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 1p0y_1_A DATA FIRST_RESID 49 DATA SEQUENCE SLSPAVQTFW KWLQEEGVIT AKTPVKASVV TEGLGLVALK DISRNDVILQ DATA SEQUENCE VPKRLWINPD AVAASEIGRV CSELKPWLSV ILFLIRERSR EDSVWKHYFG DATA SEQUENCE ILPQETDSTI YWSEEELQEL QGSQLLKTTV SVKEYVKNEC LKLEQEIILP DATA SEQUENCE NKRLFPDPVT LDDFFWAFGI LRSRAFSRLR NENLVVVPMA DLINHSAGVT DATA SEQUENCE TEDHAYEVKX XXXXXXXDYL FSLKSPLSVK AGEQVYIQYD LNKSNAELAL DATA SEQUENCE DYGFIEPNEN RHAYTLTLEI SESDPFFDDK LDVAESNGFA QTAYFDIFYN DATA SEQUENCE RTLPPGLLPY LRLVALGGTD AFLLESLFRD TIWGHLELSV SRDNEELLCK DATA SEQUENCE AVREACKSAL AGYHTTIEQD RELKEGNLDS RLAIAVGIRE GEKMVLQQID DATA SEQUENCE GIFEQKELEL DQLEYYQERR LKDLGLCGEN GDILENLY 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.597 174.600 -0.005 0.000 1.055 49 S CA 0.000 58.201 58.200 0.002 0.000 1.107 49 S CB 0.000 63.202 63.200 0.003 0.000 0.593 50 L N 1.152 122.371 121.223 -0.007 0.000 2.378 50 L HA 0.607 4.947 4.340 -0.000 0.000 0.195 50 L C 0.548 177.416 176.870 -0.003 0.000 1.287 50 L CA 0.408 55.236 54.840 -0.019 0.000 1.364 50 L CB 0.422 42.457 42.059 -0.040 0.000 1.310 50 L HN 0.552 nan 8.230 nan 0.000 0.732 51 S N -2.479 113.226 115.700 0.009 0.000 2.543 51 S HA 0.352 4.822 4.470 -0.000 0.000 0.274 51 S C -2.400 172.230 174.600 0.050 0.000 1.149 51 S CA -0.997 57.219 58.200 0.026 0.000 0.866 51 S CB 1.528 64.740 63.200 0.021 0.000 1.111 51 S HN 0.028 nan 8.310 nan 0.000 0.457 52 P HA 0.019 nan 4.420 nan 0.000 0.211 52 P C 1.520 178.880 177.300 0.099 0.000 1.179 52 P CA 2.254 65.395 63.100 0.069 0.000 0.910 52 P CB -0.064 31.670 31.700 0.056 0.000 0.785 53 A N -0.592 122.288 122.820 0.099 0.000 1.917 53 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 53 A C 2.343 180.045 177.584 0.196 0.000 1.182 53 A CA 2.197 54.316 52.037 0.138 0.000 0.633 53 A CB -1.890 17.174 19.000 0.106 0.000 0.819 53 A HN 0.044 nan 8.150 nan 0.000 0.448 54 V N -0.588 119.418 119.914 0.152 0.000 2.343 54 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 54 V C 2.675 178.926 176.094 0.263 0.000 1.051 54 V CA 2.293 64.707 62.300 0.191 0.000 1.036 54 V CB -0.852 31.011 31.823 0.067 0.000 0.654 54 V HN 0.616 nan 8.190 nan 0.000 0.451 55 Q N 0.287 120.198 119.800 0.185 0.000 2.077 55 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 55 Q C 2.345 178.498 176.000 0.256 0.000 0.989 55 Q CA 2.757 58.677 55.803 0.196 0.000 0.853 55 Q CB -0.765 28.050 28.738 0.129 0.000 0.907 55 Q HN 0.683 nan 8.270 nan 0.000 0.418 56 T N -0.011 114.678 114.554 0.226 0.000 2.643 56 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 56 T C 1.370 176.255 174.700 0.309 0.000 1.045 56 T CA 1.281 63.496 62.100 0.192 0.000 1.155 56 T CB -0.642 68.299 68.868 0.122 0.000 0.863 56 T HN 0.345 nan 8.240 nan 0.000 0.420 57 F N 0.426 120.552 119.950 0.293 0.000 2.154 57 F HA -0.150 4.377 4.527 -0.000 0.000 0.301 57 F C 2.201 178.321 175.800 0.533 0.000 1.087 57 F CA 1.243 59.517 58.000 0.455 0.000 1.274 57 F CB -0.326 38.934 39.000 0.433 0.000 1.009 57 F HN 0.301 nan 8.300 nan 0.000 0.485 58 W N 1.127 122.581 121.300 0.257 0.000 2.381 58 W HA -0.230 4.430 4.660 -0.000 0.000 0.301 58 W C 2.281 178.811 176.519 0.018 0.000 1.205 58 W CA 1.441 58.857 57.345 0.118 0.000 1.285 58 W CB -0.131 29.416 29.460 0.145 0.000 1.133 58 W HN 0.012 nan 8.180 nan 0.000 0.521 59 K N -0.662 119.848 120.400 0.183 0.000 2.001 59 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 59 K C 1.623 178.210 176.600 -0.023 0.000 1.048 59 K CA 1.909 58.219 56.287 0.038 0.000 0.932 59 K CB -1.105 31.443 32.500 0.080 0.000 0.715 59 K HN 0.104 nan 8.250 nan 0.000 0.437 60 W N 2.018 123.228 121.300 -0.150 0.000 2.341 60 W HA -0.172 4.488 4.660 -0.000 0.000 0.283 60 W C 1.147 177.541 176.519 -0.207 0.000 1.215 60 W CA 1.285 58.530 57.345 -0.167 0.000 1.211 60 W CB -0.106 29.278 29.460 -0.125 0.000 1.131 60 W HN -0.009 nan 8.180 nan 0.000 0.552 61 L N -0.002 120.921 121.223 -0.500 0.000 2.418 61 L HA -0.054 4.286 4.340 -0.000 0.000 0.218 61 L C 2.314 178.868 176.870 -0.528 0.000 1.125 61 L CA 0.708 55.135 54.840 -0.689 0.000 0.835 61 L CB -0.529 41.141 42.059 -0.649 0.000 0.953 61 L HN 0.068 nan 8.230 nan 0.000 0.454 62 Q N 0.007 119.557 119.800 -0.417 0.000 2.163 62 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 62 Q C 0.646 176.495 176.000 -0.252 0.000 0.954 62 Q CA 0.712 56.324 55.803 -0.318 0.000 0.851 62 Q CB 0.204 28.789 28.738 -0.255 0.000 0.928 62 Q HN 0.242 nan 8.270 nan 0.000 0.459 63 E N 0.680 120.736 120.200 -0.240 0.000 2.422 63 E HA 0.001 4.351 4.350 -0.000 0.000 0.267 63 E C -0.115 176.329 176.600 -0.259 0.000 1.466 63 E CA 0.192 56.485 56.400 -0.179 0.000 1.767 63 E CB 0.211 29.864 29.700 -0.077 0.000 1.471 63 E HN 0.155 nan 8.360 nan 0.000 0.446 64 E N -1.308 118.707 120.200 -0.309 0.000 2.490 64 E HA 0.095 4.445 4.350 -0.000 0.000 0.184 64 E C 0.782 177.235 176.600 -0.245 0.000 0.927 64 E CA 0.504 56.707 56.400 -0.328 0.000 1.387 64 E CB 0.751 30.104 29.700 -0.579 0.000 1.570 64 E HN 0.278 nan 8.360 nan 0.000 0.762 65 G N 1.730 110.396 108.800 -0.223 0.000 2.147 65 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 65 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 65 G C 0.980 175.780 174.900 -0.168 0.000 1.005 65 G CA 0.685 45.685 45.100 -0.168 0.000 0.713 65 G HN 0.171 nan 8.290 nan 0.000 0.515 66 V N 0.227 120.005 119.914 -0.227 0.000 2.403 66 V HA 0.292 4.412 4.120 -0.000 0.000 0.239 66 V C 1.742 177.720 176.094 -0.193 0.000 1.041 66 V CA 1.438 63.621 62.300 -0.195 0.000 1.051 66 V CB -0.020 31.652 31.823 -0.252 0.000 0.704 66 V HN 0.577 nan 8.190 nan 0.000 0.472 67 I N 2.763 123.159 120.570 -0.289 0.000 2.269 67 I HA 0.253 4.423 4.170 -0.000 0.000 0.293 67 I C 0.916 176.894 176.117 -0.233 0.000 1.106 67 I CA -0.169 60.946 61.300 -0.309 0.000 1.248 67 I CB 0.501 38.151 38.000 -0.584 0.000 1.444 67 I HN 0.489 nan 8.210 nan 0.000 0.497 68 T N 3.486 117.952 114.554 -0.147 0.000 2.889 68 T HA 0.365 4.715 4.350 -0.000 0.000 0.340 68 T C 1.329 175.977 174.700 -0.087 0.000 1.145 68 T CA 0.194 62.230 62.100 -0.107 0.000 0.986 68 T CB 1.011 69.836 68.868 -0.071 0.000 1.461 68 T HN 0.600 nan 8.240 nan 0.000 0.541 69 A N 0.087 122.873 122.820 -0.057 0.000 2.016 69 A HA 0.203 4.523 4.320 -0.000 0.000 0.217 69 A C 1.485 179.059 177.584 -0.016 0.000 1.162 69 A CA 0.945 52.962 52.037 -0.034 0.000 0.662 69 A CB -0.559 18.426 19.000 -0.025 0.000 0.812 69 A HN 0.679 nan 8.150 nan 0.000 0.450 70 K N 2.106 122.495 120.400 -0.017 0.000 2.231 70 K HA 0.319 4.639 4.320 -0.000 0.000 0.255 70 K C -0.988 175.614 176.600 0.003 0.000 1.108 70 K CA 0.347 56.633 56.287 -0.002 0.000 0.997 70 K CB -0.436 32.062 32.500 -0.003 0.000 1.549 70 K HN 0.200 nan 8.250 nan 0.000 0.419 71 T N 1.875 116.442 114.554 0.022 0.000 3.176 71 T HA 0.300 4.650 4.350 -0.000 0.000 0.337 71 T C -2.414 172.335 174.700 0.082 0.000 0.957 71 T CA -1.416 60.711 62.100 0.045 0.000 1.092 71 T CB 1.249 70.132 68.868 0.025 0.000 1.018 71 T HN 0.342 nan 8.240 nan 0.000 0.473 72 P HA 0.276 nan 4.420 nan 0.000 0.249 72 P C -0.278 177.079 177.300 0.095 0.000 1.686 72 P CA -0.070 63.074 63.100 0.074 0.000 0.873 72 P CB -0.048 31.683 31.700 0.052 0.000 1.828 73 V N 0.899 120.901 119.914 0.147 0.000 2.781 73 V HA 0.319 4.439 4.120 -0.000 0.000 0.289 73 V C -1.033 175.246 176.094 0.308 0.000 1.275 73 V CA -0.787 61.619 62.300 0.175 0.000 0.936 73 V CB 2.075 33.998 31.823 0.168 0.000 1.074 73 V HN 0.279 nan 8.190 nan 0.000 0.444 74 K N 5.923 126.427 120.400 0.173 0.000 2.221 74 K HA 0.971 5.291 4.320 -0.000 0.000 0.243 74 K C -0.233 176.197 176.600 -0.283 0.000 0.968 74 K CA -0.313 56.003 56.287 0.049 0.000 0.846 74 K CB 2.388 34.894 32.500 0.010 0.000 1.141 74 K HN 1.032 nan 8.250 nan 0.000 0.434 75 A N 1.185 123.516 122.820 -0.815 0.000 2.327 75 A HA 0.526 4.846 4.320 -0.000 0.000 0.283 75 A C -0.506 176.869 177.584 -0.349 0.000 1.127 75 A CA -0.331 51.363 52.037 -0.571 0.000 0.810 75 A CB 0.150 18.703 19.000 -0.745 0.000 1.066 75 A HN 0.868 nan 8.150 nan 0.000 0.492 76 S N -0.039 115.541 115.700 -0.200 0.000 2.596 76 S HA 0.564 5.034 4.470 -0.000 0.000 0.270 76 S C -0.998 173.549 174.600 -0.087 0.000 1.155 76 S CA -0.759 57.362 58.200 -0.132 0.000 0.827 76 S CB 1.028 64.167 63.200 -0.103 0.000 1.130 76 S HN 0.823 nan 8.310 nan 0.000 0.467 77 V N 2.458 122.336 119.914 -0.060 0.000 2.372 77 V HA 0.463 4.583 4.120 -0.000 0.000 0.261 77 V C 0.457 176.535 176.094 -0.027 0.000 1.055 77 V CA -0.249 62.029 62.300 -0.036 0.000 0.930 77 V CB 0.063 31.872 31.823 -0.024 0.000 1.031 77 V HN 0.849 nan 8.190 nan 0.000 0.479 78 V N 2.385 122.286 119.914 -0.021 0.000 3.093 78 V HA 0.534 4.653 4.120 -0.000 0.000 0.320 78 V C 1.472 177.571 176.094 0.010 0.000 1.093 78 V CA 0.158 62.452 62.300 -0.010 0.000 1.016 78 V CB 1.249 33.059 31.823 -0.023 0.000 1.096 78 V HN 0.772 nan 8.190 nan 0.000 0.452 79 T N -0.887 113.679 114.554 0.020 0.000 2.737 79 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 79 T C 1.004 175.724 174.700 0.034 0.000 1.040 79 T CA 1.801 63.916 62.100 0.025 0.000 1.142 79 T CB -0.668 68.213 68.868 0.023 0.000 0.861 79 T HN 0.961 nan 8.240 nan 0.000 0.456 80 E N 2.142 122.368 120.200 0.042 0.000 2.320 80 E HA 0.380 4.730 4.350 -0.000 0.000 0.189 80 E C 1.373 178.012 176.600 0.064 0.000 1.100 80 E CA 0.383 56.816 56.400 0.056 0.000 1.009 80 E CB -0.653 29.081 29.700 0.056 0.000 1.145 80 E HN 0.721 nan 8.360 nan 0.000 0.454 81 G N 1.048 109.876 108.800 0.046 0.000 3.299 81 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.251 81 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.251 81 G C -0.487 174.424 174.900 0.018 0.000 1.741 81 G CA -0.158 44.965 45.100 0.040 0.000 1.151 81 G HN 0.261 nan 8.290 nan 0.000 0.561 82 L N 1.424 122.658 121.223 0.018 0.000 2.386 82 L HA 0.763 5.103 4.340 -0.000 0.000 0.271 82 L C 0.655 177.525 176.870 -0.002 0.000 0.993 82 L CA -0.145 54.691 54.840 -0.006 0.000 0.819 82 L CB 2.024 44.075 42.059 -0.014 0.000 1.294 82 L HN 1.151 nan 8.230 nan 0.000 0.414 83 G N 2.337 111.115 108.800 -0.036 0.000 2.788 83 G HA2 0.653 4.613 3.960 -0.000 0.000 0.293 83 G HA3 0.653 4.613 3.960 -0.000 0.000 0.293 83 G C -1.704 173.156 174.900 -0.067 0.000 1.392 83 G CA -0.676 44.394 45.100 -0.051 0.000 0.810 83 G HN 0.344 nan 8.290 nan 0.000 0.508 84 L N 1.157 122.338 121.223 -0.069 0.000 2.295 84 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 84 L C -0.382 176.442 176.870 -0.077 0.000 1.018 84 L CA -0.833 53.985 54.840 -0.036 0.000 0.841 84 L CB 1.571 43.666 42.059 0.059 0.000 1.218 84 L HN 0.119 nan 8.230 nan 0.000 0.424 85 V N 3.299 123.171 119.914 -0.071 0.000 2.406 85 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 85 V C 0.817 176.903 176.094 -0.013 0.000 1.043 85 V CA -0.560 61.703 62.300 -0.061 0.000 0.915 85 V CB 1.585 33.370 31.823 -0.063 0.000 0.988 85 V HN 0.864 nan 8.190 nan 0.000 0.466 86 A N 5.635 128.452 122.820 -0.005 0.000 2.580 86 A HA 0.139 4.459 4.320 -0.000 0.000 0.244 86 A C 0.992 