070 0.060 0.000 2.529 292 H HA 0.146 4.756 4.556 0.090 0.000 0.277 292 H C 0.030 175.459 175.328 0.169 0.000 1.004 292 H CA 0.237 56.315 56.048 0.050 0.000 1.167 292 H CB 0.343 30.081 29.762 -0.039 0.000 1.445 292 H HN 0.243 nan 8.280 nan 0.000 0.554 293 N N 0.232 119.086 118.700 0.257 0.000 2.735 293 N HA -0.149 4.646 4.740 0.091 0.000 0.248 293 N C 0.185 175.899 175.510 0.340 0.000 1.083 293 N CA 0.777 53.981 53.050 0.258 0.000 0.703 293 N CB -0.913 37.700 38.487 0.209 0.000 1.005 293 N HN 0.596 nan 8.380 nan 0.000 0.550 294 G N -0.999 108.055 108.800 0.424 0.000 2.828 294 G HA2 0.774 4.788 3.960 0.091 0.000 0.244 294 G HA3 0.774 4.788 3.960 0.091 0.000 0.244 294 G C -0.633 174.456 174.900 0.315 0.000 1.365 294 G CA -0.676 44.694 45.100 0.450 0.000 1.041 294 G HN 0.178 nan 8.290 nan 0.000 0.560 295 L N -0.576 120.843 121.223 0.326 0.000 2.381 295 L HA 0.599 4.994 4.340 0.091 0.000 0.268 295 L C -1.456 175.610 176.870 0.325 0.000 0.997 295 L CA -0.716 54.283 54.840 0.265 0.000 0.818 295 L CB 2.505 44.666 42.059 0.170 0.000 1.310 295 L HN 0.492 nan 8.230 nan 0.000 0.416 296 F N 1.219 121.203 119.950 0.056 0.000 2.547 296 F HA 0.737 5.316 4.527 0.087 0.000 0.316 296 F C -0.883 174.845 175.800 -0.120 0.000 1.121 296 F CA -0.126 57.789 58.000 -0.141 0.000 0.911 296 F CB 2.121 40.994 39.000 -0.211 0.000 1.179 296 F HN 0.355 nan 8.300 nan 0.000 0.443 297 T N 4.760 118.609 114.554 -1.175 0.000 2.912 297 T HA 0.372 4.776 4.350 0.091 0.000 0.299 297 T C -1.620 172.353 174.700 -1.212 0.000 1.052 297 T CA -0.620 60.859 62.100 -1.035 0.000 0.996 297 T CB 1.291 69.871 68.868 -0.480 0.000 1.070 297 T HN 0.786 nan 8.240 nan 0.000 0.465 298 C N 2.411 121.216 119.300 -0.825 0.000 2.281 298 C HA 0.773 5.287 4.460 0.091 0.000 0.323 298 C C 1.507 176.354 174.990 -0.239 0.000 1.270 298 C CA -0.070 58.726 59.018 -0.370 0.000 1.559 298 C CB -0.836 26.849 27.740 -0.092 0.000 2.239 298 C HN 1.137 nan 8.230 nan 0.000 0.488 299 G N 4.709 113.380 108.800 -0.216 0.000 2.784 299 G HA2 0.279 4.294 3.960 0.091 0.000 0.208 299 G HA3 0.279 4.294 3.960 0.091 0.000 0.208 299 G C 0.250 175.077 174.900 -0.122 0.000 1.120 299 G CA 0.185 45.179 45.100 -0.178 0.000 0.774 299 G HN 0.674 nan 8.290 nan 0.000 0.528 300 I N 0.899 121.414 120.570 -0.091 0.000 2.466 300 I HA 0.543 4.767 4.170 0.091 0.000 0.289 300 I C -1.393 174.741 176.117 0.028 0.000 1.026 300 I CA -0.741 60.532 61.300 -0.046 0.000 1.078 300 I CB 2.463 40.423 38.000 -0.066 0.000 1.249 300 I HN -0.073 nan 8.210 nan 0.000 0.429 301 I N 5.765 126.353 120.570 0.030 0.000 2.656 301 I HA 0.431 4.656 4.170 0.091 0.000 0.292 301 I C -1.773 174.381 176.117 0.061 0.000 1.144 301 I CA -0.279 61.063 61.300 0.071 0.000 1.038 301 I CB 2.130 40.149 38.000 0.032 0.000 1.244 301 I HN 0.486 nan 8.210 nan 0.000 0.420 302 D N 7.001 127.449 120.400 0.080 0.000 2.863 302 D HA 0.546 5.240 4.640 0.091 0.000 0.245 302 D C -1.096 175.262 176.300 0.097 0.000 1.211 302 D CA -0.261 53.787 54.000 0.081 0.000 0.888 302 D CB 2.403 43.229 40.800 0.044 0.000 1.483 302 D HN 0.555 nan 8.370 nan 0.000 0.533 303 A N 2.394 125.301 122.820 0.145 0.000 2.330 303 A HA 0.655 5.030 4.320 0.091 0.000 0.327 303 A C -0.311 177.376 177.584 0.172 0.000 1.155 303 A CA -0.643 51.470 52.037 0.126 0.000 0.803 303 A CB 1.269 20.317 19.000 0.081 0.000 1.208 303 A HN 0.387 nan 8.150 nan 0.000 0.477 304 K N 2.732 123.197 120.400 0.108 0.000 2.318 304 K HA 0.498 4.873 4.320 0.091 0.000 0.249 304 K C -2.416 174.230 176.600 0.076 0.000 0.942 304 K CA -1.741 54.611 56.287 0.108 0.000 0.808 304 K CB 2.583 35.129 32.500 0.077 0.000 1.189 304 K HN 0.408 nan 8.250 nan 0.000 0.428 305 P HA 0.010 nan 4.420 nan 0.000 0.267 305 P C -0.933 176.477 177.300 0.183 0.000 1.289 305 P CA -0.086 63.072 63.100 0.097 0.000 0.866 305 P CB 0.094 31.829 31.700 0.059 0.000 1.309 306 Y N -0.035 120.258 120.300 -0.012 0.000 2.969 306 Y HA -0.122 4.415 4.550 -0.022 0.000 0.087 306 Y C -0.862 175.025 175.900 -0.021 0.000 2.199 306 Y CA 0.635 58.726 58.100 -0.015 0.000 1.061 306 Y CB -1.685 36.769 38.460 -0.010 0.000 1.722 306 Y HN 0.209 nan 8.280 nan 0.000 0.316 307 S N 1.702 117.319 115.700 -0.138 0.000 2.558 307 S HA 0.530 5.055 4.470 0.091 0.000 0.277 307 S C 0.161 174.667 174.600 -0.157 0.000 1.143 307 S CA -0.396 57.726 58.200 -0.129 0.000 0.865 307 S CB 1.082 64.252 63.200 -0.049 0.000 1.102 307 S HN 0.570 nan 8.310 nan 0.000 0.454 308 V N 2.700 122.528 119.914 -0.142 0.000 2.380 308 V HA -0.156 4.019 4.120 0.091 0.000 0.251 308 V C 1.644 177.672 176.094 -0.110 0.000 1.063 308 V CA 2.381 64.607 62.300 -0.124 0.000 1.055 308 V CB -1.067 30.701 31.823 -0.092 0.000 0.657 308 V HN 0.923 nan 8.190 nan 0.000 0.455 309 N N -0.223 118.403 118.700 -0.123 0.000 2.321 309 N HA 0.242 5.037 4.740 0.091 0.000 0.242 309 N C -0.352 175.039 175.510 -0.199 0.000 1.141 309 N CA 0.015 52.971 53.050 -0.156 0.000 0.864 309 N CB -0.092 38.279 38.487 -0.192 0.000 1.100 309 N HN 0.461 nan 8.380 nan 0.000 0.510 310 I N 0.743 121.232 120.570 -0.135 0.000 2.436 310 I HA 0.356 4.581 4.170 0.091 0.000 0.289 310 I C -0.073 176.005 176.117 -0.066 0.000 1.010 310 I CA -1.099 60.139 61.300 -0.103 0.000 1.098 310 I CB 1.967 39.921 38.000 -0.076 0.000 1.266 310 I HN -0.144 nan 8.210 nan 0.000 0.434 311 I N 7.838 128.380 120.570 -0.046 0.000 2.742 311 I HA 0.028 4.252 4.170 0.091 0.000 0.287 311 I C -2.050 174.061 176.117 -0.009 0.000 1.186 311 I CA -1.144 60.140 61.300 -0.026 0.000 1.417 311 I CB -0.084 37.907 38.000 -0.016 0.000 1.377 311 I HN 0.207 nan 8.210 nan 0.000 0.556 312 P HA 0.011 nan 4.420 nan 0.000 0.267 312 P C 0.761 178.078 177.300 0.028 0.000 1.205 312 P CA 0.180 63.287 63.100 0.011 0.000 0.765 312 P CB 0.834 32.538 31.700 0.007 0.000 0.828 313 G N 2.355 111.179 108.800 0.040 0.000 2.744 313 G HA2 -0.005 