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 3ks9_1_B DATA FIRST_RESID 35 DATA SEQUENCE QRSVARMDGD VIIGALFSVH HQPPAEKVPE RKcGEIREQY GIQRVEAMFH DATA SEQUENCE TLDKINADPV LLPNITLGSE IRDScWHSSV ALEQSIEFIR DSLXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXK PIAGVIGPGS SSVAIQVQNL LQLFDIPQIA DATA SEQUENCE YSATSIDLSD KTLYKYFLRV VPSDTLQARA MLDIVKRYNW TYVSAVHTEG DATA SEQUENCE NYGESGMDAF KELAAQEGLS IAHSDKIYSN AGEKSFDRLL RKLRERLPKA DATA SEQUENCE RVVVCFCEGM TVRGLLSAMR RLGVVGEFSL IGSDGWADRD EVIEGYEVEA DATA SEQUENCE NGGITIKLQS PEVRSFDDYF LKLRLDTNTR NPWFPEFWQH RFQcRLXXXX DATA SEQUENCE XXXPNFKRIc TGNESLEENY VQDSKMGFVI NAIYAMAHGL QNMHHALcPG DATA SEQUENCE HVGLcDAMKP IDGSKLLDFL IKSSFIGVSG EEVWFDEKGD APGRYDIMNL DATA SEQUENCE QYTEANRYDY VHVGTWHEGV LNIDD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 35 Q HA 0.000 nan 4.340 nan 0.000 0.214 35 Q C 0.000 176.025 176.000 0.041 0.000 1.003 35 Q CA 0.000 55.817 55.803 0.024 0.000 1.022 35 Q CB 0.000 28.747 28.738 0.016 0.000 1.108 36 R N 1.169 121.703 120.500 0.056 0.000 2.570 36 R HA 0.446 4.786 4.340 0.001 0.000 0.277 36 R C 0.020 176.388 176.300 0.113 0.000 1.039 36 R CA 0.538 56.703 56.100 0.109 0.000 1.065 36 R CB 0.454 30.827 30.300 0.121 0.000 0.964 36 R HN 0.816 nan 8.270 nan 0.000 0.428 37 S N 1.483 117.270 115.700 0.146 0.000 2.576 37 S HA 0.149 4.620 4.470 0.001 0.000 0.272 37 S C -0.478 174.136 174.600 0.024 0.000 1.352 37 S CA -0.525 57.661 58.200 -0.023 0.000 1.021 37 S CB 1.124 64.132 63.200 -0.320 0.000 0.887 37 S HN 0.364 nan 8.310 nan 0.000 0.542 38 V N 1.169 121.011 119.914 -0.120 0.000 2.686 38 V HA 0.622 4.742 4.120 0.001 0.000 0.306 38 V C -0.128 175.915 176.094 -0.085 0.000 1.065 38 V CA -1.013 61.291 62.300 0.006 0.000 0.894 38 V CB 1.638 33.500 31.823 0.064 0.000 1.004 38 V HN 0.989 nan 8.190 nan 0.000 0.424 39 A N 5.557 128.403 122.820 0.043 0.000 2.309 39 A HA 0.777 5.098 4.320 0.001 0.000 0.290 39 A C 0.110 177.868 177.584 0.289 0.000 1.206 39 A CA -0.311 51.850 52.037 0.207 0.000 0.850 39 A CB 0.255 19.498 19.000 0.406 0.000 1.118 39 A HN 0.843 nan 8.150 nan 0.000 0.523 40 R N 1.510 122.191 120.500 0.303 0.000 2.854 40 R HA 0.772 5.112 4.340 0.001 0.000 0.271 40 R C -0.870 175.617 176.300 0.312 0.000 0.996 40 R CA -0.632 55.619 56.100 0.251 0.000 0.961 40 R CB 2.191 32.573 30.300 0.136 0.000 1.182 40 R HN 0.807 nan 8.270 nan 0.000 0.479 41 M N 1.699 121.444 119.600 0.242 0.000 2.284 41 M HA 0.226 4.706 4.480 0.001 0.000 0.281 41 M C -1.759 174.602 176.300 0.102 0.000 1.083 41 M CA -0.724 54.687 55.300 0.185 0.000 0.965 41 M CB 2.194 34.965 32.600 0.285 0.000 1.717 41 M HN 0.491 nan 8.290 nan 0.000 0.479 42 D N 2.051 122.487 120.400 0.060 0.000 2.357 42 D HA 0.764 5.404 4.640 0.001 0.000 0.242 42 D C -0.100 176.213 176.300 0.022 0.000 1.153 42 D CA 0.928 54.949 54.000 0.035 0.000 0.918 42 D CB 1.507 42.319 40.800 0.020 0.000 1.181 42 D HN 0.849 nan 8.370 nan 0.000 0.435 43 G N 0.962 109.766 108.800 0.008 0.000 2.495 43 G HA2 0.095 4.056 3.960 0.001 0.000 0.294 43 G HA3 0.095 4.056 3.960 0.001 0.000 0.294 43 G C 0.019 174.910 174.900 -0.015 0.000 1.397 43 G CA -0.451 44.645 45.100 -0.008 0.000 0.790 43 G HN 0.363 nan 8.290 nan 0.000 0.486 44 D N -1.208 119.175 120.400 -0.028 0.000 2.149 44 D HA 0.015 4.655 4.640 0.001 0.000 0.201 44 D C 0.859 177.139 176.300 -0.032 0.000 0.972 44 D CA 1.406 55.388 54.000 -0.030 0.000 0.835 44 D CB 0.550 41.325 40.800 -0.041 0.000 0.966 44 D HN 0.113 nan 8.370 nan 0.000 0.476 45 V N 2.392 122.281 119.914 -0.042 0.000 2.531 45 V HA 0.232 4.352 4.120 0.001 0.000 0.301 45 V C -0.216 175.851 176.094 -0.046 0.000 1.034 45 V CA -0.776 61.497 62.300 -0.046 0.000 0.865 45 V CB 2.695 34.482 31.823 -0.061 0.000 0.995 45 V HN -0.061 nan 8.190 nan 0.000 0.424 46 I N 5.710 126.254 120.570 -0.044 0.000 2.321 46 I HA 0.411 4.582 4.170 0.001 0.000 0.291 46 I C -0.317 175.751 176.117 -0.082 0.000 0.998 46 I CA -0.562 60.711 61.300 -0.044 0.000 1.227 46 I CB 1.494 39.480 38.000 -0.023 0.000 1.368 46 I HN 0.327 nan 8.210 nan 0.000 0.466 47 I N 5.474 125.993 120.570 -0.085 0.000 2.315 47 I HA 0.358 4.528 4.170 0.001 0.000 0.291 47 I C 0.988 177.006 176.117 -0.165 0.000 1.006 47 I CA -0.344 60.880 61.300 -0.126 0.000 1.265 47 I CB 0.830 38.770 38.000 -0.099 0.000 1.387 47 I HN 0.555 nan 8.210 nan 0.000 0.475 48 G N 4.421 113.024 108.800 -0.328 0.000 2.507 48 G HA2 0.665 4.625 3.960 0.001 0.000 0.271 48 G HA3 0.665 4.625 3.960 0.001 0.000 0.271 48 G C -0.752 173.970 174.900 -0.296 0.000 1.189 48 G CA -0.246 44.543 45.100 -0.518 0.000 0.859 48 G HN 0.845 nan 8.290 nan 0.000 0.542 49 A N 0.274 123.042 122.820 -0.086 0.000 2.574 49 A HA 0.707 5.028 4.320 0.001 0.000 0.297 49 A C -1.199 176.318 177.584 -0.112 0.000 1.062 49 A CA -0.572 51.331 52.037 -0.223 0.000 0.686 49 A CB 1.304 20.044 19.000 -0.433 0.000 1.285 49 A HN 0.704 nan 8.150 nan 0.000 0.403 50 L N 1.678 122.702 121.223 -0.332 0.000 2.372 50 L HA 0.682 5.022 4.340 0.001 0.000 0.274 50 L C -1.502 175.169 176.870 -0.331 0.000 0.988 50 L CA -0.161 54.573 54.840 -0.177 0.000 0.833 50 L CB 1.373 43.433 42.059 0.002 0.000 1.236 50 L HN 0.660 nan 8.230 nan 0.000 0.410 51 F N 0.143 120.172 119.950 0.131 0.000 2.593 51 F HA 0.324 4.852 4.527 0.001 0.000 0.320 51 F C 0.806 176.656 175.800 0.082 0.000 1.060 51 F CA -0.975 57.100 58.000 0.126 0.000 0.940 51 F CB 2.119 41.128 39.000 0.016 0.000 1.268 51 F HN 0.182 nan 8.300 nan 0.000 0.475 52 S N 1.215 117.151 115.700 0.392 0.000 4.139 52 S HA 0.193 4.663 4.470 0.001 0.000 0.215 52 S C 1.062 175.670 174.600 0.014 0.000 1.390 52 S CA -0.287 58.072 58.200 0.266 0.000 0.885 52 S CB -0.624 62.851 63.200 0.459 0.000 1.560 52 S HN 0.482 nan 8.310 nan 0.000 0.449 53 V N 3.041 122.864 119.914 -0.152 0.000 2.490 53 V HA -0.064 4.056 4.120 0.001 0.000 0.250 53 V C 0.677 176.412 176.094 -0.598 0.000 1.061 53 V CA 1.513 63.513 62.300 -0.501 0.000 1.064 53 V CB -0.710 30.474 31.823 -1.064 0.000 0.670 53 V HN 0.713 nan 8.190 nan 0.000 0.461 54 H N -2.328 116.641 119.070 -0.168 0.000 2.731 54 H HA 0.527 5.083 4.556 0.001 0.000 0.368 54 H C 0.088 175.370 175.328 -0.077 0.000 1.168 54 H CA -0.903 55.089 56.048 -0.095 0.000 1.181 54 H CB 0.751 30.498 29.762 -0.025 0.000 1.743 54 H HN 0.149 nan 8.280 nan 0.000 0.547 55 H N 0.840 119.962 119.070 0.086 0.000 2.801 55 H HA -0.011 4.545 4.556 0.001 0.000 0.377 55 H C 0.283 175.666 175.328 0.092 0.000 1.304 55 H CA 0.031 56.098 56.048 0.032 0.000 1.451 55 H CB 0.820 30.564 29.762 -0.031 0.000 1.474 55 H HN 0.679 nan 8.280 nan 0.000 0.620 56 Q N 1.246 121.200 119.800 0.257 0.000 2.454 56 Q HA 0.243 4.583 4.340 0.001 0.000 0.247 56 Q C -2.611 173.424 176.000 0.059 0.000 1.028 56 Q CA -1.807 54.106 55.803 0.184 0.000 0.910 56 Q CB -0.281 28.631 28.738 0.289 0.000 1.276 56 Q HN 0.215 nan 8.270 nan 0.000 0.489 57 P HA 0.032 nan 4.420 nan 0.000 0.262 57 P C -2.312 174.960 177.300 -0.048 0.000 1.182 57 P CA -0.508 62.537 63.100 -0.092 0.000 0.761 57 P CB -0.154 31.424 31.700 -0.203 0.000 0.795 58 P HA -0.093 nan 4.420 nan 0.000 0.269 58 P C 0.726 178.014 177.300 -0.020 0.000 1.211 58 P CA 0.178 63.267 63.100 -0.019 0.000 0.781 58 P CB 0.470 32.159 31.700 -0.020 0.000 0.877 59 A N 2.764 125.580 122.820 -0.007 0.000 1.927 59 A HA -0.247 4.073 4.320 0.001 0.000 0.220 59 A C 1.816 179.396 177.584 -0.006 0.000 1.185 59 A CA 2.106 54.144 52.037 0.001 0.000 0.639 59 A CB -1.076 17.928 19.000 0.006 0.000 0.820 59 A HN 0.704 nan 8.150 nan 0.000 0.451 60 E N -0.460 119.733 120.200 -0.010 0.000 2.358 60 E HA -0.064 4.286 4.350 0.001 0.000 0.195 60 E C 1.374 177.964 176.600 -0.017 0.000 1.010 60 E CA 1.148 57.542 56.400 -0.011 0.000 0.856 60 E CB -0.338 29.356 29.700 -0.009 0.000 0.795 60 E HN 0.402 nan 8.360 nan 0.000 0.504 61 K N 0.402 120.786 120.400 -0.027 0.000 2.379 61 K HA 0.170 4.491 4.320 0.001 0.000 0.194 61 K C 2.219 178.785 176.600 -0.056 0.000 1.031 61 K CA 0.593 56.858 56.287 -0.038 0.000 1.037 61 K CB -0.478 31.997 32.500 -0.042 0.000 0.824 61 K HN 0.110 nan 8.250 nan 0.000 0.516 62 V N 2.447 122.324 119.914 -0.062 0.000 2.278 62 V HA -0.238 3.883 4.120 0.001 0.000 0.251 62 V C -0.279 175.790 176.094 -0.042 0.000 1.062 62 V CA 2.366 64.615 62.300 -0.085 0.000 1.038 62 V CB -1.160 30.644 31.823 -0.031 0.000 0.646 62 V HN 0.391 nan 8.190 nan 0.000 0.447 63 P HA -0.066 nan 4.420 nan 0.000 0.219 63 P C 1.266 178.563 177.300 -0.004 0.000 1.150 63 P CA 2.098 65.199 63.100 0.001 0.000 0.814 63 P CB 0.035 31.738 31.700 0.004 0.000 0.787 64 E N 0.468 120.660 120.200 -0.014 0.000 2.489 64 E HA 0.017 4.367 4.350 0.001 0.000 0.193 64 E C 1.026 177.615 176.600 -0.019 0.000 1.057 64 E CA -0.022 56.370 56.400 -0.012 0.000 0.866 64 E CB -0.906 28.787 29.700 -0.012 0.000 0.916 64 E HN 0.242 nan 8.360 nan 0.000 0.500 65 R N -1.529 118.949 120.500 -0.036 0.000 3.516 65 R HA -0.141 4.199 4.340 0.001 0.000 0.271 65 R C 0.484 176.754 176.300 -0.048 0.000 1.098 65 R CA 0.807 56.877 56.100 -0.051 0.000 0.732 65 R CB -2.707 27.586 30.300 -0.013 0.000 1.152 65 R HN 0.555 nan 8.270 nan 0.000 0.455 66 K N 0.517 120.885 120.400 -0.053 0.000 2.258 66 K HA 0.420 4.740 4.320 0.001 0.000 0.284 66 K C 0.423 176.982 176.600 -0.068 0.000 1.051 66 K CA -0.130 56.125 56.287 -0.053 0.000 0.923 66 K CB 0.710 33.187 32.500 -0.039 0.000 1.046 66 K HN 0.330 nan 8.250 nan 0.000 0.474 67 c N 1.759 120.306 118.600 -0.087 0.000 2.396 67 c HA 0.788 5.358 4.570 0.001 0.000 0.359 67 c C 1.950 176.021 174.090 -0.032 0.000 1.307 67 c CA -0.107 56.184 56.329 -0.063 0.000 2.392 67 c CB 1.342 43.812 42.510 -0.066 0.000 2.245 67 c HN 1.069 nan 8.230 nan 0.000 0.615 68 G N 0.107 108.940 108.800 0.054 0.000 2.546 68 G HA2 0.422 4.382 3.960 0.001 0.000 0.239 68 G HA3 0.422 4.382 3.960 0.001 0.000 0.239 68 G C -0.303 174.690 174.900 0.155 0.000 1.476 68 G CA -0.301 44.852 45.100 0.089 0.000 1.064 68 G HN 0.904 nan 8.290 nan 0.000 0.561 69 E N -1.138 119.163 120.200 0.168 0.000 2.374 69 E HA 0.373 4.723 4.350 0.001 0.000 0.260 69 E C -0.084 176.634 176.600 0.197 0.000 1.101 69 E CA -0.826 55.672 56.400 0.163 0.000 0.907 69 E CB 1.334 31.059 29.700 0.040 0.000 1.014 69 E HN 0.295 nan 8.360 nan 0.000 0.427 70 I N 1.130 121.743 120.570 0.071 0.000 2.932 70 I HA -0.066 4.104 4.170 0.001 0.000 0.295 70 I C -0.045 175.970 176.117 -0.169 0.000 1.227 70 I CA 0.675 61.885 61.300 -0.150 0.000 1.429 70 I CB 0.251 38.204 38.000 -0.078 0.000 1.339 70 I HN 0.509 nan 8.210 nan 0.000 0.589 71 R N 5.834 126.206 120.500 -0.213 0.000 2.670 71 R HA 0.276 4.617 4.340 0.001 0.000 0.289 71 R C 0.120 176.370 176.300 -0.082 0.000 0.965 71 R CA -0.664 55.333 56.100 -0.172 0.000 0.899 71 R CB 1.815 31.923 30.300 -0.321 0.000 1.173 71 R HN 0.717 nan 8.270 nan 0.000 0.456 72 E N 1.518 121.724 120.200 0.011 0.000 2.057 72 E HA -0.123 4.227 4.350 0.001 0.000 0.191 72 E C 0.932 177.483 176.600 -0.083 0.000 0.959 72 E CA 0.753 57.154 56.400 0.001 0.000 0.828 72 E CB 0.365 30.174 29.700 0.182 0.000 0.800 72 E HN 0.450 nan 8.360 nan 0.000 0.460 73 Q N -0.368 119.410 119.800 -0.036 0.000 2.079 73 Q HA -0.127 4.214 4.340 0.001 0.000 0.200 73 Q C 1.583 177.486 176.000 -0.161 0.000 0.974 73 Q CA 1.527 57.261 55.803 -0.114 0.000 0.840 73 Q CB -0.204 28.495 28.738 -0.064 0.000 0.898 73 Q HN 0.379 nan 8.270 nan 0.000 0.430 74 Y N -1.100 119.088 120.300 -0.186 0.000 2.511 74 Y HA 0.197 4.747 4.550 0.001 0.000 0.279 74 Y C 1.595 177.414 175.900 -0.135 0.000 1.157 74 Y CA 0.668 58.688 58.100 -0.132 0.000 1.300 74 Y CB 0.226 38.593 38.460 -0.156 0.000 1.052 74 Y HN 0.144 nan 8.280 nan 0.000 0.529 75 G N -0.938 107.813 108.800 -0.082 0.000 2.449 75 G HA2 0.061 4.021 3.960 0.001 0.000 0.192 75 G HA3 0.061 4.021 3.960 0.001 0.000 0.192 75 G C 1.235 175.996 174.900 -0.232 0.000 1.776 75 G CA 0.054 45.058 45.100 -0.160 0.000 0.699 75 G HN -0.030 nan 8.290 nan 0.000 0.745 76 I N 1.530 121.974 120.570 -0.210 0.000 2.208 76 I HA -0.181 3.989 4.170 0.001 0.000 0.245 76 I C 2.849 178.933 176.117 -0.054 0.000 1.097 76 I CA 1.397 62.616 61.300 -0.134 0.000 1.363 76 I CB -1.092 36.686 38.000 -0.369 0.000 1.051 76 I HN 0.376 nan 8.210 nan 0.000 0.413 77 Q N 0.113 119.806 119.800 -0.178 0.000 2.096 77 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 77 Q C 2.406 178.258 176.000 -0.247 0.000 0.982 77 Q CA 1.538 57.222 55.803 -0.199 0.000 0.850 77 Q CB -0.137 28.356 28.738 -0.407 0.000 0.901 77 Q HN 0.488 nan 8.270 nan 0.000 0.422 78 R N -0.291 119.908 120.500 -0.501 0.000 2.075 78 R HA -0.084 4.256 4.340 0.001 0.000 0.232 78 R C 2.356 178.138 176.300 -0.863 0.000 1.126 78 R CA 1.053 56.608 56.100 -0.910 0.000 0.963 78 R CB -0.220 29.212 30.300 -1.447 0.000 0.858 78 R HN 0.076 nan 8.270 nan 0.000 0.435 79 V N 1.424 121.035 119.914 -0.505 0.000 2.287 79 V HA -0.244 3.876 4.120 0.001 0.000 0.248 79 V C 2.214 178.327 176.094 0.031 0.000 1.053 79 V CA 1.770 63.996 62.300 -0.123 0.000 1.027 79 V CB -0.381 31.548 31.823 0.177 0.000 0.646 79 V HN 0.283 nan 8.190 nan 0.000 0.447 80 E N 0.273 120.625 120.200 0.254 0.000 2.047 80 E HA -0.157 4.194 4.350 0.001 0.000 0.191 80 E C 2.392 179.303 176.600 0.518 0.000 0.987 80 E CA 1.507 58.243 56.400 0.559 0.000 0.799 80 E CB -0.630 29.512 29.700 0.736 0.000 0.752 80 E HN 0.559 nan 8.360 nan 0.000 0.449 81 A N 1.240 124.302 122.820 0.403 0.000 1.940 81 A HA -0.199 4.121 4.320 0.001 0.000 0.219 81 A C 2.265 179.920 177.584 0.119 0.000 1.176 81 A CA 1.944 54.164 52.037 0.304 0.000 0.631 81 A CB -0.556 18.413 19.000 -0.052 0.000 0.814 81 A HN 0.280 nan 8.150 nan 0.000 0.446 82 M N -1.608 117.996 119.600 0.007 0.000 2.086 82 M HA -0.092 4.388 4.480 0.001 0.000 0.261 82 M C 1.926 178.236 176.300 0.017 0.000 1.067 82 M CA 1.839 57.135 55.300 -0.007 0.000 1.116 82 M CB -0.309 32.308 32.600 0.029 0.000 1.348 82 M HN 0.443 nan 8.290 nan 0.000 0.407 83 F N -0.900 119.118 119.950 0.113 0.000 2.065 83 F HA -0.326 4.201 4.527 0.001 0.000 0.298 83 F C 2.583 178.375 175.800 -0.013 0.000 1.112 83 F CA 1.760 59.806 58.000 0.076 0.000 1.212 83 F CB -0.646 38.436 39.000 0.136 0.000 0.975 83 F HN 0.341 nan 8.300 nan 0.000 0.476 84 H N -0.257 118.803 119.070 -0.017 0.000 2.389 84 H HA -0.105 4.451 4.556 0.001 0.000 0.299 84 H C 2.135 177.372 175.328 -0.152 0.000 1.081 84 H CA 2.082 57.931 56.048 -0.332 0.000 1.345 84 H CB -0.515 28.671 29.762 -0.960 0.000 1.393 84 H HN 0.037 nan 8.280 nan 0.000 0.520 85 T N 0.718 115.196 114.554 -0.127 0.000 2.746 85 T HA -0.092 4.258 4.350 0.001 0.000 0.267 85 T C 2.246 176.799 174.700 -0.245 0.000 1.039 85 T CA 1.337 63.322 62.100 -0.191 0.000 1.142 85 T CB -0.262 68.528 68.868 -0.131 0.000 0.866 85 T HN 0.238 nan 8.240 nan 0.000 0.444 86 L N 0.810 121.945 121.223 -0.148 0.000 2.083 86 L HA -0.115 4.226 4.340 0.001 0.000 0.209 86 L C 2.497 179.300 176.870 -0.113 0.000 1.083 86 L CA 1.114 55.878 54.840 -0.127 0.000 0.752 86 L CB -0.591 41.448 42.059 -0.032 0.000 0.899 86 L HN 0.172 nan 8.230 nan 0.000 0.433 87 D N 0.213 120.557 120.400 -0.094 0.000 2.123 87 D HA -0.219 4.422 4.640 0.001 0.000 0.196 87 D C 2.116 178.329 176.300 -0.145 0.000 0.992 87 D CA 1.276 55.219 54.000 -0.095 0.000 0.833 87 D CB 0.000 40.759 40.800 -0.069 0.000 0.954 87 D HN 0.220 nan 8.370 nan 0.000 0.455 88 K N 0.350 120.609 120.400 -0.236 0.000 2.057 88 K HA -0.069 4.251 4.320 0.001 0.000 0.207 88 K C 2.262 178.800 176.600 -0.103 0.000 1.049 88 K CA 0.728 56.905 56.287 -0.184 0.000 0.931 88 K CB -0.091 