178.595 177.584 0.031 0.000 1.045 86 A CA 0.220 52.271 52.037 0.023 0.000 0.761 86 A CB -0.060 18.951 19.000 0.018 0.000 0.962 86 A HN 0.930 nan 8.150 nan 0.000 0.512 87 L N 0.407 121.662 121.223 0.053 0.000 2.554 87 L HA 0.141 4.481 4.340 -0.000 0.000 0.226 87 L C 0.745 177.641 176.870 0.043 0.000 1.137 87 L CA 0.842 55.716 54.840 0.057 0.000 0.863 87 L CB -0.212 41.900 42.059 0.088 0.000 0.985 87 L HN 0.792 nan 8.230 nan 0.000 0.451 88 K N -1.423 118.999 120.400 0.037 0.000 2.809 88 K HA 0.162 4.482 4.320 -0.000 0.000 0.293 88 K C -1.682 174.934 176.600 0.026 0.000 1.061 88 K CA -0.770 55.534 56.287 0.029 0.000 0.837 88 K CB 0.527 33.045 32.500 0.029 0.000 1.524 88 K HN -0.314 nan 8.250 nan 0.000 0.370 89 D N 1.313 121.726 120.400 0.021 0.000 2.586 89 D HA 0.122 4.762 4.640 -0.000 0.000 0.234 89 D C -0.128 176.185 176.300 0.022 0.000 1.132 89 D CA 0.979 54.991 54.000 0.020 0.000 0.860 89 D CB 0.022 40.832 40.800 0.016 0.000 1.159 89 D HN 0.308 nan 8.370 nan 0.000 0.490 90 I N 0.930 121.514 120.570 0.023 0.000 2.797 90 I HA 0.397 4.567 4.170 -0.000 0.000 0.307 90 I C 0.362 176.492 176.117 0.022 0.000 1.033 90 I CA -0.833 60.482 61.300 0.025 0.000 1.071 90 I CB 2.034 40.053 38.000 0.031 0.000 1.255 90 I HN 0.207 nan 8.210 nan 0.000 0.445 91 S N 1.987 117.700 115.700 0.021 0.000 2.709 91 S HA 0.498 4.968 4.470 -0.000 0.000 0.302 91 S C -0.451 174.161 174.600 0.019 0.000 1.127 91 S CA -0.767 57.444 58.200 0.018 0.000 0.905 91 S CB 1.706 64.914 63.200 0.014 0.000 1.151 91 S HN 0.541 nan 8.310 nan 0.000 0.510 92 R N 1.475 121.985 120.500 0.016 0.000 2.585 92 R HA 0.056 4.396 4.340 -0.000 0.000 0.275 92 R C 0.379 176.688 176.300 0.015 0.000 1.018 92 R CA 0.782 56.892 56.100 0.016 0.000 1.072 92 R CB -0.156 30.151 30.300 0.011 0.000 0.953 92 R HN 0.811 nan 8.270 nan 0.000 0.419 93 N N 1.170 119.881 118.700 0.018 0.000 2.900 93 N HA -0.235 4.505 4.740 -0.000 0.000 0.240 93 N C -1.061 174.458 175.510 0.015 0.000 0.953 93 N CA 1.469 54.528 53.050 0.015 0.000 0.950 93 N CB -0.778 37.714 38.487 0.008 0.000 1.102 93 N HN 0.663 nan 8.380 nan 0.000 0.593 94 D N 1.213 121.625 120.400 0.019 0.000 2.389 94 D HA 0.169 4.809 4.640 -0.000 0.000 0.263 94 D C 0.155 176.469 176.300 0.024 0.000 1.255 94 D CA 0.095 54.107 54.000 0.019 0.000 0.914 94 D CB 0.675 41.489 40.800 0.023 0.000 1.116 94 D HN -0.040 nan 8.370 nan 0.000 0.502 95 V N 5.027 124.951 119.914 0.017 0.000 2.584 95 V HA -0.094 4.026 4.120 -0.000 0.000 0.303 95 V C 1.675 177.789 176.094 0.033 0.000 1.035 95 V CA 0.521 62.832 62.300 0.019 0.000 1.172 95 V CB 0.315 32.143 31.823 0.008 0.000 0.896 95 V HN 0.528 nan 8.190 nan 0.000 0.486 96 I N 4.886 125.485 120.570 0.048 0.000 2.556 96 I HA 0.150 4.319 4.170 -0.000 0.000 0.251 96 I C 0.266 176.428 176.117 0.074 0.000 1.105 96 I CA 0.863 62.204 61.300 0.069 0.000 1.436 96 I CB 0.101 38.157 38.000 0.093 0.000 1.139 96 I HN 0.590 nan 8.210 nan 0.000 0.438 97 L N -1.871 119.395 121.223 0.072 0.000 2.671 97 L HA 0.623 4.963 4.340 -0.000 0.000 0.259 97 L C -1.353 175.557 176.870 0.068 0.000 1.021 97 L CA -0.684 54.199 54.840 0.072 0.000 0.871 97 L CB 1.657 43.785 42.059 0.115 0.000 1.472 97 L HN -0.073 nan 8.230 nan 0.000 0.410 98 Q N 0.494 120.337 119.800 0.070 0.000 2.315 98 Q HA 0.859 5.198 4.340 -0.000 0.000 0.273 98 Q C -1.658 174.431 176.000 0.148 0.000 1.053 98 Q CA -0.966 54.902 55.803 0.109 0.000 0.817 98 Q CB 3.453 32.233 28.738 0.070 0.000 1.326 98 Q HN 0.583 nan 8.270 nan 0.000 0.423 99 V N 2.224 122.314 119.914 0.293 0.000 2.735 99 V HA 0.520 4.640 4.120 -0.000 0.000 0.310 99 V C -2.510 173.876 176.094 0.487 0.000 1.061 99 V CA -2.192 60.317 62.300 0.348 0.000 0.913 99 V CB 2.085 34.133 31.823 0.375 0.000 1.005 99 V HN 0.640 nan 8.190 nan 0.000 0.428 100 P HA 0.284 nan 4.420 nan 0.000 0.284 100 P C 0.348 177.156 177.300 -0.820 0.000 1.253 100 P CA -0.553 62.461 63.100 -0.144 0.000 0.800 100 P CB 0.829 32.463 31.700 -0.111 0.000 0.961 101 K N 3.105 122.730 120.400 -1.291 0.000 2.362 101 K HA -0.218 4.102 4.320 -0.000 0.000 0.202 101 K C 1.849 177.818 176.600 -1.052 0.000 1.045 101 K CA 1.042 55.996 56.287 -2.222 0.000 0.936 101 K CB -0.070 31.673 32.500 -1.261 0.000 0.747 101 K HN 0.261 nan 8.250 nan 0.000 0.467 102 R N 0.617 120.811 120.500 -0.509 0.000 2.159 102 R HA -0.123 4.216 4.340 -0.000 0.000 0.237 102 R C 1.143 177.479 176.300 0.060 0.000 1.131 102 R CA 1.247 57.240 56.100 -0.178 0.000 0.982 102 R CB -0.042 30.186 30.300 -0.120 0.000 0.868 102 R HN 0.274 nan 8.270 nan 0.000 0.453 103 L N -0.194 121.117 121.223 0.147 0.000 2.769 103 L HA 0.249 4.589 4.340 -0.000 0.000 0.240 103 L C 0.450 177.714 176.870 0.657 0.000 1.163 103 L CA -0.594 54.647 54.840 0.668 0.000 0.962 103 L CB 0.034 42.406 42.059 0.521 0.000 1.258 103 L HN 0.159 nan 8.230 nan 0.000 0.513 104 W N 0.295 121.607 121.300 0.019 0.000 1.924 104 W HA 0.264 4.924 4.660 -0.000 0.000 0.363 104 W C 0.514 176.815 176.519 -0.363 0.000 1.435 104 W CA -0.727 56.476 57.345 -0.237 0.000 1.497 104 W CB 0.940 30.285 29.460 -0.192 0.000 1.263 104 W HN -0.143 nan 8.180 nan 0.000 0.667 105 I N 2.317 122.786 120.570 -0.168 0.000 2.831 105 I HA -0.045 4.125 4.170 -0.000 0.000 0.326 105 I C -0.293 175.678 176.117 -0.244 0.000 1.449 105 I CA -0.399 60.700 61.300 -0.335 0.000 0.809 105 I CB -0.490 37.190 38.000 -0.535 0.000 2.112 105 I HN 0.352 nan 8.210 nan 0.000 0.584 106 N N 0.969 119.588 118.700 -0.136 0.000 2.491 106 N HA 0.461 5.201 4.740 -0.000 0.000 0.279 106 N C -2.317 173.115 175.510 -0.129 0.000 1.236 106 N CA -1.843 51.151 53.050 -0.094 0.000 0.982 106 N CB 0.246 38.736 38.487 0.006 0.000 1.194 106 N HN -0.222 nan 8.380 nan 0.000 0.582 107 P HA -0.104 nan 4.420 nan 0.000 0.217 107 P C 0.375 177.644 177.300 -0.053 0.000 1.148 107 P CA 1.361 64.433 63.100 -0.046 0.000 0.828 107 P CB 0.176 31.879 31.700 0.006 0.000 0.783 108 D N -1.019 119.357 120.400 -0.039 0.000 2.178 108 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 108 D C 1.964 178.231 176.300 -0.055 0.000 0.974 108 D CA 1.317 55.297 54.000 -0.033 0.000 0.841 108 D CB -0.561 40.222 40.800 -0.028 0.000 0.953 108 D HN 0.087 nan 8.370 nan 0.000 0.478 109 A N 0.934 123.689 122.820 -0.109 0.000 1.898 109 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 109 A C 2.455 179.905 177.584 -0.224 0.000 1.181 109 A CA 1.772 53.719 52.037 -0.151 0.000 0.620 109 A CB -0.757 18.103 19.000 -0.233 0.000 0.819 109 A HN 0.232 nan 8.150 nan 0.000 0.442 110 V N -2.698 116.993 119.914 -0.371 0.000 2.667 110 V HA 0.068 4.187 4.120 -0.000 0.000 0.252 110 V C 2.353 178.505 176.094 0.097 0.000 1.065 110 V CA 1.800 64.030 62.300 -0.117 0.000 1.083 110 V CB -1.040 30.759 31.823 -0.041 0.000 0.692 110 V HN 0.479 nan 8.190 nan 0.000 0.468 111 A N 0.462 123.301 122.820 0.030 0.000 2.014 111 A HA 0.444 4.764 4.320 -0.000 0.000 0.218 111 A C 2.189 179.809 177.584 0.061 0.000 1.163 111 A CA 1.333 53.400 52.037 0.049 0.000 0.652 111 A CB -0.624 18.390 19.000 0.023 0.000 0.808 111 A HN 1.086 nan 8.150 nan 0.000 0.449 112 A N 0.037 122.896 122.820 0.065 0.000 2.415 112 A HA 0.484 4.804 4.320 -0.000 0.000 0.248 112 A C 1.067 178.725 177.584 0.123 0.000 1.299 112 A CA 0.585 52.666 52.037 0.072 0.000 0.899 112 A CB -0.576 18.454 19.000 0.049 0.000 0.997 112 A HN 0.666 nan 8.150 nan 0.000 0.506 113 S N -1.521 114.286 115.700 0.179 0.000 2.759 113 S HA 0.483 4.953 4.470 -0.000 0.000 0.310 113 S C 0.523 175.197 174.600 0.124 0.000 1.123 113 S CA -0.263 58.067 58.200 0.217 0.000 0.959 113 S CB 0.862 64.334 63.200 0.453 0.000 1.172 113 S HN 0.123 nan 8.310 nan 0.000 0.539 114 E N 0.628 120.869 120.200 0.069 0.000 2.160 114 E HA -0.099 4.250 4.350 -0.000 0.000 0.195 114 E C 1.563 178.162 176.600 -0.002 0.000 0.991 114 E CA 1.764 58.167 56.400 0.005 0.000 0.810 114 E CB -0.609 29.057 29.700 -0.056 0.000 0.742 114 E HN 0.733 nan 8.360 nan 0.000 0.466 115 I N -3.308 117.278 120.570 0.026 0.000 3.684 115 I HA 0.251 4.421 4.170 -0.000 0.000 0.304 115 I C 1.913 178.099 176.117 0.115 0.000 1.278 115 I CA 0.526 61.854 61.300 0.047 0.000 1.272 115 I CB -0.196 37.847 38.000 0.071 0.000 1.029 115 I HN -0.011 nan 8.210 nan 0.000 0.458 116 G N 2.188 111.060 108.800 0.121 0.000 2.462 116 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 116 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 116 G C 1.729 176.674 174.900 0.074 0.000 1.121 116 G CA 0.410 45.573 45.100 0.105 0.000 0.758 116 G HN 0.313 nan 8.290 nan 0.000 0.559 117 R N 0.510 121.047 120.500 0.060 0.000 2.061 117 R HA -0.079 4.261 4.340 -0.000 0.000 0.230 117 R C 2.829 179.161 176.300 0.053 0.000 1.140 117 R CA 1.683 57.811 56.100 0.046 0.000 0.940 117 R CB -1.642 28.677 30.300 0.033 0.000 0.839 117 R HN 0.504 nan 8.270 nan 0.000 0.429 118 V N -1.187 118.768 119.914 0.069 0.000 2.759 118 V HA -0.115 4.005 4.120 -0.000 0.000 0.256 118 V C 2.095 178.239 176.094 0.085 0.000 1.080 118 V CA 1.228 63.579 62.300 0.084 0.000 1.101 118 V CB -0.987 30.914 31.823 0.130 0.000 0.698 118 V HN 0.184 nan 8.190 nan 0.000 0.477 119 C N 1.659 121.016 119.300 0.094 0.000 2.673 119 C HA 0.183 4.643 4.460 -0.000 0.000 0.274 119 C C 2.991 178.008 174.990 0.044 0.000 1.276 119 C CA 0.387 59.450 59.018 0.075 0.000 1.701 119 C CB -1.488 26.319 27.740 0.111 0.000 1.836 119 C HN 0.808 nan 8.230 nan 0.000 0.596 120 S N 1.837 117.562 115.700 0.041 0.000 2.407 120 S HA -0.251 4.218 4.470 -0.000 0.000 0.235 120 S C 1.309 175.919 174.600 0.018 0.000 1.036 120 S CA 1.938 60.156 58.200 0.030 0.000 1.013 120 S CB -0.254 62.962 63.200 0.028 0.000 0.820 120 S HN 0.694 nan 8.310 nan 0.000 0.476 121 E N 0.642 120.848 120.200 0.010 0.000 2.251 121 E HA 0.361 4.711 4.350 -0.000 0.000 0.194 121 E C 0.304 176.893 176.600 -0.018 0.000 0.964 121 E CA -0.192 56.208 56.400 -0.001 0.000 0.868 121 E CB -0.104 29.594 29.700 -0.004 0.000 0.828 121 E HN 0.502 nan 8.360 nan 0.000 0.481 122 L N 2.127 123.330 121.223 -0.034 0.000 2.543 122 L HA -0.047 4.292 4.340 -0.000 0.000 0.285 122 L C 0.552 177.370 176.870 -0.087 0.000 1.236 122 L CA 0.271 55.060 54.840 -0.085 0.000 0.871 122 L CB 0.143 42.144 42.059 -0.098 0.000 1.121 122 L HN 0.021 nan 8.230 nan 0.000 0.501 123 K N 3.957 124.268 120.400 -0.149 0.000 2.336 123 K HA 0.013 4.333 4.320 -0.000 0.000 0.262 123 K C -1.231 175.307 176.600 -0.105 0.000 0.992 123 K CA -0.973 55.257 56.287 -0.096 0.000 0.927 123 K CB 0.343 32.785 32.500 -0.097 0.000 0.956 123 K HN 0.406 nan 8.250 nan 0.000 0.495 124 P HA -0.235 nan 4.420 nan 0.000 0.215 124 P C 1.141 178.526 177.300 0.142 0.000 1.163 124 P CA 1.885 65.045 63.100 0.099 0.000 0.894 124 P CB -0.237 31.554 31.700 0.151 0.000 0.791 125 W N 0.793 122.138 121.300 0.076 0.000 2.381 125 W HA -0.069 4.591 4.660 -0.000 0.000 0.301 125 W C 2.039 178.642 176.519 0.139 0.000 1.205 125 W CA 0.332 57.739 57.345 0.104 0.000 1.285 125 W CB -1.979 27.561 29.460 0.134 0.000 1.133 125 W HN -0.148 nan 8.180 nan 0.000 0.521 126 L N 1.792 122.669 121.223 -0.578 0.000 2.042 126 