4.009 3.960 0.091 0.000 0.211 313 G HA3 -0.005 4.009 3.960 0.091 0.000 0.211 313 G C 0.117 175.059 174.900 0.069 0.000 1.146 313 G CA 0.259 45.394 45.100 0.059 0.000 0.787 313 G HN 0.545 nan 8.290 nan 0.000 0.534 314 E N -0.193 120.034 120.200 0.045 0.000 2.311 314 E HA 0.459 4.863 4.350 0.091 0.000 0.281 314 E C -1.892 174.710 176.600 0.003 0.000 0.905 314 E CA -0.464 55.937 56.400 0.002 0.000 0.778 314 E CB 2.528 32.245 29.700 0.028 0.000 1.240 314 E HN -0.100 nan 8.360 nan 0.000 0.410 315 V N 2.749 122.655 119.914 -0.014 0.000 2.577 315 V HA 0.438 4.612 4.120 0.091 0.000 0.303 315 V C -0.424 175.716 176.094 0.077 0.000 1.042 315 V CA -0.713 61.617 62.300 0.049 0.000 0.872 315 V CB 1.965 33.827 31.823 0.066 0.000 0.998 315 V HN 0.618 nan 8.190 nan 0.000 0.423 316 S N 5.127 120.880 115.700 0.089 0.000 2.451 316 S HA 0.886 5.411 4.470 0.091 0.000 0.301 316 S C -0.756 173.956 174.600 0.187 0.000 1.116 316 S CA -0.450 57.790 58.200 0.068 0.000 1.093 316 S CB 0.939 64.150 63.200 0.017 0.000 1.017 316 S HN 0.676 nan 8.310 nan 0.000 0.482 317 F N -0.282 119.652 119.950 -0.026 0.000 2.631 317 F HA 0.754 5.328 4.527 0.077 0.000 0.308 317 F C -0.242 175.553 175.800 -0.009 0.000 1.097 317 F CA -1.054 56.930 58.000 -0.027 0.000 0.952 317 F CB 0.819 39.800 39.000 -0.032 0.000 1.307 317 F HN 0.456 nan 8.300 nan 0.000 0.450 318 T N 0.997 115.597 114.554 0.076 0.000 2.928 318 T HA 0.764 5.169 4.350 0.091 0.000 0.284 318 T C -0.866 173.856 174.700 0.037 0.000 1.008 318 T CA -0.778 61.299 62.100 -0.038 0.000 1.057 318 T CB 1.584 70.376 68.868 -0.126 0.000 1.018 318 T HN 0.776 nan 8.240 nan 0.000 0.493 319 L N 2.308 123.550 121.223 0.032 0.000 2.376 319 L HA 0.465 4.859 4.340 0.091 0.000 0.275 319 L C -0.769 176.113 176.870 0.020 0.000 0.987 319 L CA -0.875 54.036 54.840 0.118 0.000 0.828 319 L CB 1.875 44.145 42.059 0.352 0.000 1.249 319 L HN 0.754 nan 8.230 nan 0.000 0.409 320 D N 3.820 124.108 120.400 -0.186 0.000 2.460 320 D HA 0.351 5.046 4.640 0.091 0.000 0.232 320 D C -1.237 175.095 176.300 0.052 0.000 1.079 320 D CA -0.140 53.840 54.000 -0.033 0.000 0.864 320 D CB 0.763 41.414 40.800 -0.247 0.000 1.048 320 D HN 0.146 nan 8.370 nan 0.000 0.523 321 F N 3.098 123.266 119.950 0.362 0.000 2.443 321 F HA 0.514 5.100 4.527 0.098 0.000 0.335 321 F C 0.887 176.873 175.800 0.311 0.000 1.104 321 F CA -0.730 57.474 58.000 0.339 0.000 1.013 321 F CB 1.404 40.580 39.000 0.292 0.000 1.136 321 F HN -0.009 nan 8.300 nan 0.000 0.470 322 R N 2.699 123.494 120.500 0.492 0.000 2.651 322 R HA 0.464 4.859 4.340 0.091 0.000 0.278 322 R C -1.620 174.886 176.300 0.343 0.000 1.010 322 R CA -1.005 55.317 56.100 0.370 0.000 0.896 322 R CB 2.727 33.195 30.300 0.280 0.000 1.211 322 R HN 0.674 nan 8.270 nan 0.000 0.456 323 H N 2.578 121.730 119.070 0.136 0.000 3.085 323 H HA 0.154 4.764 4.556 0.090 0.000 0.356 323 H C -2.173 173.109 175.328 -0.076 0.000 1.178 323 H CA -1.548 54.528 56.048 0.047 0.000 1.214 323 H CB 3.003 32.778 29.762 0.022 0.000 1.881 323 H HN 0.258 nan 8.280 nan 0.000 0.538 324 P HA -0.127 nan 4.420 nan 0.000 0.219 324 P C 0.585 177.752 177.300 -0.221 0.000 1.146 324 P CA 0.812 63.583 63.100 -0.548 0.000 0.808 324 P CB 0.424 31.516 31.700 -1.014 0.000 0.779 325 S N -0.071 115.703 115.700 0.123 0.000 2.457 325 S HA 0.159 4.684 4.470 0.091 0.000 0.289 325 S C 1.024 175.633 174.600 0.015 0.000 1.163 325 S CA -0.722 57.518 58.200 0.067 0.000 1.078 325 S CB 0.267 63.528 63.200 0.103 0.000 0.987 325 S HN -0.124 nan 8.310 nan 0.000 0.482 326 D N 4.030 124.398 120.400 -0.054 0.000 2.116 326 D HA -0.144 4.551 4.640 0.091 0.000 0.193 326 D C 0.987 177.230 176.300 -0.095 0.000 0.998 326 D CA 1.722 55.678 54.000 -0.073 0.000 0.836 326 D CB -0.142 40.606 40.800 -0.086 0.000 0.951 326 D HN 0.687 nan 8.370 nan 0.000 0.449 327 D N 0.273 120.612 120.400 -0.102 0.000 2.117 327 D HA -0.105 4.590 4.640 0.091 0.000 0.197 327 D C 2.284 178.474 176.300 -0.184 0.000 0.987 327 D CA 0.404 54.331 54.000 -0.123 0.000 0.829 327 D CB -0.397 40.343 40.800 -0.101 0.000 0.961 327 D HN 0.102 nan 8.370 nan 0.000 0.460 328 V N 0.728 120.499 119.914 -0.237 0.000 2.358 328 V HA -0.167 4.008 4.120 0.091 0.000 0.246 328 V C 2.315 178.161 176.094 -0.414 0.000 1.047 328 V CA 0.897 62.945 62.300 -0.420 0.000 1.035 328 V CB -0.478 30.895 31.823 -0.750 0.000 0.658 328 V HN 0.144 nan 8.190 nan 0.000 0.452 329 L N 1.304 122.378 121.223 -0.248 0.000 2.012 329 L HA -0.162 4.233 4.340 0.091 0.000 0.210 329 L C 2.494 179.232 176.870 -0.221 0.000 1.073 329 L CA 2.505 57.252 54.840 -0.155 0.000 0.748 329 L CB -1.057 40.988 42.059 -0.024 0.000 0.891 329 L HN 0.230 nan 8.230 nan 0.000 0.431 330 A N -1.662 121.043 122.820 -0.190 0.000 1.917 330 A HA -0.247 4.128 4.320 0.091 0.000 0.219 330 A C 2.264 179.706 177.584 -0.235 0.000 1.182 330 A CA 2.500 54.426 52.037 -0.184 0.000 0.633 330 A CB -1.286 17.629 19.000 -0.141 0.000 0.819 330 A HN 0.561 nan 8.150 nan 0.000 0.448 331 T N -0.146 114.236 114.554 -0.287 0.000 2.708 331 T HA -0.151 4.253 4.350 0.091 0.000 0.266 331 T C 1.960 176.407 174.700 -0.423 0.000 1.037 331 T CA 1.779 63.677 62.100 -0.336 0.000 1.146 331 T CB -0.314 68.315 68.868 -0.398 0.000 0.865 331 T HN 0.447 nan 8.240 nan 0.000 0.435 332 M N 0.508 119.789 119.600 -0.531 0.000 2.082 332 M HA -0.069 4.465 4.480 0.091 0.000 0.258 332 M C 2.223 178.153 176.300 -0.617 0.000 1.069 332 M CA 1.686 56.663 55.300 -0.539 0.000 1.102 332 M CB -0.619 31.691 32.600 -0.484 0.000 1.336 332 M HN 0.183 nan 8.290 nan 0.000 0.404 333 L N -0.413 120.450 121.223 -0.599 0.000 2.046 333 L HA -0.244 4.150 4.340 0.091 0.000 0.208 333 L C 2.545 179.219 176.870 -0.328 0.000 1.077 333 L CA 1.377 55.907 54.840 -0.515 0.000 0.747 333 L CB -0.662 41.209 42.059 -0.312 0.000 0.896 333 L HN 0.320 nan 8.230 nan 0.000 0.432 