32.279 32.500 -0.216 0.000 0.714 88 K HN 0.073 nan 8.250 nan 0.000 0.440 89 I N 1.464 121.942 120.570 -0.153 0.000 2.226 89 I HA -0.281 3.889 4.170 0.001 0.000 0.245 89 I C 1.802 177.852 176.117 -0.112 0.000 1.100 89 I CA 0.936 62.147 61.300 -0.149 0.000 1.374 89 I CB -0.359 37.467 38.000 -0.289 0.000 1.057 89 I HN 0.229 nan 8.210 nan 0.000 0.413 90 N N 1.085 119.720 118.700 -0.108 0.000 2.289 90 N HA -0.103 4.637 4.740 0.001 0.000 0.184 90 N C 1.778 177.252 175.510 -0.059 0.000 1.016 90 N CA 1.469 54.470 53.050 -0.080 0.000 0.872 90 N CB -0.220 38.227 38.487 -0.065 0.000 0.973 90 N HN 0.359 nan 8.380 nan 0.000 0.433 91 A N 0.198 122.986 122.820 -0.054 0.000 2.067 91 A HA -0.059 4.261 4.320 0.001 0.000 0.217 91 A C 0.918 178.487 177.584 -0.025 0.000 1.156 91 A CA 0.126 52.142 52.037 -0.034 0.000 0.683 91 A CB -0.147 18.835 19.000 -0.030 0.000 0.808 91 A HN 0.141 nan 8.150 nan 0.000 0.455 92 D N 0.589 120.973 120.400 -0.027 0.000 2.417 92 D HA 0.065 4.706 4.640 0.001 0.000 0.250 92 D C -1.419 174.871 176.300 -0.016 0.000 1.166 92 D CA -1.127 52.867 54.000 -0.011 0.000 0.881 92 D CB 1.234 42.035 40.800 0.002 0.000 1.164 92 D HN 0.153 nan 8.370 nan 0.000 0.467 93 P HA -0.058 nan 4.420 nan 0.000 0.227 93 P C 1.396 178.697 177.300 0.002 0.000 1.161 93 P CA 0.220 63.318 63.100 -0.003 0.000 0.788 93 P CB 0.632 32.335 31.700 0.005 0.000 0.822 94 V N -0.138 119.783 119.914 0.011 0.000 2.492 94 V HA -0.004 4.116 4.120 0.001 0.000 0.241 94 V C 1.385 177.486 176.094 0.013 0.000 1.041 94 V CA 0.381 62.698 62.300 0.027 0.000 1.057 94 V CB -0.647 31.204 31.823 0.047 0.000 0.711 94 V HN 0.020 nan 8.190 nan 0.000 0.468 95 L N 1.755 122.966 121.223 -0.020 0.000 2.313 95 L HA 0.389 4.729 4.340 0.001 0.000 0.282 95 L C 0.054 176.849 176.870 -0.126 0.000 1.092 95 L CA -0.100 54.684 54.840 -0.093 0.000 0.831 95 L CB -0.413 41.565 42.059 -0.135 0.000 1.159 95 L HN 0.304 nan 8.230 nan 0.000 0.442 96 L N 7.057 128.180 121.223 -0.166 0.000 3.823 96 L HA -0.250 4.090 4.340 0.001 0.000 0.525 96 L C -1.406 175.376 176.870 -0.147 0.000 1.247 96 L CA -0.427 54.295 54.840 -0.197 0.000 0.776 96 L CB -1.101 40.833 42.059 -0.208 0.000 1.443 96 L HN 0.577 nan 8.230 nan 0.000 0.831 97 P HA -0.192 nan 4.420 nan 0.000 0.214 97 P C 0.462 177.718 177.300 -0.073 0.000 1.172 97 P CA 1.989 65.049 63.100 -0.068 0.000 0.925 97 P CB 0.065 31.744 31.700 -0.035 0.000 0.793 98 N N -1.639 117.005 118.700 -0.093 0.000 2.480 98 N HA 0.288 5.028 4.740 0.001 0.000 0.281 98 N C -0.595 174.857 175.510 -0.097 0.000 1.381 98 N CA -0.042 52.965 53.050 -0.072 0.000 0.903 98 N CB 0.059 38.522 38.487 -0.039 0.000 1.274 98 N HN 0.127 nan 8.380 nan 0.000 0.505 99 I N 0.877 121.368 120.570 -0.131 0.000 2.410 99 I HA 0.258 4.428 4.170 0.001 0.000 0.286 99 I C -0.047 176.005 176.117 -0.109 0.000 1.009 99 I CA -0.881 60.339 61.300 -0.133 0.000 1.111 99 I CB 1.559 39.441 38.000 -0.198 0.000 1.262 99 I HN 0.072 nan 8.210 nan 0.000 0.443 100 T N 4.837 119.344 114.554 -0.079 0.000 2.856 100 T HA 0.614 4.964 4.350 0.001 0.000 0.292 100 T C -0.275 174.384 174.700 -0.068 0.000 0.980 100 T CA -0.706 61.353 62.100 -0.068 0.000 1.091 100 T CB 1.245 70.086 68.868 -0.045 0.000 0.936 100 T HN 0.311 nan 8.240 nan 0.000 0.503 101 L N 2.928 124.107 121.223 -0.073 0.000 2.275 101 L HA 0.625 4.965 4.340 0.001 0.000 0.288 101 L C 1.048 177.898 176.870 -0.033 0.000 1.046 101 L CA -0.743 54.055 54.840 -0.069 0.000 0.805 101 L CB 1.151 43.148 42.059 -0.102 0.000 1.193 101 L HN 0.998 nan 8.230 nan 0.000 0.426 102 G N 1.550 110.339 108.800 -0.019 0.000 2.642 102 G HA2 0.688 4.649 3.960 0.001 0.000 0.291 102 G HA3 0.688 4.649 3.960 0.001 0.000 0.291 102 G C -0.805 174.109 174.900 0.023 0.000 1.345 102 G CA -0.305 44.807 45.100 0.020 0.000 1.043 102 G HN 0.594 nan 8.290 nan 0.000 0.528 103 S N -1.855 113.884 115.700 0.065 0.000 2.556 103 S HA 0.633 5.103 4.470 0.001 0.000 0.271 103 S C -1.239 173.420 174.600 0.098 0.000 1.135 103 S CA -0.738 57.495 58.200 0.055 0.000 0.858 103 S CB 2.365 65.588 63.200 0.038 0.000 1.114 103 S HN 0.738 nan 8.310 nan 0.000 0.468 104 E N 2.082 122.346 120.200 0.105 0.000 2.580 104 E HA 0.420 4.771 4.350 0.001 0.000 0.248 104 E C -1.438 175.336 176.600 0.290 0.000 1.018 104 E CA -0.495 56.029 56.400 0.208 0.000 0.775 104 E CB 0.636 30.491 29.700 0.258 0.000 1.378 104 E HN 0.732 nan 8.360 nan 0.000 0.401 105 I N 4.057 124.772 120.570 0.241 0.000 2.315 105 I HA 0.416 4.586 4.170 0.001 0.000 0.291 105 I C 0.352 176.703 176.117 0.389 0.000 1.006 105 I CA -0.451 61.013 61.300 0.272 0.000 1.265 105 I CB 1.070 39.207 38.000 0.229 0.000 1.387 105 I HN 0.310 nan 8.210 nan 0.000 0.475 106 R N 3.188 123.869 120.500 0.303 0.000 2.854 106 R HA 0.373 4.713 4.340 0.001 0.000 0.271 106 R C -1.113 175.287 176.300 0.167 0.000 0.996 106 R CA -1.022 55.220 56.100 0.237 0.000 0.961 106 R CB 1.852 32.107 30.300 -0.074 0.000 1.182 106 R HN 0.439 nan 8.270 nan 0.000 0.479 107 D N 0.196 120.696 120.400 0.166 0.000 2.280 107 D HA 0.050 4.690 4.640 0.001 0.000 0.243 107 D C 0.699 177.045 176.300 0.076 0.000 1.129 107 D CA -0.015 54.017 54.000 0.053 0.000 0.848 107 D CB 1.439 42.290 40.800 0.086 0.000 1.107 107 D HN 0.519 nan 8.370 nan 0.000 0.471 108 S N 1.585 117.335 115.700 0.084 0.000 2.501 108 S HA -0.055 4.415 4.470 0.001 0.000 0.220 108 S C 1.312 175.997 174.600 0.142 0.000 0.997 108 S CA 0.141 58.395 58.200 0.090 0.000 0.919 108 S CB -0.624 62.623 63.200 0.079 0.000 0.778 108 S HN 0.672 nan 8.310 nan 0.000 0.523 109 c N 1.324 120.026 118.600 0.171 0.000 4.185 109 c HA -0.164 4.406 4.570 0.001 0.000 0.297 109 c C 0.750 175.042 174.090 0.336 0.000 1.463 109 c CA 0.451 56.911 56.329 0.217 0.000 2.032 109 c CB -3.106 39.503 42.510 0.164 0.000 1.282 109 c HN 0.888 nan 8.230 nan 0.000 0.770 110 W N -0.158 121.193 121.300 0.086 0.000 6.170 110 W HA -0.207 4.453 4.660 0.001 0.000 0.394 110 W C 0.170 176.772 176.519 0.139 0.000 1.480 110 W CA 1.926 59.322 57.345 0.085 0.000 1.027 110 W CB -1.138 28.345 29.460 0.038 0.000 2.638 110 W HN 0.851 nan 8.180 nan 0.000 1.547 111 H N -0.045 119.042 119.070 0.027 0.000 2.966 111 H HA 0.155 4.712 4.556 0.001 0.000 0.347 111 H C 0.964 176.270 175.328 -0.038 0.000 1.048 111 H CA 0.382 56.436 56.048 0.010 0.000 1.295 111 H CB 1.751 31.553 29.762 0.066 0.000 1.744 111 H HN -0.195 nan 8.280 nan 0.000 0.513 112 S N 2.202 117.671 115.700 -0.384 0.000 2.368 112 S HA -0.218 4.252 4.470 0.001 0.000 0.226 112 S C 2.111 176.665 174.600 -0.078 0.000 1.044 112 S CA 1.872 59.936 58.200 -0.227 0.000 1.062 112 S CB -0.062 62.988 63.200 -0.251 0.000 0.931 112 S HN 0.638 nan 8.310 nan 0.000 0.440 113 S N 0.355 116.054 115.700 -0.003 0.000 2.359 113 S HA -0.106 4.365 4.470 0.001 0.000 0.224 113 S C 1.916 176.598 174.600 0.137 0.000 1.035 113 S CA 1.413 59.698 58.200 0.142 0.000 1.018 113 S CB -0.369 62.997 63.200 0.277 0.000 0.876 113 S HN 0.330 nan 8.310 nan 0.000 0.448 114 V N 1.844 121.879 119.914 0.202 0.000 2.358 114 V HA -0.108 4.013 4.120 0.001 0.000 0.246 114 V C 2.706 178.830 176.094 0.049 0.000 1.047 114 V CA 1.645 64.007 62.300 0.104 0.000 1.035 114 V CB -1.266 30.626 31.823 0.115 0.000 0.658 114 V HN 0.571 nan 8.190 nan 0.000 0.452 115 A N -0.218 122.626 122.820 0.041 0.000 1.933 115 A HA -0.198 4.122 4.320 0.001 0.000 0.218 115 A C 2.165 179.740 177.584 -0.015 0.000 1.175 115 A CA 2.061 54.098 52.037 -0.001 0.000 0.628 115 A CB -0.523 18.463 19.000 -0.023 0.000 0.814 115 A HN 0.444 nan 8.150 nan 0.000 0.444 116 L N 0.098 121.319 121.223 -0.004 0.000 2.072 116 L HA -0.115 4.225 4.340 0.001 0.000 0.205 116 L C 2.375 179.237 176.870 -0.014 0.000 1.079 116 L CA 2.500 57.339 54.840 -0.001 0.000 0.752 116 L CB -0.567 41.496 42.059 0.007 0.000 0.906 116 L HN 0.626 nan 8.230 nan 0.000 0.436 117 E N -1.125 119.070 120.200 -0.009 0.000 2.058 117 E HA -0.281 4.070 4.350 0.001 0.000 0.194 117 E C 1.913 178.468 176.600 -0.075 0.000 0.997 117 E CA 1.437 57.823 56.400 -0.023 0.000 0.801 117 E CB -0.053 29.645 29.700 -0.002 0.000 0.746 117 E HN 0.553 nan 8.360 nan 0.000 0.450 118 Q N 0.147 119.883 119.800 -0.107 0.000 2.172 118 Q HA -0.033 4.307 4.340 0.001 0.000 0.200 118 Q C 2.327 178.081 176.000 -0.410 0.000 0.964 118 Q CA 1.102 56.760 55.803 -0.241 0.000 0.855 118 Q CB -0.029 28.579 28.738 -0.216 0.000 0.918 118 Q HN 0.204 nan 8.270 nan 0.000 0.444 119 S N 0.800 116.373 115.700 -0.211 0.000 2.406 119 S HA -0.030 4.441 4.470 0.001 0.000 0.228 119 S C 1.918 176.482 174.600 -0.060 0.000 1.020 119 S CA 0.387 58.544 58.200 -0.071 0.000 0.965 119 S CB 0.011 63.250 63.200 0.065 0.000 0.798 119 S HN 0.253 nan 8.310 nan 0.000 0.488 120 I N 2.124 122.646 120.570 -0.080 0.000 2.208 120 I HA -0.126 4.045 4.170 0.001 0.000 0.245 120 I C 2.390 178.442 176.117 -0.109 0.000 1.097 120 I CA 1.319 62.572 61.300 -0.079 0.000 1.363 120 I CB -1.175 36.800 38.000 -0.041 0.000 1.051 120 I HN 0.270 nan 8.210 nan 0.000 0.413 121 E N 0.479 120.588 120.200 -0.151 0.000 2.085 121 E HA -0.205 4.146 4.350 0.001 0.000 0.194 121 E C 2.220 178.765 176.600 -0.092 0.000 0.994 121 E CA 1.138 57.451 56.400 -0.146 0.000 0.801 121 E CB -0.438 29.146 29.700 -0.193 0.000 0.743 121 E HN 0.348 nan 8.360 nan 0.000 0.453 122 F N 0.859 120.758 119.950 -0.084 0.000 2.091 122 F HA -0.177 4.350 4.527 0.000 0.000 0.299 122 F C 2.302 177.998 175.800 -0.174 0.000 1.103 122 F CA 1.143 59.079 58.000 -0.107 0.000 1.228 122 F CB -0.847 38.089 39.000 -0.107 0.000 0.984 122 F HN 0.089 nan 8.300 nan 0.000 0.477 123 I N -2.279 118.237 120.570 -0.090 0.000 3.793 123 I HA 0.163 4.333 4.170 0.001 0.000 0.315 123 I C 1.985 177.957 176.117 -0.241 0.000 1.275 123 I CA 0.519 61.608 61.300 -0.353 0.000 1.214 123 I CB -0.852 36.529 38.000 -1.031 0.000 1.018 123 I HN -0.067 nan 8.210 nan 0.000 0.439 124 R N 1.745 122.173 120.500 -0.120 0.000 2.103 124 R HA -0.227 4.113 4.340 0.001 0.000 0.242 124 R C 2.169 178.446 176.300 -0.038 0.000 1.142 124 R CA 2.476 58.538 56.100 -0.064 0.000 0.960 124 R CB -0.986 29.292 30.300 -0.037 0.000 0.858 124 R HN 0.634 nan 8.270 nan 0.000 0.439 125 D N -0.314 120.068 120.400 -0.030 0.000 2.230 125 D HA -0.227 4.413 4.640 0.001 0.000 0.189 125 D C 1.649 177.945 176.300 -0.006 0.000 1.006 125 D CA 2.252 56.246 54.000 -0.011 0.000 0.853 125 D CB -0.916 39.880 40.800 -0.006 0.000 0.959 125 D HN 0.442 nan 8.370 nan 0.000 0.449 126 S N -0.767 114.922 115.700 -0.019 0.000 2.595 126 S HA 0.317 4.787 4.470 0.001 0.000 0.235 126 S C 0.273 174.913 174.600 0.066 0.000 0.974 126 S CA 0.215 58.434 58.200 0.031 0.000 0.942 126 S CB -0.098 63.138 63.200 0.060 0.000 0.766 126 S HN 0.415 nan 8.310 nan 0.000 0.536 155 P HA 0.216 nan 4.420 nan 0.000 0.272 155 P C -0.147 177.132 177.300 -0.034 0.000 1.223 155 P CA -0.508 62.583 63.100 -0.014 0.000 0.784 155 P CB 0.632 32.326 31.700 -0.009 0.000 0.923 156 I N 1.323 121.855 120.570 -0.063 0.000 2.556 156 I HA 0.015 4.186 4.170 0.001 0.000 0.284 156 I C 1.583 177.632 176.117 -0.115 0.000 1.114 156 I CA 0.075 61.296 61.300 -0.131 0.000 1.418 156 I CB 0.584 38.425 38.000 -0.264 0.000 1.394 156 I HN 0.533 nan 8.210 nan 0.000 0.552 157 A N 5.451 128.206 122.820 -0.107 0.000 1.935 157 A HA 0.417 4.737 4.320 0.001 0.000 0.214 157 A C 1.023 178.561 177.584 -0.076 0.000 1.178 157 A CA 1.048 53.042 52.037 -0.070 0.000 0.640 157 A CB -0.062 18.905 19.000 -0.055 0.000 0.825 157 A HN 0.842 nan 8.150 nan 0.000 0.447 158 G N -2.589 106.132 108.800 -0.130 0.000 2.576 158 G HA2 0.489 4.449 3.960 0.001 0.000 0.290 158 G HA3 0.489 4.449 3.960 0.001 0.000 0.290 158 G C -1.844 172.923 174.900 -0.221 0.000 1.442 158 G CA -0.162 44.860 45.100 -0.130 0.000 0.792 158 G HN 0.421 nan 8.290 nan 0.000 0.491 159 V N 1.182 120.979 119.914 -0.195 0.000 2.588 159 V HA 0.494 4.615 4.120 0.001 0.000 0.304 159 V C -0.482 175.534 176.094 -0.130 0.000 1.042 159 V CA -0.844 61.313 62.300 -0.239 0.000 0.877 159 V CB 1.755 33.432 31.823 -0.244 0.000 0.996 159 V HN 0.625 nan 8.190 nan 0.000 0.425 160 I N 4.115 124.615 120.570 -0.117 0.000 2.331 160 I HA 0.734 4.904 4.170 0.001 0.000 0.292 160 I C 0.839 176.949 176.117 -0.011 0.000 0.998 160 I CA 0.571 61.861 61.300 -0.017 0.000 1.267 160 I CB 0.564 38.579 38.000 0.025 0.000 1.386 160 I HN 0.937 nan 8.210 nan 0.000 0.476 161 G N 8.608 117.434 108.800 0.044 0.000 2.582 161 G HA2 -0.097 3.863 3.960 0.001 0.000 0.222 161 G HA3 -0.097 3.863 3.960 0.001 0.000 0.222 161 G C -3.052 171.792 174.900 -0.094 0.000 1.311 161 G CA -0.842 44.213 45.100 -0.074 0.000 0.915 161 G HN 0.458 nan 8.290 nan 0.000 0.528 162 P HA 0.334 nan 4.420 nan 0.000 0.297 162 P C 1.284 178.433 177.300 -0.251 0.000 1.303 162 P CA 0.820 63.857 63.100 -0.105 0.000 0.753 162 P CB 0.300 31.933 31.700 -0.113 0.000 1.281 163 G N -0.622 108.085 108.800 -0.155 0.000 2.408 163 G HA2 -0.052 3.908 3.960 0.001 0.000 0.215 163 G HA3 -0.052 3.908 3.960 0.001 0.000 0.215 163 G C 0.728 175.458 174.900 -0.283 0.000 1.156 163 G CA 0.712 45.746 45.100 -0.111 0.000 0.793 163 G HN 0.717 nan 8.290 nan 0.000 0.535 164 S N -0.737 114.598 115.700 -0.607 0.000 2.565 164 S HA 0.528 4.998 4.470 0.001 0.000 0.290 164 S C 1.183 175.588 174.600 -0.325 0.000 1.150 164 S CA 0.294 58.193 58.200 -0.500 0.000 1.058 164 S CB 2.119 64.793 63.200 -0.877 0.000 1.032 164 S HN 0.001 nan 8.310 nan 0.000 0.510 165 S N 2.189 117.763 115.700 -0.209 0.000 2.368 165 S HA -0.127 4.343 4.470 0.001 0.000 0.225 165 S C 2.253 176.697 174.600 -0.260 0.000 1.030 165 S CA 1.618 59.682 58.200 -0.226 0.000 0.999 165 S CB -0.742 62.359 63.200 -0.166 0.000 0.844 165 S HN 0.990 nan 8.310 nan 0.000 0.459 166 S N 1.498 117.069 115.700 -0.215 0.000 2.383 166 S HA -0.044 4.426 4.470 0.001 0.000 0.227 166 S C 1.880 176.345 174.600 -0.225 0.000 1.026 166 S CA 1.089 59.171 58.200 -0.197 0.000 0.981 166 S CB -0.745 62.369 63.200 -0.144 0.000 0.818 166 S HN 0.291 nan 8.310 nan 0.000 0.472 167 V N 2.567 122.310 119.914 -0.285 0.000 2.358 167 V HA -0.049 4.071 4.120 0.001 0.000 0.246 167 V C 3.150 179.117 176.094 -0.211 0.000 1.047 167 V CA 1.492 63.630 62.300 -0.270 0.000 1.035 167 V CB -1.519 30.081 31.823 -0.372 0.000 0.658 167 V HN 0.658 nan 8.190 nan 0.000 0.452 168 A N 0.072 122.751 122.820 -0.235 0.000 1.902 168 A HA -0.185 4.135 4.320 0.001 0.000 0.217 168 A C 2.195 179.648 177.584 -0.218 0.000 1.181 168 A CA 1.888 53.818 52.037 -0.179 0.000 0.623 168 A CB -0.556 18.343 19.000 -0.169 0.000 0.818 168 A HN 0.502 nan 8.150 nan 0.000 0.443 169 I N -0.502 119.875 120.570 -0.321 0.000 2.163 169 I HA -0.306 3.865 4.170 0.001 0.000 0.243 169 I C 2.762 178.811 176.117 -0.115 0.000 1.085 169 I CA 1.335 62.432 61.300 -0.338 0.000 1.347 169 I CB -0.349 37.446 38.000 -0.341 0.000 1.044 169 I HN 0.363 nan 8.210 nan 0.000 0.408 170 Q N 0.199 119.941 119.800 -0.097 0.000 2.050 170 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 170 Q C 2.508 178.508 176.000 -0.001 0.000 0.980 170 Q CA 1.414 57.194 55.803 -0.039 0.000 0.840 170 Q CB -0.625 28.075 28.738 -0.065 0.000 0.898 170 Q HN 0.406 nan 8.270 nan 0.000 0.424 171 V N 1.282 121.189 119.914 -0.012 0.000 2.343 171 V HA -0.277 3.843 4.120 0.001 0.000 0.247 171 V C 2.464 178.605 176.094 0.077 0.000 1.051 171 V CA 2.071 64.392 62.300 0.036 0.000 1.036 171 V CB -0.600 31.242 31.823 0.032 0.000 0.654 171 V HN 0.349 nan 8.190 nan 0.000 0.451 172 Q N 0.990 120.835 119.800 0.074 0.000 2.170 172 Q HA -0.193 4.148 4.340 0.001 0.000 0.203 172 Q C 1.776 177.877 