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 126 L C 2.818 179.628 176.870 -0.100 0.000 1.076 126 L CA 2.109 56.639 54.840 -0.517 0.000 0.749 126 L CB -1.011 40.596 42.059 -0.753 0.000 0.893 126 L HN -0.070 nan 8.230 nan 0.000 0.432 127 S N -0.660 115.009 115.700 -0.051 0.000 2.383 127 S HA -0.111 4.358 4.470 -0.000 0.000 0.227 127 S C 1.985 176.695 174.600 0.183 0.000 1.026 127 S CA 1.200 59.445 58.200 0.075 0.000 0.981 127 S CB -0.173 63.058 63.200 0.052 0.000 0.818 127 S HN 0.207 nan 8.310 nan 0.000 0.472 128 V N 1.914 121.931 119.914 0.173 0.000 2.453 128 V HA -0.075 4.045 4.120 -0.000 0.000 0.247 128 V C 2.027 178.319 176.094 0.330 0.000 1.048 128 V CA 1.104 63.535 62.300 0.219 0.000 1.049 128 V CB -0.757 31.155 31.823 0.149 0.000 0.672 128 V HN 0.411 nan 8.190 nan 0.000 0.457 129 I N -0.061 120.695 120.570 0.311 0.000 2.099 129 I HA -0.272 3.898 4.170 -0.000 0.000 0.239 129 I C 2.432 178.756 176.117 0.344 0.000 1.066 129 I CA 1.812 63.327 61.300 0.357 0.000 1.324 129 I CB -0.413 37.830 38.000 0.405 0.000 1.037 129 I HN 0.226 nan 8.210 nan 0.000 0.401 130 L N -0.353 121.051 121.223 0.302 0.000 2.043 130 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 130 L C 2.610 179.686 176.870 0.344 0.000 1.075 130 L CA 1.582 56.587 54.840 0.275 0.000 0.752 130 L CB -0.671 41.547 42.059 0.266 0.000 0.891 130 L HN 0.234 nan 8.230 nan 0.000 0.432 131 F N 0.341 120.437 119.950 0.244 0.000 2.134 131 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 131 F C 2.258 178.230 175.800 0.286 0.000 1.097 131 F CA 1.417 59.564 58.000 0.246 0.000 1.264 131 F CB -0.024 39.106 39.000 0.217 0.000 1.001 131 F HN -0.131 nan 8.300 nan 0.000 0.479 132 L N -0.118 121.433 121.223 0.546 0.000 2.027 132 L HA -0.233 4.107 4.340 -0.000 0.000 0.206 132 L C 2.406 179.469 176.870 0.321 0.000 1.074 132 L CA 1.387 56.560 54.840 0.555 0.000 0.745 132 L CB -0.600 41.788 42.059 0.548 0.000 0.898 132 L HN 0.168 nan 8.230 nan 0.000 0.433 133 I N -0.684 120.045 120.570 0.266 0.000 2.127 133 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 133 I C 2.813 178.879 176.117 -0.085 0.000 1.075 133 I CA 1.385 62.713 61.300 0.047 0.000 1.334 133 I CB -0.424 37.560 38.000 -0.028 0.000 1.040 133 I HN 0.246 nan 8.210 nan 0.000 0.405 134 R N 0.913 121.414 120.500 0.002 0.000 2.082 134 R HA -0.193 4.147 4.340 -0.000 0.000 0.234 134 R C 2.339 178.555 176.300 -0.141 0.000 1.136 134 R CA 1.614 57.687 56.100 -0.046 0.000 0.935 134 R CB -0.123 30.170 30.300 -0.012 0.000 0.842 134 R HN 0.247 nan 8.270 nan 0.000 0.430 135 E N 0.333 120.438 120.200 -0.157 0.000 2.171 135 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 135 E C 1.941 178.479 176.600 -0.103 0.000 0.997 135 E CA 0.967 57.356 56.400 -0.018 0.000 0.810 135 E CB -0.255 29.651 29.700 0.342 0.000 0.738 135 E HN 0.340 nan 8.360 nan 0.000 0.467 136 R N 0.424 120.634 120.500 -0.484 0.000 2.091 136 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 136 R C 2.224 178.281 176.300 -0.405 0.000 1.136 136 R CA 1.689 57.296 56.100 -0.822 0.000 0.959 136 R CB 0.026 29.762 30.300 -0.941 0.000 0.856 136 R HN 0.015 nan 8.270 nan 0.000 0.437 137 S N 0.074 115.606 115.700 -0.281 0.000 2.414 137 S HA 0.049 4.518 4.470 -0.000 0.000 0.227 137 S C 0.439 174.962 174.600 -0.129 0.000 1.022 137 S CA 0.253 58.338 58.200 -0.192 0.000 0.958 137 S CB -0.008 63.096 63.200 -0.161 0.000 0.797 137 S HN 0.297 nan 8.310 nan 0.000 0.493 138 R N 2.120 122.555 120.500 -0.108 0.000 2.446 138 R HA 0.019 4.359 4.340 -0.000 0.000 0.314 138 R C 1.175 177.437 176.300 -0.063 0.000 1.003 138 R CA -0.054 55.999 56.100 -0.078 0.000 1.018 138 R CB 0.296 30.553 30.300 -0.071 0.000 0.945 138 R HN 0.195 nan 8.270 nan 0.000 0.419 139 E N 2.698 122.860 120.200 -0.064 0.000 2.265 139 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 139 E C 0.627 177.186 176.600 -0.068 0.000 0.996 139 E CA 1.645 58.010 56.400 -0.059 0.000 0.832 139 E CB 0.167 29.838 29.700 -0.049 0.000 0.756 139 E HN 0.636 nan 8.360 nan 0.000 0.491 140 D N -0.760 119.600 120.400 -0.067 0.000 2.424 140 D HA 0.041 4.681 4.640 -0.000 0.000 0.220 140 D C -0.049 176.193 176.300 -0.098 0.000 1.150 140 D CA -0.169 53.785 54.000 -0.077 0.000 0.831 140 D CB -0.207 40.558 40.800 -0.059 0.000 0.981 140 D HN -0.008 nan 8.370 nan 0.000 0.500 141 S N -0.043 115.607 115.700 -0.083 0.000 2.560 141 S HA 0.069 4.539 4.470 -0.000 0.000 0.284 141 S C 1.623 176.081 174.600 -0.236 0.000 1.327 141 S CA -0.587 57.571 58.200 -0.071 0.000 1.055 141 S CB 1.224 64.500 63.200 0.128 0.000 0.868 141 S HN 0.057 nan 8.310 nan 0.000 0.506 142 V N 4.071 123.711 119.914 -0.456 0.000 2.490 142 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 142 V C 0.962 176.575 176.094 -0.802 0.000 1.061 142 V CA 1.514 63.378 62.300 -0.726 0.000 1.064 142 V CB -0.695 30.436 31.823 -1.152 0.000 0.670 142 V HN 0.964 nan 8.190 nan 0.000 0.461 143 W N -0.020 121.258 121.300 -0.036 0.000 3.213 143 W HA 0.364 5.024 4.660 -0.000 0.000 0.430 143 W C 1.752 178.186 176.519 -0.143 0.000 0.975 143 W CA -0.618 56.613 57.345 -0.190 0.000 2.015 143 W CB -0.475 28.765 29.460 -0.368 0.000 1.047 143 W HN 0.052 nan 8.180 nan 0.000 0.797 144 K N 0.510 120.764 120.400 -0.244 0.000 2.063 144 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 144 K C 1.479 177.903 176.600 -0.294 0.000 1.048 144 K CA 1.724 57.844 56.287 -0.278 0.000 0.928 144 K CB -0.069 32.068 32.500 -0.605 0.000 0.713 144 K HN 0.293 nan 8.250 nan 0.000 0.442 145 H N -1.662 117.298 119.070 -0.184 0.000 2.497 145 H HA -0.072 4.484 4.556 -0.000 0.000 0.282 145 H C 1.771 177.276 175.328 0.294 0.000 1.003 145 H CA 1.008 57.047 56.048 -0.014 0.000 1.307 145 H CB -0.354 29.293 29.762 -0.192 0.000 1.437 145 H HN 0.342 nan 8.280 nan 0.000 0.544 146 Y N 0.963 121.392 120.300 0.215 0.000 2.220 146 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 146 Y C 1.954 177.937 175.900 0.139 0.000 1.129 146 Y CA 1.019 59.335 58.100 0.360 0.000 1.161 146 Y CB -0.766 37.940 38.460 0.411 0.000 0.997 146 Y HN -0.061 nan 8.280 nan 0.000 0.522 147 F N 0.035 120.099 119.950 0.190 0.000 2.365 147 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 147 F C 2.435 178.243 175.800 0.013 0.000 1.090 147 F CA 0.645 58.689 58.000 0.072 0.000 1.408 147 F CB -0.371 38.742 39.000 0.188 0.000 1.060 147 F HN 0.199 nan 8.300 nan 0.000 0.534 148 G N -0.410 108.513 108.800 0.206 0.000 2.598 148 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 148 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 148 G C 1.429 176.372 174.900 0.073 0.000 1.131 148 G CA 0.382 45.568 45.100 0.143 0.000 0.785 148 G HN 0.226 nan 8.290 nan 0.000 0.539 149 I N 0.385 120.938 120.570 -0.027 0.000 3.616 149 I HA 0.257 4.427 4.170 -0.000 0.000 0.296 149 I C 1.113 177.155 176.117 -0.125 0.000 1.226 149 I CA -0.078 61.144 61.300 -0.130 0.000 1.394 149 I CB -0.504 37.266 38.000 -0.384 0.000 1.171 149 I HN 0.006 nan 8.210 nan 0.000 0.442 150 L N 3.938 125.076 121.223 -0.142 0.000 2.628 150 L HA 0.002 4.342 4.340 -0.000 0.000 0.274 150 L C -1.888 175.034 176.870 0.085 0.000 1.209 150 L CA -0.971 53.842 54.840 -0.046 0.000 0.930 150 L CB -0.617 41.490 42.059 0.080 0.000 1.183 150 L HN -0.072 nan 8.230 nan 0.000 0.492 151 P HA 0.031 nan 4.420 nan 0.000 0.268 151 P C 0.115 177.504 177.300 0.149 0.000 1.205 151 P CA -0.156 62.989 63.100 0.074 0.000 0.771 151 P CB 0.541 32.270 31.700 0.049 0.000 0.858 152 Q N 0.658 120.542 119.800 0.139 0.000 2.437 152 Q HA -0.060 4.280 4.340 -0.000 0.000 0.210 152 Q C 0.341 176.389 176.000 0.079 0.000 0.972 152 Q CA 1.085 57.012 55.803 0.208 0.000 0.903 152 Q CB 0.230 29.015 28.738 0.078 0.000 0.967 152 Q HN 0.562 nan 8.270 nan 0.000 0.486 153 E N -0.676 119.492 120.200 -0.055 0.000 2.380 153 E HA 0.163 4.513 4.350 -0.000 0.000 0.281 153 E C -1.156 175.407 176.600 -0.061 0.000 0.999 153 E CA -0.305 55.916 56.400 -0.299 0.000 0.800 153 E CB 1.716 31.215 29.700 -0.335 0.000 1.228 153 E HN 0.091 nan 8.360 nan 0.000 0.436 154 T N -1.202 113.403 114.554 0.085 0.000 2.804 154 T HA 0.379 4.729 4.350 -0.000 0.000 0.272 154 T C 0.125 175.033 174.700 0.348 0.000 0.986 154 T CA -0.615 61.628 62.100 0.239 0.000 0.999 154 T CB 0.873 69.905 68.868 0.272 0.000 1.307 154 T HN 0.276 nan 8.240 nan 0.000 0.586 155 D N 0.940 121.540 120.400 0.334 0.000 2.358 155 D HA 0.193 4.833 4.640 -0.000 0.000 0.224 155 D C 0.680 177.275 176.300 0.492 0.000 1.123 155 D CA 0.092 54.350 54.000 0.430 0.000 0.833 155 D CB 0.166 41.177 40.800 0.352 0.000 0.946 155 D HN 0.511 nan 8.370 nan 0.000 0.505 156 S N 0.285 116.149 115.700 0.273 0.000 2.563 156 S HA -0.034 4.436 4.470 -0.000 0.000 0.284 156 S C 1.789 176.199 174.600 -0.317 0.000 1.331 156 S CA 0.102 58.264 58.200 -0.064 0.000 1.047 156 S CB 0.881 63.948 63.200 -0.222 0.000 0.859 156 S HN 0.317 nan 8.310 nan 0.000 0.514 157 T N 2.837 116.936 114.554 -0.759 0.000 3.077 157 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 157 T C 1.686 175.964 174.700 -0.704 0.000 1.146 157 T CA 1.254 62.557 62.100 -1.329 0.000 1.091 157 T CB -0.919 67.251 68.868 -1.164 0.000 0.892 157 T HN 0.786 nan 8.240 nan 0.000 0.533 158 I N -2.942 117.277 120.570 -0.584 0.000 2.830 158 I HA 0.101 4.271 4.170 -0.000 0.000 0.263 158 I C 1.577 177.388 176.117 -0.509 0.000 1.230 158 I CA 0.724 61.651 61.300 -0.623 0.000 1.480 158 I CB -0.588 36.969 38.000 -0.739 0.000 1.095 158 I HN 0.141 nan 8.210 nan 0.000 0.455 159 Y N -0.782 119.492 120.300 -0.044 0.000 2.467 159 Y HA 0.227 4.777 4.550 -0.000 0.000 0.250 159 Y C 0.596 176.646 175.900 0.252 0.000 1.155 159 Y CA -1.169 56.992 58.100 0.100 0.000 1.249 159 Y CB 0.080 38.636 38.460 0.160 0.000 1.146 159 Y HN 0.081 nan 8.280 nan 0.000 0.524 160 W N 2.472 123.814 121.300 0.070 0.000 2.170 160 W HA 0.150 4.809 4.660 -0.000 0.000 0.342 160 W C 0.986 177.522 176.519 0.027 0.000 1.294 160 W CA -0.901 56.470 57.345 0.044 0.000 1.246 160 W CB 0.256 29.720 29.460 0.008 0.000 1.156 160 W HN -0.063 nan 8.180 nan 0.000 0.572 161 S N 0.743 116.572 115.700 0.214 0.000 2.634 161 S HA 0.070 4.540 4.470 -0.000 0.000 0.261 161 S C 1.049 175.719 174.600 0.117 0.000 1.271 161 S CA -0.225 58.048 58.200 0.122 0.000 0.985 161 S CB 1.209 64.444 63.200 0.058 0.000 0.968 161 S HN 0.479 nan 8.310 nan 0.000 0.568 162 E N 0.850 121.094 120.200 0.074 0.000 2.077 162 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 162 E C 1.645 178.272 176.600 0.045 0.000 0.989 162 E CA 1.885 58.319 56.400 0.056 0.000 0.800 162 E CB -0.485 29.235 29.700 0.033 0.000 0.746 162 E HN 0.780 nan 8.360 nan 0.000 0.452 163 E N 0.636 120.852 120.200 0.027 0.000 2.031 163 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 163 E C 2.074 178.680 176.600 0.011 0.000 0.994 163 E CA 1.526 57.928 56.400 0.005 0.000 0.800 163 E CB -0.369 29.325 29.700 -0.010 0.000 0.752 163 E HN 0.385 nan 8.360 nan 0.000 0.447 164 E N 0.407 120.609 120.200 0.004 0.000 2.130 164 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 164 E C 1.950 178.664 176.600 0.191 