334 K N 0.310 120.554 120.400 -0.260 0.000 2.057 334 K HA -0.190 4.185 4.320 0.091 0.000 0.207 334 K C 1.951 178.439 176.600 -0.187 0.000 1.049 334 K CA 1.400 57.579 56.287 -0.181 0.000 0.931 334 K CB 0.075 32.488 32.500 -0.145 0.000 0.714 334 K HN 0.318 nan 8.250 nan 0.000 0.440 335 E N -0.088 119.981 120.200 -0.218 0.000 2.072 335 E HA -0.165 4.240 4.350 0.091 0.000 0.191 335 E C 1.989 178.434 176.600 -0.260 0.000 0.985 335 E CA 0.862 57.154 56.400 -0.180 0.000 0.801 335 E CB -0.087 29.543 29.700 -0.118 0.000 0.750 335 E HN 0.411 nan 8.360 nan 0.000 0.452 336 A N 1.824 124.416 122.820 -0.381 0.000 1.865 336 A HA -0.206 4.169 4.320 0.091 0.000 0.217 336 A C 2.446 179.513 177.584 -0.861 0.000 1.191 336 A CA 1.996 53.649 52.037 -0.641 0.000 0.623 336 A CB -0.844 17.822 19.000 -0.557 0.000 0.826 336 A HN 0.305 nan 8.150 nan 0.000 0.444 337 A N -0.219 122.333 122.820 -0.448 0.000 1.883 337 A HA 0.078 4.453 4.320 0.091 0.000 0.217 337 A C 2.551 180.100 177.584 -0.058 0.000 1.186 337 A CA 2.553 54.497 52.037 -0.154 0.000 0.624 337 A CB -1.187 17.812 19.000 -0.002 0.000 0.822 337 A HN 1.212 nan 8.150 nan 0.000 0.444 338 A N -0.616 122.150 122.820 -0.090 0.000 1.940 338 A HA -0.169 4.206 4.320 0.091 0.000 0.219 338 A C 1.977 179.550 177.584 -0.018 0.000 1.176 338 A CA 2.228 54.248 52.037 -0.028 0.000 0.631 338 A CB -0.466 18.507 19.000 -0.044 0.000 0.814 338 A HN 0.549 nan 8.150 nan 0.000 0.446 339 E N -0.369 119.770 120.200 -0.103 0.000 2.106 339 E HA -0.085 4.320 4.350 0.091 0.000 0.192 339 E C 1.610 178.276 176.600 0.110 0.000 0.984 339 E CA 1.224 57.598 56.400 -0.042 0.000 0.806 339 E CB -0.477 29.156 29.700 -0.111 0.000 0.750 339 E HN 0.712 nan 8.360 nan 0.000 0.458 340 F N 0.552 120.473 119.950 -0.049 0.000 2.146 340 F HA -0.148 4.439 4.527 0.100 0.000 0.298 340 F C 1.890 177.664 175.800 -0.043 0.000 1.096 340 F CA 0.508 58.405 58.000 -0.172 0.000 1.275 340 F CB -0.047 38.668 39.000 -0.475 0.000 1.008 340 F HN 0.050 nan 8.300 nan 0.000 0.480 341 D N 0.129 120.710 120.400 0.302 0.000 2.178 341 D HA -0.160 4.534 4.640 0.091 0.000 0.201 341 D C 2.093 178.496 176.300 0.171 0.000 0.980 341 D CA 0.865 55.037 54.000 0.286 0.000 0.842 341 D CB -0.453 40.481 40.800 0.223 0.000 0.948 341 D HN 0.238 nan 8.370 nan 0.000 0.472 342 R N 0.312 120.886 120.500 0.123 0.000 2.057 342 R HA -0.012 4.383 4.340 0.091 0.000 0.229 342 R C 2.541 178.891 176.300 0.083 0.000 1.136 342 R CA 0.580 56.730 56.100 0.084 0.000 0.952 342 R CB -0.340 29.995 30.300 0.057 0.000 0.848 342 R HN 0.119 nan 8.270 nan 0.000 0.430 343 L N 0.514 121.792 121.223 0.091 0.000 2.046 343 L HA -0.197 4.197 4.340 0.091 0.000 0.208 343 L C 2.407 179.314 176.870 0.061 0.000 1.077 343 L CA 0.831 55.711 54.840 0.067 0.000 0.747 343 L CB -0.304 41.796 42.059 0.069 0.000 0.896 343 L HN 0.247 nan 8.230 nan 0.000 0.432 344 I N -0.270 120.351 120.570 0.085 0.000 2.530 344 I HA -0.281 3.944 4.170 0.091 0.000 0.257 344 I C 2.142 178.319 176.117 0.101 0.000 1.179 344 I CA 1.595 62.958 61.300 0.105 0.000 1.440 344 I CB -0.226 37.896 38.000 0.203 0.000 1.087 344 I HN 0.131 nan 8.210 nan 0.000 0.440 345 K N -0.093 120.362 120.400 0.091 0.000 2.367 345 K HA 0.211 4.586 4.320 0.091 0.000 0.194 345 K C 0.095 176.728 176.600 0.056 0.000 1.027 345 K CA 0.137 56.468 56.287 0.074 0.000 1.075 345 K CB 0.589 33.132 32.500 0.071 0.000 0.845 345 K HN 0.175 nan 8.250 nan 0.000 0.529 346 I N 2.248 122.848 120.570 0.049 0.000 2.256 346 I HA 0.161 4.386 4.170 0.091 0.000 0.294 346 I C -0.757 175.381 176.117 0.036 0.000 1.127 346 I CA -0.175 61.146 61.300 0.035 0.000 1.247 346 I CB -0.784 37.231 38.000 0.025 0.000 1.460 346 I HN 0.065 nan 8.210 nan 0.000 0.511 347 N N 3.717 122.441 118.700 0.041 0.000 3.343 347 N HA 0.129 4.924 4.740 0.091 0.000 0.225 347 N C 0.175 175.717 175.510 0.054 0.000 1.096 347 N CA -0.219 52.861 53.050 0.051 0.000 1.040 347 N CB 1.261 39.785 38.487 0.061 0.000 1.611 347 N HN 0.203 nan 8.380 nan 0.000 0.689 348 D N 1.730 122.165 120.400 0.058 0.000 2.178 348 D HA -0.011 4.684 4.640 0.091 0.000 0.201 348 D C 1.683 178.020 176.300 0.062 0.000 0.980 348 D CA 1.555 55.590 54.000 0.058 0.000 0.842 348 D CB -0.104 40.735 40.800 0.065 0.000 0.948 348 D HN 0.709 nan 8.370 nan 0.000 0.472 349 G N -0.811 108.032 108.800 0.073 0.000 2.882 349 G HA2 0.338 4.353 3.960 0.091 0.000 0.206 349 G HA3 0.338 4.353 3.960 0.091 0.000 0.206 349 G C 0.702 175.635 174.900 0.054 0.000 1.155 349 G CA 0.506 45.644 45.100 0.064 0.000 0.800 349 G HN 0.553 nan 8.290 nan 0.000 0.524 350 G N -1.600 107.232 108.800 0.053 0.000 2.650 350 G HA2 0.426 4.441 3.960 0.091 0.000 0.686 350 G HA3 0.426 4.441 3.960 0.091 0.000 0.686 350 G C 0.026 174.960 174.900 0.058 0.000 1.205 350 G CA -0.453 44.676 45.100 0.050 0.000 0.781 350 G HN 1.284 nan 8.290 nan 0.000 0.648 351 A N 0.592 123.447 122.820 0.058 0.000 2.531 351 A HA 0.569 4.944 4.320 0.091 0.000 0.236 351 A C 0.858 178.491 177.584 0.081 0.000 1.062 351 A CA 0.724 52.804 52.037 0.071 0.000 0.760 351 A CB 0.215 19.257 19.000 0.071 0.000 0.995 351 A HN 1.480 nan 8.150 nan 0.000 0.501 352 L N 1.234 122.516 121.223 0.098 0.000 2.642 352 L HA 0.602 4.996 4.340 0.091 0.000 0.229 352 L C 1.071 178.031 176.870 0.150 0.000 1.179 352 L CA 0.702 55.614 54.840 0.119 0.000 0.834 352 L CB 0.994 43.123 42.059 0.117 0.000 1.515 352 L HN 0.935 nan 8.230 nan 0.000 0.512 353 S N -1.382 114.433 115.700 0.192 0.000 2.618 353 S HA 0.801 5.326 4.470 0.091 0.000 0.277 353 S C -1.307 173.488 174.600 0.326 0.000 1.138 353 S CA -0.688 57.644 58.200 0.220 0.000 0.844 353 S CB 1.833 65.115 63.200 0.137 0.000 1.127 353 S HN 0.564 nan 8.310 nan 0.000 0.474 354 Y N -0.934 119.445 120.300 0.132 0.000 2.544 354 Y HA 0.798 5.402 4.550 0.091 0.000 0.342 354 Y C -1.195 174.769 175.900 0.106 0.000 1.062 