176.000 0.168 0.000 0.976 172 Q CA 2.275 58.167 55.803 0.148 0.000 0.858 172 Q CB -0.684 28.145 28.738 0.152 0.000 0.907 172 Q HN 0.775 nan 8.270 nan 0.000 0.433 173 N N -0.748 118.038 118.700 0.142 0.000 2.223 173 N HA -0.123 4.617 4.740 0.001 0.000 0.185 173 N C 1.387 176.960 175.510 0.105 0.000 1.016 173 N CA 0.924 54.050 53.050 0.127 0.000 0.863 173 N CB -0.054 38.493 38.487 0.099 0.000 0.983 173 N HN 0.233 nan 8.380 nan 0.000 0.429 174 L N 0.799 122.093 121.223 0.118 0.000 2.102 174 L HA 0.086 4.426 4.340 0.001 0.000 0.202 174 L C 1.772 178.780 176.870 0.230 0.000 1.076 174 L CA 1.058 55.996 54.840 0.165 0.000 0.761 174 L CB -0.308 41.840 42.059 0.148 0.000 0.921 174 L HN 0.108 nan 8.230 nan 0.000 0.444 175 L N 0.018 121.345 121.223 0.174 0.000 2.042 175 L HA -0.266 4.075 4.340 0.001 0.000 0.210 175 L C 2.729 179.638 176.870 0.065 0.000 1.076 175 L CA 1.930 56.860 54.840 0.150 0.000 0.749 175 L CB -0.896 41.222 42.059 0.099 0.000 0.893 175 L HN 0.559 nan 8.230 nan 0.000 0.432 176 Q N 0.221 120.040 119.800 0.032 0.000 2.291 176 Q HA -0.181 4.159 4.340 0.001 0.000 0.206 176 Q C 2.068 177.946 176.000 -0.203 0.000 0.976 176 Q CA 1.329 57.065 55.803 -0.112 0.000 0.875 176 Q CB -0.340 28.479 28.738 0.136 0.000 0.927 176 Q HN 0.538 nan 8.270 nan 0.000 0.450 177 L N -0.592 120.558 121.223 -0.121 0.000 2.291 177 L HA -0.002 4.338 4.340 0.001 0.000 0.214 177 L C 0.929 177.467 176.870 -0.553 0.000 1.120 177 L CA 0.694 55.346 54.840 -0.313 0.000 0.799 177 L CB -0.030 41.812 42.059 -0.361 0.000 0.925 177 L HN 0.203 nan 8.230 nan 0.000 0.446 178 F N -1.049 118.804 119.950 -0.161 0.000 2.647 178 F HA 0.155 4.682 4.527 0.001 0.000 0.300 178 F C 0.191 175.840 175.800 -0.252 0.000 1.106 178 F CA -0.791 57.119 58.000 -0.151 0.000 1.313 178 F CB -0.158 38.789 39.000 -0.089 0.000 1.007 178 F HN -0.050 nan 8.300 nan 0.000 0.536 179 D N 1.459 121.622 120.400 -0.397 0.000 2.686 179 D HA -0.226 4.415 4.640 0.001 0.000 0.235 179 D C -0.207 175.815 176.300 -0.463 0.000 1.160 179 D CA 0.804 54.315 54.000 -0.815 0.000 0.645 179 D CB -1.299 39.344 40.800 -0.261 0.000 1.039 179 D HN 0.304 nan 8.370 nan 0.000 0.423 180 I N 0.492 120.859 120.570 -0.340 0.000 2.307 180 I HA 0.232 4.402 4.170 0.001 0.000 0.289 180 I C -2.025 174.112 176.117 0.034 0.000 1.021 180 I CA -1.943 59.305 61.300 -0.087 0.000 1.224 180 I CB 1.361 39.327 38.000 -0.057 0.000 1.376 180 I HN -0.306 nan 8.210 nan 0.000 0.470 181 P HA 0.057 nan 4.420 nan 0.000 0.269 181 P C -1.089 176.231 177.300 0.033 0.000 1.209 181 P CA -0.252 62.956 63.100 0.180 0.000 0.776 181 P CB 0.519 32.281 31.700 0.103 0.000 0.876 182 Q N 2.318 122.116 119.800 -0.003 0.000 2.304 182 Q HA 0.532 4.873 4.340 0.001 0.000 0.270 182 Q C -1.568 174.281 176.000 -0.252 0.000 1.035 182 Q CA -0.510 55.250 55.803 -0.072 0.000 0.781 182 Q CB 1.018 29.782 28.738 0.045 0.000 1.261 182 Q HN 0.359 nan 8.270 nan 0.000 0.444 183 I N 2.949 123.388 120.570 -0.219 0.000 2.389 183 I HA 0.594 4.764 4.170 0.001 0.000 0.288 183 I C -0.273 175.717 176.117 -0.210 0.000 0.999 183 I CA -0.864 60.275 61.300 -0.269 0.000 1.129 183 I CB 1.781 39.727 38.000 -0.090 0.000 1.288 183 I HN 0.646 nan 8.210 nan 0.000 0.444 184 A N 5.126 127.720 122.820 -0.376 0.000 2.303 184 A HA 0.579 4.899 4.320 0.001 0.000 0.317 184 A C -0.217 177.286 177.584 -0.135 0.000 1.149 184 A CA -0.308 51.561 52.037 -0.281 0.000 0.822 184 A CB 0.420 19.340 19.000 -0.133 0.000 1.131 184 A HN 0.804 nan 8.150 nan 0.000 0.493 185 Y N -0.624 119.697 120.300 0.036 0.000 2.430 185 Y HA 0.314 4.864 4.550 0.001 0.000 0.248 185 Y C 1.139 176.991 175.900 -0.080 0.000 1.108 185 Y CA 0.382 58.510 58.100 0.046 0.000 1.264 185 Y CB 0.044 38.603 38.460 0.166 0.000 1.172 185 Y HN 0.573 nan 8.280 nan 0.000 0.520 186 S N -0.719 114.841 115.700 -0.233 0.000 2.800 186 S HA 0.546 5.016 4.470 0.001 0.000 0.266 186 S C 0.503 175.052 174.600 -0.085 0.000 1.029 186 S CA -0.035 58.103 58.200 -0.104 0.000 1.302 186 S CB -0.413 62.856 63.200 0.114 0.000 1.212 186 S HN 0.396 nan 8.310 nan 0.000 0.683 187 A N 2.675 125.427 122.820 -0.114 0.000 2.410 187 A HA 0.551 4.871 4.320 0.001 0.000 0.292 187 A C 1.134 178.720 177.584 0.003 0.000 1.232 187 A CA 0.259 52.268 52.037 -0.048 0.000 0.893 187 A CB -0.247 18.731 19.000 -0.036 0.000 1.131 187 A HN 0.633 nan 8.150 nan 0.000 0.530 188 T N -0.235 114.324 114.554 0.008 0.000 3.069 188 T HA 0.175 4.525 4.350 0.001 0.000 0.252 188 T C 0.873 175.592 174.700 0.032 0.000 1.053 188 T CA 0.439 62.562 62.100 0.038 0.000 0.964 188 T CB -0.269 68.654 68.868 0.092 0.000 1.005 188 T HN 0.629 nan 8.240 nan 0.000 0.532 189 S N 0.727 116.412 115.700 -0.025 0.000 2.552 189 S HA 0.184 4.654 4.470 0.001 0.000 0.289 189 S C 1.390 175.946 174.600 -0.074 0.000 1.304 189 S CA -0.577 57.590 58.200 -0.054 0.000 1.063 189 S CB -0.266 62.857 63.200 -0.129 0.000 0.848 189 S HN 0.420 nan 8.310 nan 0.000 0.499 190 I N 3.526 124.058 120.570 -0.064 0.000 2.361 190 I HA -0.147 4.024 4.170 0.001 0.000 0.251 190 I C 1.804 177.887 176.117 -0.055 0.000 1.133 190 I CA 1.027 62.290 61.300 -0.062 0.000 1.413 190 I CB -0.353 37.591 38.000 -0.095 0.000 1.073 190 I HN 0.590 nan 8.210 nan 0.000 0.424 191 D N 1.045 121.403 120.400 -0.070 0.000 2.158 191 D HA -0.177 4.463 4.640 0.001 0.000 0.197 191 D C 2.156 178.453 176.300 -0.004 0.000 0.995 191 D CA 1.256 55.243 54.000 -0.022 0.000 0.846 191 D CB -0.304 40.473 40.800 -0.038 0.000 0.941 191 D HN 0.300 nan 8.370 nan 0.000 0.456 192 L N 0.274 121.363 121.223 -0.223 0.000 2.456 192 L HA -0.069 4.271 4.340 0.001 0.000 0.224 192 L C 1.901 178.756 176.870 -0.025 0.000 1.148 192 L CA 0.506 55.100 54.840 -0.410 0.000 0.825 192 L CB -0.090 41.437 42.059 -0.887 0.000 0.937 192 L HN -0.083 nan 8.230 nan 0.000 0.450 193 S N -1.439 114.290 115.700 0.047 0.000 2.561 193 S HA -0.074 4.396 4.470 0.001 0.000 0.225 193 S C 0.699 175.361 174.600 0.103 0.000 0.977 193 S CA 0.154 58.410 58.200 0.095 0.000 0.926 193 S CB -0.320 62.914 63.200 0.055 0.000 0.769 193 S HN 0.328 nan 8.310 nan 0.000 0.533 194 D N 2.062 122.544 120.400 0.136 0.000 2.359 194 D HA 0.091 4.731 4.640 0.001 0.000 0.250 194 D C 0.730 177.056 176.300 0.044 0.000 1.264 194 D CA -0.044 53.996 54.000 0.067 0.000 0.911 194 D CB 0.470 41.283 40.800 0.022 0.000 1.056 194 D HN -0.145 nan 8.370 nan 0.000 0.499 195 K N 1.689 122.104 120.400 0.025 0.000 2.432 195 K HA -0.042 4.278 4.320 0.001 0.000 0.196 195 K C 1.803 178.375 176.600 -0.046 0.000 1.038 195 K CA 0.530 56.825 56.287 0.013 0.000 0.986 195 K CB -0.392 32.114 32.500 0.009 0.000 0.782 195 K HN 0.564 nan 8.250 nan 0.000 0.485 196 T N -1.603 112.901 114.554 -0.082 0.000 2.951 196 T HA 0.009 4.359 4.350 0.001 0.000 0.268 196 T C 1.921 176.509 174.700 -0.186 0.000 1.073 196 T CA 0.682 62.718 62.100 -0.106 0.000 1.134 196 T CB -0.071 68.741 68.868 -0.093 0.000 0.884 196 T HN 0.083 nan 8.240 nan 0.000 0.479 197 L N -1.707 119.305 121.223 -0.351 0.000 2.357 197 L HA 0.309 4.649 4.340 0.001 0.000 0.211 197 L C 0.441 176.877 176.870 -0.724 0.000 1.075 197 L CA 0.292 54.725 54.840 -0.679 0.000 0.830 197 L CB 0.264 41.625 42.059 -1.163 0.000 0.996 197 L HN 0.212 nan 8.230 nan 0.000 0.467 198 Y N -0.623 119.684 120.300 0.011 0.000 2.516 198 Y HA 0.236 4.787 4.550 0.001 0.000 0.341 198 Y C 1.284 177.243 175.900 0.097 0.000 0.912 198 Y CA -1.102 57.027 58.100 0.047 0.000 1.167 198 Y CB -0.088 38.352 38.460 -0.033 0.000 1.195 198 Y HN -0.071 nan 8.280 nan 0.000 0.610 199 K N -0.043 120.449 120.400 0.153 0.000 2.074 199 K HA -0.212 4.108 4.320 0.001 0.000 0.209 199 K C 0.290 176.867 176.600 -0.038 0.000 1.048 199 K CA 1.928 58.238 56.287 0.037 0.000 0.926 199 K CB -0.056 32.445 32.500 0.001 0.000 0.713 199 K HN 0.489 nan 8.250 nan 0.000 0.444 200 Y N -0.749 119.622 120.300 0.119 0.000 2.532 200 Y HA 0.158 4.708 4.550 0.001 0.000 0.283 200 Y C -0.170 175.793 175.900 0.104 0.000 1.181 200 Y CA -0.477 57.673 58.100 0.083 0.000 1.256 200 Y CB 0.137 38.640 38.460 0.071 0.000 1.112 200 Y HN -0.017 nan 8.280 nan 0.000 0.521 201 F N 2.300 122.300 119.950 0.083 0.000 2.421 201 F HA 0.650 5.177 4.527 0.000 0.000 0.337 201 F C -0.576 175.202 175.800 -0.036 0.000 1.105 201 F CA -1.374 56.640 58.000 0.025 0.000 1.049 201 F CB 0.670 39.684 39.000 0.024 0.000 1.139 201 F HN -0.118 nan 8.300 nan 0.000 0.479 202 L N 3.768 124.513 121.223 -0.797 0.000 2.502 202 L HA 0.806 5.146 4.340 0.001 0.000 0.253 202 L C -1.675 174.736 176.870 -0.766 0.000 1.070 202 L CA -1.389 53.107 54.840 -0.573 0.000 0.871 202 L CB 2.456 44.206 42.059 -0.514 0.000 1.487 202 L HN 0.751 nan 8.230 nan 0.000 0.408 203 R N -0.435 119.928 120.500 -0.229 0.000 2.692 203 R HA 0.602 4.942 4.340 0.001 0.000 0.269 203 R C -0.488 175.925 176.300 0.188 0.000 1.030 203 R CA -0.445 55.600 56.100 -0.092 0.000 0.882 203 R CB 1.759 32.001 30.300 -0.096 0.000 1.250 203 R HN 0.588 nan 8.270 nan 0.000 0.465 204 V N -1.899 118.101 119.914 0.144 0.000 3.578 204 V HA 0.278 4.399 4.120 0.001 0.000 0.290 204 V C 0.369 176.470 176.094 0.012 0.000 1.376 204 V CA -0.145 62.230 62.300 0.126 0.000 1.083 204 V CB 0.791 32.777 31.823 0.271 0.000 0.911 204 V HN 0.380 nan 8.190 nan 0.000 0.433 205 V N 3.323 123.124 119.914 -0.188 0.000 2.532 205 V HA 0.586 4.706 4.120 0.001 0.000 0.295 205 V C -2.284 173.680 176.094 -0.218 0.000 1.041 205 V CA -2.300 59.705 62.300 -0.491 0.000 0.926 205 V CB 2.262 33.650 31.823 -0.725 0.000 0.992 205 V HN 0.298 nan 8.190 nan 0.000 0.457 206 P HA 0.083 nan 4.420 nan 0.000 0.268 206 P C -0.260 177.053 177.300 0.023 0.000 1.205 206 P CA 0.261 63.329 63.100 -0.054 0.000 0.771 206 P CB 0.823 32.500 31.700 -0.038 0.000 0.858 207 S N 1.791 117.519 115.700 0.046 0.000 2.563 207 S HA -0.028 4.442 4.470 0.001 0.000 0.284 207 S C 1.057 175.719 174.600 0.102 0.000 1.331 207 S CA -0.118 58.118 58.200 0.060 0.000 1.047 207 S CB -0.265 62.959 63.200 0.040 0.000 0.859 207 S HN 0.319 nan 8.310 nan 0.000 0.514 208 D N 2.581 123.038 120.400 0.095 0.000 2.350 208 D HA -0.049 4.591 4.640 0.001 0.000 0.216 208 D C 1.746 178.086 176.300 0.067 0.000 0.968 208 D CA 0.888 54.971 54.000 0.138 0.000 0.894 208 D CB -0.384 40.511 40.800 0.158 0.000 0.909 208 D HN 0.686 nan 8.370 nan 0.000 0.520 209 T N 0.203 114.758 114.554 0.002 0.000 2.833 209 T HA -0.081 4.269 4.350 0.001 0.000 0.269 209 T C 1.999 176.689 174.700 -0.017 0.000 1.054 209 T CA 0.601 62.681 62.100 -0.033 0.000 1.135 209 T CB -0.044 68.804 68.868 -0.033 0.000 0.869 209 T HN 0.158 nan 8.240 nan 0.000 0.466 210 L N 0.292 121.523 121.223 0.014 0.000 2.217 210 L HA -0.027 4.314 4.340 0.001 0.000 0.211 210 L C 2.886 179.548 176.870 -0.347 0.000 1.107 210 L CA 0.963 55.762 54.840 -0.068 0.000 0.783 210 L CB -0.540 41.595 42.059 0.126 0.000 0.919 210 L HN 0.340 nan 8.230 nan 0.000 0.442 211 Q N 0.201 119.817 119.800 -0.306 0.000 2.061 211 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 211 Q C 2.492 178.369 176.000 -0.204 0.000 0.984 211 Q CA 1.858 57.352 55.803 -0.515 0.000 0.846 211 Q CB -0.251 28.317 28.738 -0.282 0.000 0.902 211 Q HN 0.570 nan 8.270 nan 0.000 0.421 212 A N 1.219 124.102 122.820 0.106 0.000 1.908 212 A HA -0.256 4.064 4.320 0.001 0.000 0.218 212 A C 2.049 179.687 177.584 0.090 0.000 1.181 212 A CA 1.820 54.000 52.037 0.238 0.000 0.627 212 A CB -0.512 18.586 19.000 0.163 0.000 0.818 212 A HN 0.189 nan 8.150 nan 0.000 0.445 213 R N 0.169 120.619 120.500 -0.082 0.000 2.083 213 R HA -0.059 4.281 4.340 0.001 0.000 0.237 213 R C 2.166 178.343 176.300 -0.205 0.000 1.137 213 R CA 2.120 58.158 56.100 -0.102 0.000 0.951 213 R CB -0.895 29.370 30.300 -0.058 0.000 0.851 213 R HN 0.387 nan 8.270 nan 0.000 0.434 214 A N 0.253 122.688 122.820 -0.643 0.000 1.902 214 A HA -0.149 4.172 4.320 0.001 0.000 0.217 214 A C 2.289 179.747 177.584 -0.210 0.000 1.181 214 A CA 1.838 53.384 52.037 -0.818 0.000 0.623 214 A CB -0.507 17.774 19.000 -1.198 0.000 0.818 214 A HN 0.438 nan 8.150 nan 0.000 0.443 215 M N -1.293 118.239 119.600 -0.114 0.000 2.117 215 M HA -0.136 4.345 4.480 0.001 0.000 0.262 215 M C 2.159 178.637 176.300 0.296 0.000 1.065 215 M CA 1.458 56.809 55.300 0.084 0.000 1.114 215 M CB -0.429 32.210 32.600 0.066 0.000 1.361 215 M HN 0.437 nan 8.290 nan 0.000 0.408 216 L N 0.719 122.138 121.223 0.327 0.000 2.083 216 L HA -0.189 4.152 4.340 0.001 0.000 0.209 216 L C 1.630 178.610 176.870 0.183 0.000 1.083 216 L CA 1.988 56.968 54.840 0.232 0.000 0.752 216 L CB -0.746 41.260 42.059 -0.088 0.000 0.899 216 L HN 0.192 nan 8.230 nan 0.000 0.433 217 D N -0.530 119.975 120.400 0.175 0.000 2.178 217 D HA -0.141 4.500 4.640 0.001 0.000 0.202 217 D C 2.328 178.746 176.300 0.197 0.000 0.974 217 D CA 1.461 55.582 54.000 0.203 0.000 0.841 217 D CB -0.046 40.959 40.800 0.341 0.000 0.953 217 D HN 0.417 nan 8.370 nan 0.000 0.478 218 I N 0.245 120.953 120.570 0.229 0.000 2.202 218 I HA -0.222 3.948 4.170 0.001 0.000 0.242 218 I C 2.402 178.738 176.117 0.365 0.000 1.091 218 I CA 0.563 62.032 61.300 0.282 0.000 1.368 218 I CB -0.179 37.986 38.000 0.275 0.000 1.058 218 I HN -0.123 nan 8.210 nan 0.000 0.410 219 V N 1.043 121.206 119.914 0.415 0.000 2.332 219 V HA -0.324 3.796 4.120 0.001 0.000 0.248 219 V C 2.374 178.665 176.094 0.328 0.000 1.055 219 V CA 1.998 64.638 62.300 0.567 0.000 1.038 219 V CB -0.697 31.450 31.823 0.540 0.000 0.651 219 V HN 0.411 nan 8.190 nan 0.000 0.450 220 K N -0.359 120.152 120.400 0.186 0.000 2.155 220 K HA -0.138 4.182 4.320 0.001 0.000 0.203 220 K C 2.297 178.864 176.600 -0.055 0.000 1.052 220 K CA 0.866 57.195 56.287 0.070 0.000 0.948 220 K CB -0.188 32.346 32.500 0.057 0.000 0.728 220 K HN 0.170 nan 8.250 nan 0.000 0.448 221 R N 0.588 121.026 120.500 -0.103 0.000 2.127 221 R HA -0.138 4.203 4.340 0.001 0.000 0.238 221 R C 0.740 176.656 176.300 -0.642 0.000 1.134 221 R CA 1.605 57.502 56.100 -0.338 0.000 0.975 221 R CB -0.316 29.758 30.300 -0.376 0.000 0.865 221 R HN 0.272 nan 8.270 nan 0.000 0.447 222 Y N 0.458 120.502 120.300 -0.427 0.000 2.571 222 Y HA 0.286 4.837 4.550 0.001 0.000 0.275 222 Y C 0.241 175.711 175.900 -0.717 0.000 1.179 222 Y CA -0.233 57.408 58.100 -0.765 0.000 1.242 222 Y CB 0.204 37.736 38.460 -1.546 0.000 1.126 222 Y HN 0.100 nan 8.280 nan 0.000 0.524 223 N N -1.795 116.743 118.700 -0.270 0.000 2.753 223 N HA -0.215 4.525 4.740 0.001 0.000 0.251 223 N C -0.882 174.652 175.510 0.041 0.000 1.097 223 N CA 0.808 53.800 53.050 -0.097 0.000 0.786 223 N CB -1.226 37.212 38.487 -0.081 0.000 1.137 223 N HN 0.377 nan 8.380 nan 0.000 0.566 224 W N 1.124 122.515 121.300 0.152 0.000 2.223 224 W HA 0.114 4.774 4.660 0.001 0.000 0.334 224 W C 1.963 178.561 176.519 0.131 0.000 1.334 224 W CA 0.754 58.191 57.345 0.152 0.000 1.246 224 W CB -0.145 29.417 29.460 0.169 0.000 1.184 224 W HN 0.128 nan 8.180 nan 0.000 0.563 225 T N -0.656 114.127 114.554 0.381 0.000 2.971 225 T HA 0.166 4.516 4.350 0.001 0.000 0.252 225 T C -0.232 174.558 174.700 0.150 0.000 1.022 225 T CA 0.380 62.623 62.100 0.238 0.000 0.980 225 T CB 0.019 69.031 68.868 0.240 0.000 1.044 225 T HN 0.190 nan 8.240 nan 0.000 0.501 226 Y N 1.472 121.874 120.300 0.170 0.000 2.442 226 Y HA 0.614 5.165 4.550 0.001 0.000 0.344 226 Y C -0.582 175.383 175.900 0.108 0.000 0.976 226 Y CA -1.197 56.978 58.100 0.125 0.000 1.040 226 Y CB 2.539 41.056 38.460 0.094 0.000 1.228 226 Y HN 0.204 nan 8.280 nan 0.000 0.451 227 V N -0.897 119.153 119.914 0.226 0.000 3.078 227 V HA 0.725 4.846 4.120 