0.000 0.998 164 E CA 0.920 57.294 56.400 -0.043 0.000 0.806 164 E CB -0.197 29.388 29.700 -0.193 0.000 0.738 164 E HN 0.240 nan 8.360 nan 0.000 0.459 165 L N 0.492 121.872 121.223 0.262 0.000 2.313 165 L HA -0.131 4.209 4.340 -0.000 0.000 0.214 165 L C 2.250 179.202 176.870 0.137 0.000 1.119 165 L CA 0.613 55.625 54.840 0.287 0.000 0.809 165 L CB -0.151 42.007 42.059 0.166 0.000 0.933 165 L HN 0.123 nan 8.230 nan 0.000 0.449 166 Q N -0.247 119.584 119.800 0.052 0.000 2.291 166 Q HA -0.227 4.113 4.340 -0.000 0.000 0.205 166 Q C 1.754 177.694 176.000 -0.100 0.000 0.970 166 Q CA 0.963 56.730 55.803 -0.058 0.000 0.876 166 Q CB 0.040 28.720 28.738 -0.098 0.000 0.935 166 Q HN 0.269 nan 8.270 nan 0.000 0.455 167 E N 0.499 120.731 120.200 0.053 0.000 2.338 167 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 167 E C 0.804 177.588 176.600 0.306 0.000 1.007 167 E CA 0.664 57.177 56.400 0.188 0.000 0.849 167 E CB 0.188 29.984 29.700 0.160 0.000 0.774 167 E HN 0.282 nan 8.360 nan 0.000 0.506 168 L N 0.464 121.826 121.223 0.232 0.000 2.818 168 L HA 0.194 4.534 4.340 -0.000 0.000 0.243 168 L C 0.551 177.484 176.870 0.105 0.000 1.185 168 L CA -0.297 54.664 54.840 0.203 0.000 0.988 168 L CB 0.088 42.239 42.059 0.152 0.000 1.292 168 L HN 0.066 nan 8.230 nan 0.000 0.519 169 Q N 0.867 120.709 119.800 0.069 0.000 2.308 169 Q HA 0.009 4.349 4.340 -0.000 0.000 0.313 169 Q C 1.289 177.232 176.000 -0.094 0.000 1.075 169 Q CA 1.256 57.045 55.803 -0.022 0.000 0.995 169 Q CB 0.395 29.075 28.738 -0.097 0.000 1.107 169 Q HN 0.462 nan 8.270 nan 0.000 0.380 170 G N 2.700 111.365 108.800 -0.224 0.000 2.234 170 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 170 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 170 G C 0.117 174.601 174.900 -0.694 0.000 0.987 170 G CA 0.418 45.217 45.100 -0.501 0.000 0.625 170 G HN 1.091 nan 8.290 nan 0.000 0.532 171 S N -0.149 115.332 115.700 -0.365 0.000 2.585 171 S HA 0.464 4.934 4.470 -0.000 0.000 0.273 171 S C 1.175 175.741 174.600 -0.057 0.000 1.339 171 S CA 0.760 58.933 58.200 -0.045 0.000 1.028 171 S CB 1.796 65.080 63.200 0.139 0.000 0.906 171 S HN 0.602 nan 8.310 nan 0.000 0.528 172 Q N 0.489 120.278 119.800 -0.019 0.000 2.119 172 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 172 Q C 1.856 177.746 176.000 -0.182 0.000 0.972 172 Q CA 1.152 56.838 55.803 -0.194 0.000 0.847 172 Q CB -0.291 28.114 28.738 -0.554 0.000 0.903 172 Q HN 0.826 nan 8.270 nan 0.000 0.433 173 L N 0.647 121.784 121.223 -0.144 0.000 2.081 173 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 173 L C 2.039 178.801 176.870 -0.180 0.000 1.080 173 L CA 1.448 56.187 54.840 -0.168 0.000 0.754 173 L CB -0.692 41.281 42.059 -0.143 0.000 0.893 173 L HN 0.383 nan 8.230 nan 0.000 0.433 174 L N -0.230 120.911 121.223 -0.136 0.000 1.976 174 L HA -0.204 4.135 4.340 -0.000 0.000 0.209 174 L C 2.497 179.285 176.870 -0.136 0.000 1.071 174 L CA 1.896 56.656 54.840 -0.133 0.000 0.746 174 L CB -0.909 41.098 42.059 -0.087 0.000 0.890 174 L HN 0.261 nan 8.230 nan 0.000 0.432 175 K N -1.213 119.113 120.400 -0.123 0.000 2.089 175 K HA -0.213 4.106 4.320 -0.000 0.000 0.210 175 K C 1.912 178.434 176.600 -0.131 0.000 1.048 175 K CA 2.139 58.359 56.287 -0.112 0.000 0.926 175 K CB -0.628 31.811 32.500 -0.101 0.000 0.714 175 K HN 0.436 nan 8.250 nan 0.000 0.448 176 T N 0.620 115.075 114.554 -0.164 0.000 2.708 176 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 176 T C 2.190 176.779 174.700 -0.186 0.000 1.037 176 T CA 2.074 64.063 62.100 -0.184 0.000 1.146 176 T CB -0.474 68.266 68.868 -0.213 0.000 0.865 176 T HN 0.558 nan 8.240 nan 0.000 0.435 177 T N 0.835 115.265 114.554 -0.208 0.000 2.746 177 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 177 T C 2.041 176.625 174.700 -0.193 0.000 1.039 177 T CA 1.151 63.111 62.100 -0.233 0.000 1.142 177 T CB -0.994 67.690 68.868 -0.307 0.000 0.866 177 T HN 0.162 nan 8.240 nan 0.000 0.444 178 V N 1.783 121.604 119.914 -0.155 0.000 2.219 178 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 178 V C 3.076 179.119 176.094 -0.085 0.000 1.053 178 V CA 2.305 64.539 62.300 -0.110 0.000 1.009 178 V CB -1.315 30.458 31.823 -0.083 0.000 0.636 178 V HN 0.675 nan 8.190 nan 0.000 0.445 179 S N -0.770 114.880 115.700 -0.085 0.000 2.392 179 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 179 S C 1.875 176.442 174.600 -0.054 0.000 1.041 179 S CA 2.114 60.276 58.200 -0.063 0.000 1.026 179 S CB -0.263 62.884 63.200 -0.088 0.000 0.845 179 S HN 0.323 nan 8.310 nan 0.000 0.465 180 V N 1.109 120.961 119.914 -0.105 0.000 2.407 180 V HA -0.034 4.086 4.120 -0.000 0.000 0.245 180 V C 2.480 178.521 176.094 -0.089 0.000 1.041 180 V CA 1.659 63.890 62.300 -0.115 0.000 1.040 180 V CB -0.504 31.224 31.823 -0.158 0.000 0.671 180 V HN 0.430 nan 8.190 nan 0.000 0.455 181 K N -0.072 120.264 120.400 -0.107 0.000 2.057 181 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 181 K C 2.203 178.888 176.600 0.141 0.000 1.049 181 K CA 1.954 58.216 56.287 -0.040 0.000 0.931 181 K CB -0.133 32.241 32.500 -0.209 0.000 0.714 181 K HN 0.534 nan 8.250 nan 0.000 0.440 182 E N 0.031 120.266 120.200 0.058 0.000 2.031 182 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 182 E C 1.971 178.593 176.600 0.037 0.000 0.994 182 E CA 1.295 57.727 56.400 0.054 0.000 0.800 182 E CB -0.214 29.505 29.700 0.032 0.000 0.752 182 E HN 0.298 nan 8.360 nan 0.000 0.447 183 Y N 0.670 120.936 120.300 -0.056 0.000 2.114 183 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 183 Y C 2.107 177.972 175.900 -0.058 0.000 1.165 183 Y CA 1.825 59.893 58.100 -0.054 0.000 1.148 183 Y CB -0.322 38.101 38.460 -0.061 0.000 0.972 183 Y HN -0.052 nan 8.280 nan 0.000 0.504 184 V N 0.915 120.840 119.914 0.019 0.000 2.490 184 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 184 V C 2.403 178.318 176.094 -0.299 0.000 1.061 184 V CA 2.187 64.420 62.300 -0.112 0.000 1.064 184 V CB -0.671 30.976 31.823 -0.293 0.000 0.670 184 V HN 0.374 nan 8.190 nan 0.000 0.461 185 K N 0.493 120.769 120.400 -0.206 0.000 1.984 185 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 185 K C 2.069 178.466 176.600 -0.337 0.000 1.046 185 K CA 1.789 57.906 56.287 -0.284 0.000 0.934 185 K CB -0.205 32.257 32.500 -0.064 0.000 0.717 185 K HN 0.428 nan 8.250 nan 0.000 0.438 186 N N 1.257 119.793 118.700 -0.272 0.000 2.166 186 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 186 N C 1.501 176.785 175.510 -0.376 0.000 1.019 186 N CA 1.054 53.935 53.050 -0.281 0.000 0.856 186 N CB -0.218 38.128 38.487 -0.235 0.000 0.993 186 N HN 0.294 nan 8.380 nan 0.000 0.426 187 E N -0.015 119.891 120.200 -0.490 0.000 2.338 187 E HA -0.015 4.335 4.350 -0.000 0.000 0.197 187 E C 1.438 177.715 176.600 -0.538 0.000 1.007 187 E CA 0.272 56.367 56.400 -0.508 0.000 0.849 187 E CB -0.088 29.285 29.700 -0.544 0.000 0.774 187 E HN 0.380 nan 8.360 nan 0.000 0.506 188 C N -0.333 118.554 119.300 -0.688 0.000 2.865 188 C HA 0.225 4.685 4.460 -0.000 0.000 0.280 188 C C 2.431 176.943 174.990 -0.797 0.000 1.255 188 C CA -0.311 58.014 59.018 -1.156 0.000 1.705 188 C CB -0.418 26.032 27.740 -2.151 0.000 2.080 188 C HN 0.324 nan 8.230 nan 0.000 0.591 189 L N 0.695 121.634 121.223 -0.472 0.000 2.341 189 L HA 0.018 4.358 4.340 -0.000 0.000 0.214 189 L C 2.529 179.282 176.870 -0.194 0.000 1.115 189 L CA 1.036 55.731 54.840 -0.242 0.000 0.820 189 L CB -0.495 41.454 42.059 -0.183 0.000 0.944 189 L HN 0.326 nan 8.230 nan 0.000 0.452 190 K N 0.714 120.969 120.400 -0.242 0.000 2.167 190 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 190 K C 2.031 178.527 176.600 -0.173 0.000 1.052 190 K CA 0.748 56.921 56.287 -0.190 0.000 0.956 190 K CB 0.194 32.566 32.500 -0.213 0.000 0.735 190 K HN 0.249 nan 8.250 nan 0.000 0.451 191 L N 0.379 121.471 121.223 -0.217 0.000 2.179 191 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 191 L C 2.426 179.226 176.870 -0.116 0.000 1.096 191 L CA 0.854 55.596 54.840 -0.164 0.000 0.779 191 L CB -0.298 41.658 42.059 -0.173 0.000 0.922 191 L HN 0.304 nan 8.230 nan 0.000 0.443 192 E N 0.458 120.610 120.200 -0.080 0.000 2.106 192 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 192 E C 1.990 178.547 176.600 -0.071 0.000 0.984 192 E CA 1.174 57.545 56.400 -0.048 0.000 0.806 192 E CB 0.152 29.860 29.700 0.014 0.000 0.750 192 E HN 0.555 nan 8.360 nan 0.000 0.458 193 Q N -0.661 119.098 119.800 -0.070 0.000 2.402 193 Q HA -0.008 4.332 4.340 -0.000 0.000 0.206 193 Q C 1.405 177.379 176.000 -0.044 0.000 0.919 193 Q CA 0.576 56.348 55.803 -0.052 0.000 0.923 193 Q CB 0.482 29.188 28.738 -0.053 0.000 1.048 193 Q HN 0.304 nan 8.270 nan 0.000 0.515 194 E N -0.577 119.590 120.200 -0.055 0.000 2.340 194 E HA 0.037 4.387 4.350 -0.000 0.000 0.198 194 E C 0.813 177.404 176.600 -0.015 0.000 0.961 194 E CA 0.440 56.818 56.400 -0.038 0.000 0.905 194 E CB 0.642 30.311 29.700 -0.052 0.000 0.884 194 E HN 0.171 nan 8.360 nan 0.000 0.491 195 I N -0.554 119.997 120.570 -0.030 0.000 4.046 195 I HA 0.016 4.186 4.170 -0.000 0.000 0.285 195 I C 1.733 177.862 176.117 0.020 0.000 1.183 195 I CA 0.154 61.470 61.300 0.027 0.000 1.337 195 I CB 0.202 38.220 38.000 0.030 0.000 1.478 195 I HN -0.040 nan 8.210 nan 0.000 0.452 196 I N 0.527 120.952 120.570 -0.242 0.000 2.133 196 I HA -0.252 3.918 4.170 -0.000 0.000 0.238 196 I C 2.333 178.428 176.117 -0.037 0.000 1.074 196 I CA 1.697 62.725 61.300 -0.452 0.000 1.342 196 I CB -0.414 37.276 38.000 -0.516 0.000 1.053 196 I HN 0.128 nan 8.210 nan 0.000 0.404 197 L N 0.511 121.713 121.223 -0.035 0.000 2.005 197 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 197 L C -0.272 176.626 176.870 0.046 0.000 1.072 197 L CA 1.473 56.319 54.840 0.011 0.000 0.744 197 L CB -1.905 40.148 42.059 -0.010 0.000 0.895 197 L HN 0.159 nan 8.230 nan 0.000 0.433 198 P HA -0.101 nan 4.420 nan 0.000 0.229 198 P C 0.065 177.412 177.300 0.079 0.000 1.150 198 P CA 1.210 64.340 63.100 0.050 0.000 0.765 198 P CB 0.061 31.784 31.700 0.039 0.000 0.783 199 N N -0.651 118.133 118.700 0.140 0.000 2.610 199 N HA 0.039 4.779 4.740 -0.000 0.000 0.307 199 N C 0.931 176.542 175.510 0.169 0.000 1.813 199 N CA -0.103 53.039 53.050 0.152 0.000 0.901 199 N CB 0.503 39.111 38.487 0.201 0.000 1.354 199 N HN 0.275 nan 8.380 nan 0.000 0.491 200 K N 0.179 120.651 120.400 0.120 0.000 2.374 200 K HA -0.231 4.089 4.320 -0.000 0.000 0.202 200 K C 1.695 178.324 176.600 0.049 0.000 1.044 200 K CA 0.940 57.285 56.287 0.096 0.000 0.933 200 K CB 0.243 32.773 32.500 0.050 0.000 0.745 200 K HN 0.188 nan 8.250 nan 0.000 0.474 201 R N 1.069 121.577 120.500 0.012 0.000 2.057 201 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 201 R C 2.095 178.335 176.300 -0.101 0.000 1.136 201 R CA 0.995 57.074 56.100 -0.036 0.000 0.952 201 R CB -0.168 30.109 30.300 -0.038 0.000 0.848 201 R HN 0.139 nan 8.270 nan 0.000 0.430 202 L N -0.026 121.083 121.223 -0.190 0.000 2.093 202 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 202 L C 0.582 177.102 176.870 -0.584 