354 Y CA -0.983 57.178 58.100 0.102 0.000 1.023 354 Y CB 1.069 39.548 38.460 0.031 0.000 1.308 354 Y HN 0.925 nan 8.280 nan 0.000 0.457 355 E N 1.564 121.788 120.200 0.041 0.000 2.299 355 E HA 0.695 5.099 4.350 0.091 0.000 0.265 355 E C -1.416 175.214 176.600 0.050 0.000 0.911 355 E CA -1.401 54.967 56.400 -0.053 0.000 0.789 355 E CB 2.378 32.103 29.700 0.042 0.000 1.246 355 E HN 0.547 nan 8.360 nan 0.000 0.427 356 S N 0.506 116.224 115.700 0.030 0.000 2.557 356 S HA 0.248 4.773 4.470 0.091 0.000 0.291 356 S C -1.376 173.262 174.600 0.064 0.000 1.116 356 S CA -0.697 57.559 58.200 0.094 0.000 0.992 356 S CB 1.255 64.564 63.200 0.180 0.000 1.028 356 S HN 0.572 nan 8.310 nan 0.000 0.484 357 E N 2.896 123.135 120.200 0.066 0.000 2.199 357 E HA 0.374 4.778 4.350 0.091 0.000 0.265 357 E C -1.055 175.601 176.600 0.093 0.000 0.882 357 E CA -0.538 55.903 56.400 0.067 0.000 0.759 357 E CB 1.408 31.143 29.700 0.059 0.000 1.148 357 E HN 0.539 nan 8.360 nan 0.000 0.412 358 T N 5.353 119.963 114.554 0.093 0.000 2.779 358 T HA 0.159 4.563 4.350 0.091 0.000 0.296 358 T C 1.262 176.038 174.700 0.126 0.000 0.938 358 T CA -0.007 62.162 62.100 0.114 0.000 1.119 358 T CB 0.436 69.352 68.868 0.080 0.000 0.891 358 T HN 0.487 nan 8.240 nan 0.000 0.526 359 L N 2.301 123.638 121.223 0.189 0.000 2.202 359 L HA 0.275 4.669 4.340 0.091 0.000 0.205 359 L C 1.114 178.082 176.870 0.163 0.000 1.083 359 L CA 0.593 55.565 54.840 0.220 0.000 0.790 359 L CB 0.159 42.426 42.059 0.346 0.000 0.942 359 L HN 0.567 nan 8.230 nan 0.000 0.452 360 Q N -0.110 119.762 119.800 0.119 0.000 2.403 360 Q HA 0.398 4.793 4.340 0.091 0.000 0.267 360 Q C -1.920 173.997 176.000 -0.139 0.000 0.991 360 Q CA -0.316 55.435 55.803 -0.087 0.000 0.906 360 Q CB 2.761 31.295 28.738 -0.340 0.000 1.422 360 Q HN -0.153 nan 8.270 nan 0.000 0.400 361 V N 2.264 122.064 119.914 -0.190 0.000 2.409 361 V HA 0.614 4.788 4.120 0.091 0.000 0.291 361 V C -0.615 175.264 176.094 -0.358 0.000 1.020 361 V CA -0.530 61.637 62.300 -0.222 0.000 0.848 361 V CB 1.639 33.385 31.823 -0.128 0.000 0.990 361 V HN 0.671 nan 8.190 nan 0.000 0.430 362 S N 6.797 122.180 115.700 -0.528 0.000 2.664 362 S HA 0.588 5.112 4.470 0.091 0.000 0.262 362 S C -2.625 171.725 174.600 -0.417 0.000 1.229 362 S CA -1.216 56.612 58.200 -0.620 0.000 1.151 362 S CB 1.265 63.685 63.200 -1.301 0.000 1.054 362 S HN 0.548 nan 8.310 nan 0.000 0.483 363 P HA 0.326 nan 4.420 nan 0.000 0.274 363 P C -0.637 176.565 177.300 -0.164 0.000 1.256 363 P CA -0.443 62.549 63.100 -0.180 0.000 0.795 363 P CB 0.416 32.025 31.700 -0.152 0.000 1.038 364 A N 0.976 123.713 122.820 -0.139 0.000 2.498 364 A HA 0.343 4.718 4.320 0.091 0.000 0.239 364 A C -0.214 177.258 177.584 -0.186 0.000 1.068 364 A CA 0.144 52.089 52.037 -0.152 0.000 0.766 364 A CB -0.362 18.540 19.000 -0.162 0.000 1.003 364 A HN 0.354 nan 8.150 nan 0.000 0.497 365 V N 3.177 122.947 119.914 -0.240 0.000 2.540 365 V HA 0.251 4.426 4.120 0.091 0.000 0.302 365 V C -0.154 175.687 176.094 -0.420 0.000 1.035 365 V CA -0.714 61.396 62.300 -0.316 0.000 0.873 365 V CB 1.787 33.390 31.823 -0.367 0.000 0.992 365 V HN 0.992 nan 8.190 nan 0.000 0.428 366 N N 3.646 122.153 118.700 -0.322 0.000 2.438 366 N HA 0.580 5.375 4.740 0.091 0.000 0.282 366 N C -0.946 174.427 175.510 -0.228 0.000 1.037 366 N CA -0.540 52.343 53.050 -0.280 0.000 0.942 366 N CB 1.175 39.565 38.487 -0.161 0.000 1.136 366 N HN 0.420 nan 8.380 nan 0.000 0.481 367 F N 0.798 120.726 119.950 -0.038 0.000 2.375 367 F HA 0.144 4.726 4.527 0.091 0.000 0.313 367 F C 1.302 177.090 175.800 -0.019 0.000 1.176 367 F CA -0.326 57.659 58.000 -0.025 0.000 1.142 367 F CB 0.346 39.327 39.000 -0.032 0.000 1.275 367 F HN 0.384 nan 8.300 nan 0.000 0.544 368 H N 2.211 121.387 119.070 0.177 0.000 2.646 368 H HA 0.081 4.692 4.556 0.091 0.000 0.325 368 H C 0.879 176.234 175.328 0.045 0.000 1.075 368 H CA -0.003 56.084 56.048 0.064 0.000 1.421 368 H CB 1.082 30.854 29.762 0.017 0.000 1.461 368 H HN 0.601 nan 8.280 nan 0.000 0.525 369 E N 3.673 123.920 120.200 0.078 0.000 2.209 369 E HA -0.129 4.276 4.350 0.091 0.000 0.196 369 E C 2.157 178.875 176.600 0.196 0.000 0.993 369 E CA 0.662 57.133 56.400 0.117 0.000 0.819 369 E CB 0.152 29.871 29.700 0.031 0.000 0.745 369 E HN 0.450 nan 8.360 nan 0.000 0.477 370 V N 0.832 120.967 119.914 0.368 0.000 2.287 370 V HA -0.299 3.876 4.120 0.091 0.000 0.248 370 V C 2.535 178.705 176.094 0.128 0.000 1.053 370 V CA 1.778 64.175 62.300 0.162 0.000 1.027 370 V CB -0.540 31.318 31.823 0.058 0.000 0.646 370 V HN 0.348 nan 8.190 nan 0.000 0.447 371 C N -0.560 118.790 119.300 0.084 0.000 2.450 371 C HA 0.026 4.541 4.460 0.091 0.000 0.279 371 C C 2.547 177.634 174.990 0.162 0.000 1.335 371 C CA 0.381 59.438 59.018 0.066 0.000 1.749 371 C CB -0.871 26.675 27.740 -0.323 0.000 1.963 371 C HN 0.524 nan 8.230 nan 0.000 0.501 372 I N 0.514 121.148 120.570 0.107 0.000 2.315 372 I HA -0.147 4.077 4.170 0.091 0.000 0.248 372 I C 2.702 178.874 176.117 0.091 0.000 1.117 372 I CA 1.196 62.549 61.300 0.088 0.000 1.404 372 I CB -0.517 37.536 38.000 0.089 0.000 1.071 372 I HN 0.298 nan 8.210 nan 0.000 0.419 373 E N 0.557 120.818 120.200 0.101 0.000 2.058 373 E HA -0.223 4.182 4.350 0.091 0.000 0.194 373 E C 2.403 179.058 176.600 0.092 0.000 0.997 373 E CA 1.470 57.926 56.400 0.093 0.000 0.801 373 E CB -0.360 29.381 29.700 0.068 0.000 0.746 373 E HN 0.502 nan 8.360 nan 0.000 0.450 374 C N 0.067 119.441 119.300 0.123 0.000 2.413 374 C HA -0.101 4.413 4.460 0.091 0.000 0.276 374 C C 2.869 177.875 174.990 0.026 0.000 1.236 374 C CA 0.578 59.660 59.018 0.107 0.000 1.735 374 C CB -0.968 26.895 27.740 0.206 0.000 2.031 374 C HN 0.212 nan 8.230 nan 0.000 0.474 375 V N 0.592 120.535 119.914 0.049 0.000 2.343 375 V HA -0.206 3.969 4.120 0.091 0.000 0.247 375 V C 