0.001 0.000 0.311 227 V C -0.538 175.642 176.094 0.143 0.000 1.138 227 V CA -0.792 61.596 62.300 0.147 0.000 1.007 227 V CB 1.799 33.703 31.823 0.134 0.000 1.045 227 V HN 0.646 nan 8.190 nan 0.000 0.432 228 S N 1.053 116.809 115.700 0.093 0.000 2.672 228 S HA 0.898 5.369 4.470 0.001 0.000 0.276 228 S C -0.011 174.579 174.600 -0.016 0.000 1.207 228 S CA 0.047 58.287 58.200 0.066 0.000 1.002 228 S CB 1.445 64.701 63.200 0.092 0.000 0.998 228 S HN 1.692 nan 8.310 nan 0.000 0.542 229 A N 1.761 124.547 122.820 -0.057 0.000 2.375 229 A HA 0.697 5.017 4.320 0.001 0.000 0.295 229 A C -1.271 176.245 177.584 -0.113 0.000 1.066 229 A CA -0.524 51.458 52.037 -0.090 0.000 0.722 229 A CB 0.961 19.939 19.000 -0.036 0.000 1.206 229 A HN 0.556 nan 8.150 nan 0.000 0.435 230 V N 3.552 123.411 119.914 -0.092 0.000 2.540 230 V HA 0.683 4.803 4.120 0.001 0.000 0.302 230 V C -0.470 175.629 176.094 0.008 0.000 1.035 230 V CA -0.475 61.768 62.300 -0.095 0.000 0.873 230 V CB 1.700 33.466 31.823 -0.095 0.000 0.992 230 V HN 1.197 nan 8.190 nan 0.000 0.428 231 H N 0.261 119.293 119.070 -0.063 0.000 2.928 231 H HA 0.712 5.268 4.556 0.001 0.000 0.371 231 H C -0.583 174.725 175.328 -0.034 0.000 1.186 231 H CA -0.707 55.330 56.048 -0.018 0.000 1.134 231 H CB 1.498 31.238 29.762 -0.037 0.000 1.824 231 H HN 0.440 nan 8.280 nan 0.000 0.554 232 T N 2.634 117.292 114.554 0.173 0.000 2.884 232 T HA 0.092 4.442 4.350 0.001 0.000 0.298 232 T C 0.094 174.855 174.700 0.101 0.000 0.998 232 T CA -0.638 61.510 62.100 0.081 0.000 1.124 232 T CB 0.488 69.459 68.868 0.173 0.000 0.931 232 T HN 0.524 nan 8.240 nan 0.000 0.531 233 E N 1.348 121.422 120.200 -0.209 0.000 2.418 233 E HA 0.397 4.748 4.350 0.001 0.000 0.261 233 E C 0.849 177.375 176.600 -0.125 0.000 1.070 233 E CA 0.428 56.640 56.400 -0.313 0.000 0.931 233 E CB 0.534 29.613 29.700 -1.035 0.000 0.954 233 E HN 0.970 nan 8.360 nan 0.000 0.439 234 G N 1.872 110.646 108.800 -0.044 0.000 2.592 234 G HA2 -0.250 3.710 3.960 0.001 0.000 0.684 234 G HA3 -0.250 3.710 3.960 0.001 0.000 0.684 234 G C 0.490 175.411 174.900 0.036 0.000 1.291 234 G CA -0.048 45.076 45.100 0.040 0.000 0.891 234 G HN 0.607 nan 8.290 nan 0.000 0.544 235 N N -0.951 117.778 118.700 0.048 0.000 2.058 235 N HA -0.172 4.568 4.740 0.001 0.000 0.191 235 N C 2.028 177.550 175.510 0.019 0.000 1.037 235 N CA 2.397 55.455 53.050 0.013 0.000 0.848 235 N CB -0.167 38.330 38.487 0.017 0.000 1.021 235 N HN 0.680 nan 8.380 nan 0.000 0.422 236 Y N 1.103 121.398 120.300 -0.008 0.000 2.070 236 Y HA -0.126 4.424 4.550 0.001 0.000 0.280 236 Y C 2.420 178.323 175.900 0.006 0.000 1.148 236 Y CA 2.412 60.532 58.100 0.033 0.000 1.125 236 Y CB -0.916 37.610 38.460 0.110 0.000 0.975 236 Y HN 0.061 nan 8.280 nan 0.000 0.492 237 G N -0.625 108.231 108.800 0.092 0.000 2.414 237 G HA2 -0.270 3.690 3.960 0.001 0.000 0.215 237 G HA3 -0.270 3.690 3.960 0.001 0.000 0.215 237 G C 1.557 176.220 174.900 -0.395 0.000 1.188 237 G CA 0.827 45.932 45.100 0.009 0.000 0.783 237 G HN 0.523 nan 8.290 nan 0.000 0.537 238 E N 0.718 120.694 120.200 -0.375 0.000 2.051 238 E HA -0.164 4.187 4.350 0.001 0.000 0.192 238 E C 2.811 179.093 176.600 -0.530 0.000 0.991 238 E CA 1.549 57.571 56.400 -0.629 0.000 0.799 238 E CB -0.099 29.431 29.700 -0.282 0.000 0.748 238 E HN 0.532 nan 8.360 nan 0.000 0.449 239 S N -0.508 114.947 115.700 -0.409 0.000 2.383 239 S HA -0.049 4.422 4.470 0.001 0.000 0.227 239 S C 2.162 176.413 174.600 -0.580 0.000 1.026 239 S CA 0.923 58.893 58.200 -0.382 0.000 0.981 239 S CB -0.567 62.479 63.200 -0.257 0.000 0.818 239 S HN 0.358 nan 8.310 nan 0.000 0.472 240 G N 1.455 109.666 108.800 -0.982 0.000 2.418 240 G HA2 -0.163 3.797 3.960 0.001 0.000 0.217 240 G HA3 -0.163 3.797 3.960 0.001 0.000 0.217 240 G C 1.415 175.581 174.900 -1.223 0.000 1.158 240 G CA 1.253 45.240 45.100 -1.854 0.000 0.771 240 G HN 0.494 nan 8.290 nan 0.000 0.545 241 M N 0.917 120.010 119.600 -0.846 0.000 2.200 241 M HA 0.091 4.572 4.480 0.001 0.000 0.265 241 M C 1.758 177.916 176.300 -0.236 0.000 1.066 241 M CA 1.189 56.258 55.300 -0.384 0.000 1.127 241 M CB -0.331 32.060 32.600 -0.349 0.000 1.379 241 M HN 0.051 nan 8.290 nan 0.000 0.420 242 D N 0.352 120.561 120.400 -0.319 0.000 2.123 242 D HA -0.138 4.502 4.640 0.001 0.000 0.196 242 D C 1.975 178.187 176.300 -0.147 0.000 0.992 242 D CA 1.848 55.728 54.000 -0.198 0.000 0.833 242 D CB -0.468 40.211 40.800 -0.202 0.000 0.954 242 D HN 0.478 nan 8.370 nan 0.000 0.455 243 A N 0.330 123.034 122.820 -0.194 0.000 1.877 243 A HA -0.181 4.139 4.320 0.001 0.000 0.216 243 A C 2.174 179.717 177.584 -0.067 0.000 1.186 243 A CA 1.195 53.150 52.037 -0.136 0.000 0.620 243 A CB -1.087 17.812 19.000 -0.168 0.000 0.822 243 A HN 0.263 nan 8.150 nan 0.000 0.443 244 F N 0.687 120.539 119.950 -0.163 0.000 2.069 244 F HA -0.188 4.339 4.527 0.001 0.000 0.298 244 F C 2.220 177.983 175.800 -0.062 0.000 1.113 244 F CA 2.323 60.275 58.000 -0.079 0.000 1.214 244 F CB -0.157 38.824 39.000 -0.032 0.000 0.978 244 F HN 0.121 nan 8.300 nan 0.000 0.474 245 K N -0.026 120.436 120.400 0.103 0.000 2.097 245 K HA -0.244 4.077 4.320 0.001 0.000 0.206 245 K C 2.151 178.694 176.600 -0.094 0.000 1.049 245 K CA 1.710 58.008 56.287 0.017 0.000 0.933 245 K CB -0.365 32.162 32.500 0.046 0.000 0.717 245 K HN 0.442 nan 8.250 nan 0.000 0.442 246 E N 1.150 121.293 120.200 -0.095 0.000 2.077 246 E HA -0.184 4.167 4.350 0.001 0.000 0.193 246 E C 1.969 178.497 176.600 -0.120 0.000 0.989 246 E CA 0.851 57.195 56.400 -0.093 0.000 0.800 246 E CB 0.045 29.696 29.700 -0.080 0.000 0.746 246 E HN 0.228 nan 8.360 nan 0.000 0.452 247 L N 0.432 121.553 121.223 -0.171 0.000 2.017 247 L HA -0.145 4.196 4.340 0.001 0.000 0.208 247 L C 2.761 179.489 176.870 -0.237 0.000 1.073 247 L CA 1.049 55.773 54.840 -0.194 0.000 0.745 247 L CB -0.575 41.347 42.059 -0.229 0.000 0.894 247 L HN 0.209 nan 8.230 nan 0.000 0.432 248 A N 0.236 122.840 122.820 -0.360 0.000 1.940 248 A HA -0.188 4.133 4.320 0.001 0.000 0.219 248 A C 2.390 179.877 177.584 -0.162 0.000 1.176 248 A CA 1.796 53.648 52.037 -0.308 0.000 0.631 248 A CB -0.667 18.126 19.000 -0.344 0.000 0.814 248 A HN 0.417 nan 8.150 nan 0.000 0.446 249 A N -1.447 121.297 122.820 -0.128 0.000 2.209 249 A HA 0.008 4.328 4.320 0.001 0.000 0.212 249 A C 1.865 179.406 177.584 -0.070 0.000 1.158 249 A CA 1.220 53.207 52.037 -0.083 0.000 0.742 249 A CB -0.294 18.667 19.000 -0.064 0.000 0.790 249 A HN 0.670 nan 8.150 nan 0.000 0.472 250 Q N -1.140 118.612 119.800 -0.080 0.000 2.378 250 Q HA 0.093 4.433 4.340 0.001 0.000 0.216 250 Q C 0.248 176.216 176.000 -0.053 0.000 0.892 250 Q CA 0.496 56.264 55.803 -0.059 0.000 0.931 250 Q CB 0.482 29.186 28.738 -0.056 0.000 1.086 250 Q HN 0.732 nan 8.270 nan 0.000 0.528 251 E N -1.059 119.100 120.200 -0.068 0.000 2.968 251 E HA 0.202 4.553 4.350 0.001 0.000 0.202 251 E C 0.137 176.707 176.600 -0.049 0.000 0.979 251 E CA 0.161 56.528 56.400 -0.054 0.000 1.192 251 E CB 1.471 31.137 29.700 -0.058 0.000 1.059 251 E HN 0.336 nan 8.360 nan 0.000 0.470 252 G N 1.702 110.470 108.800 -0.054 0.000 2.159 252 G HA2 -0.288 3.672 3.960 0.001 0.000 0.256 252 G HA3 -0.288 3.672 3.960 0.001 0.000 0.256 252 G C -0.014 174.847 174.900 -0.065 0.000 0.977 252 G CA 0.338 45.409 45.100 -0.048 0.000 0.652 252 G HN 0.253 nan 8.290 nan 0.000 0.531 253 L N 1.953 123.128 121.223 -0.079 0.000 2.292 253 L HA 0.782 5.122 4.340 0.001 0.000 0.284 253 L C 0.323 177.102 176.870 -0.152 0.000 1.065 253 L CA -0.348 54.440 54.840 -0.085 0.000 0.806 253 L CB 1.582 43.618 42.059 -0.037 0.000 1.175 253 L HN 0.081 nan 8.230 nan 0.000 0.431 254 S N 5.559 121.079 115.700 -0.301 0.000 2.541 254 S HA 0.601 5.072 4.470 0.001 0.000 0.283 254 S C -0.364 174.098 174.600 -0.229 0.000 1.196 254 S CA -0.574 57.371 58.200 -0.426 0.000 1.062 254 S CB 1.119 63.665 63.200 -1.089 0.000 1.009 254 S HN 0.417 nan 8.310 nan 0.000 0.502 255 I N 3.004 123.535 120.570 -0.065 0.000 2.304 255 I HA 0.304 4.474 4.170 0.001 0.000 0.291 255 I C 1.052 177.258 176.117 0.149 0.000 1.018 255 I CA -0.459 60.883 61.300 0.071 0.000 1.260 255 I CB 0.195 38.239 38.000 0.073 0.000 1.390 255 I HN 0.751 nan 8.210 nan 0.000 0.475 256 A N 7.171 130.139 122.820 0.247 0.000 2.099 256 A HA -0.041 4.279 4.320 0.001 0.000 0.206 256 A C 0.934 178.646 177.584 0.214 0.000 1.464 256 A CA 0.655 52.864 52.037 0.287 0.000 0.603 256 A CB -0.436 18.738 19.000 0.290 0.000 1.056 256 A HN 0.770 nan 8.150 nan 0.000 0.492 257 H N 0.397 119.523 119.070 0.093 0.000 2.473 257 H HA 0.511 5.067 4.556 0.001 0.000 0.327 257 H C -1.097 174.249 175.328 0.031 0.000 1.105 257 H CA 0.174 56.253 56.048 0.050 0.000 1.280 257 H CB 0.943 30.724 29.762 0.032 0.000 1.450 257 H HN 0.402 nan 8.280 nan 0.000 0.492 258 S N 4.224 119.604 115.700 -0.533 0.000 2.473 258 S HA 0.318 4.788 4.470 0.001 0.000 0.307 258 S C -1.251 172.982 174.600 -0.612 0.000 1.094 258 S CA -0.713 57.233 58.200 -0.423 0.000 1.070 258 S CB 1.316 64.427 63.200 -0.149 0.000 1.019 258 S HN 0.807 nan 8.310 nan 0.000 0.480 259 D N 1.607 121.740 120.400 -0.446 0.000 2.661 259 D HA 0.454 5.095 4.640 0.001 0.000 0.228 259 D C -1.490 174.580 176.300 -0.384 0.000 1.210 259 D CA -0.408 53.380 54.000 -0.353 0.000 0.826 259 D CB 1.960 42.599 40.800 -0.268 0.000 1.542 259 D HN 0.709 nan 8.370 nan 0.000 0.447 260 K N 0.997 121.146 120.400 -0.419 0.000 2.375 260 K HA 0.822 5.143 4.320 0.001 0.000 0.249 260 K C -1.099 175.257 176.600 -0.407 0.000 0.942 260 K CA -0.889 55.019 56.287 -0.633 0.000 0.806 260 K CB 2.579 34.604 32.500 -0.791 0.000 1.227 260 K HN 0.410 nan 8.250 nan 0.000 0.430 261 I N 1.709 122.043 120.570 -0.394 0.000 2.827 261 I HA 0.343 4.513 4.170 0.001 0.000 0.298 261 I C -1.400 174.556 176.117 -0.269 0.000 1.235 261 I CA -1.110 59.997 61.300 -0.321 0.000 1.021 261 I CB 1.865 39.625 38.000 -0.400 0.000 1.259 261 I HN 0.691 nan 8.210 nan 0.000 0.427 262 Y N 3.824 124.043 120.300 -0.135 0.000 2.326 262 Y HA 0.111 4.661 4.550 0.001 0.000 0.333 262 Y C 1.649 177.552 175.900 0.004 0.000 1.240 262 Y CA 0.368 58.440 58.100 -0.047 0.000 1.365 262 Y CB 1.367 39.804 38.460 -0.038 0.000 1.289 262 Y HN 0.550 nan 8.280 nan 0.000 0.548 263 S N 1.103 116.958 115.700 0.258 0.000 2.368 263 S HA -0.199 4.271 4.470 0.001 0.000 0.225 263 S C 1.652 176.395 174.600 0.237 0.000 1.030 263 S CA 1.579 59.923 58.200 0.240 0.000 0.999 263 S CB -0.325 62.973 63.200 0.163 0.000 0.844 263 S HN 0.833 nan 8.310 nan 0.000 0.459 264 N N 2.131 120.937 118.700 0.177 0.000 2.515 264 N HA 0.151 4.891 4.740 0.001 0.000 0.185 264 N C 0.322 175.892 175.510 0.101 0.000 1.109 264 N CA 0.519 53.635 53.050 0.109 0.000 0.903 264 N CB -0.590 37.917 38.487 0.035 0.000 0.969 264 N HN 0.271 nan 8.380 nan 0.000 0.450 265 A N 0.198 123.084 122.820 0.111 0.000 2.520 265 A HA 0.509 4.829 4.320 0.001 0.000 0.235 265 A C 1.009 178.659 177.584 0.110 0.000 1.065 265 A CA 0.111 52.166 52.037 0.029 0.000 0.764 265 A CB -0.433 18.495 19.000 -0.120 0.000 1.002 265 A HN 0.419 nan 8.150 nan 0.000 0.502 266 G N -0.116 108.720 108.800 0.060 0.000 2.621 266 G HA2 0.364 4.325 3.960 0.001 0.000 0.271 266 G HA3 0.364 4.325 3.960 0.001 0.000 0.271 266 G C 0.476 175.493 174.900 0.195 0.000 1.236 266 G CA 0.051 45.216 45.100 0.108 0.000 0.958 266 G HN 0.816 nan 8.290 nan 0.000 0.512 267 E N 0.139 120.437 120.200 0.163 0.000 2.150 267 E HA -0.088 4.263 4.350 0.001 0.000 0.193 267 E C 2.887 179.562 176.600 0.125 0.000 0.985 267 E CA 1.286 57.790 56.400 0.173 0.000 0.814 267 E CB -0.089 29.660 29.700 0.082 0.000 0.752 267 E HN 0.538 nan 8.360 nan 0.000 0.466 268 K N 0.906 121.344 120.400 0.064 0.000 2.103 268 K HA -0.157 4.164 4.320 0.001 0.000 0.207 268 K C 2.103 178.703 176.600 -0.001 0.000 1.048 268 K CA 1.835 58.137 56.287 0.026 0.000 0.930 268 K CB -0.959 31.546 32.500 0.009 0.000 0.716 268 K HN 0.022 nan 8.250 nan 0.000 0.444 269 S N -0.173 115.503 115.700 -0.041 0.000 2.371 269 S HA 0.055 4.526 4.470 0.001 0.000 0.224 269 S C 1.917 176.393 174.600 -0.207 0.000 1.029 269 S CA 1.098 59.205 58.200 -0.154 0.000 0.978 269 S CB -0.359 62.687 63.200 -0.256 0.000 0.833 269 S HN 0.542 nan 8.310 nan 0.000 0.466 270 F N 2.129 122.054 119.950 -0.041 0.000 2.186 270 F HA -0.076 4.451 4.527 0.001 0.000 0.299 270 F C 2.264 178.028 175.800 -0.061 0.000 1.090 270 F CA 0.764 58.726 58.000 -0.063 0.000 1.307 270 F CB -0.340 38.610 39.000 -0.083 0.000 1.019 270 F HN 0.095 nan 8.300 nan 0.000 0.489 271 D N -0.003 120.468 120.400 0.119 0.000 2.104 271 D HA -0.192 4.448 4.640 0.001 0.000 0.194 271 D C 2.256 178.567 176.300 0.019 0.000 0.994 271 D CA 1.115 55.147 54.000 0.053 0.000 0.830 271 D CB -0.444 40.377 40.800 0.036 0.000 0.959 271 D HN 0.162 nan 8.370 nan 0.000 0.452 272 R N 0.060 120.558 120.500 -0.003 0.000 2.081 272 R HA -0.128 4.212 4.340 0.001 0.000 0.235 272 R C 2.311 178.593 176.300 -0.030 0.000 1.131 272 R CA 0.701 56.786 56.100 -0.025 0.000 0.960 272 R CB -0.366 29.911 30.300 -0.038 0.000 0.856 272 R HN 0.121 nan 8.270 nan 0.000 0.436 273 L N 0.938 122.143 121.223 -0.029 0.000 1.970 273 L HA -0.181 4.159 4.340 0.001 0.000 0.212 273 L C 2.098 178.963 176.870 -0.008 0.000 1.071 273 L CA 1.732 56.566 54.840 -0.010 0.000 0.751 273 L CB -0.807 41.232 42.059 -0.032 0.000 0.889 273 L HN 0.287 nan 8.230 nan 0.000 0.432 274 L N -0.260 120.963 121.223 -0.001 0.000 2.083 274 L HA -0.186 4.155 4.340 0.001 0.000 0.209 274 L C 2.723 179.599 176.870 0.010 0.000 1.083 274 L CA 1.897 56.728 54.840 -0.014 0.000 0.752 274 L CB -0.816 41.246 42.059 0.005 0.000 0.899 274 L HN 0.391 nan 8.230 nan 0.000 0.433 275 R N -0.254 120.244 120.500 -0.003 0.000 2.080 275 R HA -0.211 4.130 4.340 0.001 0.000 0.236 275 R C 2.359 178.626 176.300 -0.055 0.000 1.137 275 R CA 2.042 58.135 56.100 -0.013 0.000 0.943 275 R CB -0.192 30.096 30.300 -0.021 0.000 0.846 275 R HN 0.358 nan 8.270 nan 0.000 0.431 276 K N 0.234 120.561 120.400 -0.123 0.000 2.103 276 K HA -0.142 4.179 4.320 0.001 0.000 0.207 276 K C 2.141 178.538 176.600 -0.338 0.000 1.048 276 K CA 1.482 57.582 56.287 -0.312 0.000 0.930 276 K CB -0.125 32.095 32.500 -0.466 0.000 0.716 276 K HN 0.227 nan 8.250 nan 0.000 0.444 277 L N 0.265 121.414 121.223 -0.124 0.000 2.056 277 L HA -0.160 4.180 4.340 0.001 0.000 0.207 277 L C 2.391 179.390 176.870 0.215 0.000 1.078 277 L CA 1.242 56.107 54.840 0.041 0.000 0.749 277 L CB -0.308 41.698 42.059 -0.088 0.000 0.901 277 L HN 0.124 nan 8.230 nan 0.000 0.433 278 R N 0.019 120.654 120.500 0.224 0.000 2.148 278 R HA -0.150 4.190 4.340 0.001 0.000 0.227 278 R C 2.073 178.411 176.300 0.062 0.000 1.103 278 R CA 1.003 57.226 56.100 0.205 0.000 0.983 278 R CB -0.184 30.201 30.300 0.142 0.000 0.874 278 R HN 0.455 nan 8.270 nan 0.000 0.451 279 E N 0.095 120.303 120.200 0.013 0.000 2.153 279 E HA -0.126 4.225 4.350 0.001 0.000 0.194 279 E C 1.648 178.243 176.600 -0.008 0.000 0.988 279 E CA 0.713 57.102 56.400 -0.019 0.000 0.811 279 E CB 0.139 29.806 29.700 -0.055 0.000 0.746 279 E HN 0.076 nan 8.360 nan 0.000 0.466 280 R N 0.429 120.942 120.500 0.021 0.000 2.313 280 R HA 0.130 4.471 4.340 0.001 0.000 0.199 280 R C 0.497 176.815 176.300 0.029 0.000 0.958 280 R CA 0.107 56.231 56.100 0.039 0.000 1.047 280 R CB -0.362 29.996 30.300 0.097 0.000 0.955 280 R HN 0.189 nan 8.270 nan 0.000 0.481 281 L N 1.534 122.766 121.223 0.015 0.000 2.472 281 L HA 0.096 4.436 4.340 0.001 0.000 0.260 281 L C -0.935 175.901 176.870 -0.057 0.000 1.209 