0.000 1.085 202 L CA 1.369 55.943 54.840 -0.444 0.000 0.755 202 L CB -0.225 41.426 42.059 -0.679 0.000 0.904 202 L HN 0.070 nan 8.230 nan 0.000 0.435 203 F N -0.700 119.227 119.950 -0.038 0.000 2.334 203 F HA 0.314 4.840 4.527 -0.000 0.000 0.343 203 F C -1.349 174.415 175.800 -0.059 0.000 1.136 203 F CA -2.006 55.961 58.000 -0.055 0.000 1.237 203 F CB -0.083 38.886 39.000 -0.052 0.000 1.525 203 F HN -0.106 nan 8.300 nan 0.000 0.528 204 P HA -0.169 nan 4.420 nan 0.000 0.202 204 P C 0.076 177.382 177.300 0.009 0.000 1.121 204 P CA 1.318 64.420 63.100 0.003 0.000 0.939 204 P CB 0.158 31.838 31.700 -0.033 0.000 0.761 205 D N -0.205 120.185 120.400 -0.016 0.000 2.364 205 D HA 0.068 4.708 4.640 -0.000 0.000 0.236 205 D C -2.027 174.252 176.300 -0.036 0.000 1.221 205 D CA -0.429 53.550 54.000 -0.036 0.000 0.891 205 D CB -0.854 39.907 40.800 -0.065 0.000 1.190 205 D HN 0.092 nan 8.370 nan 0.000 0.449 206 P HA 0.138 nan 4.420 nan 0.000 0.274 206 P C -0.731 176.501 177.300 -0.113 0.000 1.231 206 P CA -0.381 62.680 63.100 -0.065 0.000 0.790 206 P CB 0.773 32.441 31.700 -0.053 0.000 0.951 207 V N 2.056 121.878 119.914 -0.152 0.000 2.378 207 V HA 0.391 4.511 4.120 -0.000 0.000 0.288 207 V C 0.542 176.507 176.094 -0.214 0.000 1.016 207 V CA -0.448 61.688 62.300 -0.273 0.000 0.840 207 V CB 1.104 32.649 31.823 -0.464 0.000 0.994 207 V HN 0.705 nan 8.190 nan 0.000 0.431 208 T N 1.934 116.382 114.554 -0.177 0.000 2.923 208 T HA 0.589 4.939 4.350 -0.000 0.000 0.281 208 T C 1.194 175.900 174.700 0.010 0.000 0.995 208 T CA -0.717 61.353 62.100 -0.051 0.000 0.985 208 T CB 1.368 70.225 68.868 -0.019 0.000 1.114 208 T HN 0.249 nan 8.240 nan 0.000 0.548 209 L N 0.093 121.382 121.223 0.110 0.000 2.042 209 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 209 L C 2.246 179.212 176.870 0.161 0.000 1.076 209 L CA 1.661 56.571 54.840 0.116 0.000 0.749 209 L CB -0.742 41.359 42.059 0.071 0.000 0.893 209 L HN 0.728 nan 8.230 nan 0.000 0.432 210 D N -0.242 120.283 120.400 0.208 0.000 2.265 210 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 210 D C 1.690 178.142 176.300 0.254 0.000 0.977 210 D CA 0.996 55.165 54.000 0.282 0.000 0.871 210 D CB -0.041 40.864 40.800 0.174 0.000 0.925 210 D HN 0.349 nan 8.370 nan 0.000 0.485 211 D N -0.870 119.586 120.400 0.094 0.000 2.162 211 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 211 D C 1.850 178.247 176.300 0.162 0.000 0.964 211 D CA 0.425 54.433 54.000 0.014 0.000 0.847 211 D CB -0.226 40.432 40.800 -0.237 0.000 0.988 211 D HN 0.261 nan 8.370 nan 0.000 0.480 212 F N 0.736 120.744 119.950 0.096 0.000 2.051 212 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 212 F C 2.410 178.355 175.800 0.243 0.000 1.122 212 F CA 1.008 59.044 58.000 0.061 0.000 1.201 212 F CB -0.618 38.246 39.000 -0.226 0.000 0.978 212 F HN -0.112 nan 8.300 nan 0.000 0.472 213 F N -1.366 118.886 119.950 0.503 0.000 2.154 213 F HA -0.303 4.224 4.527 -0.000 0.000 0.301 213 F C 2.293 178.435 175.800 0.570 0.000 1.087 213 F CA 1.044 59.322 58.000 0.464 0.000 1.274 213 F CB -0.676 38.556 39.000 0.385 0.000 1.009 213 F HN 0.164 nan 8.300 nan 0.000 0.485 214 W N 1.164 122.786 121.300 0.537 0.000 2.335 214 W HA -0.236 4.424 4.660 -0.000 0.000 0.311 214 W C 2.334 179.056 176.519 0.339 0.000 1.213 214 W CA 1.994 59.567 57.345 0.381 0.000 1.274 214 W CB -0.525 29.040 29.460 0.176 0.000 1.148 214 W HN -0.060 nan 8.180 nan 0.000 0.498 215 A N -0.091 122.972 122.820 0.405 0.000 1.854 215 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 215 A C 1.959 179.621 177.584 0.130 0.000 1.192 215 A CA 1.413 53.512 52.037 0.103 0.000 0.611 215 A CB -1.624 17.638 19.000 0.437 0.000 0.832 215 A HN 0.498 nan 8.150 nan 0.000 0.442 216 F N 1.498 121.575 119.950 0.213 0.000 2.236 216 F HA -0.098 4.429 4.527 -0.000 0.000 0.302 216 F C 2.073 177.895 175.800 0.036 0.000 1.073 216 F CA 1.230 59.340 58.000 0.184 0.000 1.336 216 F CB -0.496 38.675 39.000 0.286 0.000 1.040 216 F HN 0.181 nan 8.300 nan 0.000 0.507 217 G N 0.766 109.573 108.800 0.011 0.000 2.425 217 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.213 217 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.213 217 G C 1.629 176.385 174.900 -0.241 0.000 1.201 217 G CA 0.737 45.759 45.100 -0.129 0.000 0.799 217 G HN 0.283 nan 8.290 nan 0.000 0.534 218 I N 0.776 121.152 120.570 -0.323 0.000 2.236 218 I HA -0.154 4.016 4.170 -0.000 0.000 0.249 218 I C 2.646 178.616 176.117 -0.244 0.000 1.102 218 I CA 0.975 62.064 61.300 -0.352 0.000 1.365 218 I CB -0.962 36.665 38.000 -0.622 0.000 1.051 218 I HN 0.143 nan 8.210 nan 0.000 0.420 219 L N 1.081 122.160 121.223 -0.239 0.000 1.988 219 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 219 L C 2.750 179.443 176.870 -0.295 0.000 1.071 219 L CA 1.789 56.512 54.840 -0.196 0.000 0.744 219 L CB -0.718 41.275 42.059 -0.110 0.000 0.893 219 L HN 0.078 nan 8.230 nan 0.000 0.433 220 R N -0.943 119.277 120.500 -0.468 0.000 2.285 220 R HA -0.070 4.270 4.340 -0.000 0.000 0.213 220 R C 1.688 177.661 176.300 -0.545 0.000 1.068 220 R CA 1.139 56.898 56.100 -0.568 0.000 1.004 220 R CB -0.077 29.707 30.300 -0.860 0.000 0.873 220 R HN 0.654 nan 8.270 nan 0.000 0.467 221 S N -1.675 113.793 115.700 -0.387 0.000 2.523 221 S HA 0.193 4.663 4.470 -0.000 0.000 0.217 221 S C 1.341 175.888 174.600 -0.088 0.000 0.996 221 S CA -0.633 57.423 58.200 -0.240 0.000 0.921 221 S CB 0.501 63.654 63.200 -0.078 0.000 0.829 221 S HN 0.320 nan 8.310 nan 0.000 0.495 222 R N 0.460 120.842 120.500 -0.197 0.000 2.507 222 R HA 0.453 4.793 4.340 -0.000 0.000 0.230 222 R C 0.421 176.498 176.300 -0.371 0.000 0.897 222 R CA 0.417 56.377 56.100 -0.235 0.000 1.006 222 R CB 0.351 30.601 30.300 -0.084 0.000 1.341 222 R HN 0.333 nan 8.270 nan 0.000 0.604 223 A N 1.839 124.492 122.820 -0.279 0.000 2.520 223 A HA 0.253 4.573 4.320 -0.000 0.000 0.245 223 A C -0.611 176.808 177.584 -0.275 0.000 1.072 223 A CA 0.219 52.130 52.037 -0.209 0.000 0.761 223 A CB -0.246 18.664 19.000 -0.150 0.000 1.004 223 A HN 0.118 nan 8.150 nan 0.000 0.499 224 F N 2.637 122.418 119.950 -0.282 0.000 2.375 224 F HA 0.273 4.800 4.527 -0.000 0.000 0.362 224 F C 1.542 177.293 175.800 -0.082 0.000 1.129 224 F CA 0.187 58.032 58.000 -0.258 0.000 1.154 224 F CB 1.167 39.778 39.000 -0.649 0.000 1.205 224 F HN 0.649 nan 8.300 nan 0.000 0.513 225 S N 2.106 117.913 115.700 0.178 0.000 2.497 225 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 225 S C 1.847 176.600 174.600 0.256 0.000 1.037 225 S CA -0.207 58.090 58.200 0.161 0.000 0.920 225 S CB -0.208 63.033 63.200 0.068 0.000 0.800 225 S HN 0.617 nan 8.310 nan 0.000 0.505 226 R N 0.453 121.175 120.500 0.370 0.000 2.397 226 R HA 0.109 4.449 4.340 -0.000 0.000 0.213 226 R C 0.089 176.620 176.300 0.385 0.000 1.102 226 R CA 0.034 56.335 56.100 0.335 0.000 1.040 226 R CB -0.569 29.903 30.300 0.286 0.000 0.844 226 R HN 0.391 nan 8.270 nan 0.000 0.478 227 L N 1.228 122.737 121.223 0.477 0.000 2.439 227 L HA 0.122 4.462 4.340 -0.000 0.000 0.269 227 L C -0.048 176.943 176.870 0.201 0.000 1.179 227 L CA 0.212 55.286 54.840 0.391 0.000 0.828 227 L CB 0.787 43.096 42.059 0.417 0.000 1.106 227 L HN -0.135 nan 8.230 nan 0.000 0.467 228 R N 4.104 124.676 120.500 0.120 0.000 2.234 228 R HA 0.227 4.567 4.340 -0.000 0.000 0.324 228 R C 0.141 176.499 176.300 0.098 0.000 1.054 228 R CA 0.229 56.381 56.100 0.087 0.000 0.912 228 R CB -0.237 30.084 30.300 0.036 0.000 1.030 228 R HN 0.837 nan 8.270 nan 0.000 0.455 229 N N 1.647 120.399 118.700 0.088 0.000 2.965 229 N HA -0.169 4.571 4.740 -0.000 0.000 0.232 229 N C -1.037 174.523 175.510 0.083 0.000 0.913 229 N CA 1.093 54.191 53.050 0.079 0.000 0.981 229 N CB -0.303 38.230 38.487 0.077 0.000 1.077 229 N HN 0.607 nan 8.380 nan 0.000 0.589 230 E N 0.382 120.641 120.200 0.099 0.000 2.502 230 E HA 0.276 4.626 4.350 -0.000 0.000 0.261 230 E C -0.453 176.200 176.600 0.088 0.000 0.974 230 E CA -0.244 56.210 56.400 0.090 0.000 0.795 230 E CB -0.023 29.741 29.700 0.108 0.000 1.385 230 E HN 0.225 nan 8.360 nan 0.000 0.400 231 N N 2.325 121.068 118.700 0.072 0.000 2.327 231 N HA 0.254 4.994 4.740 -0.000 0.000 0.231 231 N C -0.505 175.033 175.510 0.046 0.000 1.130 231 N CA 0.124 53.217 53.050 0.072 0.000 0.845 231 N CB 0.663 39.190 38.487 0.066 0.000 1.073 231 N HN 0.232 nan 8.380 nan 0.000 0.496 232 L N 1.145 122.381 121.223 0.023 0.000 3.007 232 L HA 0.206 4.546 4.340 -0.000 0.000 0.237 232 L C -1.765 175.067 176.870 -0.063 0.000 0.965 232 L CA -0.335 54.499 54.840 -0.010 0.000 1.116 232 L CB 1.255 43.325 42.059 0.018 0.000 1.491 232 L HN -0.179 nan 8.230 nan 0.000 0.565 233 V N 2.811 122.650 119.914 -0.125 0.000 2.709 233 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 233 V C -0.353 175.561 176.094 -0.299 0.000 1.062 233 V CA -0.712 61.413 62.300 -0.292 0.000 0.901 233 V CB 2.660 34.147 31.823 -0.560 0.000 1.003 233 V HN 0.207 nan 8.190 nan 0.000 0.425 234 V N 5.130 124.835 119.914 -0.348 0.000 2.334 234 V HA 0.393 4.513 4.120 -0.000 0.000 0.281 234 V C -0.271 175.534 176.094 -0.481 0.000 1.016 234 V CA -0.458 61.667 62.300 -0.291 0.000 0.832 234 V CB 1.718 33.395 31.823 -0.244 0.000 0.999 234 V HN 0.624 nan 8.190 nan 0.000 0.439 235 V N 8.296 127.915 119.914 -0.491 0.000 2.293 235 V HA 0.244 4.364 4.120 -0.000 0.000 0.275 235 V C -1.417 174.566 176.094 -0.185 0.000 1.021 235 V CA -1.468 60.468 62.300 -0.606 0.000 0.815 235 V CB 1.354 32.392 31.823 -1.307 0.000 1.025 235 V HN 0.630 nan 8.190 nan 0.000 0.448 236 P HA -0.280 nan 4.420 nan 0.000 0.220 236 P C 1.730 179.357 177.300 0.545 0.000 1.155 236 P CA 1.673 64.863 63.100 0.150 0.000 0.880 236 P CB 0.212 32.011 31.700 0.165 0.000 0.790 237 M N -0.583 119.238 119.600 0.369 0.000 2.073 237 M HA 0.053 4.533 4.480 -0.000 0.000 0.259 237 M C 1.848 178.368 176.300 0.366 0.000 1.079 237 M CA 2.054 57.599 55.300 0.409 0.000 1.131 237 M CB -1.223 31.519 32.600 0.237 0.000 1.316 237 M HN -0.173 nan 8.290 nan 0.000 0.415 238 A N -0.797 122.182 122.820 0.265 0.000 2.248 238 A HA -0.091 4.229 4.320 -0.000 0.000 0.210 238 A C 1.448 179.347 177.584 0.524 0.000 1.174 238 A CA 1.506 53.744 52.037 0.334 0.000 0.750 238 A CB -1.217 17.914 19.000 0.219 0.000 0.780 238 A HN 0.651 nan 8.150 nan 0.000 0.478 239 D N -0.736 119.923 120.400 0.433 0.000 2.363 239 D HA 0.067 4.707 4.640 -0.000 0.000 0.226 239 D C 1.329 177.796 176.300 0.278 0.000 1.020 239 D CA 0.622 54.852 54.000 0.383 0.000 0.892 239 D CB -0.005 41.027 40.800 0.386 0.000 0.900 239 D HN 0.481 nan 8.370 nan 0.000 0.531 240 L N -0.265 121.130 121.223 0.287 0.000 2.664 240 L HA 0.284 4.624 4.340 -0.000 0.000 0.233 240 L C 0.489 177.472 176.870 0.188 0.000 1.113 240 L CA -0.137 54.827 54.840 0.207 0.000 0.896 240 L CB 0.510 42.686 42.059 0.196 0.000 1.163 240 L HN -0.072 nan 8.230 nan 0.000 0.497 241 I N 1.509 122.226 120.570 0.245 0.000 2.452 241 I HA 0.012 4.182 4.170 -0.000 0.000 0.287 241 I C 0.160 176.447 176.117 0.284 0.000 1.079 241 I CA 0.040 61.467 61.300 0.213 