2.509 178.550 176.094 -0.087 0.000 1.051 375 V CA 2.375 64.655 62.300 -0.033 0.000 1.036 375 V CB -0.841 30.983 31.823 0.001 0.000 0.654 375 V HN 0.554 nan 8.190 nan 0.000 0.451 376 S N -0.482 115.185 115.700 -0.055 0.000 2.359 376 S HA -0.218 4.306 4.470 0.091 0.000 0.224 376 S C 2.109 176.687 174.600 -0.037 0.000 1.035 376 S CA 1.657 59.788 58.200 -0.115 0.000 1.018 376 S CB -0.320 62.937 63.200 0.095 0.000 0.876 376 S HN 0.527 nan 8.310 nan 0.000 0.448 377 R N 0.637 121.182 120.500 0.074 0.000 2.096 377 R HA -0.033 4.362 4.340 0.091 0.000 0.235 377 R C 2.722 179.054 176.300 0.053 0.000 1.127 377 R CA 1.356 57.524 56.100 0.113 0.000 0.968 377 R CB -0.509 29.846 30.300 0.092 0.000 0.861 377 R HN 0.331 nan 8.270 nan 0.000 0.440 378 S N 0.414 116.105 115.700 -0.015 0.000 2.356 378 S HA -0.132 4.393 4.470 0.091 0.000 0.223 378 S C 2.049 176.635 174.600 -0.024 0.000 1.032 378 S CA 1.256 59.431 58.200 -0.041 0.000 1.005 378 S CB -0.103 63.041 63.200 -0.094 0.000 0.867 378 S HN 0.435 nan 8.310 nan 0.000 0.449 379 A N 0.322 123.083 122.820 -0.098 0.000 1.873 379 A HA 0.104 4.478 4.320 0.091 0.000 0.215 379 A C 1.928 179.509 177.584 -0.005 0.000 1.186 379 A CA 1.321 53.299 52.037 -0.098 0.000 0.616 379 A CB -1.028 17.743 19.000 -0.381 0.000 0.823 379 A HN 0.661 nan 8.150 nan 0.000 0.442 380 F N -0.108 119.901 119.950 0.097 0.000 2.325 380 F HA 0.003 4.585 4.527 0.091 0.000 0.299 380 F C 2.663 178.494 175.800 0.052 0.000 1.090 380 F CA 0.401 58.449 58.000 0.081 0.000 1.392 380 F CB 0.007 39.038 39.000 0.052 0.000 1.053 380 F HN 0.278 nan 8.300 nan 0.000 0.521 381 A N -0.430 122.499 122.820 0.181 0.000 2.015 381 A HA -0.155 4.219 4.320 0.091 0.000 0.219 381 A C 1.954 179.543 177.584 0.008 0.000 1.163 381 A CA 1.368 53.453 52.037 0.081 0.000 0.646 381 A CB -0.319 18.706 19.000 0.041 0.000 0.806 381 A HN 0.458 nan 8.150 nan 0.000 0.448 382 Q N -2.666 117.123 119.800 -0.018 0.000 2.280 382 Q HA 0.332 4.726 4.340 0.091 0.000 0.244 382 Q C -0.952 174.741 176.000 -0.512 0.000 0.847 382 Q CA -0.074 55.578 55.803 -0.252 0.000 0.945 382 Q CB 0.842 29.399 28.738 -0.302 0.000 1.115 382 Q HN 0.589 nan 8.270 nan 0.000 0.513 383 F N 0.457 120.426 119.950 0.032 0.000 2.603 383 F HA 0.394 4.976 4.527 0.092 0.000 0.317 383 F C -0.108 175.753 175.800 0.102 0.000 1.066 383 F CA -1.208 56.819 58.000 0.045 0.000 0.941 383 F CB 1.360 40.369 39.000 0.015 0.000 1.291 383 F HN -0.391 nan 8.300 nan 0.000 0.472 384 K N 1.234 121.805 120.400 0.284 0.000 2.355 384 K HA 0.050 4.425 4.320 0.091 0.000 0.270 384 K C 1.156 177.906 176.600 0.250 0.000 1.003 384 K CA -0.250 56.160 56.287 0.204 0.000 0.957 384 K CB 0.698 33.282 32.500 0.140 0.000 0.939 384 K HN 0.573 nan 8.250 nan 0.000 0.482 385 K N 2.039 122.562 120.400 0.204 0.000 2.074 385 K HA -0.230 4.144 4.320 0.091 0.000 0.209 385 K C 0.805 177.520 176.600 0.191 0.000 1.048 385 K CA 2.364 58.782 56.287 0.218 0.000 0.926 385 K CB -0.064 32.456 32.500 0.032 0.000 0.713 385 K HN 0.722 nan 8.250 nan 0.000 0.444 386 D N -0.264 120.208 120.400 0.120 0.000 2.378 386 D HA -0.117 4.578 4.640 0.091 0.000 0.227 386 D C 1.155 177.498 176.300 0.072 0.000 1.012 386 D CA 0.622 54.672 54.000 0.084 0.000 0.905 386 D CB 0.082 40.916 40.800 0.057 0.000 0.895 386 D HN 0.216 nan 8.370 nan 0.000 0.532 387 Q N -0.078 119.777 119.800 0.092 0.000 2.282 387 Q HA 0.208 4.602 4.340 0.091 0.000 0.206 387 Q C -0.187 175.782 176.000 -0.053 0.000 0.878 387 Q CA 0.087 55.906 55.803 0.027 0.000 0.944 387 Q CB 1.895 30.681 28.738 0.080 0.000 1.100 387 Q HN 0.211 nan 8.270 nan 0.000 0.509 388 V N 0.921 120.847 119.914 0.020 0.000 2.680 388 V HA 0.523 4.698 4.120 0.091 0.000 0.309 388 V C -0.243 175.865 176.094 0.022 0.000 1.052 388 V CA -0.766 61.510 62.300 -0.040 0.000 0.908 388 V CB 2.631 34.425 31.823 -0.049 0.000 1.001 388 V HN 0.020 nan 8.190 nan 0.000 0.431 389 R N 2.240 122.721 120.500 -0.031 0.000 2.584 389 R HA 0.394 4.788 4.340 0.091 0.000 0.276 389 R C -1.074 175.219 176.300 -0.013 0.000 1.046 389 R CA -0.670 55.432 56.100 0.004 0.000 0.906 389 R CB 2.246 32.538 30.300 -0.012 0.000 1.215 389 R HN 0.799 nan 8.270 nan 0.000 0.449 390 Q N 3.012 122.826 119.800 0.024 0.000 2.332 390 Q HA 0.335 4.730 4.340 0.091 0.000 0.263 390 Q C -0.394 175.607 176.000 0.002 0.000 0.979 390 Q CA 0.275 56.091 55.803 0.021 0.000 0.885 390 Q CB 1.488 30.264 28.738 0.063 0.000 1.218 390 Q HN 0.481 nan 8.270 nan 0.000 0.405 391 I N 1.850 122.411 120.570 -0.014 0.000 2.918 391 I HA 0.432 4.657 4.170 0.091 0.000 0.301 391 I C -1.659 174.460 176.117 0.004 0.000 1.312 391 I CA -0.794 60.465 61.300 -0.068 0.000 1.007 391 I CB 1.635 39.593 38.000 -0.070 0.000 1.281 391 I HN 0.720 nan 8.210 nan 0.000 0.440 392 W N 4.353 125.661 121.300 0.014 0.000 2.627 392 W HA 0.627 5.340 4.660 0.089 0.000 0.339 392 W C -0.852 175.723 176.519 0.093 0.000 1.058 392 W CA -1.091 56.257 57.345 0.006 0.000 1.223 392 W CB 1.018 30.469 29.460 -0.015 0.000 1.389 392 W HN 0.523 nan 8.180 nan 0.000 0.541 393 S N 0.901 116.876 115.700 0.457 0.000 2.523 393 S HA 0.348 4.873 4.470 0.091 0.000 0.275 393 S C 1.114 176.043 174.600 0.548 0.000 1.281 393 S CA 0.365 58.880 58.200 0.525 0.000 1.050 393 S CB 0.866 64.415 63.200 0.583 0.000 0.937 393 S HN 0.685 nan 8.310 nan 0.000 0.492 394 G N 3.304 112.321 108.800 0.363 0.000 2.551 394 G HA2 0.365 4.379 3.960 0.091 0.000 0.216 394 G HA3 0.365 4.379 3.960 0.091 0.000 0.216 394 G C 0.434 175.413 174.900 0.131 0.000 1.137 394 G CA 0.437 45.714 45.100 0.296 0.000 0.798 394 G HN 0.971 nan 8.290 nan 0.000 0.536 395 A N -0.124 122.741 122.820 0.075 0.000 2.295 395 A HA 0.725 5.100 4.320 0.091 0.000 0.318 395 A C 0.642 178.034 177.584 -0.320 0.000 1.134 395 A CA 0.087 52.012 52.037 -0.187 0.000 0.827 395 A CB 0.875 19.715 19.000 -0.267 0.000 1.136 395 A HN 0.490 