281 L CA -1.184 53.626 54.840 -0.050 0.000 0.817 281 L CB 0.199 42.184 42.059 -0.123 0.000 1.106 281 L HN -0.088 nan 8.230 nan 0.000 0.479 282 P HA 0.084 nan 4.420 nan 0.000 0.261 282 P C 0.723 177.982 177.300 -0.068 0.000 1.268 282 P CA 0.290 63.340 63.100 -0.083 0.000 0.833 282 P CB 0.216 31.874 31.700 -0.070 0.000 1.231 283 K N 0.306 120.664 120.400 -0.071 0.000 2.296 283 K HA 0.394 4.715 4.320 0.001 0.000 0.200 283 K C 1.496 178.076 176.600 -0.033 0.000 1.048 283 K CA 1.151 57.388 56.287 -0.083 0.000 0.966 283 K CB -0.784 31.600 32.500 -0.194 0.000 0.754 283 K HN 0.266 nan 8.250 nan 0.000 0.466 284 A N 0.897 123.717 122.820 0.000 0.000 3.047 284 A HA 0.453 4.773 4.320 0.001 0.000 0.337 284 A C 1.050 178.680 177.584 0.076 0.000 1.143 284 A CA -0.437 51.646 52.037 0.077 0.000 0.905 284 A CB 0.020 19.104 19.000 0.140 0.000 1.088 284 A HN 0.382 nan 8.150 nan 0.000 0.488 285 R N 0.412 120.897 120.500 -0.025 0.000 2.153 285 R HA 0.055 4.396 4.340 0.001 0.000 0.218 285 R C -0.114 176.177 176.300 -0.014 0.000 1.072 285 R CA 0.934 56.987 56.100 -0.078 0.000 0.990 285 R CB 0.134 30.343 30.300 -0.151 0.000 0.889 285 R HN 0.429 nan 8.270 nan 0.000 0.452 286 V N 2.084 121.891 119.914 -0.178 0.000 2.432 286 V HA 0.204 4.324 4.120 0.001 0.000 0.275 286 V C -0.211 175.830 176.094 -0.088 0.000 1.043 286 V CA -0.456 61.664 62.300 -0.300 0.000 0.925 286 V CB 1.650 33.041 31.823 -0.719 0.000 0.985 286 V HN -0.125 nan 8.190 nan 0.000 0.466 287 V N 5.754 125.624 119.914 -0.074 0.000 2.378 287 V HA 0.366 4.486 4.120 0.001 0.000 0.288 287 V C -0.073 175.956 176.094 -0.108 0.000 1.016 287 V CA -0.638 61.609 62.300 -0.089 0.000 0.840 287 V CB 1.787 33.510 31.823 -0.167 0.000 0.994 287 V HN 0.600 nan 8.190 nan 0.000 0.431 288 V N 4.221 124.044 119.914 -0.152 0.000 2.406 288 V HA 0.260 4.380 4.120 0.001 0.000 0.272 288 V C 0.001 175.980 176.094 -0.192 0.000 1.043 288 V CA -0.212 61.939 62.300 -0.249 0.000 0.915 288 V CB 1.132 32.614 31.823 -0.569 0.000 0.988 288 V HN 1.014 nan 8.190 nan 0.000 0.466 289 C N 5.787 125.018 119.300 -0.115 0.000 2.291 289 C HA 0.432 4.892 4.460 0.001 0.000 0.322 289 C C 0.028 175.006 174.990 -0.019 0.000 1.205 289 C CA -0.911 58.092 59.018 -0.026 0.000 1.495 289 C CB -0.436 27.330 27.740 0.044 0.000 2.127 289 C HN 0.806 nan 8.230 nan 0.000 0.452 290 F N 2.723 122.628 119.950 -0.075 0.000 2.384 290 F HA 0.428 4.955 4.527 0.001 0.000 0.359 290 F C 0.349 176.184 175.800 0.059 0.000 1.143 290 F CA 0.066 58.019 58.000 -0.078 0.000 1.216 290 F CB 0.032 38.906 39.000 -0.210 0.000 1.512 290 F HN 0.587 nan 8.300 nan 0.000 0.573 291 C N 3.158 122.606 119.300 0.247 0.000 2.698 291 C HA 0.333 4.793 4.460 0.001 0.000 0.309 291 C C -0.117 175.059 174.990 0.311 0.000 1.186 291 C CA -1.222 57.962 59.018 0.277 0.000 1.474 291 C CB 1.647 29.468 27.740 0.136 0.000 2.020 291 C HN 0.634 nan 8.230 nan 0.000 0.474 292 E N 1.022 121.369 120.200 0.246 0.000 2.404 292 E HA 0.193 4.544 4.350 0.001 0.000 0.261 292 E C 1.181 177.807 176.600 0.043 0.000 1.074 292 E CA 0.373 56.821 56.400 0.080 0.000 0.917 292 E CB 0.779 30.508 29.700 0.048 0.000 0.965 292 E HN 0.905 nan 8.360 nan 0.000 0.433 293 G N 2.555 111.358 108.800 0.005 0.000 2.529 293 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 293 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 293 G C 1.197 176.028 174.900 -0.114 0.000 1.177 293 G CA 0.782 45.851 45.100 -0.052 0.000 0.773 293 G HN 0.357 nan 8.290 nan 0.000 0.573 294 M N 0.984 120.549 119.600 -0.059 0.000 2.460 294 M HA 0.008 4.488 4.480 0.001 0.000 0.263 294 M C 2.482 178.739 176.300 -0.072 0.000 1.071 294 M CA 0.961 56.217 55.300 -0.073 0.000 1.096 294 M CB -1.328 31.263 32.600 -0.014 0.000 1.408 294 M HN 0.158 nan 8.290 nan 0.000 0.463 295 T N 0.453 115.009 114.554 0.004 0.000 2.812 295 T HA -0.027 4.324 4.350 0.001 0.000 0.264 295 T C 2.104 176.753 174.700 -0.085 0.000 1.042 295 T CA 0.980 63.141 62.100 0.102 0.000 1.140 295 T CB -0.100 68.850 68.868 0.137 0.000 0.870 295 T HN 0.141 nan 8.240 nan 0.000 0.445 296 V N 1.590 121.378 119.914 -0.210 0.000 2.295 296 V HA -0.182 3.938 4.120 0.001 0.000 0.246 296 V C 2.619 178.409 176.094 -0.507 0.000 1.049 296 V CA 1.777 63.825 62.300 -0.420 0.000 1.024 296 V CB -0.596 30.784 31.823 -0.739 0.000 0.648 296 V HN 0.346 nan 8.190 nan 0.000 0.447 297 R N 0.277 120.500 120.500 -0.462 0.000 2.083 297 R HA -0.163 4.177 4.340 0.001 0.000 0.237 297 R C 2.399 178.305 176.300 -0.655 0.000 1.137 297 R CA 1.869 57.686 56.100 -0.471 0.000 0.951 297 R CB -0.901 29.221 30.300 -0.297 0.000 0.851 297 R HN 0.542 nan 8.270 nan 0.000 0.434 298 G N 1.036 109.321 108.800 -0.857 0.000 2.507 298 G HA2 -0.294 3.666 3.960 0.001 0.000 0.221 298 G HA3 -0.294 3.666 3.960 0.001 0.000 0.221 298 G C 1.272 175.374 174.900 -1.330 0.000 1.119 298 G CA 0.912 44.958 45.100 -1.757 0.000 0.751 298 G HN 0.333 nan 8.290 nan 0.000 0.574 299 L N 0.082 120.879 121.223 -0.709 0.000 2.131 299 L HA 0.271 4.612 4.340 0.001 0.000 0.206 299 L C 2.671 179.303 176.870 -0.397 0.000 1.087 299 L CA 1.001 55.633 54.840 -0.347 0.000 0.767 299 L CB -0.226 41.702 42.059 -0.217 0.000 0.917 299 L HN 0.193 nan 8.230 nan 0.000 0.441 300 L N -0.826 120.080 121.223 -0.528 0.000 2.083 300 L HA -0.164 4.176 4.340 0.001 0.000 0.209 300 L C 2.642 179.015 176.870 -0.828 0.000 1.083 300 L CA 1.432 55.920 54.840 -0.585 0.000 0.752 300 L CB -0.883 40.806 42.059 -0.616 0.000 0.899 300 L HN 0.482 nan 8.230 nan 0.000 0.433 301 S N -0.037 115.060 115.700 -1.005 0.000 2.428 301 S HA -0.047 4.424 4.470 0.001 0.000 0.230 301 S C 2.099 176.495 174.600 -0.339 0.000 1.014 301 S CA 0.621 58.336 58.200 -0.809 0.000 0.957 301 S CB -0.182 62.667 63.200 -0.585 0.000 0.784 301 S HN 0.316 nan 8.310 nan 0.000 0.499 302 A N 1.638 124.280 122.820 -0.296 0.000 2.014 302 A HA 0.239 4.559 4.320 0.001 0.000 0.218 302 A C 2.261 179.794 177.584 -0.084 0.000 1.163 302 A CA 1.175 53.139 52.037 -0.121 0.000 0.652 302 A CB -0.670 18.305 19.000 -0.042 0.000 0.808 302 A HN 0.574 nan 8.150 nan 0.000 0.449 303 M N -1.421 118.104 119.600 -0.125 0.000 2.175 303 M HA -0.101 4.379 4.480 0.001 0.000 0.264 303 M C 2.349 178.638 176.300 -0.018 0.000 1.063 303 M CA 1.729 56.997 55.300 -0.054 0.000 1.119 303 M CB -0.172 32.392 32.600 -0.060 0.000 1.377 303 M HN 0.479 nan 8.290 nan 0.000 0.415 304 R N 0.375 120.863 120.500 -0.019 0.000 2.073 304 R HA -0.052 4.288 4.340 0.001 0.000 0.229 304 R C 2.070 178.392 176.300 0.036 0.000 1.120 304 R CA 1.309 57.442 56.100 0.055 0.000 0.967 304 R CB -0.017 30.391 30.300 0.179 0.000 0.862 304 R HN 0.236 nan 8.270 nan 0.000 0.436 305 R N -0.077 120.434 120.500 0.018 0.000 2.241 305 R HA -0.119 4.221 4.340 0.001 0.000 0.224 305 R C 1.637 177.945 176.300 0.013 0.000 1.101 305 R CA 0.810 56.920 56.100 0.016 0.000 0.995 305 R CB -0.099 30.205 30.300 0.007 0.000 0.870 305 R HN 0.226 nan 8.270 nan 0.000 0.463 306 L N -1.179 120.052 121.223 0.012 0.000 2.556 306 L HA 0.270 4.611 4.340 0.001 0.000 0.226 306 L C 0.970 177.850 176.870 0.017 0.000 1.089 306 L CA 0.945 55.794 54.840 0.015 0.000 0.864 306 L CB 0.669 42.740 42.059 0.020 0.000 1.067 306 L HN 0.317 nan 8.230 nan 0.000 0.477 307 G N 0.192 109.004 108.800 0.020 0.000 2.147 307 G HA2 -0.221 3.739 3.960 0.001 0.000 0.244 307 G HA3 -0.221 3.739 3.960 0.001 0.000 0.244 307 G C 0.238 175.150 174.900 0.020 0.000 1.005 307 G CA 0.346 45.458 45.100 0.020 0.000 0.713 307 G HN 0.554 nan 8.290 nan 0.000 0.515 308 V N -2.591 117.338 119.914 0.025 0.000 2.716 308 V HA 0.923 5.043 4.120 0.001 0.000 0.304 308 V C 0.337 176.452 176.094 0.035 0.000 1.053 308 V CA -1.081 61.236 62.300 0.028 0.000 0.984 308 V CB 2.159 34.008 31.823 0.042 0.000 1.021 308 V HN 0.705 nan 8.190 nan 0.000 0.467 309 V N 2.791 122.722 119.914 0.028 0.000 2.891 309 V HA 0.742 4.862 4.120 0.001 0.000 0.304 309 V C 0.785 176.894 176.094 0.025 0.000 1.171 309 V CA 0.231 62.551 62.300 0.034 0.000 0.943 309 V CB 1.410 33.251 31.823 0.030 0.000 1.037 309 V HN 1.683 nan 8.190 nan 0.000 0.427 310 G N 2.921 111.747 108.800 0.043 0.000 2.179 310 G HA2 -0.232 3.728 3.960 0.001 0.000 0.257 310 G HA3 -0.232 3.728 3.960 0.001 0.000 0.257 310 G C 0.436 175.322 174.900 -0.023 0.000 1.010 310 G CA 0.774 45.892 45.100 0.030 0.000 0.736 310 G HN 0.824 nan 8.290 nan 0.000 0.513 311 E N -1.494 118.666 120.200 -0.067 0.000 2.299 311 E HA 0.201 4.551 4.350 0.001 0.000 0.193 311 E C 0.303 176.603 176.600 -0.499 0.000 0.998 311 E CA 0.398 56.618 56.400 -0.301 0.000 0.851 311 E CB 0.237 29.683 29.700 -0.424 0.000 0.795 311 E HN 0.564 nan 8.360 nan 0.000 0.492 312 F N -0.043 119.887 119.950 -0.032 0.000 2.579 312 F HA 0.302 4.830 4.527 0.001 0.000 0.324 312 F C 0.105 175.867 175.800 -0.064 0.000 1.058 312 F CA -0.990 56.976 58.000 -0.057 0.000 0.944 312 F CB 1.953 40.925 39.000 -0.046 0.000 1.245 312 F HN -0.405 nan 8.300 nan 0.000 0.477 313 S N 2.724 118.470 115.700 0.076 0.000 2.448 313 S HA 0.570 5.040 4.470 0.001 0.000 0.320 313 S C -0.615 173.973 174.600 -0.020 0.000 1.071 313 S CA -0.619 57.566 58.200 -0.024 0.000 1.113 313 S CB 0.289 63.371 63.200 -0.197 0.000 0.972 313 S HN 0.350 nan 8.310 nan 0.000 0.465 314 L N 4.291 125.554 121.223 0.067 0.000 2.292 314 L HA 0.552 4.892 4.340 0.001 0.000 0.284 314 L C -0.465 176.440 176.870 0.059 0.000 1.065 314 L CA -0.375 54.528 54.840 0.105 0.000 0.806 314 L CB 0.704 42.931 42.059 0.281 0.000 1.175 314 L HN 0.512 nan 8.230 nan 0.000 0.431 315 I N 2.579 123.158 120.570 0.015 0.000 2.410 315 I HA 0.469 4.639 4.170 0.001 0.000 0.286 315 I C 0.357 176.451 176.117 -0.039 0.000 1.009 315 I CA -0.297 60.981 61.300 -0.036 0.000 1.111 315 I CB 1.826 39.814 38.000 -0.020 0.000 1.262 315 I HN 0.617 nan 8.210 nan 0.000 0.443 316 G N 3.573 112.319 108.800 -0.089 0.000 2.452 316 G HA2 0.561 4.522 3.960 0.001 0.000 0.324 316 G HA3 0.561 4.522 3.960 0.001 0.000 0.324 316 G C -0.165 174.629 174.900 -0.176 0.000 1.214 316 G CA -0.419 44.683 45.100 0.004 0.000 0.947 316 G HN 0.626 nan 8.290 nan 0.000 0.478 317 S N 0.318 115.861 115.700 -0.261 0.000 2.625 317 S HA 0.159 4.629 4.470 0.001 0.000 0.262 317 S C 1.218 175.710 174.600 -0.181 0.000 1.223 317 S CA 0.442 58.363 58.200 -0.464 0.000 0.993 317 S CB 1.052 63.571 63.200 -1.134 0.000 1.051 317 S HN 0.691 nan 8.310 nan 0.000 0.562 318 D N -0.681 119.641 120.400 -0.130 0.000 2.363 318 D HA 0.038 4.679 4.640 0.001 0.000 0.220 318 D C 1.725 178.057 176.300 0.053 0.000 0.994 318 D CA 0.870 54.868 54.000 -0.003 0.000 0.890 318 D CB -1.092 39.739 40.800 0.053 0.000 0.906 318 D HN 0.655 nan 8.370 nan 0.000 0.530 319 G N -0.093 108.767 108.800 0.100 0.000 2.450 319 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 319 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 319 G C 1.205 176.186 174.900 0.135 0.000 1.130 319 G CA 0.722 45.840 45.100 0.031 0.000 0.760 319 G HN 0.348 nan 8.290 nan 0.000 0.557 320 W N 0.796 122.065 121.300 -0.051 0.000 2.678 320 W HA 0.440 5.101 4.660 0.000 0.000 0.282 320 W C 1.853 178.317 176.519 -0.092 0.000 1.137 320 W CA 1.302 58.620 57.345 -0.046 0.000 1.515 320 W CB -0.579 28.866 29.460 -0.024 0.000 1.101 320 W HN 0.561 nan 8.180 nan 0.000 0.564 321 A N 1.582 124.388 122.820 -0.022 0.000 5.318 321 A HA -0.373 3.947 4.320 0.001 0.000 0.329 321 A C 0.651 177.949 177.584 -0.477 0.000 1.789 321 A CA 2.677 54.596 52.037 -0.197 0.000 0.711 321 A CB -2.135 16.817 19.000 -0.080 0.000 1.398 321 A HN 0.610 nan 8.150 nan 0.000 0.392 322 D N -0.057 120.038 120.400 -0.508 0.000 2.772 322 D HA 0.359 5.000 4.640 0.001 0.000 0.272 322 D C 0.138 176.066 176.300 -0.621 0.000 1.314 322 D CA -0.177 53.148 54.000 -1.124 0.000 0.835 322 D CB -0.415 39.977 40.800 -0.680 0.000 1.080 322 D HN 0.590 nan 8.370 nan 0.000 0.482 323 R N 0.781 121.172 120.500 -0.182 0.000 2.316 323 R HA 0.138 4.478 4.340 0.001 0.000 0.314 323 R C 0.226 176.686 176.300 0.267 0.000 1.069 323 R CA -0.373 55.774 56.100 0.077 0.000 0.959 323 R CB 0.885 31.254 30.300 0.115 0.000 0.987 323 R HN -0.037 nan 8.270 nan 0.000 0.446 324 D N 1.588 122.131 120.400 0.237 0.000 2.144 324 D HA -0.167 4.473 4.640 0.001 0.000 0.200 324 D C 1.891 178.286 176.300 0.159 0.000 0.978 324 D CA 1.576 55.725 54.000 0.250 0.000 0.833 324 D CB 0.068 40.974 40.800 0.177 0.000 0.961 324 D HN 0.613 nan 8.370 nan 0.000 0.470 325 E N 0.242 120.505 120.200 0.105 0.000 2.401 325 E HA -0.082 4.268 4.350 0.001 0.000 0.199 325 E C 2.108 178.731 176.600 0.038 0.000 1.023 325 E CA 0.544 56.978 56.400 0.057 0.000 0.859 325 E CB -1.039 28.680 29.700 0.033 0.000 0.780 325 E HN 0.252 nan 8.360 nan 0.000 0.523 326 V N 1.122 121.067 119.914 0.052 0.000 2.407 326 V HA -0.028 4.092 4.120 0.001 0.000 0.245 326 V C 2.643 178.706 176.094 -0.051 0.000 1.041 326 V CA 1.931 64.195 62.300 -0.061 0.000 1.040 326 V CB -0.494 31.233 31.823 -0.160 0.000 0.671 326 V HN 0.766 nan 8.190 nan 0.000 0.455 327 I N -0.221 120.393 120.570 0.072 0.000 3.968 327 I HA 0.250 4.421 4.170 0.001 0.000 0.328 327 I C 0.789 176.945 176.117 0.065 0.000 1.290 327 I CA -0.241 61.106 61.300 0.078 0.000 1.163 327 I CB -0.215 37.871 38.000 0.143 0.000 1.024 327 I HN 0.324 nan 8.210 nan 0.000 0.413 328 E N 2.388 122.620 120.200 0.053 0.000 2.417 328 E HA 0.384 4.735 4.350 0.001 0.000 0.261 328 E C 1.113 177.646 176.600 -0.111 0.000 1.000 328 E CA 0.538 56.932 56.400 -0.010 0.000 0.919 328 E CB 0.303 30.007 29.700 0.006 0.000 0.955 328 E HN 0.496 nan 8.360 nan 0.000 0.455 329 G N 2.783 111.461 108.800 -0.203 0.000 2.217 329 G HA2 -0.334 3.627 3.960 0.001 0.000 0.246 329 G HA3 -0.334 3.627 3.960 0.001 0.000 0.246 329 G C 0.236 174.746 174.900 -0.650 0.000 0.990 329 G CA 0.330 45.168 45.100 -0.437 0.000 0.627 329 G HN 0.569 nan 8.290 nan 0.000 0.522 330 Y N 0.362 120.585 120.300 -0.129 0.000 2.715 330 Y HA 0.446 4.996 4.550 0.001 0.000 0.255 330 Y C 1.680 177.451 175.900 -0.216 0.000 1.139 330 Y CA 0.070 58.077 58.100 -0.154 0.000 1.151 330 Y CB 0.639 39.009 38.460 -0.150 0.000 1.201 330 Y HN 0.215 nan 8.280 nan 0.000 0.556 331 E N 0.410 120.475 120.200 -0.225 0.000 2.130 331 E HA -0.198 4.152 4.350 0.001 0.000 0.196 331 E C 2.203 178.399 176.600 -0.674 0.000 0.998 331 E CA 1.472 57.550 56.400 -0.535 0.000 0.806 331 E CB -0.101 29.088 29.700 -0.851 0.000 0.738 331 E HN 0.371 nan 8.360 nan 0.000 0.459 332 V N 1.336 120.991 119.914 -0.432 0.000 2.488 332 V HA -0.167 3.953 4.120 0.001 0.000 0.246 332 V C 1.832 177.882 176.094 -0.073 0.000 1.046 332 V CA 1.835 63.998 62.300 -0.228 0.000 1.053 332 V CB -0.236 31.544 31.823 -0.071 0.000 0.679 332 V HN 0.339 nan 8.190 nan 0.000 0.458 333 E N 0.654 120.835 120.200 -0.031 0.000 2.358 333 E HA -0.014 4.336 4.350 0.001 0.000 0.195 333 E C 1.889 178.497 176.600 0.014 0.000 1.010 333 E CA 1.214 57.620 56.400 0.009 0.000 0.856 333 E CB -0.341 29.367 29.700 0.013 0.000 0.795 333 E HN 0.609 nan 8.360 nan 0.000 0.504 334 A N 1.316 124.136 122.820 -0.000 0.000 2.132 334 A HA -0.009 4.311 4.320 0.001 0.000 0.213 334 A C 1.132 178.794 177.584 0.130 0.000 1.154 334 A CA -0.005 52.083 52.037 0.086 0.000 0.753 334 A CB -0.529 18.526 19.000 0.091 0.000 0.826 334 A HN 0.201 nan 8.150 nan 0.000 0.469 335 N N 0.006 118.731 118.700 0.041 0.000 2.412 335 N HA 0.315 5.055 4.740 0.001 0.000 0.254 335 N C 1.127 176.701 175.510 0.107 0.000 1.232 335 N CA 1.745 54.848 53.050 0.089 0.000 0.880 335 N CB 0.258 38.832 38.487 0.145 0.000 1.076 335 N HN 0.618 nan 8.380 nan 0.000 