0.000 1.387 241 I CB 0.261 38.423 38.000 0.270 0.000 1.404 241 I HN 0.224 nan 8.210 nan 0.000 0.522 242 N N 4.374 123.171 118.700 0.162 0.000 2.379 242 N HA 0.161 4.901 4.740 -0.000 0.000 0.260 242 N C -0.403 175.177 175.510 0.118 0.000 1.254 242 N CA -0.437 52.727 53.050 0.190 0.000 0.958 242 N CB 0.631 39.196 38.487 0.131 0.000 1.208 242 N HN 0.531 nan 8.380 nan 0.000 0.532 243 H N -0.993 117.765 119.070 -0.520 0.000 2.482 243 H HA 0.426 4.982 4.556 -0.000 0.000 0.344 243 H C -0.820 174.167 175.328 -0.567 0.000 1.151 243 H CA -0.088 55.454 56.048 -0.843 0.000 1.300 243 H CB 0.775 29.587 29.762 -1.584 0.000 1.494 243 H HN 0.327 nan 8.280 nan 0.000 0.542 244 S N 2.600 117.508 115.700 -1.321 0.000 2.566 244 S HA 0.476 4.946 4.470 -0.000 0.000 0.273 244 S C 0.402 174.446 174.600 -0.927 0.000 1.157 244 S CA -0.131 57.392 58.200 -1.128 0.000 0.938 244 S CB 0.786 63.297 63.200 -1.149 0.000 1.087 244 S HN 0.951 nan 8.310 nan 0.000 0.474 245 A N 3.530 125.986 122.820 -0.606 0.000 2.216 245 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 245 A C 1.910 179.346 177.584 -0.247 0.000 1.160 245 A CA 1.571 53.424 52.037 -0.307 0.000 0.725 245 A CB -0.990 17.915 19.000 -0.159 0.000 0.784 245 A HN 1.150 nan 8.150 nan 0.000 0.472 246 G N -0.544 108.072 108.800 -0.307 0.000 2.422 246 G HA2 0.112 4.072 3.960 -0.000 0.000 0.218 246 G HA3 0.112 4.072 3.960 -0.000 0.000 0.218 246 G C 0.620 175.434 174.900 -0.144 0.000 1.140 246 G CA 0.838 45.817 45.100 -0.202 0.000 0.775 246 G HN 0.296 nan 8.290 nan 0.000 0.545 247 V N 1.610 121.422 119.914 -0.171 0.000 2.455 247 V HA 0.368 4.488 4.120 -0.000 0.000 0.273 247 V C 1.169 177.222 176.094 -0.068 0.000 1.045 247 V CA 0.820 63.066 62.300 -0.090 0.000 0.976 247 V CB 1.153 32.937 31.823 -0.065 0.000 0.993 247 V HN 0.386 nan 8.190 nan 0.000 0.475 248 T N -1.138 113.392 114.554 -0.040 0.000 3.058 248 T HA 0.032 4.382 4.350 -0.000 0.000 0.278 248 T C 1.163 175.852 174.700 -0.020 0.000 0.974 248 T CA 0.391 62.475 62.100 -0.026 0.000 0.893 248 T CB 0.408 69.259 68.868 -0.030 0.000 1.138 248 T HN 0.513 nan 8.240 nan 0.000 0.529 249 T N 1.430 115.973 114.554 -0.019 0.000 2.814 249 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 249 T C 0.753 175.430 174.700 -0.038 0.000 1.037 249 T CA 0.888 62.973 62.100 -0.026 0.000 1.143 249 T CB -0.105 68.750 68.868 -0.021 0.000 0.866 249 T HN 0.695 nan 8.240 nan 0.000 0.431 250 E N 0.463 120.647 120.200 -0.026 0.000 3.454 250 E HA -0.294 4.056 4.350 -0.000 0.000 0.262 250 E C -0.783 175.736 176.600 -0.136 0.000 1.466 250 E CA 0.939 57.316 56.400 -0.039 0.000 2.118 250 E CB -1.059 28.629 29.700 -0.020 0.000 2.041 250 E HN 0.370 nan 8.360 nan 0.000 0.490 251 D N 0.466 120.727 120.400 -0.230 0.000 3.508 251 D HA -0.189 4.451 4.640 -0.000 0.000 0.232 251 D C -0.893 174.943 176.300 -0.774 0.000 1.131 251 D CA 2.097 55.761 54.000 -0.560 0.000 1.040 251 D CB -1.483 39.041 40.800 -0.460 0.000 0.879 251 D HN 0.800 nan 8.370 nan 0.000 0.407 252 H N -0.914 117.993 119.070 -0.272 0.000 2.309 252 H HA -0.100 4.456 4.556 -0.000 0.000 0.291 252 H C 0.995 176.062 175.328 -0.436 0.000 0.807 252 H CA 0.669 56.329 56.048 -0.647 0.000 0.956 252 H CB -1.283 27.979 29.762 -0.834 0.000 1.545 252 H HN 0.350 nan 8.280 nan 0.000 0.284 253 A N 2.878 125.621 122.820 -0.129 0.000 2.209 253 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 253 A C 0.465 178.048 177.584 -0.002 0.000 1.158 253 A CA 0.860 52.902 52.037 0.009 0.000 0.742 253 A CB -0.444 18.623 19.000 0.112 0.000 0.790 253 A HN 0.772 nan 8.150 nan 0.000 0.472 254 Y N -1.945 118.348 120.300 -0.012 0.000 2.487 254 Y HA 0.778 5.328 4.550 -0.000 0.000 0.337 254 Y C -0.345 175.348 175.900 -0.345 0.000 1.076 254 Y CA -1.816 56.092 58.100 -0.320 0.000 1.115 254 Y CB 0.968 39.068 38.460 -0.600 0.000 1.235 254 Y HN 0.184 nan 8.280 nan 0.000 0.468 255 E N 1.638 121.660 120.200 -0.298 0.000 2.343 255 E HA 0.504 4.854 4.350 -0.000 0.000 0.278 255 E C -1.754 174.772 176.600 -0.124 0.000 0.910 255 E CA -1.210 55.062 56.400 -0.214 0.000 0.757 255 E CB 2.670 32.261 29.700 -0.181 0.000 1.218 255 E HN 0.779 nan 8.360 nan 0.000 0.435 256 V N 2.308 122.238 119.914 0.027 0.000 2.397 256 V HA 0.463 4.583 4.120 -0.000 0.000 0.262 256 V C 0.137 176.324 176.094 0.155 0.000 1.047 256 V CA -0.009 62.414 62.300 0.205 0.000 1.003 256 V CB -0.218 31.769 31.823 0.273 0.000 1.037 256 V HN 0.705 nan 8.190 nan 0.000 0.480 267 Y N -0.590 119.651 120.300 -0.098 0.000 2.689 267 Y HA 0.718 5.268 4.550 -0.000 0.000 0.333 267 Y C -1.398 174.511 175.900 0.015 0.000 1.208 267 Y CA -0.712 57.360 58.100 -0.047 0.000 1.055 267 Y CB 1.456 39.848 38.460 -0.113 0.000 1.304 267 Y HN 0.350 nan 8.280 nan 0.000 0.455 268 L N 0.632 122.035 121.223 0.300 0.000 2.568 268 L HA 0.489 4.829 4.340 -0.000 0.000 0.257 268 L C -1.846 175.364 176.870 0.566 0.000 1.024 268 L CA -0.876 54.182 54.840 0.363 0.000 0.854 268 L CB 2.079 44.234 42.059 0.161 0.000 1.460 268 L HN 0.506 nan 8.230 nan 0.000 0.409 269 F N 1.475 121.618 119.950 0.322 0.000 2.449 269 F HA 0.459 4.986 4.527 -0.000 0.000 0.344 269 F C 0.184 176.006 175.800 0.036 0.000 1.180 269 F CA -0.421 57.630 58.000 0.085 0.000 1.209 269 F CB 0.952 39.818 39.000 -0.225 0.000 1.440 269 F HN 0.328 nan 8.300 nan 0.000 0.526 270 S N 4.795 120.423 115.700 -0.119 0.000 2.455 270 S HA 0.430 4.900 4.470 -0.000 0.000 0.278 270 S C -0.761 173.712 174.600 -0.211 0.000 1.216 270 S CA -0.385 57.755 58.200 -0.101 0.000 1.055 270 S CB 0.041 63.208 63.200 -0.055 0.000 0.939 270 S HN 0.546 nan 8.310 nan 0.000 0.494 271 L N 7.276 128.423 121.223 -0.127 0.000 2.319 271 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 271 L C -0.523 176.352 176.870 0.008 0.000 1.005 271 L CA -0.375 54.421 54.840 -0.073 0.000 0.828 271 L CB 1.215 43.268 42.059 -0.010 0.000 1.227 271 L HN 0.662 nan 8.230 nan 0.000 0.415 272 K N 2.715 123.124 120.400 0.014 0.000 2.213 272 K HA 0.503 4.823 4.320 -0.000 0.000 0.270 272 K C -0.177 176.455 176.600 0.052 0.000 1.002 272 K CA -0.447 55.857 56.287 0.027 0.000 0.868 272 K CB 1.534 34.040 32.500 0.009 0.000 1.093 272 K HN 0.504 nan 8.250 nan 0.000 0.454 273 S N 3.825 119.559 115.700 0.056 0.000 2.515 273 S HA 0.061 4.531 4.470 -0.000 0.000 0.285 273 S C -1.163 173.469 174.600 0.052 0.000 1.265 273 S CA -1.292 56.947 58.200 0.065 0.000 1.079 273 S CB 0.386 63.620 63.200 0.057 0.000 0.877 273 S HN 0.665 nan 8.310 nan 0.000 0.493 274 P HA 0.092 nan 4.420 nan 0.000 0.229 274 P C -0.216 177.102 177.300 0.031 0.000 1.160 274 P CA 0.599 63.723 63.100 0.040 0.000 0.777 274 P CB 0.115 31.842 31.700 0.045 0.000 0.814 275 L N -0.958 120.289 121.223 0.040 0.000 2.354 275 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 275 L C 0.137 177.027 176.870 0.032 0.000 1.008 275 L CA -1.021 53.838 54.840 0.031 0.000 0.819 275 L CB 2.073 44.153 42.059 0.036 0.000 1.339 275 L HN -0.362 nan 8.230 nan 0.000 0.420 276 S N 1.490 117.204 115.700 0.023 0.000 2.443 276 S HA 0.284 4.754 4.470 -0.000 0.000 0.284 276 S C -0.145 174.470 174.600 0.026 0.000 1.206 276 S CA -0.444 57.769 58.200 0.022 0.000 1.074 276 S CB 0.397 63.605 63.200 0.015 0.000 0.963 276 S HN 0.278 nan 8.310 nan 0.000 0.501 277 V N 5.474 125.405 119.914 0.028 0.000 2.357 277 V HA 0.282 4.402 4.120 -0.000 0.000 0.284 277 V C 0.310 176.418 176.094 0.022 0.000 1.018 277 V CA -0.893 61.424 62.300 0.029 0.000 0.841 277 V CB 1.276 33.117 31.823 0.029 0.000 0.991 277 V HN 0.714 nan 8.190 nan 0.000 0.437 278 K N 2.691 123.103 120.400 0.020 0.000 2.219 278 K HA 0.581 4.901 4.320 -0.000 0.000 0.258 278 K C 0.551 177.160 176.600 0.015 0.000 1.008 278 K CA -0.193 56.104 56.287 0.016 0.000 0.928 278 K CB 0.599 33.108 32.500 0.014 0.000 0.983 278 K HN 0.827 nan 8.250 nan 0.000 0.484 279 A N 1.172 124.001 122.820 0.015 0.000 2.545 279 A HA 0.319 4.639 4.320 -0.000 0.000 0.253 279 A C 1.190 178.781 177.584 0.011 0.000 1.074 279 A CA 0.936 52.982 52.037 0.015 0.000 0.760 279 A CB -1.103 17.907 19.000 0.016 0.000 1.005 279 A HN 0.907 nan 8.150 nan 0.000 0.506 280 G N 1.947 110.752 108.800 0.007 0.000 2.213 280 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.226 280 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.226 280 G C -0.015 174.881 174.900 -0.006 0.000 0.992 280 G CA 0.239 45.340 45.100 0.001 0.000 0.632 280 G HN 0.818 nan 8.290 nan 0.000 0.511 281 E N 0.773 120.971 120.200 -0.002 0.000 2.277 281 E HA 0.447 4.797 4.350 -0.000 0.000 0.274 281 E C 0.261 176.838 176.600 -0.039 0.000 1.022 281 E CA -0.585 55.813 56.400 -0.003 0.000 0.853 281 E CB 1.239 30.951 29.700 0.020 0.000 1.086 281 E HN 0.425 nan 8.360 nan 0.000 0.397 282 Q N 1.580 121.328 119.800 -0.086 0.000 2.364 282 Q HA 0.128 4.468 4.340 -0.000 0.000 0.267 282 Q C -0.901 174.914 176.000 -0.308 0.000 0.999 282 Q CA -0.352 55.298 55.803 -0.255 0.000 0.886 282 Q CB 0.823 29.283 28.738 -0.463 0.000 1.243 282 Q HN 0.297 nan 8.270 nan 0.000 0.415 283 V N 4.731 124.469 119.914 -0.294 0.000 2.465 283 V HA 0.324 4.444 4.120 -0.000 0.000 0.279 283 V C -0.692 175.240 176.094 -0.270 0.000 1.045 283 V CA -0.332 61.874 62.300 -0.157 0.000 0.938 283 V CB 0.255 32.058 31.823 -0.033 0.000 0.986 283 V HN 0.705 nan 8.190 nan 0.000 0.467 284 Y N 4.109 124.412 120.300 0.004 0.000 2.693 284 Y HA 0.844 5.394 4.550 -0.000 0.000 0.331 284 Y C 0.180 176.088 175.900 0.014 0.000 1.092 284 Y CA -1.028 57.058 58.100 -0.024 0.000 1.131 284 Y CB 2.141 40.526 38.460 -0.126 0.000 1.318 284 Y HN 0.637 nan 8.280 nan 0.000 0.510 285 I N -1.311 119.388 120.570 0.215 0.000 3.066 285 I HA 0.470 4.640 4.170 -0.000 0.000 0.307 285 I C -1.662 174.528 176.117 0.122 0.000 1.366 285 I CA -1.411 60.001 61.300 0.186 0.000 0.972 285 I CB 2.136 40.322 38.000 0.309 0.000 1.307 285 I HN 0.384 nan 8.210 nan 0.000 0.470 286 Q N 2.169 122.061 119.800 0.153 0.000 2.314 286 Q HA 0.372 4.712 4.340 -0.000 0.000 0.257 286 Q C -0.669 175.607 176.000 0.460 0.000 0.975 286 Q CA 0.126 56.053 55.803 0.207 0.000 0.933 286 Q CB 0.645 29.453 28.738 0.118 0.000 1.195 286 Q HN 0.740 nan 8.270 nan 0.000 0.426 287 Y N 1.898 122.452 120.300 0.424 0.000 2.163 287 Y HA -0.040 4.510 4.550 -0.000 0.000 0.288 287 Y C 0.549 176.511 175.900 0.103 0.000 1.136 287 Y CA 0.514 58.688 58.100 0.123 0.000 1.147 287 Y CB 0.809 39.117 38.460 -0.253 0.000 0.987 287 Y HN 0.539 nan 8.280 nan 0.000 0.509 288 D N -1.192 119.369 120.400 0.269 0.000 2.484 288 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 288 D C -0.044 176.340 176.300 0.140 0.000 1.322 288 D CA -0.079 54.025 54.000 0.173 0.000 0.913 288 D CB 0.842 41.737 40.800 0.158 0.000 1.559 288 D HN 0.067 nan 8.370 nan 0.000 0.565 289 L N 2.390 123.675 121.223 0.103 0.000 2.131 289 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 289 L C 1.860 178.756 176.870 0.043 0.000 1.092 289 L CA 0.836 55.718 54.840 0.070 0.000 0.759 289 L CB -0.162 41.914 42.059 0.028 0.000 0.903 289 L HN 0.322 nan 8.230 nan 0.000 0.435 290 N N -0.226 118.495 118.700 0.035 0.000 2.395 290 