nan 8.150 nan 0.000 0.493 396 G N 0.602 109.147 108.800 -0.425 0.000 2.432 396 G HA2 0.534 4.549 3.960 0.091 0.000 0.257 396 G HA3 0.534 4.549 3.960 0.091 0.000 0.257 396 G C -0.308 174.291 174.900 -0.502 0.000 1.238 396 G CA -0.164 44.807 45.100 -0.216 0.000 0.838 396 G HN 0.762 nan 8.290 nan 0.000 0.547 397 H N 0.304 119.432 119.070 0.097 0.000 2.949 397 H HA 0.226 4.838 4.556 0.093 0.000 0.356 397 H C 0.082 175.429 175.328 0.032 0.000 1.212 397 H CA -0.713 55.377 56.048 0.070 0.000 1.136 397 H CB 2.144 31.956 29.762 0.083 0.000 1.869 397 H HN 0.467 nan 8.280 nan 0.000 0.556 398 D N 0.278 120.750 120.400 0.120 0.000 2.218 398 D HA -0.092 4.603 4.640 0.091 0.000 0.204 398 D C 1.415 177.614 176.300 -0.168 0.000 0.976 398 D CA 0.988 54.865 54.000 -0.204 0.000 0.853 398 D CB 0.153 40.654 40.800 -0.498 0.000 0.939 398 D HN 0.290 nan 8.370 nan 0.000 0.481 399 S N 0.305 116.084 115.700 0.131 0.000 2.419 399 S HA -0.143 4.381 4.470 0.091 0.000 0.235 399 S C 2.222 176.990 174.600 0.280 0.000 1.019 399 S CA 0.424 58.753 58.200 0.215 0.000 0.982 399 S CB -0.228 63.060 63.200 0.147 0.000 0.789 399 S HN 0.410 nan 8.310 nan 0.000 0.490 400 C N 1.440 120.876 119.300 0.226 0.000 2.413 400 C HA -0.053 4.462 4.460 0.091 0.000 0.277 400 C C 2.718 177.716 174.990 0.013 0.000 1.265 400 C CA 0.452 59.540 59.018 0.117 0.000 1.752 400 C CB -1.022 26.749 27.740 0.053 0.000 1.998 400 C HN 0.558 nan 8.230 nan 0.000 0.489 401 Q N 0.204 119.976 119.800 -0.047 0.000 2.302 401 Q HA -0.045 4.350 4.340 0.091 0.000 0.202 401 Q C 2.315 178.327 176.000 0.020 0.000 0.936 401 Q CA 1.838 57.603 55.803 -0.063 0.000 0.886 401 Q CB -0.825 27.831 28.738 -0.136 0.000 0.986 401 Q HN 0.869 nan 8.270 nan 0.000 0.487 402 T N -1.768 112.774 114.554 -0.020 0.000 3.014 402 T HA 0.166 4.570 4.350 0.091 0.000 0.263 402 T C 1.976 176.753 174.700 0.129 0.000 1.078 402 T CA 0.796 62.970 62.100 0.123 0.000 1.135 402 T CB -0.071 68.729 68.868 -0.113 0.000 0.895 402 T HN 0.157 nan 8.240 nan 0.000 0.480 403 A N 3.053 125.930 122.820 0.096 0.000 1.940 403 A HA 0.061 4.435 4.320 0.091 0.000 0.219 403 A C 0.408 177.978 177.584 -0.023 0.000 1.176 403 A CA 1.194 53.296 52.037 0.108 0.000 0.631 403 A CB -1.667 17.461 19.000 0.213 0.000 0.814 403 A HN 0.504 nan 8.150 nan 0.000 0.446 404 P HA -0.103 nan 4.420 nan 0.000 0.222 404 P C 0.817 177.831 177.300 -0.477 0.000 1.147 404 P CA 1.253 64.111 63.100 -0.404 0.000 0.790 404 P CB -0.055 31.245 31.700 -0.667 0.000 0.780 405 H N -2.023 116.990 119.070 -0.095 0.000 2.594 405 H HA 0.236 4.846 4.556 0.091 0.000 0.274 405 H C 0.863 176.204 175.328 0.021 0.000 0.982 405 H CA 0.525 56.488 56.048 -0.142 0.000 1.228 405 H CB 0.362 29.872 29.762 -0.420 0.000 1.447 405 H HN -0.016 nan 8.280 nan 0.000 0.485 406 V N -0.631 119.394 119.914 0.186 0.000 2.876 406 V HA 0.491 4.666 4.120 0.091 0.000 0.312 406 V C -2.812 173.305 176.094 0.039 0.000 1.085 406 V CA -2.764 59.618 62.300 0.137 0.000 0.945 406 V CB 2.835 34.786 31.823 0.213 0.000 1.017 406 V HN -0.160 nan 8.190 nan 0.000 0.428 407 P HA 0.171 nan 4.420 nan 0.000 0.258 407 P C -0.096 177.048 177.300 -0.259 0.000 1.172 407 P CA 0.944 63.883 63.100 -0.269 0.000 0.762 407 P CB 0.146 31.550 31.700 -0.494 0.000 0.764 408 T N 0.264 114.718 114.554 -0.167 0.000 2.916 408 T HA 0.694 5.099 4.350 0.091 0.000 0.305 408 T C -0.737 173.676 174.700 -0.478 0.000 1.119 408 T CA -0.496 61.397 62.100 -0.346 0.000 1.008 408 T CB 1.669 70.465 68.868 -0.120 0.000 1.129 408 T HN 0.451 nan 8.240 nan 0.000 0.480 409 S N 2.365 117.608 115.700 -0.761 0.000 2.643 409 S HA 0.799 5.323 4.470 0.091 0.000 0.270 409 S C -1.341 172.834 174.600 -0.708 0.000 1.166 409 S CA -1.095 56.560 58.200 -0.909 0.000 0.815 409 S CB 1.326 64.311 63.200 -0.358 0.000 1.139 409 S HN 0.933 nan 8.310 nan 0.000 0.472 410 M N 0.855 120.092 119.600 -0.604 0.000 2.619 410 M HA 0.589 5.124 4.480 0.091 0.000 0.297 410 M C -1.479 174.667 176.300 -0.257 0.000 1.229 410 M CA -0.613 54.454 55.300 -0.387 0.000 0.860 410 M CB 2.134 34.459 32.600 -0.458 0.000 1.741 410 M HN 0.642 nan 8.290 nan 0.000 0.462 411 I N 1.096 121.586 120.570 -0.134 0.000 2.433 411 I HA 0.469 4.693 4.170 0.091 0.000 0.292 411 I C -1.175 175.022 176.117 0.133 0.000 1.001 411 I CA -0.239 61.021 61.300 -0.067 0.000 1.119 411 I CB 1.420 39.397 38.000 -0.037 0.000 1.289 411 I HN 0.517 nan 8.210 nan 0.000 0.438 412 F N 5.965 125.871 119.950 -0.073 0.000 2.425 412 F HA 0.636 5.218 4.527 0.092 0.000 0.331 412 F C 0.296 176.037 175.800 -0.097 0.000 1.085 412 F CA -1.117 56.846 58.000 -0.062 0.000 1.028 412 F CB 1.910 40.877 39.000 -0.055 0.000 1.177 412 F HN 0.331 nan 8.300 nan 0.000 0.487 413 I N 0.512 121.119 120.570 0.062 0.000 2.797 413 I HA 0.611 4.835 4.170 0.091 0.000 0.307 413 I C -2.944 173.102 176.117 -0.119 0.000 1.033 413 I CA -3.038 58.225 61.300 -0.063 0.000 1.071 413 I CB 1.782 39.723 38.000 -0.098 0.000 1.255 413 I HN 0.191 nan 8.210 nan 0.000 0.445 414 P HA 0.155 nan 4.420 nan 0.000 0.269 414 P C -0.980 176.215 177.300 -0.175 0.000 1.215 414 P CA -0.070 62.948 63.100 -0.137 0.000 0.780 414 P CB 0.721 32.352 31.700 -0.116 0.000 0.898 415 S N 1.779 117.388 115.700 -0.152 0.000 2.454 415 S HA 0.242 4.767 4.470 0.091 0.000 0.306 415 S C -0.241 174.314 174.600 -0.074 0.000 1.100 415 S CA -0.827 57.290 58.200 -0.139 0.000 1.087 415 S CB 0.740 63.863 63.200 -0.129 0.000 1.019 415 S HN 0.283 nan 8.310 nan 0.000 0.480 416 K N 2.354 122.740 120.400 -0.024 0.000 2.453 416 K HA -0.038 4.337 4.320 0.091 0.000 0.280 416 K C -0.396 176.218 176.600 0.023 0.000 1.045 416 K CA 0.626 56.943 56.287 0.049 0.000 1.059 416 K CB 0.012 32.632 32.500 0.201 0.000 0.901 416 K HN 0.649 nan 8.250 nan 0.000 0.475 417 D N 2.786 123.185 120.400 -0.001 0.000 3.079 417 D HA -0.188 4.507 4.640 0.091 0.000 0.214 