0.458 336 G N 1.245 110.102 108.800 0.096 0.000 2.195 336 G HA2 -0.190 3.771 3.960 0.001 0.000 0.246 336 G HA3 -0.190 3.771 3.960 0.001 0.000 0.246 336 G C 0.487 175.423 174.900 0.060 0.000 0.984 336 G CA 0.080 45.224 45.100 0.072 0.000 0.633 336 G HN 0.935 nan 8.290 nan 0.000 0.525 337 G N -0.189 108.663 108.800 0.087 0.000 2.432 337 G HA2 0.476 4.436 3.960 0.001 0.000 0.239 337 G HA3 0.476 4.436 3.960 0.001 0.000 0.239 337 G C -0.058 174.758 174.900 -0.139 0.000 1.291 337 G CA 0.025 45.147 45.100 0.038 0.000 0.863 337 G HN 0.706 nan 8.290 nan 0.000 0.560 338 I N 1.347 121.804 120.570 -0.189 0.000 2.406 338 I HA 0.445 4.616 4.170 0.001 0.000 0.290 338 I C 0.447 176.362 176.117 -0.337 0.000 0.999 338 I CA -0.436 60.752 61.300 -0.188 0.000 1.124 338 I CB 2.339 40.309 38.000 -0.051 0.000 1.289 338 I HN 0.666 nan 8.210 nan 0.000 0.441 339 T N 4.365 118.709 114.554 -0.349 0.000 2.901 339 T HA 0.798 5.149 4.350 0.001 0.000 0.293 339 T C -0.478 174.089 174.700 -0.222 0.000 1.084 339 T CA -0.810 61.053 62.100 -0.394 0.000 1.008 339 T CB 2.062 70.541 68.868 -0.649 0.000 1.170 339 T HN 0.494 nan 8.240 nan 0.000 0.509 340 I N -1.122 119.324 120.570 -0.207 0.000 2.846 340 I HA 0.895 5.065 4.170 0.001 0.000 0.307 340 I C -1.157 174.921 176.117 -0.064 0.000 1.053 340 I CA -1.445 59.782 61.300 -0.121 0.000 1.050 340 I CB 2.362 40.241 38.000 -0.201 0.000 1.239 340 I HN 1.051 nan 8.210 nan 0.000 0.439 341 K N 3.776 124.224 120.400 0.080 0.000 2.551 341 K HA 0.540 4.860 4.320 0.001 0.000 0.269 341 K C -1.604 175.198 176.600 0.336 0.000 0.949 341 K CA -0.987 55.393 56.287 0.155 0.000 0.849 341 K CB 1.903 34.443 32.500 0.068 0.000 1.411 341 K HN 0.717 nan 8.250 nan 0.000 0.432 342 L N 2.797 124.225 121.223 0.342 0.000 2.540 342 L HA -0.009 4.331 4.340 0.001 0.000 0.276 342 L C 0.533 177.518 176.870 0.191 0.000 1.212 342 L CA 0.135 55.130 54.840 0.258 0.000 0.893 342 L CB 0.222 42.433 42.059 0.254 0.000 1.138 342 L HN 0.555 nan 8.230 nan 0.000 0.491 343 Q N 2.013 121.895 119.800 0.138 0.000 2.361 343 Q HA 0.102 4.442 4.340 0.001 0.000 0.276 343 Q C -0.059 175.956 176.000 0.026 0.000 1.022 343 Q CA 0.269 56.122 55.803 0.082 0.000 0.898 343 Q CB 0.714 29.486 28.738 0.056 0.000 1.246 343 Q HN 0.710 nan 8.270 nan 0.000 0.410 344 S N 1.215 116.904 115.700 -0.018 0.000 2.293 344 S HA 0.333 4.804 4.470 0.001 0.000 0.154 344 S C -2.437 172.106 174.600 -0.095 0.000 1.602 344 S CA -1.336 56.814 58.200 -0.083 0.000 1.260 344 S CB 0.558 63.744 63.200 -0.023 0.000 1.270 344 S HN 0.389 nan 8.310 nan 0.000 0.416 345 P HA 0.231 nan 4.420 nan 0.000 0.271 345 P C 0.138 177.392 177.300 -0.076 0.000 1.220 345 P CA 0.163 63.212 63.100 -0.084 0.000 0.768 345 P CB 0.630 32.279 31.700 -0.085 0.000 0.848 346 E N 1.213 121.390 120.200 -0.038 0.000 2.392 346 E HA 0.152 4.502 4.350 0.001 0.000 0.264 346 E C -0.257 176.355 176.600 0.020 0.000 1.024 346 E CA -0.762 55.633 56.400 -0.007 0.000 0.903 346 E CB 0.404 30.119 29.700 0.026 0.000 0.963 346 E HN 0.303 nan 8.360 nan 0.000 0.432 347 V N 4.846 124.791 119.914 0.052 0.000 2.320 347 V HA 0.282 4.402 4.120 0.001 0.000 0.265 347 V C 1.879 178.084 176.094 0.184 0.000 1.048 347 V CA -0.170 62.190 62.300 0.100 0.000 0.865 347 V CB 0.200 32.079 31.823 0.093 0.000 1.043 347 V HN 0.858 nan 8.190 nan 0.000 0.474 348 R N 2.983 123.567 120.500 0.140 0.000 2.096 348 R HA -0.179 4.161 4.340 0.001 0.000 0.240 348 R C 2.440 178.843 176.300 0.173 0.000 1.139 348 R CA 2.133 58.319 56.100 0.144 0.000 0.952 348 R CB -0.119 30.240 30.300 0.099 0.000 0.854 348 R HN 0.845 nan 8.270 nan 0.000 0.436 349 S N -0.450 115.359 115.700 0.182 0.000 2.442 349 S HA -0.183 4.287 4.470 0.001 0.000 0.236 349 S C 1.760 176.532 174.600 0.288 0.000 1.007 349 S CA 1.066 59.394 58.200 0.213 0.000 0.965 349 S CB -0.495 62.830 63.200 0.209 0.000 0.773 349 S HN 0.456 nan 8.310 nan 0.000 0.504 350 F N 2.952 123.017 119.950 0.192 0.000 2.163 350 F HA 0.036 4.563 4.527 0.001 0.000 0.297 350 F C 1.711 177.663 175.800 0.253 0.000 1.094 350 F CA 1.534 59.675 58.000 0.234 0.000 1.290 350 F CB -0.458 38.638 39.000 0.161 0.000 1.017 350 F HN 0.065 nan 8.300 nan 0.000 0.483 351 D N 0.702 121.204 120.400 0.171 0.000 2.104 351 D HA -0.201 4.439 4.640 0.001 0.000 0.194 351 D C 1.817 178.078 176.300 -0.065 0.000 0.994 351 D CA 1.756 55.788 54.000 0.053 0.000 0.830 351 D CB -0.655 40.260 40.800 0.191 0.000 0.959 351 D HN 0.320 nan 8.370 nan 0.000 0.452 352 D N -0.758 119.648 120.400 0.010 0.000 2.182 352 D HA -0.177 4.463 4.640 0.001 0.000 0.201 352 D C 1.875 178.144 176.300 -0.052 0.000 0.986 352 D CA 0.738 54.735 54.000 -0.004 0.000 0.847 352 D CB -0.333 40.501 40.800 0.057 0.000 0.942 352 D HN 0.371 nan 8.370 nan 0.000 0.467 353 Y N -0.210 119.948 120.300 -0.236 0.000 2.201 353 Y HA -0.053 4.498 4.550 0.001 0.000 0.292 353 Y C 2.084 177.787 175.900 -0.328 0.000 1.119 353 Y CA 0.818 58.693 58.100 -0.375 0.000 1.127 353 Y CB -0.627 37.384 38.460 -0.748 0.000 1.019 353 Y HN -0.093 nan 8.280 nan 0.000 0.514 354 F N 0.851 120.355 119.950 -0.742 0.000 2.102 354 F HA -0.163 4.364 4.527 0.001 0.000 0.298 354 F C 1.768 177.281 175.800 -0.478 0.000 1.105 354 F CA 1.692 59.223 58.000 -0.781 0.000 1.239 354 F CB -0.507 37.904 39.000 -0.982 0.000 0.991 354 F HN 0.061 nan 8.300 nan 0.000 0.474 355 L N -0.092 120.899 121.223 -0.387 0.000 2.456 355 L HA -0.151 4.189 4.340 0.001 0.000 0.224 355 L C 1.586 178.290 176.870 -0.276 0.000 1.148 355 L CA 1.126 55.753 54.840 -0.354 0.000 0.825 355 L CB -0.507 41.376 42.059 -0.295 0.000 0.937 355 L HN 0.113 nan 8.230 nan 0.000 0.450 356 K N -0.400 119.813 120.400 -0.311 0.000 2.358 356 K HA 0.238 4.558 4.320 0.001 0.000 0.197 356 K C 0.213 176.675 176.600 -0.231 0.000 1.025 356 K CA -0.231 55.923 56.287 -0.221 0.000 1.104 356 K CB 0.466 32.853 32.500 -0.188 0.000 0.855 356 K HN 0.160 nan 8.250 nan 0.000 0.531 357 L N 1.702 122.734 121.223 -0.318 0.000 2.426 357 L HA 0.156 4.496 4.340 0.001 0.000 0.271 357 L C 0.241 177.163 176.870 0.088 0.000 1.169 357 L CA 0.128 54.825 54.840 -0.238 0.000 0.836 357 L CB 0.518 42.347 42.059 -0.382 0.000 1.112 357 L HN 0.021 nan 8.230 nan 0.000 0.465 358 R N 1.653 122.160 120.500 0.013 0.000 2.686 358 R HA 0.208 4.549 4.340 0.001 0.000 0.286 358 R C 0.556 176.799 176.300 -0.096 0.000 0.969 358 R CA -0.923 55.159 56.100 -0.029 0.000 0.898 358 R CB 1.859 32.098 30.300 -0.101 0.000 1.183 358 R HN 0.444 nan 8.270 nan 0.000 0.456 359 L N 2.791 123.694 121.223 -0.534 0.000 2.043 359 L HA -0.236 4.104 4.340 0.001 0.000 0.212 359 L C 1.258 178.014 176.870 -0.189 0.000 1.075 359 L CA 2.512 57.080 54.840 -0.453 0.000 0.752 359 L CB -0.386 40.984 42.059 -1.148 0.000 0.891 359 L HN 0.808 nan 8.230 nan 0.000 0.432 360 D N -3.594 116.673 120.400 -0.221 0.000 2.277 360 D HA -0.117 4.524 4.640 0.001 0.000 0.208 360 D C 1.594 177.832 176.300 -0.104 0.000 0.962 360 D CA 1.253 55.169 54.000 -0.140 0.000 0.865 360 D CB -0.436 40.282 40.800 -0.135 0.000 0.939 360 D HN 0.305 nan 8.370 nan 0.000 0.510 361 T N -0.528 113.957 114.554 -0.115 0.000 3.009 361 T HA -0.027 4.323 4.350 0.001 0.000 0.258 361 T C 0.774 175.395 174.700 -0.132 0.000 1.063 361 T CA 0.205 62.238 62.100 -0.112 0.000 1.139 361 T CB -0.306 68.492 68.868 -0.117 0.000 0.890 361 T HN 0.068 nan 8.240 nan 0.000 0.471 362 N N 2.711 121.311 118.700 -0.166 0.000 2.605 362 N HA 0.058 4.799 4.740 0.001 0.000 0.258 362 N C 1.029 176.460 175.510 -0.131 0.000 1.156 362 N CA 0.017 52.919 53.050 -0.246 0.000 1.008 362 N CB 0.541 38.670 38.487 -0.597 0.000 1.354 362 N HN 0.350 nan 8.380 nan 0.000 0.509 363 T N -0.253 114.230 114.554 -0.118 0.000 3.057 363 T HA -0.010 4.340 4.350 0.001 0.000 0.254 363 T C 1.612 176.258 174.700 -0.089 0.000 1.094 363 T CA 0.153 62.209 62.100 -0.073 0.000 1.088 363 T CB 0.053 68.881 68.868 -0.068 0.000 0.934 363 T HN 0.544 nan 8.240 nan 0.000 0.497 364 R N 1.140 121.535 120.500 -0.176 0.000 2.193 364 R HA 0.131 4.471 4.340 0.001 0.000 0.213 364 R C 0.851 177.110 176.300 -0.069 0.000 1.055 364 R CA 0.503 56.460 56.100 -0.238 0.000 0.995 364 R CB -0.458 29.496 30.300 -0.576 0.000 0.893 364 R HN 0.174 nan 8.270 nan 0.000 0.459 365 N N 2.576 121.293 118.700 0.028 0.000 2.521 365 N HA 0.114 4.854 4.740 0.001 0.000 0.236 365 N C -1.799 173.824 175.510 0.187 0.000 1.067 365 N CA -2.538 50.680 53.050 0.280 0.000 0.939 365 N CB 1.426 40.124 38.487 0.352 0.000 1.201 365 N HN 0.034 nan 8.380 nan 0.000 0.511 366 P HA -0.052 nan 4.420 nan 0.000 0.225 366 P C 0.726 177.988 177.300 -0.064 0.000 1.148 366 P CA 0.958 63.955 63.100 -0.172 0.000 0.779 366 P CB 0.117 31.540 31.700 -0.462 0.000 0.780 367 W N -2.311 119.171 121.300 0.305 0.000 3.197 367 W HA 0.167 4.827 4.660 0.000 0.000 0.274 367 W C 1.623 178.384 176.519 0.403 0.000 1.297 367 W CA -0.496 57.036 57.345 0.311 0.000 1.662 367 W CB -0.963 28.644 29.460 0.246 0.000 1.106 367 W HN -0.102 nan 8.180 nan 0.000 0.663 368 F N 2.375 122.593 119.950 0.447 0.000 2.095 368 F HA -0.115 4.412 4.527 0.001 0.000 0.298 368 F C -0.539 175.559 175.800 0.497 0.000 1.104 368 F CA 1.341 59.635 58.000 0.490 0.000 1.232 368 F CB -1.695 37.524 39.000 0.366 0.000 0.987 368 F HN -0.237 nan 8.300 nan 0.000 0.475 369 P HA -0.215 nan 4.420 nan 0.000 0.216 369 P C 1.490 178.956 177.300 0.276 0.000 1.153 369 P CA 1.965 65.224 63.100 0.264 0.000 0.848 369 P CB -0.185 31.635 31.700 0.200 0.000 0.787 370 E N -0.985 119.407 120.200 0.320 0.000 2.085 370 E HA -0.237 4.113 4.350 0.001 0.000 0.194 370 E C 1.863 178.649 176.600 0.309 0.000 0.994 370 E CA 1.015 57.608 56.400 0.322 0.000 0.801 370 E CB -0.653 29.279 29.700 0.387 0.000 0.743 370 E HN 0.131 nan 8.360 nan 0.000 0.453 371 F N 0.755 120.813 119.950 0.180 0.000 2.134 371 F HA -0.181 4.346 4.527 0.001 0.000 0.299 371 F C 2.088 177.884 175.800 -0.008 0.000 1.097 371 F CA 1.699 59.741 58.000 0.071 0.000 1.264 371 F CB -0.558 38.469 39.000 0.045 0.000 1.001 371 F HN 0.203 nan 8.300 nan 0.000 0.479 372 W N 1.695 122.707 121.300 -0.480 0.000 2.355 372 W HA -0.229 4.432 4.660 0.001 0.000 0.309 372 W C 2.256 178.607 176.519 -0.280 0.000 1.206 372 W CA 2.292 59.325 57.345 -0.520 0.000 1.284 372 W CB -0.680 28.631 29.460 -0.249 0.000 1.145 372 W HN 0.234 nan 8.180 nan 0.000 0.502 373 Q N -1.538 118.343 119.800 0.135 0.000 2.084 373 Q HA -0.279 4.061 4.340 0.001 0.000 0.202 373 Q C 2.358 178.338 176.000 -0.033 0.000 0.978 373 Q CA 1.838 57.712 55.803 0.119 0.000 0.844 373 Q CB -0.865 28.006 28.738 0.221 0.000 0.898 373 Q HN 0.368 nan 8.270 nan 0.000 0.426 374 H N 0.669 119.681 119.070 -0.097 0.000 2.357 374 H HA -0.064 4.493 4.556 0.001 0.000 0.301 374 H C 2.193 177.291 175.328 -0.384 0.000 1.082 374 H CA 1.609 57.596 56.048 -0.102 0.000 1.342 374 H CB 0.321 30.097 29.762 0.022 0.000 1.389 374 H HN -0.000 nan 8.280 nan 0.000 0.511 375 R N 0.384 120.484 120.500 -0.667 0.000 2.081 375 R HA -0.104 4.237 4.340 0.001 0.000 0.235 375 R C 1.337 176.947 176.300 -1.150 0.000 1.131 375 R CA 1.791 57.242 56.100 -1.081 0.000 0.960 375 R CB -0.732 28.433 30.300 -1.892 0.000 0.856 375 R HN 0.307 nan 8.270 nan 0.000 0.436 376 F N 0.629 120.194 119.950 -0.641 0.000 2.668 376 F HA 0.323 4.851 4.527 0.001 0.000 0.301 376 F C -0.205 175.280 175.800 -0.525 0.000 1.106 376 F CA -0.615 57.065 58.000 -0.533 0.000 1.289 376 F CB 0.174 38.850 39.000 -0.540 0.000 1.006 376 F HN -0.058 nan 8.300 nan 0.000 0.535 377 Q N 0.981 120.383 119.800 -0.664 0.000 2.443 377 Q HA -0.216 4.124 4.340 0.001 0.000 0.362 377 Q C -0.405 175.086 176.000 -0.848 0.000 1.423 377 Q CA 0.540 55.498 55.803 -1.408 0.000 1.037 377 Q CB -1.786 26.149 28.738 -1.338 0.000 1.208 377 Q HN 0.647 nan 8.270 nan 0.000 0.334 378 c N -1.374 117.012 118.600 -0.357 0.000 3.284 378 c HA 0.895 5.465 4.570 0.001 0.000 0.348 378 c C -0.785 173.417 174.090 0.187 0.000 1.448 378 c CA -1.147 55.196 56.329 0.022 0.000 1.223 378 c CB 1.952 44.485 42.510 0.038 0.000 1.588 378 c HN 0.849 nan 8.230 nan 0.000 0.451 379 R N 0.592 121.193 120.500 0.168 0.000 2.867 379 R HA 0.943 5.284 4.340 0.001 0.000 0.268 379 R C -1.630 174.740 176.300 0.115 0.000 1.014 379 R CA -0.734 55.464 56.100 0.162 0.000 0.946 379 R CB 1.256 31.648 30.300 0.153 0.000 1.208 379 R HN 0.778 nan 8.270 nan 0.000 0.477 389 N N -0.349 118.296 118.700 -0.092 0.000 2.432 389 N HA 0.076 4.816 4.740 0.001 0.000 0.174 389 N C -0.115 175.145 175.510 -0.417 0.000 1.037 389 N CA 0.262 53.112 53.050 -0.333 0.000 0.892 389 N CB 0.401 38.540 38.487 -0.580 0.000 1.049 389 N HN 0.015 nan 8.380 nan 0.000 0.442 390 F N 0.203 120.169 119.950 0.026 0.000 2.450 390 F HA 0.425 4.952 4.527 0.001 0.000 0.328 390 F C 1.491 177.303 175.800 0.020 0.000 1.068 390 F CA -0.630 57.380 58.000 0.017 0.000 1.007 390 F CB 1.188 40.195 39.000 0.012 0.000 1.251 390 F HN -0.185 nan 8.300 nan 0.000 0.492 391 K N 0.764 121.294 120.400 0.217 0.000 2.128 391 K HA 0.120 4.440 4.320 0.001 0.000 0.202 391 K C 1.114 177.776 176.600 0.103 0.000 1.050 391 K CA 0.491 56.850 56.287 0.120 0.000 0.966 391 K CB -0.405 32.145 32.500 0.084 0.000 0.759 391 K HN 0.623 nan 8.250 nan 0.000 0.454 392 R N 0.333 120.894 120.500 0.101 0.000 2.679 392 R HA 0.245 4.585 4.340 0.001 0.000 0.268 392 R C -0.650 175.692 176.300 0.070 0.000 1.044 392 R CA -0.119 56.019 56.100 0.063 0.000 1.105 392 R CB 0.039 30.359 30.300 0.033 0.000 0.989 392 R HN 0.386 nan 8.270 nan 0.000 0.447 393 I N 4.085 124.686 120.570 0.051 0.000 2.365 393 I HA 0.122 4.293 4.170 0.001 0.000 0.291 393 I C 0.257 176.404 176.117 0.050 0.000 1.004 393 I CA -0.885 60.447 61.300 0.053 0.000 1.311 393 I CB 1.290 39.312 38.000 0.037 0.000 1.401 393 I HN 0.652 nan 8.210 nan 0.000 0.491 394 c N 4.099 122.744 118.600 0.075 0.000 2.642 394 c HA 0.042 4.613 4.570 0.001 0.000 0.420 394 c C 2.078 176.189 174.090 0.035 0.000 1.349 394 c CA -0.278 56.112 56.329 0.101 0.000 1.821 394 c CB -0.121 42.504 42.510 0.192 0.000 2.637 394 c HN 0.917 nan 8.230 nan 0.000 0.605 395 T N -0.547 114.023 114.554 0.025 0.000 2.937 395 T HA 0.235 4.585 4.350 0.001 0.000 0.260 395 T C 1.574 176.230 174.700 -0.072 0.000 1.051 395 T CA 1.121 63.208 62.100 -0.022 0.000 1.141 395 T CB -0.237 68.615 68.868 -0.027 0.000 0.879 395 T HN 1.769 nan 8.240 nan 0.000 0.459 396 G N 1.337 110.084 108.800 -0.088 0.000 2.157 396 G HA2 -0.235 3.726 3.960 0.001 0.000 0.239 396 G HA3 -0.235 3.726 3.960 0.001 0.000 0.239 396 G C 0.733 175.562 174.900 -0.119 0.000 0.982 396 G CA 0.233 45.158 45.100 -0.291 0.000 0.650 396 G HN 0.508 nan 8.290 nan 0.000 0.527 397 N N 0.330 119.028 118.700 -0.004 0.000 2.227 397 N HA 0.160 4.900 4.740 0.001 0.000 0.196 397 N C 0.641 176.122 175.510 -0.049 0.000 1.142 397 N CA 0.343 53.384 53.050 -0.015 0.000 0.887 397 N CB 0.350 38.809 38.487 -0.047 0.000 1.022 397 N HN 0.608 nan 8.380 nan 0.000 0.500 398 E N 0.510 120.623 120.200 -0.145 0.000 2.436 398 E HA 0.026 4.376 4.350 0.001 0.000 0.262 398 E C 0.013 176.278 176.600 -0.558 0.000 1.063 398 E CA 0.359 56.396 56.400 -0.606 0.000 0.944 398 E CB 0.526 29.295 29.700 -1.552 0.000 0.950 398 E HN -0.133 nan 8.360 nan 0.000 0.444 399 S N 1.869 117.315 115.700 -0.422 0.000 2.429 399 S HA 0.203 4.674 4.470 0.001 0.000 0.302 399 S C 0.811 175.442 174.600 0.051 0.000 1.115 399 S CA -0.642 57.478 58.200 -0.133 0.000 1.095 399 S CB 0.224 63.388 63.200 -0.061 0.000 0.987 399 S HN 0.544 nan 8.310 nan 0.000 0.474 400 L N 4.335 125.612 121.223 0.091 0.000 2.456 400 L HA -0.019 4.322 