N HA 0.001 4.741 4.740 -0.000 0.000 0.175 290 N C 0.442 176.011 175.510 0.098 0.000 1.029 290 N CA 0.339 53.395 53.050 0.010 0.000 0.897 290 N CB 0.128 38.609 38.487 -0.010 0.000 0.991 290 N HN 0.319 nan 8.380 nan 0.000 0.441 291 K N 1.673 122.143 120.400 0.117 0.000 2.518 291 K HA 0.027 4.347 4.320 -0.000 0.000 0.276 291 K C 0.883 177.615 176.600 0.221 0.000 0.974 291 K CA 0.080 56.452 56.287 0.142 0.000 0.986 291 K CB 0.478 33.034 32.500 0.094 0.000 0.901 291 K HN 0.143 nan 8.250 nan 0.000 0.497 292 S N 0.945 116.768 115.700 0.205 0.000 2.686 292 S HA 0.138 4.608 4.470 -0.000 0.000 0.270 292 S C 0.899 175.550 174.600 0.084 0.000 1.194 292 S CA -0.792 57.511 58.200 0.172 0.000 0.990 292 S CB 0.881 64.044 63.200 -0.062 0.000 1.029 292 S HN 0.532 nan 8.310 nan 0.000 0.560 293 N N 0.593 119.344 118.700 0.085 0.000 2.270 293 N HA -0.018 4.722 4.740 -0.000 0.000 0.181 293 N C 1.888 177.406 175.510 0.013 0.000 1.016 293 N CA 1.238 54.338 53.050 0.084 0.000 0.870 293 N CB -0.892 37.706 38.487 0.186 0.000 0.979 293 N HN 0.776 nan 8.380 nan 0.000 0.431 294 A N 1.174 123.980 122.820 -0.023 0.000 1.933 294 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 294 A C 2.060 179.566 177.584 -0.130 0.000 1.175 294 A CA 1.259 53.243 52.037 -0.090 0.000 0.628 294 A CB -0.315 18.609 19.000 -0.127 0.000 0.814 294 A HN 0.338 nan 8.150 nan 0.000 0.444 295 E N -0.213 119.923 120.200 -0.106 0.000 2.076 295 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 295 E C 1.933 178.437 176.600 -0.160 0.000 0.979 295 E CA 0.834 57.154 56.400 -0.133 0.000 0.807 295 E CB -0.233 29.420 29.700 -0.078 0.000 0.761 295 E HN 0.610 nan 8.360 nan 0.000 0.454 296 L N 0.725 121.881 121.223 -0.112 0.000 2.083 296 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 296 L C 2.619 179.328 176.870 -0.268 0.000 1.083 296 L CA 0.847 55.582 54.840 -0.174 0.000 0.752 296 L CB -0.563 41.348 42.059 -0.246 0.000 0.899 296 L HN 0.139 nan 8.230 nan 0.000 0.433 297 A N 0.205 122.911 122.820 -0.190 0.000 1.883 297 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 297 A C 2.305 179.744 177.584 -0.242 0.000 1.186 297 A CA 1.696 53.634 52.037 -0.166 0.000 0.624 297 A CB -0.664 18.259 19.000 -0.128 0.000 0.822 297 A HN 0.390 nan 8.150 nan 0.000 0.444 298 L N -0.959 120.092 121.223 -0.286 0.000 2.095 298 L HA -0.106 4.234 4.340 -0.000 0.000 0.204 298 L C 1.752 178.387 176.870 -0.392 0.000 1.080 298 L CA 1.581 56.221 54.840 -0.333 0.000 0.759 298 L CB -0.314 41.564 42.059 -0.302 0.000 0.914 298 L HN 0.307 nan 8.230 nan 0.000 0.439 299 D N -1.157 118.949 120.400 -0.490 0.000 2.149 299 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 299 D C -0.170 175.532 176.300 -0.996 0.000 0.972 299 D CA 1.248 54.758 54.000 -0.818 0.000 0.835 299 D CB 0.081 40.270 40.800 -1.019 0.000 0.966 299 D HN 0.278 nan 8.370 nan 0.000 0.476 300 Y N -1.700 118.420 120.300 -0.300 0.000 2.665 300 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 300 Y C 1.255 177.049 175.900 -0.176 0.000 1.085 300 Y CA -1.430 56.542 58.100 -0.213 0.000 1.096 300 Y CB 1.169 39.474 38.460 -0.259 0.000 1.301 300 Y HN -0.261 nan 8.280 nan 0.000 0.493 301 G N 0.468 109.390 108.800 0.204 0.000 3.530 301 G HA2 0.392 4.352 3.960 -0.000 0.000 0.269 301 G HA3 0.392 4.352 3.960 -0.000 0.000 0.269 301 G C -0.854 174.226 174.900 0.300 0.000 1.314 301 G CA 0.111 45.347 45.100 0.227 0.000 1.441 301 G HN 0.417 nan 8.290 nan 0.000 0.595 302 F N -0.830 119.228 119.950 0.180 0.000 2.711 302 F HA 0.807 5.334 4.527 -0.000 0.000 0.313 302 F C -1.076 174.785 175.800 0.101 0.000 1.141 302 F CA -2.661 55.416 58.000 0.129 0.000 0.941 302 F CB 1.218 40.268 39.000 0.083 0.000 1.349 302 F HN 0.070 nan 8.300 nan 0.000 0.464 303 I N -1.588 119.267 120.570 0.476 0.000 3.191 303 I HA 0.699 4.869 4.170 -0.000 0.000 0.313 303 I C -1.459 174.860 176.117 0.336 0.000 1.193 303 I CA -1.073 60.422 61.300 0.325 0.000 0.968 303 I CB 2.588 40.707 38.000 0.199 0.000 1.262 303 I HN 0.716 nan 8.210 nan 0.000 0.456 304 E N 2.130 122.463 120.200 0.222 0.000 2.212 304 E HA 0.367 4.717 4.350 -0.000 0.000 0.270 304 E C -2.110 174.525 176.600 0.057 0.000 0.956 304 E CA -1.665 54.811 56.400 0.128 0.000 0.825 304 E CB 1.993 31.762 29.700 0.115 0.000 1.167 304 E HN 0.460 nan 8.360 nan 0.000 0.400 305 P HA -0.096 nan 4.420 nan 0.000 0.223 305 P C -0.005 177.263 177.300 -0.055 0.000 1.151 305 P CA 0.614 63.719 63.100 0.007 0.000 0.787 305 P CB 0.131 31.834 31.700 0.004 0.000 0.788 306 N N 1.210 119.872 118.700 -0.063 0.000 2.386 306 N HA -0.114 4.626 4.740 -0.000 0.000 0.273 306 N C 1.118 176.487 175.510 -0.235 0.000 1.331 306 N CA 0.331 53.330 53.050 -0.086 0.000 0.891 306 N CB 0.077 38.545 38.487 -0.032 0.000 1.139 306 N HN 0.269 nan 8.380 nan 0.000 0.487 307 E N 2.358 122.436 120.200 -0.204 0.000 2.333 307 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 307 E C 0.271 176.829 176.600 -0.070 0.000 1.007 307 E CA 0.787 56.999 56.400 -0.313 0.000 0.845 307 E CB -0.154 29.513 29.700 -0.055 0.000 0.766 307 E HN 0.504 nan 8.360 nan 0.000 0.507 308 N N 0.654 119.386 118.700 0.052 0.000 2.550 308 N HA -0.022 4.718 4.740 -0.000 0.000 0.186 308 N C 1.241 176.896 175.510 0.241 0.000 1.110 308 N CA 0.387 53.547 53.050 0.184 0.000 0.912 308 N CB 0.040 38.601 38.487 0.123 0.000 0.968 308 N HN 0.200 nan 8.380 nan 0.000 0.448 309 R N 0.155 120.710 120.500 0.092 0.000 2.246 309 R HA 0.088 4.428 4.340 -0.000 0.000 0.199 309 R C 0.007 176.417 176.300 0.183 0.000 0.984 309 R CA 0.044 56.255 56.100 0.184 0.000 1.015 309 R CB -0.282 30.056 30.300 0.063 0.000 0.930 309 R HN 0.490 nan 8.270 nan 0.000 0.475 310 H N 0.190 119.337 119.070 0.130 0.000 2.929 310 H HA 0.282 4.838 4.556 -0.000 0.000 0.317 310 H C 0.062 175.320 175.328 -0.116 0.000 1.031 310 H CA -0.154 55.900 56.048 0.008 0.000 1.466 310 H CB 0.763 30.516 29.762 -0.015 0.000 1.482 310 H HN 0.170 nan 8.280 nan 0.000 0.561 311 A N 3.739 126.459 122.820 -0.166 0.000 2.556 311 A HA 0.538 4.858 4.320 -0.000 0.000 0.294 311 A C -2.000 175.496 177.584 -0.145 0.000 1.091 311 A CA -0.619 51.142 52.037 -0.460 0.000 0.704 311 A CB 1.475 19.592 19.000 -1.471 0.000 1.300 311 A HN 0.695 nan 8.150 nan 0.000 0.406 312 Y N 0.416 120.608 120.300 -0.180 0.000 2.361 312 Y HA 0.526 5.076 4.550 -0.000 0.000 0.328 312 Y C 0.113 175.999 175.900 -0.023 0.000 1.044 312 Y CA 0.006 58.067 58.100 -0.065 0.000 1.085 312 Y CB 2.065 40.524 38.460 -0.003 0.000 1.194 312 Y HN 0.850 nan 8.280 nan 0.000 0.438 313 T N 6.688 121.184 114.554 -0.098 0.000 2.767 313 T HA 0.544 4.894 4.350 -0.000 0.000 0.288 313 T C -0.692 174.118 174.700 0.183 0.000 0.963 313 T CA -0.490 61.652 62.100 0.071 0.000 1.019 313 T CB 0.094 68.964 68.868 0.003 0.000 0.923 313 T HN 0.589 nan 8.240 nan 0.000 0.468 314 L N 4.278 125.669 121.223 0.280 0.000 2.334 314 L HA 0.500 4.840 4.340 -0.000 0.000 0.277 314 L C 0.904 177.924 176.870 0.250 0.000 1.075 314 L CA -0.838 54.160 54.840 0.263 0.000 0.804 314 L CB 1.598 43.785 42.059 0.214 0.000 1.174 314 L HN 0.738 nan 8.230 nan 0.000 0.438 315 T N 4.293 118.947 114.554 0.166 0.000 2.791 315 T HA 0.599 4.949 4.350 -0.000 0.000 0.288 315 T C -0.593 174.084 174.700 -0.038 0.000 0.999 315 T CA -0.566 61.542 62.100 0.014 0.000 0.952 315 T CB 0.236 69.129 68.868 0.041 0.000 0.938 315 T HN 0.359 nan 8.240 nan 0.000 0.444 316 L N 4.376 125.547 121.223 -0.086 0.000 2.334 316 L HA 0.812 5.152 4.340 -0.000 0.000 0.272 316 L C 0.019 176.865 176.870 -0.040 0.000 1.020 316 L CA -1.049 53.773 54.840 -0.030 0.000 0.812 316 L CB 1.737 43.780 42.059 -0.027 0.000 1.264 316 L HN 0.802 nan 8.230 nan 0.000 0.439 317 E N 1.372 121.663 120.200 0.152 0.000 2.375 317 E HA 0.406 4.756 4.350 -0.000 0.000 0.280 317 E C -1.498 175.265 176.600 0.272 0.000 0.972 317 E CA -0.810 55.718 56.400 0.212 0.000 0.782 317 E CB 1.959 31.716 29.700 0.096 0.000 1.229 317 E HN 0.502 nan 8.360 nan 0.000 0.439 318 I N 2.640 123.377 120.570 0.278 0.000 2.269 318 I HA 0.115 4.285 4.170 -0.000 0.000 0.293 318 I C 0.545 176.876 176.117 0.357 0.000 1.106 318 I CA -0.389 61.029 61.300 0.197 0.000 1.248 318 I CB 0.863 38.861 38.000 -0.003 0.000 1.444 318 I HN 0.507 nan 8.210 nan 0.000 0.497 319 S N 4.104 119.965 115.700 0.267 0.000 2.558 319 S HA -0.027 4.443 4.470 -0.000 0.000 0.287 319 S C 1.275 176.051 174.600 0.293 0.000 1.321 319 S CA 0.051 58.386 58.200 0.226 0.000 1.048 319 S CB 0.553 63.828 63.200 0.124 0.000 0.844 319 S HN 0.652 nan 8.310 nan 0.000 0.512 320 E N 1.693 121.879 120.200 -0.023 0.000 2.358 320 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 320 E C 1.824 178.326 176.600 -0.162 0.000 1.010 320 E CA 0.884 57.014 56.400 -0.450 0.000 0.856 320 E CB 0.016 29.349 29.700 -0.612 0.000 0.795 320 E HN 0.792 nan 8.360 nan 0.000 0.504 321 S N 0.585 116.263 115.700 -0.037 0.000 2.561 321 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 321 S C 0.754 175.374 174.600 0.033 0.000 0.977 321 S CA -0.057 58.134 58.200 -0.015 0.000 0.926 321 S CB 0.050 63.246 63.200 -0.006 0.000 0.769 321 S HN 0.048 nan 8.310 nan 0.000 0.533 322 D N 3.399 123.864 120.400 0.108 0.000 2.383 322 D HA 0.147 4.787 4.640 -0.000 0.000 0.252 322 D C -1.327 175.039 176.300 0.110 0.000 1.166 322 D CA -1.909 52.179 54.000 0.146 0.000 0.879 322 D CB 1.515 42.451 40.800 0.227 0.000 1.164 322 D HN 0.074 nan 8.370 nan 0.000 0.462 323 P HA -0.101 nan 4.420 nan 0.000 0.223 323 P C 0.410 177.474 177.300 -0.394 0.000 1.144 323 P CA 0.863 63.813 63.100 -0.249 0.000 0.783 323 P CB -0.027 31.420 31.700 -0.420 0.000 0.771 324 F N -3.088 116.899 119.950 0.062 0.000 2.735 324 F HA 0.273 4.800 4.527 -0.000 0.000 0.304 324 F C 1.760 177.589 175.800 0.049 0.000 1.119 324 F CA -0.914 57.109 58.000 0.038 0.000 1.280 324 F CB -0.723 38.266 39.000 -0.019 0.000 0.994 324 F HN -0.262 nan 8.300 nan 0.000 0.520 325 F N 1.926 121.940 119.950 0.108 0.000 2.039 325 F HA -0.373 4.154 4.527 -0.000 0.000 0.296 325 F C 2.218 178.061 175.800 0.071 0.000 1.119 325 F CA 2.283 60.327 58.000 0.073 0.000 1.211 325 F CB -0.261 38.762 39.000 0.039 0.000 0.956 325 F HN 0.016 nan 8.300 nan 0.000 0.496 326 D N 0.136 120.651 120.400 0.192 0.000 2.133 326 D HA -0.226 4.414 4.640 -0.000 0.000 0.192 326 D C 1.910 178.191 176.300 -0.032 0.000 1.001 326 D CA 1.916 55.965 54.000 0.082 0.000 0.844 326 D CB -0.508 40.389 40.800 0.162 0.000 0.944 326 D HN 0.471 nan 8.370 nan 0.000 0.447 327 D N 0.593 121.007 120.400 0.023 0.000 2.103 327 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 327 D C 2.099 178.364 176.300 -0.059 0.000 0.978 327 D CA 0.680 54.689 54.000 0.014 0.000 0.829 327 D CB 0.011 40.857 40.800 0.076 0.000 0.981 327 D HN 0.245 nan 8.370 nan 0.000 0.464 328 K N 0.476 120.815 120.400 -0.100 0.000 2.009 328 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 328 K C 2.154 178.624 176.600 -0.217 0.000 1.049 328 K CA 0.550 56.739 56.287 -0.163 0.000 0.929 328 K CB -0.346 32.047 32.500 -0.179 0.000 0.714 328 K HN 0.017 nan 8.250 nan 0.000 0.440 329 L N 2.249 