417 D C 0.603 176.885 176.300 -0.030 0.000 1.145 417 D CA 1.504 55.493 54.000 -0.018 0.000 0.958 417 D CB -1.385 39.403 40.800 -0.019 0.000 1.117 417 D HN 0.985 nan 8.370 nan 0.000 0.416 418 G N -0.460 108.316 108.800 -0.040 0.000 2.203 418 G HA2 -0.291 3.724 3.960 0.091 0.000 0.263 418 G HA3 -0.291 3.724 3.960 0.091 0.000 0.263 418 G C 0.054 174.923 174.900 -0.052 0.000 1.012 418 G CA 0.524 45.588 45.100 -0.059 0.000 0.749 418 G HN 0.504 nan 8.290 nan 0.000 0.512 419 L N 1.019 122.227 121.223 -0.025 0.000 2.276 419 L HA 0.810 5.204 4.340 0.091 0.000 0.286 419 L C 0.291 177.167 176.870 0.010 0.000 1.061 419 L CA 0.289 55.128 54.840 -0.002 0.000 0.807 419 L CB 1.671 43.750 42.059 0.032 0.000 1.177 419 L HN 0.238 nan 8.230 nan 0.000 0.429 420 S N 2.768 118.465 115.700 -0.005 0.000 2.651 420 S HA 0.480 5.005 4.470 0.091 0.000 0.279 420 S C -0.653 173.991 174.600 0.074 0.000 1.148 420 S CA -0.473 57.736 58.200 0.016 0.000 0.837 420 S CB 0.585 63.736 63.200 -0.081 0.000 1.138 420 S HN 0.828 nan 8.310 nan 0.000 0.478 421 H N 0.469 119.554 119.070 0.026 0.000 2.756 421 H HA -0.138 4.473 4.556 0.091 0.000 0.315 421 H C -0.346 174.948 175.328 -0.056 0.000 1.210 421 H CA 0.836 56.878 56.048 -0.009 0.000 1.150 421 H CB -1.080 28.666 29.762 -0.027 0.000 1.463 421 H HN 0.444 nan 8.280 nan 0.000 0.427 422 N N -0.618 118.125 118.700 0.071 0.000 2.636 422 N HA 0.005 4.800 4.740 0.091 0.000 0.261 422 N C 0.483 176.009 175.510 0.027 0.000 1.195 422 N CA -0.540 52.492 53.050 -0.030 0.000 0.902 422 N CB 0.943 39.451 38.487 0.036 0.000 1.627 422 N HN 0.111 nan 8.380 nan 0.000 0.491 423 Y N 0.987 121.236 120.300 -0.085 0.000 2.193 423 Y HA -0.231 4.376 4.550 0.095 0.000 0.285 423 Y C 1.040 176.816 175.900 -0.205 0.000 1.166 423 Y CA 1.306 59.291 58.100 -0.192 0.000 1.181 423 Y CB -0.004 38.198 38.460 -0.430 0.000 0.976 423 Y HN 0.573 nan 8.280 nan 0.000 0.520 424 Y N 0.417 120.745 120.300 0.047 0.000 2.529 424 Y HA -0.011 4.592 4.550 0.089 0.000 0.290 424 Y C 0.928 176.931 175.900 0.172 0.000 1.177 424 Y CA -0.200 57.881 58.100 -0.031 0.000 1.305 424 Y CB -0.327 37.997 38.460 -0.227 0.000 1.047 424 Y HN 0.050 nan 8.280 nan 0.000 0.522 425 E N 0.994 121.380 120.200 0.311 0.000 2.608 425 E HA -0.136 4.268 4.350 0.091 0.000 0.259 425 E C -1.346 175.513 176.600 0.432 0.000 0.951 425 E CA 0.379 56.960 56.400 0.300 0.000 0.945 425 E CB 0.254 30.124 29.700 0.282 0.000 0.916 425 E HN 0.310 nan 8.360 nan 0.000 0.477 426 Y N 2.241 122.565 120.300 0.040 0.000 2.442 426 Y HA 0.284 4.888 4.550 0.090 0.000 0.330 426 Y C -1.439 174.213 175.900 -0.413 0.000 1.100 426 Y CA -0.581 57.423 58.100 -0.160 0.000 1.034 426 Y CB 1.728 40.214 38.460 0.043 0.000 1.285 426 Y HN 0.388 nan 8.280 nan 0.000 0.440 427 S N 3.226 118.040 115.700 -1.476 0.000 2.521 427 S HA 0.541 5.066 4.470 0.091 0.000 0.295 427 S C -0.849 172.892 174.600 -1.431 0.000 1.098 427 S CA -0.863 56.635 58.200 -1.169 0.000 0.999 427 S CB 1.427 64.133 63.200 -0.823 0.000 1.034 427 S HN 0.761 nan 8.310 nan 0.000 0.483 428 S N 2.445 117.599 115.700 -0.910 0.000 2.593 428 S HA 0.273 4.798 4.470 0.091 0.000 0.269 428 S C -2.046 172.362 174.600 -0.320 0.000 1.334 428 S CA -0.838 57.038 58.200 -0.540 0.000 1.015 428 S CB 0.093 63.196 63.200 -0.161 0.000 0.912 428 S HN 0.355 nan 8.310 nan 0.000 0.541 429 P HA -0.148 nan 4.420 nan 0.000 0.216 429 P C 1.412 178.679 177.300 -0.054 0.000 1.153 429 P CA 1.487 64.539 63.100 -0.080 0.000 0.858 429 P CB 0.043 31.727 31.700 -0.028 0.000 0.789 430 E N -0.082 120.093 120.200 -0.042 0.000 2.051 430 E HA -0.224 4.181 4.350 0.091 0.000 0.192 430 E C 1.891 178.486 176.600 -0.009 0.000 0.991 430 E CA 1.251 57.647 56.400 -0.006 0.000 0.799 430 E CB -0.273 29.432 29.700 0.008 0.000 0.748 430 E HN 0.240 nan 8.360 nan 0.000 0.449 431 E N 0.133 120.291 120.200 -0.070 0.000 2.110 431 E HA -0.169 4.235 4.350 0.091 0.000 0.193 431 E C 2.113 178.667 176.600 -0.076 0.000 0.988 431 E CA 1.106 57.451 56.400 -0.091 0.000 0.804 431 E CB -0.041 29.559 29.700 -0.166 0.000 0.745 431 E HN 0.357 nan 8.360 nan 0.000 0.458 432 I N 0.705 121.217 120.570 -0.096 0.000 2.226 432 I HA -0.266 3.959 4.170 0.091 0.000 0.245 432 I C 2.416 178.558 176.117 0.040 0.000 1.100 432 I CA 1.196 62.466 61.300 -0.050 0.000 1.374 432 I CB -0.038 37.922 38.000 -0.067 0.000 1.057 432 I HN 0.093 nan 8.210 nan 0.000 0.413 433 E N 0.759 120.991 120.200 0.054 0.000 2.106 433 E HA -0.200 4.205 4.350 0.091 0.000 0.192 433 E C 1.932 178.645 176.600 0.188 0.000 0.984 433 E CA 0.986 57.466 56.400 0.134 0.000 0.806 433 E CB 0.114 29.872 29.700 0.096 0.000 0.750 433 E HN 0.367 nan 8.360 nan 0.000 0.458 434 N N -0.012 118.785 118.700 0.162 0.000 2.061 434 N HA -0.156 4.638 4.740 0.091 0.000 0.193 434 N C 1.811 177.423 175.510 0.170 0.000 1.030 434 N CA 1.480 54.688 53.050 0.263 0.000 0.856 434 N CB -0.847 37.772 38.487 0.220 0.000 1.023 434 N HN 0.288 nan 8.380 nan 0.000 0.424 435 G N 0.087 108.933 108.800 0.076 0.000 2.422 435 G HA2 -0.241 3.774 3.960 0.091 0.000 0.218 435 G HA3 -0.241 3.774 3.960 0.091 0.000 0.218 435 G C 1.418 176.361 174.900 0.072 0.000 1.146 435 G CA 0.374 45.499 45.100 0.042 0.000 0.769 435 G HN 0.312 nan 8.290 nan 0.000 0.547 436 F N 1.605 121.545 119.950 -0.016 0.000 2.102 436 F HA 0.030 4.611 4.527 0.091 0.000 0.298 436 F C 2.586 178.363 175.800 -0.039 0.000 1.105 436 F CA 1.748 59.726 58.000 -0.036 0.000 1.239 436 F CB -0.229 38.748 39.000 -0.038 0.000 0.991 436 F HN 0.052 nan 8.300 nan 0.000 0.474 437 K N -0.091 120.175 120.400 -0.224 0.000 2.063 437 K HA -0.134 4.241 4.320 0.091 0.000 0.208 437 K C 2.030 178.485 176.600 -0.242 0.000 1.048 437 K CA 1.636 57.743 56.287 -0.299 0.000 0.928 437 K CB -0.494 31.964 32.500 -0.070 0.000 0.713 437 K HN 0.208 nan 8.250 nan 0.000 0.442 438 V N 1.217 121.073 119.914 -0.097 0.000 2.358 438 V HA -0.220 3.954 4.120 0.091 0.000 0.246 438 V C 2.088 178.069 176.094 -0.189 0.000 1.047 438 V CA 1.432 63.680 62.300 -0.086 0.000 1.035 438 V CB -0.351 31.459 31.823 -0.021 0.000 0.658 438 V HN 0.275 nan 8.190 nan 0.000 0.452 439 L N -0.103 120.989 121.223 -0.218 0.000 2.017 439 L HA -0.141 4.254 4.340 0.091 0.000 0.208 439 L C 2.240 178.902 176.870 -0.347 0.000 1.073 439 L CA 1.995 56.684 54.840 -0.252 0.000 0.745 439 L CB -0.714 41.252 42.059 -0.154 0.000 0.894 439 L HN 0.291 nan 8.230 nan 0.000 0.432 440 L N -0.355 120.574 121.223 -0.491 0.000 1.990 440 L HA -0.269 4.126 4.340 0.091 0.000 0.213 440 L C 2.556 179.247 176.870 -0.298 0.000 1.072 440 L CA 2.315 56.861 54.840 -0.490 0.000 0.755 440 L CB -0.947 40.654 42.059 -0.763 0.000 0.889 440 L HN 0.508 nan 8.230 nan 0.000 0.432 441 Q N -0.502 119.136 119.800 -0.270 0.000 2.224 441 Q HA -0.042 4.353 4.340 0.091 0.000 0.203 441 Q C 2.074 177.972 176.000 -0.170 0.000 0.970 441 Q CA 1.679 57.377 55.803 -0.175 0.000 0.865 441 Q CB -0.386 28.266 28.738 -0.142 0.000 0.922 441 Q HN 0.638 nan 8.270 nan 0.000 0.445 442 A N -0.001 122.662 122.820 -0.261 0.000 1.898 442 A HA -0.124 4.251 4.320 0.091 0.000 0.216 442 A C 2.097 179.384 177.584 -0.494 0.000 1.181 442 A CA 1.345 53.152 52.037 -0.384 0.000 0.620 442 A CB -0.634 18.043 19.000 -0.538 0.000 0.819 442 A HN 0.445 nan 8.150 nan 0.000 0.442 443 I N -0.299 120.003 120.570 -0.446 0.000 2.179 443 I HA -0.255 3.970 4.170 0.091 0.000 0.242 443 I C 2.305 178.453 176.117 0.052 0.000 1.088 443 I CA 1.292 62.456 61.300 -0.227 0.000 1.357 443 I CB -0.254 37.697 38.000 -0.082 0.000 1.051 443 I HN 0.312 nan 8.210 nan 0.000 0.409 444 I N 0.682 121.279 120.570 0.045 0.000 2.163 444 I HA -0.343 3.882 4.170 0.091 0.000 0.243 444 I C 2.085 178.269 176.117 0.112 0.000 1.085 444 I CA 1.839 63.203 61.300 0.106 0.000 1.347 444 I CB -0.635 37.384 38.000 0.032 0.000 1.044 444 I HN 0.329 nan 8.210 nan 0.000 0.408 445 N N -0.191 118.548 118.700 0.065 0.000 2.104 445 N HA -0.269 4.525 4.740 0.091 0.000 0.190 445 N C 1.993 177.620 175.510 0.194 0.000 1.024 445 N CA 1.322 54.434 53.050 0.103 0.000 0.853 445 N CB -0.233 38.291 38.487 0.061 0.000 1.008 445 N HN 0.297 nan 8.380 nan 0.000 0.424 446 Y N 1.887 122.252 120.300 0.108 0.000 2.200 446 Y HA -0.206 4.399 4.550 0.092 0.000 0.290 446 Y C 2.134 178.198 175.900 0.273 0.000 1.137 446 Y CA 1.609 59.858 58.100 0.247 0.000 1.163 446 Y CB -0.432 38.231 38.460 0.338 0.000 0.988 446 Y HN 0.034 nan 8.280 nan 0.000 0.518 447 D N -0.405 120.140 120.400 0.242 0.000 2.123 447 D HA -0.222 4.473 4.640 0.091 0.000 0.196 447 D C 1.724 178.092 176.300 0.113 0.000 0.992 447 D CA 1.839 55.950 54.000 0.184 0.000 0.833 447 D CB -0.280 40.672 40.800 0.253 0.000 0.954 447 D HN 0.265 nan 8.370 nan 0.000 0.455 448 N N -0.896 117.880 118.700 0.126 0.000 2.166 448 N HA -0.189 4.606 4.740 0.091 0.000 0.186 448 N C 1.551 177.107 175.510 0.077 0.000 1.019 448 N CA 0.829 53.943 53.050 0.106 0.000 0.856 448 N CB -0.578 37.981 38.487 0.119 0.000 0.993 448 N HN 0.463 nan 8.380 nan 0.000 0.426 449 Y N 1.759 122.025 120.300 -0.055 0.000 2.242 449 Y HA -0.065 4.540 4.550 0.091 0.000 0.291 449 Y C 2.177 177.979 175.900 -0.163 0.000 1.137 449 Y CA 1.310 59.353 58.100 -0.095 0.000 1.181 449 Y CB 0.021 38.417 38.460 -0.106 0.000 0.989 449 Y HN -0.077 nan 8.280 nan 0.000 0.527 450 R N -0.372 119.843 120.500 -0.474 0.000 2.120 450 R HA -0.143 4.251 4.340 0.091 0.000 0.234 450 R C 2.120 178.217 176.300 -0.338 0.000 1.123 450 R CA 1.472 57.235 56.100 -0.561 0.000 0.975 450 R CB -0.545 29.430 30.300 -0.543 0.000 0.866 450 R HN 0.288 nan 8.270 nan 0.000 0.446 451 V N 1.552 121.399 119.914 -0.111 0.000 2.261 451 V HA -0.262 3.913 4.120 0.091 0.000 0.246 451 V C 2.260 178.191 176.094 -0.272 0.000 1.047 451 V CA 1.891 64.131 62.300 -0.100 0.000 1.015 451 V CB -0.403 31.412 31.823 -0.014 0.000 0.642 451 V HN 0.279 nan 8.190 nan 0.000 0.446 452 I N -0.356 120.123 120.570 -0.151 0.000 2.252 452 I HA -0.237 3.988 4.170 0.091 0.000 0.245 452 I C 2.728 178.733 176.117 -0.186 0.000 1.102 452 I CA 1.772 63.034 61.300 -0.063 0.000 1.385 452 I CB -0.617 37.371 38.000 -0.020 0.000 1.064 452 I HN 0.228 nan 8.210 nan 0.000 0.414 453 R N 1.491 121.767 120.500 -0.375 0.000 2.091 453 R HA -0.155 4.239 4.340 0.091 0.000 0.238 453 R C 2.357 178.553 176.300 -0.173 0.000 1.136 453 R CA 1.820 57.734 56.100 -0.310 0.000 0.959 453 R CB -0.526 29.455 30.300 -0.531 0.000 0.856 453 R HN 0.427 nan 8.270 nan 0.000 0.437 454 G N -0.263 108.403 108.800 -0.224 0.000 2.432 454 G HA2 -0.237 3.778 3.960 0.091 0.000 0.219 454 G HA3 -0.237 3.778 3.960 0.091 0.000 0.219 454 G C 1.052 175.882 174.900 -0.117 0.000 1.135 454 G CA 0.644 45.657 45.100 -0.146 0.000 0.767 454 G HN 0.379 nan 8.290 nan 0.000 0.550 455 H N -0.303 118.716 119.070 -0.085 0.000 2.423 455 H HA -0.019 4.592 4.556 0.091 0.000 0.297 455 H C 2.462 177.680 175.328 -0.183 0.000 1.075 455 H CA 1.545 57.532 56.048 -0.101 0.000 1.342 455 H CB -0.077 29.628 29.762 -0.095 0.000 1.395 455 H HN 0.522 nan 8.280 nan 0.000 0.530 456 Q N -0.222 119.446 119.800 -0.221 0.000 2.163 456 Q HA -0.026 4.369 4.340 0.091 0.000 0.198 456 Q C -0.377 175.189 176.000 -0.723 0.000 0.954 456 Q CA 0.706 56.154 55.803 -0.592 0.000 0.851 456 Q CB 0.403 28.571 28.738 -0.949 0.000 0.928 456 Q HN 0.154 nan 8.270 nan 0.000 0.459 457 F N 1.975 121.928 119.950 0.005 0.000 2.449 457 F HA 0.438 5.020 4.527 0.091 0.000 0.344 457 F C -2.029 173.770 175.800 -0.002 0.000 1.180 457 F CA -2.647 55.355 58.000 0.002 0.000 1.209 457 F CB 0.624 39.622 39.000 -0.004 0.000 1.440 457 F HN 0.052 nan 8.300 nan 0.000 0.526 458 P HA 0.000 nan 4.420 nan 0.000 0.216 458 P CA 0.000 63.150 63.100 0.083 0.000 0.800 458 P CB 0.000 31.737 31.700 0.062 0.000 0.726