4.340 0.001 0.000 0.224 400 L C 2.031 178.965 176.870 0.106 0.000 1.148 400 L CA 0.957 55.885 54.840 0.145 0.000 0.825 400 L CB -0.240 41.807 42.059 -0.020 0.000 0.937 400 L HN 0.726 nan 8.230 nan 0.000 0.450 401 E N 0.519 120.748 120.200 0.049 0.000 2.358 401 E HA -0.122 4.228 4.350 0.001 0.000 0.195 401 E C 0.448 177.140 176.600 0.153 0.000 1.010 401 E CA 0.037 56.476 56.400 0.066 0.000 0.856 401 E CB -0.014 29.696 29.700 0.016 0.000 0.795 401 E HN 0.603 nan 8.360 nan 0.000 0.504 402 E N 2.017 122.302 120.200 0.141 0.000 2.299 402 E HA 0.004 4.354 4.350 0.001 0.000 0.272 402 E C -0.239 176.440 176.600 0.130 0.000 1.043 402 E CA -0.433 56.038 56.400 0.119 0.000 0.895 402 E CB 0.175 29.932 29.700 0.096 0.000 1.011 402 E HN -0.094 nan 8.360 nan 0.000 0.432 403 N N 1.159 119.926 118.700 0.111 0.000 2.708 403 N HA -0.278 4.462 4.740 0.001 0.000 0.249 403 N C -1.114 174.476 175.510 0.132 0.000 1.097 403 N CA 0.967 54.071 53.050 0.091 0.000 0.710 403 N CB -1.988 36.526 38.487 0.044 0.000 1.032 403 N HN 0.647 nan 8.380 nan 0.000 0.551 404 Y N 0.599 120.941 120.300 0.070 0.000 2.442 404 Y HA 0.351 4.901 4.550 0.001 0.000 0.330 404 Y C 0.097 176.047 175.900 0.083 0.000 1.129 404 Y CA -0.236 57.926 58.100 0.103 0.000 1.365 404 Y CB 0.788 39.331 38.460 0.138 0.000 1.233 404 Y HN -0.024 nan 8.280 nan 0.000 0.529 405 V N 7.110 126.613 119.914 -0.684 0.000 2.623 405 V HA 0.213 4.334 4.120 0.001 0.000 0.304 405 V C -0.541 175.026 176.094 -0.878 0.000 1.054 405 V CA -1.194 60.732 62.300 -0.625 0.000 0.882 405 V CB 1.650 33.325 31.823 -0.248 0.000 1.002 405 V HN 0.760 nan 8.190 nan 0.000 0.424 406 Q N 2.359 121.748 119.800 -0.685 0.000 2.314 406 Q HA 0.145 4.485 4.340 0.001 0.000 0.258 406 Q C -0.072 175.765 176.000 -0.272 0.000 0.954 406 Q CA -0.452 55.136 55.803 -0.357 0.000 0.890 406 Q CB 0.899 29.600 28.738 -0.062 0.000 1.210 406 Q HN 0.835 nan 8.270 nan 0.000 0.410 407 D N 1.889 122.108 120.400 -0.302 0.000 2.662 407 D HA -0.120 4.520 4.640 0.001 0.000 0.233 407 D C 0.790 176.944 176.300 -0.242 0.000 1.129 407 D CA 0.838 54.656 54.000 -0.304 0.000 0.851 407 D CB 0.771 41.322 40.800 -0.416 0.000 1.152 407 D HN 0.583 nan 8.370 nan 0.000 0.507 408 S N 3.609 119.203 115.700 -0.176 0.000 2.500 408 S HA -0.120 4.350 4.470 0.001 0.000 0.239 408 S C 1.209 175.770 174.600 -0.065 0.000 0.989 408 S CA 0.568 58.706 58.200 -0.102 0.000 0.951 408 S CB -0.008 63.164 63.200 -0.047 0.000 0.759 408 S HN 0.484 nan 8.310 nan 0.000 0.523 409 K N -0.027 120.318 120.400 -0.092 0.000 2.397 409 K HA 0.316 4.637 4.320 0.001 0.000 0.202 409 K C 1.168 177.736 176.600 -0.053 0.000 1.022 409 K CA -0.176 56.148 56.287 0.062 0.000 1.141 409 K CB 0.050 32.607 32.500 0.095 0.000 0.857 409 K HN 0.338 nan 8.250 nan 0.000 0.514 410 M N 1.230 120.704 119.600 -0.210 0.000 2.080 410 M HA -0.094 4.387 4.480 0.001 0.000 0.260 410 M C 1.850 178.028 176.300 -0.202 0.000 1.068 410 M CA 1.819 56.934 55.300 -0.307 0.000 1.109 410 M CB -0.997 31.353 32.600 -0.417 0.000 1.342 410 M HN 0.195 nan 8.290 nan 0.000 0.405 411 G N -0.965 107.706 108.800 -0.214 0.000 2.440 411 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 411 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 411 G C 1.289 176.091 174.900 -0.163 0.000 1.154 411 G CA 1.113 46.073 45.100 -0.233 0.000 0.767 411 G HN 0.491 nan 8.290 nan 0.000 0.552 412 F N 0.558 120.513 119.950 0.009 0.000 2.146 412 F HA -0.009 4.518 4.527 0.001 0.000 0.298 412 F C 2.867 178.733 175.800 0.109 0.000 1.096 412 F CA 0.503 58.552 58.000 0.080 0.000 1.275 412 F CB -0.841 38.232 39.000 0.121 0.000 1.008 412 F HN -0.029 nan 8.300 nan 0.000 0.480 413 V N 0.467 120.468 119.914 0.144 0.000 2.287 413 V HA -0.312 3.808 4.120 0.001 0.000 0.248 413 V C 2.352 178.486 176.094 0.067 0.000 1.053 413 V CA 1.897 64.162 62.300 -0.058 0.000 1.027 413 V CB -0.634 30.966 31.823 -0.371 0.000 0.646 413 V HN 0.289 nan 8.190 nan 0.000 0.447 414 I N 0.187 120.800 120.570 0.072 0.000 2.202 414 I HA -0.192 3.979 4.170 0.001 0.000 0.242 414 I C 2.366 178.685 176.117 0.336 0.000 1.091 414 I CA 1.368 62.770 61.300 0.170 0.000 1.368 414 I CB -0.519 37.581 38.000 0.167 0.000 1.058 414 I HN 0.331 nan 8.210 nan 0.000 0.410 415 N N 1.224 120.121 118.700 0.328 0.000 2.149 415 N HA -0.154 4.586 4.740 0.001 0.000 0.188 415 N C 1.854 177.664 175.510 0.500 0.000 1.019 415 N CA 1.587 54.914 53.050 0.463 0.000 0.857 415 N CB -0.402 38.285 38.487 0.334 0.000 0.997 415 N HN 0.367 nan 8.380 nan 0.000 0.426 416 A N 0.786 123.834 122.820 0.380 0.000 1.902 416 A HA -0.070 4.250 4.320 0.001 0.000 0.217 416 A C 2.303 180.028 177.584 0.235 0.000 1.181 416 A CA 0.950 53.187 52.037 0.333 0.000 0.623 416 A CB -0.600 18.602 19.000 0.337 0.000 0.818 416 A HN 0.231 nan 8.150 nan 0.000 0.443 417 I N -2.293 118.378 120.570 0.168 0.000 2.202 417 I HA -0.247 3.923 4.170 0.001 0.000 0.242 417 I C 2.345 178.422 176.117 -0.067 0.000 1.091 417 I CA 1.336 62.645 61.300 0.015 0.000 1.368 417 I CB -0.431 37.529 38.000 -0.066 0.000 1.058 417 I HN 0.381 nan 8.210 nan 0.000 0.410 418 Y N 0.750 121.050 120.300 0.000 0.000 2.224 418 Y HA -0.259 4.291 4.550 0.001 0.000 0.289 418 Y C 2.637 178.370 175.900 -0.279 0.000 1.146 418 Y CA 1.312 59.307 58.100 -0.174 0.000 1.182 418 Y CB -0.483 37.855 38.460 -0.204 0.000 0.983 418 Y HN 0.135 nan 8.280 nan 0.000 0.524 419 A N -0.280 122.624 122.820 0.140 0.000 1.883 419 A HA -0.302 4.018 4.320 0.001 0.000 0.217 419 A C 2.188 179.879 177.584 0.179 0.000 1.186 419 A CA 2.115 54.353 52.037 0.335 0.000 0.624 419 A CB -0.815 18.601 19.000 0.692 0.000 0.822 419 A HN 0.455 nan 8.150 nan 0.000 0.444 420 M N 0.143 119.794 119.600 0.086 0.000 2.080 420 M HA -0.100 4.380 4.480 0.001 0.000 0.260 420 M C 2.219 178.494 176.300 -0.043 0.000 1.068 420 M CA 1.878 57.183 55.300 0.008 0.000 1.109 420 M CB -0.703 31.880 32.600 -0.029 0.000 1.342 420 M HN 0.405 nan 8.290 nan 0.000 0.405 421 A N -1.025 121.724 122.820 -0.119 0.000 1.883 421 A HA -0.224 4.097 4.320 0.001 0.000 0.217 421 A C 2.146 179.603 177.584 -0.212 0.000 1.186 421 A CA 1.956 53.869 52.037 -0.207 0.000 0.624 421 A CB -1.311 17.496 19.000 -0.323 0.000 0.822 421 A HN 0.707 nan 8.150 nan 0.000 0.444 422 H N -0.791 118.202 119.070 -0.128 0.000 2.421 422 H HA -0.099 4.457 4.556 0.001 0.000 0.298 422 H C 2.457 177.792 175.328 0.012 0.000 1.087 422 H CA 1.319 57.326 56.048 -0.069 0.000 1.330 422 H CB -0.499 29.204 29.762 -0.098 0.000 1.388 422 H HN 0.530 nan 8.280 nan 0.000 0.526 423 G N 0.803 109.694 108.800 0.151 0.000 2.418 423 G HA2 -0.182 3.778 3.960 0.001 0.000 0.217 423 G HA3 -0.182 3.778 3.960 0.001 0.000 0.217 423 G C 1.952 176.872 174.900 0.034 0.000 1.158 423 G CA 0.408 45.592 45.100 0.140 0.000 0.771 423 G HN 0.246 nan 8.290 nan 0.000 0.545 424 L N -0.213 120.990 121.223 -0.034 0.000 2.046 424 L HA -0.119 4.221 4.340 0.001 0.000 0.208 424 L C 2.959 179.731 176.870 -0.163 0.000 1.077 424 L CA 1.601 56.383 54.840 -0.097 0.000 0.747 424 L CB -0.400 41.593 42.059 -0.109 0.000 0.896 424 L HN 0.278 nan 8.230 nan 0.000 0.432 425 Q N 0.268 119.954 119.800 -0.190 0.000 2.084 425 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 425 Q C 1.971 177.731 176.000 -0.401 0.000 0.978 425 Q CA 1.798 57.413 55.803 -0.314 0.000 0.844 425 Q CB 0.010 28.574 28.738 -0.290 0.000 0.898 425 Q HN 0.396 nan 8.270 nan 0.000 0.426 426 N N -0.299 118.284 118.700 -0.194 0.000 2.188 426 N HA -0.138 4.603 4.740 0.001 0.000 0.184 426 N C 1.581 176.801 175.510 -0.484 0.000 1.018 426 N CA 1.401 54.381 53.050 -0.117 0.000 0.858 426 N CB -0.325 38.252 38.487 0.149 0.000 0.989 426 N HN 0.381 nan 8.380 nan 0.000 0.426 427 M N 0.165 119.293 119.600 -0.786 0.000 2.108 427 M HA -0.208 4.272 4.480 0.001 0.000 0.261 427 M C 2.249 178.187 176.300 -0.603 0.000 1.066 427 M CA 1.610 56.130 55.300 -1.300 0.000 1.107 427 M CB -0.194 32.017 32.600 -0.648 0.000 1.356 427 M HN 0.237 nan 8.290 nan 0.000 0.406 428 H N -0.988 117.833 119.070 -0.415 0.000 2.321 428 H HA -0.190 4.366 4.556 0.001 0.000 0.300 428 H C 1.873 177.126 175.328 -0.126 0.000 1.087 428 H CA 2.171 58.068 56.048 -0.251 0.000 1.319 428 H CB -0.203 29.419 29.762 -0.233 0.000 1.379 428 H HN 0.494 nan 8.280 nan 0.000 0.501 429 H N 0.140 119.166 119.070 -0.074 0.000 2.353 429 H HA -0.088 4.468 4.556 0.001 0.000 0.298 429 H C 2.299 177.563 175.328 -0.106 0.000 1.103 429 H CA 1.449 57.461 56.048 -0.060 0.000 1.293 429 H CB -0.531 29.236 29.762 0.009 0.000 1.372 429 H HN 0.517 nan 8.280 nan 0.000 0.501 430 A N 0.294 123.092 122.820 -0.036 0.000 1.935 430 A HA 0.054 4.375 4.320 0.001 0.000 0.214 430 A C 2.530 180.101 177.584 -0.021 0.000 1.178 430 A CA 0.677 52.720 52.037 0.009 0.000 0.640 430 A CB -0.286 18.787 19.000 0.122 0.000 0.825 430 A HN 0.287 nan 8.150 nan 0.000 0.447 431 L N -1.583 119.562 121.223 -0.131 0.000 2.408 431 L HA 0.059 4.400 4.340 0.001 0.000 0.215 431 L C 0.426 177.195 176.870 -0.168 0.000 1.081 431 L CA 0.230 55.009 54.840 -0.100 0.000 0.840 431 L CB 0.145 42.147 42.059 -0.096 0.000 1.002 431 L HN 0.327 nan 8.230 nan 0.000 0.468 432 c N 1.260 119.679 118.600 -0.302 0.000 2.808 432 c HA 0.304 4.874 4.570 0.001 0.000 0.261 432 c C -2.169 171.818 174.090 -0.172 0.000 1.574 432 c CA -1.382 54.709 56.329 -0.396 0.000 1.611 432 c CB -0.566 41.502 42.510 -0.738 0.000 2.726 432 c HN 0.105 nan 8.230 nan 0.000 0.528 433 P HA 0.220 nan 4.420 nan 0.000 0.266 433 P C 0.985 178.325 177.300 0.066 0.000 1.215 433 P CA 1.751 64.867 63.100 0.028 0.000 0.763 433 P CB 0.564 32.282 31.700 0.029 0.000 0.806 434 G N 2.066 110.895 108.800 0.049 0.000 2.234 434 G HA2 -0.214 3.746 3.960 0.001 0.000 0.260 434 G HA3 -0.214 3.746 3.960 0.001 0.000 0.260 434 G C 0.371 175.265 174.900 -0.010 0.000 0.987 434 G CA -0.168 44.936 45.100 0.007 0.000 0.625 434 G HN 0.701 nan 8.290 nan 0.000 0.532 435 H N -0.234 118.845 119.070 0.015 0.000 2.690 435 H HA 0.392 4.948 4.556 0.001 0.000 0.365 435 H C 0.016 175.448 175.328 0.173 0.000 1.142 435 H CA 0.481 56.567 56.048 0.063 0.000 1.417 435 H CB 1.620 31.397 29.762 0.025 0.000 1.446 435 H HN 0.061 nan 8.280 nan 0.000 0.599 436 V N 2.762 122.817 119.914 0.235 0.000 2.333 436 V HA 0.319 4.439 4.120 0.001 0.000 0.274 436 V C 0.749 176.930 176.094 0.145 0.000 1.028 436 V CA 0.433 62.828 62.300 0.158 0.000 0.851 436 V CB 0.614 32.483 31.823 0.077 0.000 1.000 436 V HN 1.162 nan 8.190 nan 0.000 0.456 437 G N 4.695 113.539 108.800 0.074 0.000 2.741 437 G HA2 -0.194 3.766 3.960 0.001 0.000 0.222 437 G HA3 -0.194 3.766 3.960 0.001 0.000 0.222 437 G C -0.445 174.539 174.900 0.141 0.000 1.364 437 G CA -0.692 44.409 45.100 0.002 0.000 0.866 437 G HN 0.723 nan 8.290 nan 0.000 0.555 438 L N 0.487 121.742 121.223 0.053 0.000 2.455 438 L HA 0.368 4.708 4.340 0.001 0.000 0.272 438 L C 1.726 178.616 176.870 0.034 0.000 1.174 438 L CA -0.050 54.835 54.840 0.075 0.000 0.869 438 L CB -0.008 42.059 42.059 0.013 0.000 1.130 438 L HN 1.004 nan 8.230 nan 0.000 0.474 439 c N 0.188 118.753 118.600 -0.058 0.000 2.423 439 c HA 0.345 4.916 4.570 0.001 0.000 0.378 439 c C 1.599 175.609 174.090 -0.134 0.000 1.244 439 c CA -0.740 55.462 56.329 -0.211 0.000 1.978 439 c CB 1.441 43.524 42.510 -0.712 0.000 2.252 439 c HN 0.930 nan 8.230 nan 0.000 0.526 440 D N 0.567 120.896 120.400 -0.118 0.000 2.172 440 D HA -0.127 4.513 4.640 0.001 0.000 0.196 440 D C 2.138 178.403 176.300 -0.058 0.000 0.999 440 D CA 2.289 56.252 54.000 -0.062 0.000 0.856 440 D CB -0.104 40.673 40.800 -0.039 0.000 0.934 440 D HN 0.804 nan 8.370 nan 0.000 0.453 441 A N -0.499 122.267 122.820 -0.089 0.000 2.125 441 A HA -0.066 4.254 4.320 0.001 0.000 0.219 441 A C 1.838 179.399 177.584 -0.038 0.000 1.156 441 A CA 0.962 52.964 52.037 -0.059 0.000 0.671 441 A CB -0.345 18.610 19.000 -0.074 0.000 0.794 441 A HN 0.332 nan 8.150 nan 0.000 0.459 442 M N -0.828 118.744 119.600 -0.047 0.000 2.673 442 M HA 0.174 4.654 4.480 0.001 0.000 0.334 442 M C -0.782 175.511 176.300 -0.012 0.000 1.211 442 M CA 0.253 55.540 55.300 -0.020 0.000 0.962 442 M CB 0.406 32.997 32.600 -0.014 0.000 1.343 442 M HN 0.057 nan 8.290 nan 0.000 0.511 443 K N 2.089 122.481 120.400 -0.012 0.000 2.626 443 K HA 0.388 4.708 4.320 0.001 0.000 0.223 443 K C -2.477 174.124 176.600 0.001 0.000 0.992 443 K CA -1.253 55.031 56.287 -0.006 0.000 1.024 443 K CB 1.445 33.940 32.500 -0.008 0.000 1.225 443 K HN 0.017 nan 8.250 nan 0.000 0.498 444 P HA 0.340 nan 4.420 nan 0.000 0.281 444 P C -0.178 177.129 177.300 0.013 0.000 1.281 444 P CA -0.713 62.392 63.100 0.008 0.000 0.811 444 P CB 0.908 32.616 31.700 0.013 0.000 1.154 445 I N 1.085 121.662 120.570 0.012 0.000 2.598 445 I HA -0.040 4.130 4.170 0.001 0.000 0.284 445 I C 0.906 177.048 176.117 0.041 0.000 1.140 445 I CA 0.370 61.683 61.300 0.022 0.000 1.420 445 I CB -0.142 37.866 38.000 0.013 0.000 1.387 445 I HN 0.281 nan 8.210 nan 0.000 0.553 446 D N 6.266 126.703 120.400 0.062 0.000 2.393 446 D HA 0.100 4.741 4.640 0.001 0.000 0.232 446 D C 1.193 177.558 176.300 0.109 0.000 1.192 446 D CA -0.109 53.938 54.000 0.078 0.000 0.882 446 D CB 1.498 42.348 40.800 0.083 0.000 1.038 446 D HN 0.700 nan 8.370 nan 0.000 0.499 447 G N 2.855 111.717 108.800 0.103 0.000 2.469 447 G HA2 -0.318 3.642 3.960 0.001 0.000 0.220 447 G HA3 -0.318 3.642 3.960 0.001 0.000 0.220 447 G C 1.508 176.568 174.900 0.267 0.000 1.136 447 G CA 1.294 46.482 45.100 0.147 0.000 0.759 447 G HN 0.573 nan 8.290 nan 0.000 0.562 448 S N 0.271 116.124 115.700 0.256 0.000 2.402 448 S HA 0.008 4.478 4.470 0.001 0.000 0.229 448 S C 2.078 176.741 174.600 0.105 0.000 1.021 448 S CA 1.408 59.760 58.200 0.252 0.000 0.974 448 S CB -0.159 63.159 63.200 0.197 0.000 0.800 448 S HN 0.457 nan 8.310 nan 0.000 0.484 449 K N 0.544 121.016 120.400 0.120 0.000 2.062 449 K HA 0.127 4.448 4.320 0.001 0.000 0.205 449 K C 2.122 178.850 176.600 0.212 0.000 1.051 449 K CA 1.042 57.399 56.287 0.116 0.000 0.941 449 K CB -0.449 32.182 32.500 0.218 0.000 0.719 449 K HN 0.289 nan 8.250 nan 0.000 0.440 450 L N 1.733 123.107 121.223 0.251 0.000 2.042 450 L HA -0.175 4.165 4.340 0.001 0.000 0.210 450 L C 2.075 179.044 176.870 0.165 0.000 1.076 450 L CA 1.322 56.319 54.840 0.263 0.000 0.749 450 L CB -0.583 41.571 42.059 0.159 0.000 0.893 450 L HN 0.098 nan 8.230 nan 0.000 0.432 451 L N -0.067 121.209 121.223 0.089 0.000 1.997 451 L HA -0.293 4.047 4.340 0.001 0.000 0.216 451 L C 2.188 179.004 176.870 -0.090 0.000 1.074 451 L CA 2.508 57.325 54.840 -0.040 0.000 0.763 451 L CB -1.117 40.825 42.059 -0.196 0.000 0.890 451 L HN 0.494 nan 8.230 nan 0.000 0.434 452 D N -1.725 118.595 120.400 -0.133 0.000 2.219 452 D HA -0.199 4.442 4.640 0.001 0.000 0.205 452 D C 1.951 178.135 176.300 -0.194 0.000 0.970 452 D CA 1.106 54.983 54.000 -0.206 0.000 0.851 452 D CB -0.115 40.504 40.800 -0.301 0.000 0.943 452 D HN 0.398 nan 8.370 nan 0.000 0.488 453 F N 0.149 120.110 119.950 0.018 0.000 2.186 453 F HA 0.034 4.562 4.527 0.000 0.000 0.299 453 F C 2.201 178.041 175.800 0.066 0.000 1.090 453 F CA 0.568 58.599 58.000 0.051 0.000 1.307 453 F CB -0.460 38.571 39.000 0.052 0.000 1.019 453 F HN -0.007 nan 8.300 nan 0.000 0.489 454 L N -0.513 120.815 121.223 0.176 0.000 2.017 454 L HA -0.246 4.094 4.340 0.001 0.000 0.208 454 L C 2.403 179.278 176.870 0.008 0.000 1.073 454 L CA 0.796 55.672 54.840 0.060 0.000 0.745 454 L CB -0.637 41.363 42.059 -0.099 0.000 0.894 454 L HN 0.078 nan 8.230 nan 0.000 0.432 455 I N 0.157 120.699 120.570 -0.046 0.000 2.335 455 I HA -0.276 3.895 4.170 0.001 0.000 0.251 455 I C 2.026 178.288 176.117 0.241 0.000 1.129 455 I CA 1.708 63.016 61.300 0.014 0.000 1.402 455 I CB -0.801 37.182 38.000 -0.029 0.000 1.069 455 I HN 0.300 nan 8.210 nan 0.000 0.424 456 K N -0.156 120.372 120.400 0.213 0.000 2.374 456 K HA 0.132 4.452 4.320 0.001 0.000 0.196 456 K C 0.698 177.480 176.600 0.303 0.000 1.023 456 K CA -0.102 56.327 56.287 0.235 0.000 1.103 456 K CB 0.351 32.940 32.500 0.149 0.000 0.848 456 K HN 0.066 nan 8.250 nan 0.000 0.528 457 S N 1.156 117.091 115.700 0.392 0.000 2.580 457 S HA 0.250 4.720 4.470 0.001 0.000 0.274 457 S C -0.052 174.805 174.600 0.427 0.000 1.329 457 S CA -0.667 57.785 58.200 0.421 0.000 1.036 457 S CB 1.186 64.676 63.200 0.483 0.000 0.919 457 S HN 0.299 nan 8.310 nan 0.000 0.515 458 S N 1.431 117.322 115.700 0.318 0.000 2.541 458 S HA 0.875 5.345 4.470 0.001 0.000 0.271 458 S C -0.931 173.754 174.600 0.141 0.000 1.133 458 S CA -1.027 57.279 58.200 0.176 0.000 0.876 458 S CB 1.140 64.394 63.200 0.090 0.000 1.105 458 S HN 0.825 nan 8.310 nan 0.000 0.470 459 F N -1.237 118.630 119.950 -0.140 0.000 2.817 459 F HA 0.708 5.235 4.527 0.001 0.000 0.317 459 F C -1.983 173.728 175.800 -0.147 0.000 1.168 459 F CA -1.637 56.206 58.000 -0.262 0.000 0.911 459 F CB 0.530 39.092 39.000 -0.731 0.000 1.337 459 F HN 0.525 nan 8.300 nan 0.000 0.464 460 I N 2.292 122.876 120.570 0.024 0.000 2.325 460 I HA 0.513 4.683 4.170 0.001 0.000 0.291 460 I C 0.903 177.043 176.117 0.038 0.000 1.019 460 I CA -0.253 61.021 61.300 -0.044 0.000 1.302 460 I CB 0.884 38.884 38.000 -0.001 0.000 1.401 460 I HN 0.887 nan 8.210 nan 0.000 0.485 461 G N 3.850 112.586 108.800 -0.107 0.000 2.621 461 G HA2 0.217 4.177 3.960 0.001 0.000 0.271 461 G HA3 0.217 4.177 3.960 0.001 0.000 0.271 461 G C 0.927 175.808 174.900 -0.031 0.000 1.236 461 G CA -0.523 44.570 45.100 -0.011 0.000 0.958 461 G HN 0.465 nan 8.290 nan 0.000 0.512 462 V N -0.331 119.568 119.914 -0.024 0.000 2.594 462 V HA -0.087 4.033 4.120 0.001 0.000 0.253 462 V C 2.158 178.230 176.094 -0.037 0.000 1.069 462 V CA 2.529 64.804 62.300 -0.041 0.000 1.082 462 V CB -0.111 31.720 31.823 0.012 0.000 0.680 462 V HN 0.522 nan 8.190 nan 0.000 0.469 463 S N -0.519 115.148 115.700 -0.055 0.000 2.582 463 S HA 0.442 4.913 4.470 0.001 0.000 0.234 463 S C 1.239 175.815 174.600 -0.041 0.000 0.961 463 S CA 0.526 58.695 58.200 -0.051 0.000 0.953 463 S CB 0.677 63.830 63.200 -0.079 0.000 0.800 463 S HN 1.034 nan 8.310 nan 0.000 0.471 464 G N 2.584 111.359 108.800 -0.041 0.000 2.195 464 G HA2 -0.248 3.712 3.960 0.001 0.000 0.246 464 G HA3 -0.248 3.712 3.960 0.001 0.000 0.246 464 G C -0.028 174.850 174.900 -0.036 0.000 0.984 464 G CA 0.120 45.201 45.100 -0.032 0.000 0.633 464 G HN 0.600 nan 8.290 nan 0.000 0.525 465 E N 1.516 121.683 120.200 -0.054 0.000 2.390 465 E HA 0.340 4.691 4.350 0.001 0.000 0.261 465 E C -0.307 176.226 176.600 -0.112 0.000 1.076 465 E CA -0.248 56.118 56.400 -0.057 0.000 0.905 465 E CB 0.869 30.523 29.700 -0.077 0.000 0.984 465 E HN 0.494 nan 8.360 nan 0.000 0.427 466 E N 1.227 121.375 120.200 -0.087 0.000 2.223 466 E HA 0.248 4.598 4.350 0.001 0.000 0.282 466 E C -0.759 175.732 176.600 -0.181 0.000 1.046 466 E CA -0.485 55.845 56.400 -0.116 0.000 0.857 466 E CB 1.556 31.243 29.700 -0.021 0.000 1.055 466 E HN 0.261 nan 8.360 nan 0.000 0.409 467 V N 5.899 125.535 119.914 -0.464 0.000 2.394 467 V HA 0.457 4.577 4.120 0.001 0.000 0.282 467 V C -0.167 175.629 176.094 -0.496 0.000 1.031 467 V CA -0.538 61.362 62.300 -0.668 0.000 0.881 467 V CB 0.205 31.270 31.823 -1.264 0.000 0.982 467 V HN 0.650 nan 8.190 nan 0.000 0.451 468 W N 4.347 125.227 121.300 -0.700 0.000 2.959 468 W HA 0.733 5.393 4.660 0.000 0.000 0.358 468 W C -2.616 173.438 176.519 -0.775 0.000 1.228 468 W CA -1.527 55.458 57.345 -0.600 0.000 1.183 468 W CB 1.255 30.565 29.460 -0.250 0.000 1.467 468 W HN 0.346 nan 8.180 nan 0.000 0.578 469 F N 1.979 121.988 119.950 0.098 0.000 2.565 469 F HA 0.302 4.829 4.527 0.001 0.000 0.313 469 F C 0.565 176.404 175.800 0.065 0.000 1.091 469 F CA -0.623 57.311 58.000 -0.110 0.000 0.915 469 F CB 1.572 40.574 39.000 0.003 0.000 1.208 469 F HN 0.213 nan 8.300 nan 0.000 0.453 470 D N 0.568 121.006 120.400 0.064 0.000 2.440 470 D HA 0.047 4.687 4.640 0.001 0.000 0.269 470 D C 1.118 177.530 176.300 0.186 0.000 1.249 470 D CA -0.335 53.793 54.000 0.214 0.000 1.055 470 D CB 0.285 41.155 40.800 0.116 0.000 1.104 470 D HN 0.627 nan 8.370 nan 0.000 0.561 471 E N 0.039 120.328 120.200 0.148 0.000 2.333 471 E HA -0.228 4.123 4.350 0.001 0.000 0.198 471 E C 0.747 177.384 176.600 0.061 0.000 1.007 471 E CA 1.041 57.497 56.400 0.092 0.000 0.845 471 E CB -0.342 29.400 29.700 0.069 0.000 0.766 471 E HN 0.550 nan 8.360 nan 0.000 0.507 472 K N -0.078 120.364 120.400 0.071 0.000 2.387 472 K HA 0.203 4.523 4.320 0.001 0.000 0.198 472 K C 0.856 177.505 176.600 0.082 0.000 1.022 472 K CA 0.386 56.713 56.287 0.066 0.000 1.128 472 K CB 0.511 33.051 32.500 0.068 0.000 0.853 472 K HN 0.279 nan 8.250 nan 0.000 0.523 473 G N 1.954 110.801 108.800 0.078 0.000 2.148 473 G HA2 -0.211 3.750 3.960 0.001 0.000 0.254 473 G HA3 -0.211 3.750 3.960 0.001 0.000 0.254 473 G C -0.467 174.528 174.900 0.159 0.000 0.981 473 G CA 0.036 45.175 45.100 0.066 0.000 0.670 473 G HN 0.278 nan 8.290 nan 0.000 0.528 474 D N 0.554 121.018 120.400 0.108 0.000 2.283 474 D HA 0.664 5.305 4.640 0.001 0.000 0.248 474 D C 0.675 176.906 176.300 -0.116 0.000 1.072 474 D CA 0.722 54.745 54.000 0.039 0.000 0.929 474 D CB 1.546 42.355 40.800 0.015 0.000 1.182 474 D HN 0.602 nan 8.370 nan 0.000 0.433 475 A N 1.916 124.638 122.820 -0.165 0.000 2.294 475 A HA 0.668 4.988 4.320 0.001 0.000 0.330 475 A C -2.365 174.998 177.584 -0.369 0.000 1.133 475 A CA -1.243 50.576 52.037 -0.363 0.000 0.836 475 A CB 0.416 19.279 19.000 -0.228 0.000 1.190 475 A HN 0.311 nan 8.150 nan 0.000 0.492 476 P HA 0.381 nan 4.420 nan 0.000 0.271 476 P C 0.044 177.274 177.300 -0.117 0.000 1.233 476 P CA 0.066 63.007 63.100 -0.265 0.000 0.789 476 P CB 0.607 32.148 31.700 -0.265 0.000 0.951 477 G N 0.565 109.385 108.800 0.033 0.000 2.513 477 G HA2 0.656 4.616 3.960 0.001 0.000 0.317 477 G HA3 0.656 4.616 3.960 0.001 0.000 0.317 477 G C -1.124 173.794 174.900 0.030 0.000 1.277 477 G CA -0.649 44.458 45.100 0.011 0.000 0.955 477 G HN 0.298 nan 8.290 nan 0.000 0.484 478 R N 1.133 121.501 120.500 -0.220 0.000 2.483 478 R HA 0.417 4.757 4.340 0.001 0.000 0.303 478 R C -1.525 174.676 176.300 -0.165 0.000 0.987 478 R CA -0.576 55.495 56.100 -0.048 0.000 0.881 478 R CB 1.881 32.169 30.300 -0.022 0.000 1.177 478 R HN 0.602 nan 8.270 nan 0.000 0.451 479 Y N 0.402 120.895 120.300 0.321 0.000 2.485 479 Y HA 0.314 4.865 4.550 0.001 0.000 0.345 479 Y C 0.208 176.244 175.900 0.228 0.000 0.998 479 Y CA -1.004 57.231 58.100 0.225 0.000 1.059 479 Y CB 1.663 40.209 38.460 0.143 0.000 1.234 479 Y HN 0.369 nan 8.280 nan 0.000 0.461 480 D N 2.259 122.867 120.400 0.347 0.000 2.264 480 D HA 0.386 5.026 4.640 0.001 0.000 0.249 480 D C -0.582 175.830 176.300 0.187 0.000 1.070 480 D CA 0.042 54.227 54.000 0.307 0.000 0.912 480 D CB 1.637 42.643 40.800 0.343 0.000 1.193 480 D HN 0.370 nan 8.370 nan 0.000 0.427 481 I N 1.940 122.548 120.570 0.063 0.000 2.378 481 I HA 0.316 4.487 4.170 0.001 0.000 0.291 481 I C 0.077 176.159 176.117 -0.058 0.000 0.992 481 I CA -0.370 60.931 61.300 0.001 0.000 1.154 481 I CB 1.089 39.102 38.000 0.021 0.000 1.315 481 I HN 0.069 nan 8.210 nan 0.000 0.448 482 M N 5.558 125.138 119.600 -0.033 0.000 2.591 482 M HA 0.393 4.873 4.480 0.001 0.000 0.306 482 M C -0.690 175.606 176.300 -0.007 0.000 1.190 482 M CA -0.400 54.902 55.300 0.003 0.000 0.889 482 M CB 2.445 35.081 32.600 0.060 0.000 1.728 482 M HN 0.472 nan 8.290 nan 0.000 0.458 483 N N 1.756 120.480 118.700 0.040 0.000 2.448 483 N HA 0.380 5.120 4.740 0.001 0.000 0.279 483 N C -1.841 173.693 175.510 0.039 0.000 1.025 483 N CA -0.639 52.423 53.050 0.020 0.000 0.898 483 N CB 1.344 39.842 38.487 0.019 0.000 1.303 483 N HN 0.509 nan 8.380 nan 0.000 0.495 484 L N 3.175 124.398 121.223 -0.000 0.000 2.418 484 L HA 0.217 4.558 4.340 0.001 0.000 0.274 484 L C -0.501 176.386 176.870 0.029 0.000 1.135 484 L CA 0.872 55.676 54.840 -0.059 0.000 0.870 484 L CB 0.299 42.295 42.059 -0.104 0.000 1.154 484 L HN 0.600 nan 8.230 nan 0.000 0.462 485 Q N 3.449 123.275 119.800 0.043 0.000 2.423 485 Q HA 0.472 4.813 4.340 0.001 0.000 0.278 485 Q C -1.225 174.789 176.000 0.024 0.000 1.097 485 Q CA -0.661 55.175 55.803 0.056 0.000 0.809 485 Q CB 1.844 30.596 28.738 0.024 0.000 1.391 485 Q HN 0.617 nan 8.270 nan 0.000 0.428 486 Y N 0.326 120.583 120.300 -0.071 0.000 2.404 486 Y HA 0.586 5.136 4.550 0.001 0.000 0.344 486 Y C 0.726 176.509 175.900 -0.195 0.000 0.995 486 Y CA -0.342 57.547 58.100 -0.352 0.000 1.201 486 Y CB -0.501 37.714 38.460 -0.408 0.000 1.151 486 Y HN 0.806 nan 8.280 nan 0.000 0.517 487 T N 1.205 115.647 114.554 -0.187 0.000 2.748 487 T HA 0.446 4.797 4.350 0.001 0.000 0.304 487 T C 1.284 175.935 174.700 -0.082 0.000 1.041 487 T CA 0.276 62.319 62.100 -0.094 0.000 1.033 487 T CB -0.119 68.709 68.868 -0.067 0.000 0.995 487 T HN 1.464 nan 8.240 nan 0.000 0.536 488 E N -0.482 119.690 120.200 -0.045 0.000 2.505 488 E HA 0.442 4.792 4.350 0.001 0.000 0.197 488 E C 1.355 177.934 176.600 -0.036 0.000 1.111 488 E CA 1.189 57.568 56.400 -0.035 0.000 0.887 488 E CB -1.031 28.659 29.700 -0.017 0.000 0.913 488 E HN 0.963 nan 8.360 nan 0.000 0.517 489 A N -0.393 122.397 122.820 -0.049 0.000 3.259 489 A HA 0.654 4.974 4.320 0.001 0.000 0.203 489 A C 1.676 179.220 177.584 -0.067 0.000 2.011 489 A CA 0.976 52.986 52.037 -0.046 0.000 1.833 489 A CB 0.034 19.013 19.000 -0.035 0.000 1.287 489 A HN 1.045 nan 8.150 nan 0.000 0.371 490 N N -2.021 116.630 118.700 -0.081 0.000 2.261 490 N HA 0.496 5.236 4.740 0.001 0.000 0.241 490 N C -0.061 175.363 175.510 -0.143 0.000 1.374 490 N CA 0.928 53.912 53.050 -0.110 0.000 0.802 490 N CB 0.110 38.561 38.487 -0.061 0.000 1.339 490 N HN 1.001 nan 8.380 nan 0.000 0.498 491 R N 0.074 120.483 120.500 -0.150 0.000 2.664 491 R HA 0.804 5.144 4.340 0.001 0.000 0.286 491 R C -1.100 175.075 176.300 -0.209 0.000 0.967 491 R CA -0.659 55.375 56.100 -0.110 0.000 0.933 491 R CB -0.023 30.264 30.300 -0.021 0.000 1.146 491 R HN 0.423 nan 8.270 nan 0.000 0.468 492 Y N 0.413 120.700 120.300 -0.023 0.000 2.365 492 Y HA 0.480 5.030 4.550 0.001 0.000 0.340 492 Y C 0.975 176.832 175.900 -0.072 0.000 1.016 492 Y CA 0.726 58.795 58.100 -0.052 0.000 1.196 492 Y CB 1.293 39.715 38.460 -0.063 0.000 1.167 492 Y HN 0.884 nan 8.280 nan 0.000 0.509 493 D N 2.037 122.458 120.400 0.036 0.000 2.575 493 D HA 0.445 5.085 4.640 0.001 0.000 0.236 493 D C -1.544 174.737 176.300 -0.032 0.000 1.075 493 D CA -0.789 53.222 54.000 0.020 0.000 0.860 493 D CB 1.011 41.841 40.800 0.051 0.000 1.475 493 D HN 0.548 nan 8.370 nan 0.000 0.474 494 Y N 0.919 121.272 120.300 0.090 0.000 2.585 494 Y HA 0.400 4.951 4.550 0.001 0.000 0.354 494 Y C 0.519 176.455 175.900 0.061 0.000 1.024 494 Y CA -0.474 57.662 58.100 0.059 0.000 1.321 494 Y CB 0.788 39.275 38.460 0.045 0.000 1.151 494 Y HN 0.349 nan 8.280 nan 0.000 0.525 495 V N 3.904 123.922 119.914 0.173 0.000 2.509 495 V HA 0.032 4.153 4.120 0.001 0.000 0.284 495 V C 0.358 176.545 176.094 0.155 0.000 1.047 495 V CA -0.949 61.437 62.300 0.143 0.000 0.952 495 V CB 0.816 32.693 31.823 0.090 0.000 0.988 495 V HN 0.654 nan 8.190 nan 0.000 0.469 496 H N 4.425 123.541 119.070 0.077 0.000 3.017 496 H HA 0.158 4.715 4.556 0.001 0.000 0.276 496 H C 0.584 175.951 175.328 0.066 0.000 1.062 496 H CA 0.267 56.356 56.048 0.069 0.000 1.486 496 H CB 1.507 31.306 29.762 0.061 0.000 1.507 496 H HN 0.615 nan 8.280 nan 0.000 0.508 497 V N 2.025 121.793 119.914 -0.244 0.000 3.645 497 V HA 0.497 4.618 4.120 0.001 0.000 0.275 497 V C 0.849 176.831 176.094 -0.188 0.000 1.356 497 V CA 0.639 62.858 62.300 -0.135 0.000 1.051 497 V CB 0.552 32.358 31.823 -0.028 0.000 0.828 497 V HN 0.821 nan 8.190 nan 0.000 0.441 498 G N 0.214 108.765 108.800 -0.414 0.000 2.321 498 G HA2 0.518 4.478 3.960 0.001 0.000 0.296 498 G HA3 0.518 4.478 3.960 0.001 0.000 0.296 498 G C -0.787 174.028 174.900 -0.141 0.000 1.287 498 G CA 0.204 45.180 45.100 -0.207 0.000 0.846 498 G HN 0.853 nan 8.290 nan 0.000 0.508 499 T N -3.213 111.384 114.554 0.072 0.000 2.896 499 T HA 0.630 4.980 4.350 0.001 0.000 0.297 499 T C -1.835 173.046 174.700 0.301 0.000 1.108 499 T CA -0.507 61.720 62.100 0.212 0.000 1.004 499 T CB 2.565 71.568 68.868 0.225 0.000 1.159 499 T HN 1.151 nan 8.240 nan 0.000 0.499 500 W N 2.408 123.822 121.300 0.190 0.000 2.362 500 W HA 0.586 5.246 4.660 0.000 0.000 0.316 500 W C -1.088 175.566 176.519 0.224 0.000 1.024 500 W CA -0.619 56.849 57.345 0.204 0.000 1.270 500 W CB 0.910 30.510 29.460 0.232 0.000 1.273 500 W HN 1.012 nan 8.180 nan 0.000 0.424 501 H N 4.825 123.771 119.070 -0.207 0.000 2.725 501 H HA 0.228 4.785 4.556 0.001 0.000 0.283 501 H C 0.083 175.120 175.328 -0.484 0.000 1.110 501 H CA -0.156 55.776 56.048 -0.194 0.000 1.289 501 H CB 0.394 30.092 29.762 -0.107 0.000 1.400 501 H HN 0.643 nan 8.280 nan 0.000 0.493 502 E N 3.608 123.401 120.200 -0.679 0.000 2.269 502 E HA -0.282 4.068 4.350 0.001 0.000 0.223 502 E C 0.953 177.154 176.600 -0.666 0.000 1.244 502 E CA 0.749 56.821 56.400 -0.547 0.000 0.713 502 E CB -1.377 28.118 29.700 -0.342 0.000 1.178 502 E HN 1.177 nan 8.360 nan 0.000 0.370 503 G N -1.754 106.149 108.800 -1.495 0.000 2.213 503 G HA2 -0.297 3.663 3.960 0.001 0.000 0.236 503 G HA3 -0.297 3.663 3.960 0.001 0.000 0.236 503 G C 0.252 174.757 174.900 -0.658 0.000 0.991 503 G CA -0.060 44.570 45.100 -0.783 0.000 0.629 503 G HN 0.393 nan 8.290 nan 0.000 0.517 504 V N 1.878 121.353 119.914 -0.732 0.000 2.347 504 V HA 0.670 4.790 4.120 0.001 0.000 0.280 504 V C 0.198 176.088 176.094 -0.341 0.000 1.021 504 V CA -0.695 61.387 62.300 -0.363 0.000 0.847 504 V CB 1.479 33.196 31.823 -0.175 0.000 0.990 504 V HN 0.463 nan 8.190 nan 0.000 0.444 505 L N 5.909 127.048 121.223 -0.139 0.000 2.276 505 L HA 0.558 4.899 4.340 0.001 0.000 0.286 505 L C -0.123 176.764 176.870 0.028 0.000 1.061 505 L CA 0.581 55.451 54.840 0.050 0.000 0.807 505 L CB 0.804 42.978 42.059 0.192 0.000 1.177 505 L HN 0.568 nan 8.230 nan 0.000 0.429 506 N N 6.352 125.085 118.700 0.055 0.000 2.504 506 N HA 0.496 5.236 4.740 0.001 0.000 0.280 506 N C -1.374 174.158 175.510 0.038 0.000 1.052 506 N CA -0.237 52.828 53.050 0.026 0.000 0.887 506 N CB 1.719 40.211 38.487 0.009 0.000 1.323 506 N HN 0.547 nan 8.380 nan 0.000 0.509 507 I N 0.307 120.892 120.570 0.025 0.000 2.689 507 I HA 0.396 4.566 4.170 0.001 0.000 0.299 507 I C 0.204 176.336 176.117 0.025 0.000 1.059 507 I CA -0.786 60.535 61.300 0.034 0.000 1.055 507 I CB 2.124 40.170 38.000 0.077 0.000 1.243 507 I HN 0.375 nan 8.210 nan 0.000 0.425 508 D N 2.843 123.261 120.400 0.030 0.000 2.256 508 D HA 0.578 5.218 4.640 0.001 0.000 0.246 508 D C -0.239 176.090 176.300 0.048 0.000 1.042 508 D CA 0.068 54.087 54.000 0.032 0.000 0.841 508 D CB 1.505 42.323 40.800 0.030 0.000 1.223 508 D HN 0.764 nan 8.370 nan 0.000 0.470 509 D N 0.000 120.428 120.400 0.046 0.000 6.856 509 D HA 0.000 4.640 4.640 0.001 0.000 0.175 509 D CA 0.000 54.034 54.000 0.057 0.000 0.868 509 D CB 0.000 40.830 40.800 0.050 0.000 0.688 509 D HN 0.000 nan 8.370 nan 0.000 0.683