123.241 121.223 -0.386 0.000 2.081 329 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 329 L C 1.911 178.689 176.870 -0.154 0.000 1.080 329 L CA 1.887 56.508 54.840 -0.364 0.000 0.754 329 L CB -0.607 41.069 42.059 -0.638 0.000 0.893 329 L HN 0.221 nan 8.230 nan 0.000 0.433 330 D N -0.961 119.370 120.400 -0.116 0.000 2.097 330 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 330 D C 2.093 178.386 176.300 -0.011 0.000 0.989 330 D CA 1.783 55.760 54.000 -0.039 0.000 0.827 330 D CB 0.238 41.029 40.800 -0.014 0.000 0.966 330 D HN 0.306 nan 8.370 nan 0.000 0.456 331 V N 1.477 121.391 119.914 -0.000 0.000 2.358 331 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 331 V C 2.682 178.828 176.094 0.087 0.000 1.047 331 V CA 1.703 64.044 62.300 0.069 0.000 1.035 331 V CB -0.811 31.072 31.823 0.100 0.000 0.658 331 V HN 0.217 nan 8.190 nan 0.000 0.452 332 A N -0.012 122.846 122.820 0.063 0.000 1.865 332 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 332 A C 2.180 179.811 177.584 0.079 0.000 1.191 332 A CA 2.062 54.167 52.037 0.115 0.000 0.623 332 A CB -0.511 18.535 19.000 0.077 0.000 0.826 332 A HN 0.639 nan 8.150 nan 0.000 0.444 333 E N 0.028 120.248 120.200 0.033 0.000 2.106 333 E HA -0.093 4.257 4.350 -0.000 0.000 0.192 333 E C 2.081 178.647 176.600 -0.056 0.000 0.984 333 E CA 1.144 57.542 56.400 -0.002 0.000 0.806 333 E CB -0.216 29.485 29.700 0.002 0.000 0.750 333 E HN 0.555 nan 8.360 nan 0.000 0.458 334 S N 1.183 116.853 115.700 -0.050 0.000 2.500 334 S HA -0.046 4.424 4.470 -0.000 0.000 0.239 334 S C 0.989 175.502 174.600 -0.144 0.000 0.989 334 S CA 0.631 58.792 58.200 -0.065 0.000 0.951 334 S CB -0.049 63.139 63.200 -0.020 0.000 0.759 334 S HN 0.264 nan 8.310 nan 0.000 0.523 335 N N -0.018 118.536 118.700 -0.244 0.000 2.365 335 N HA 0.236 4.976 4.740 -0.000 0.000 0.257 335 N C 0.709 175.958 175.510 -0.436 0.000 1.287 335 N CA 0.489 53.264 53.050 -0.458 0.000 0.882 335 N CB 1.231 39.075 38.487 -1.071 0.000 1.250 335 N HN 0.402 nan 8.380 nan 0.000 0.507 336 G N 0.752 109.351 108.800 -0.335 0.000 2.143 336 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 336 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 336 G C -0.309 174.201 174.900 -0.650 0.000 0.981 336 G CA -0.017 44.792 45.100 -0.486 0.000 0.665 336 G HN 0.295 nan 8.290 nan 0.000 0.528 337 F N 0.574 120.488 119.950 -0.060 0.000 2.532 337 F HA 0.791 5.318 4.527 -0.000 0.000 0.321 337 F C 0.637 176.501 175.800 0.107 0.000 1.089 337 F CA -0.351 57.698 58.000 0.083 0.000 0.926 337 F CB 1.884 41.096 39.000 0.353 0.000 1.168 337 F HN 0.259 nan 8.300 nan 0.000 0.459 338 A N 1.542 124.519 122.820 0.261 0.000 2.257 338 A HA 0.276 4.596 4.320 -0.000 0.000 0.290 338 A C 1.310 179.042 177.584 0.246 0.000 1.201 338 A CA -0.327 51.816 52.037 0.176 0.000 0.863 338 A CB 0.502 19.557 19.000 0.092 0.000 1.256 338 A HN 0.770 nan 8.150 nan 0.000 0.506 339 Q N -0.690 119.217 119.800 0.179 0.000 2.124 339 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 339 Q C -0.215 175.911 176.000 0.210 0.000 0.977 339 Q CA 1.617 57.545 55.803 0.208 0.000 0.850 339 Q CB -0.126 28.756 28.738 0.239 0.000 0.901 339 Q HN 0.694 nan 8.270 nan 0.000 0.429 340 T N 0.388 115.000 114.554 0.096 0.000 2.824 340 T HA 0.695 5.044 4.350 -0.000 0.000 0.282 340 T C -1.317 173.253 174.700 -0.218 0.000 0.993 340 T CA -0.266 61.790 62.100 -0.072 0.000 0.967 340 T CB 1.625 70.418 68.868 -0.125 0.000 0.960 340 T HN 0.233 nan 8.240 nan 0.000 0.441 341 A N 3.076 125.637 122.820 -0.431 0.000 2.422 341 A HA 0.764 5.084 4.320 -0.000 0.000 0.302 341 A C -1.821 175.368 177.584 -0.658 0.000 1.041 341 A CA -0.706 51.025 52.037 -0.509 0.000 0.708 341 A CB 1.019 19.689 19.000 -0.549 0.000 1.257 341 A HN 0.822 nan 8.150 nan 0.000 0.414 342 Y N 0.676 120.780 120.300 -0.327 0.000 2.331 342 Y HA 0.586 5.136 4.550 -0.000 0.000 0.338 342 Y C -0.743 174.951 175.900 -0.345 0.000 0.992 342 Y CA -0.222 57.750 58.100 -0.213 0.000 1.121 342 Y CB 1.503 39.889 38.460 -0.123 0.000 1.184 342 Y HN 0.542 nan 8.280 nan 0.000 0.469 343 F N 2.741 122.780 119.950 0.148 0.000 2.402 343 F HA 0.289 4.816 4.527 -0.000 0.000 0.355 343 F C -0.179 175.719 175.800 0.164 0.000 1.123 343 F CA -1.178 56.909 58.000 0.145 0.000 1.021 343 F CB 0.971 40.031 39.000 0.100 0.000 1.160 343 F HN 0.423 nan 8.300 nan 0.000 0.451 344 D N 5.076 125.666 120.400 0.317 0.000 2.317 344 D HA 0.287 4.926 4.640 -0.000 0.000 0.252 344 D C 0.018 176.524 176.300 0.344 0.000 1.174 344 D CA 0.293 54.459 54.000 0.277 0.000 0.866 344 D CB 1.592 42.590 40.800 0.330 0.000 1.127 344 D HN 0.374 nan 8.370 nan 0.000 0.467 345 I N 3.235 123.946 120.570 0.235 0.000 2.328 345 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 345 I C -0.215 175.999 176.117 0.161 0.000 1.012 345 I CA -0.644 60.810 61.300 0.257 0.000 1.195 345 I CB 0.593 38.731 38.000 0.229 0.000 1.350 345 I HN 0.051 nan 8.210 nan 0.000 0.464 346 F N 5.091 125.142 119.950 0.167 0.000 2.399 346 F HA 0.305 4.832 4.527 -0.000 0.000 0.328 346 F C 0.249 176.164 175.800 0.192 0.000 1.084 346 F CA -0.431 57.677 58.000 0.179 0.000 1.053 346 F CB 0.753 39.834 39.000 0.135 0.000 1.209 346 F HN 0.281 nan 8.300 nan 0.000 0.502 347 Y N 3.603 124.061 120.300 0.262 0.000 2.610 347 Y HA 0.022 4.572 4.550 -0.000 0.000 0.332 347 Y C 1.048 177.051 175.900 0.171 0.000 1.201 347 Y CA 0.078 58.291 58.100 0.188 0.000 1.465 347 Y CB 0.090 38.663 38.460 0.188 0.000 1.283 347 Y HN 0.691 nan 8.280 nan 0.000 0.563 348 N N 1.985 120.404 118.700 -0.468 0.000 2.815 348 N HA -0.280 4.460 4.740 -0.000 0.000 0.247 348 N C -0.426 175.033 175.510 -0.085 0.000 1.030 348 N CA 1.249 54.108 53.050 -0.319 0.000 0.881 348 N CB -0.698 37.637 38.487 -0.253 0.000 1.134 348 N HN 0.657 nan 8.380 nan 0.000 0.582 349 R N 0.444 120.952 120.500 0.013 0.000 2.643 349 R HA 0.396 4.736 4.340 -0.000 0.000 0.272 349 R C 0.598 176.922 176.300 0.040 0.000 0.995 349 R CA -0.235 55.894 56.100 0.048 0.000 1.032 349 R CB 0.880 31.250 30.300 0.116 0.000 1.126 349 R HN 0.165 nan 8.270 nan 0.000 0.505 350 T N -0.549 114.025 114.554 0.032 0.000 2.913 350 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 350 T C 0.827 175.564 174.700 0.063 0.000 1.029 350 T CA -0.732 61.383 62.100 0.024 0.000 1.104 350 T CB 0.502 69.378 68.868 0.012 0.000 0.964 350 T HN 0.285 nan 8.240 nan 0.000 0.532 351 L N 2.921 124.174 121.223 0.049 0.000 2.543 351 L HA 0.160 4.500 4.340 -0.000 0.000 0.285 351 L C -1.760 175.175 176.870 0.108 0.000 1.236 351 L CA -1.491 53.398 54.840 0.082 0.000 0.871 351 L CB -0.358 41.723 42.059 0.037 0.000 1.121 351 L HN 0.539 nan 8.230 nan 0.000 0.501 352 P HA 0.078 nan 4.420 nan 0.000 0.266 352 P C -2.406 175.023 177.300 0.214 0.000 1.195 352 P CA -0.778 62.466 63.100 0.240 0.000 0.768 352 P CB -0.072 31.872 31.700 0.406 0.000 0.838 353 P HA 0.104 nan 4.420 nan 0.000 0.268 353 P C 1.069 178.592 177.300 0.372 0.000 1.205 353 P CA 0.888 64.135 63.100 0.245 0.000 0.771 353 P CB 0.283 32.132 31.700 0.249 0.000 0.858 354 G N 1.338 110.319 108.800 0.302 0.000 2.299 354 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.237 354 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.237 354 G C 0.758 175.590 174.900 -0.114 0.000 1.027 354 G CA 0.367 45.668 45.100 0.334 0.000 0.619 354 G HN 0.573 nan 8.290 nan 0.000 0.513 355 L N 1.122 122.095 121.223 -0.417 0.000 2.012 355 L HA 0.212 4.552 4.340 -0.000 0.000 0.210 355 L C 2.722 179.340 176.870 -0.420 0.000 1.073 355 L CA 2.751 56.997 54.840 -0.990 0.000 0.748 355 L CB -0.671 40.998 42.059 -0.650 0.000 0.891 355 L HN 0.460 nan 8.230 nan 0.000 0.431 356 L N 0.136 121.238 121.223 -0.203 0.000 1.976 356 L HA -0.119 4.220 4.340 -0.000 0.000 0.209 356 L C -0.115 176.639 176.870 -0.193 0.000 1.071 356 L CA 1.699 56.464 54.840 -0.126 0.000 0.746 356 L CB -2.063 39.939 42.059 -0.095 0.000 0.890 356 L HN 0.269 nan 8.230 nan 0.000 0.432 357 P HA -0.274 nan 4.420 nan 0.000 0.216 357 P C 1.473 178.479 177.300 -0.490 0.000 1.153 357 P CA 1.789 64.567 63.100 -0.537 0.000 0.858 357 P CB -0.158 30.977 31.700 -0.941 0.000 0.789 358 Y N 0.412 120.464 120.300 -0.413 0.000 2.181 358 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 358 Y C 2.622 178.405 175.900 -0.195 0.000 1.146 358 Y CA 1.205 59.165 58.100 -0.234 0.000 1.164 358 Y CB -0.790 37.563 38.460 -0.179 0.000 0.982 358 Y HN -0.241 nan 8.280 nan 0.000 0.515 359 L N -0.301 120.920 121.223 -0.003 0.000 2.046 359 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 359 L C 2.498 179.317 176.870 -0.085 0.000 1.077 359 L CA 1.454 56.282 54.840 -0.020 0.000 0.747 359 L CB -0.377 41.657 42.059 -0.042 0.000 0.896 359 L HN 0.179 nan 8.230 nan 0.000 0.432 360 R N -0.750 119.662 120.500 -0.146 0.000 2.115 360 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 360 R C 2.110 178.276 176.300 -0.223 0.000 1.111 360 R CA 1.024 57.020 56.100 -0.174 0.000 0.976 360 R CB -0.406 29.773 30.300 -0.202 0.000 0.870 360 R HN 0.210 nan 8.270 nan 0.000 0.445 361 L N 0.644 121.698 121.223 -0.282 0.000 2.027 361 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 361 L C 2.088 178.818 176.870 -0.234 0.000 1.074 361 L CA 1.496 56.153 54.840 -0.305 0.000 0.745 361 L CB -0.406 41.415 42.059 -0.397 0.000 0.898 361 L HN -0.133 nan 8.230 nan 0.000 0.433 362 V N 0.221 120.022 119.914 -0.188 0.000 2.392 362 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 362 V C 2.315 178.375 176.094 -0.056 0.000 1.059 362 V CA 1.654 63.908 62.300 -0.077 0.000 1.051 362 V CB -1.145 30.700 31.823 0.036 0.000 0.658 362 V HN 0.593 nan 8.190 nan 0.000 0.455 363 A N -1.304 121.467 122.820 -0.081 0.000 2.415 363 A HA 0.261 4.581 4.320 -0.000 0.000 0.248 363 A C 1.644 179.161 177.584 -0.113 0.000 1.299 363 A CA -0.112 51.881 52.037 -0.073 0.000 0.899 363 A CB -0.176 18.785 19.000 -0.065 0.000 0.997 363 A HN 0.355 nan 8.150 nan 0.000 0.506 364 L N 0.373 121.498 121.223 -0.163 0.000 1.957 364 L HA 0.034 4.373 4.340 -0.000 0.000 0.228 364 L C 1.383 178.113 176.870 -0.234 0.000 1.086 364 L CA 2.406 57.098 54.840 -0.246 0.000 0.796 364 L CB -0.989 40.864 42.059 -0.342 0.000 0.900 364 L HN 0.970 nan 8.230 nan 0.000 0.439 365 G N -3.929 104.752 108.800 -0.199 0.000 2.722 365 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.686 365 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.686 365 G C 0.704 175.495 174.900 -0.182 0.000 1.282 365 G CA -0.034 45.007 45.100 -0.099 0.000 0.817 365 G HN 0.855 nan 8.290 nan 0.000 0.605 366 G N -0.069 108.768 108.800 0.062 0.000 2.547 366 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.221 366 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.221 366 G C 1.935 176.835 174.900 -0.000 0.000 1.140 366 G CA 2.456 47.630 45.100 0.123 0.000 0.760 366 G HN 1.441 nan 8.290 nan 0.000 0.583 367 T N 0.823 115.367 114.554 -0.018 0.000 2.699 367 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 367 T C 1.498 176.195 174.700 -0.005 0.000 1.036 367 T CA 1.609 63.711 62.100 0.003 0.000 1.147 367 T CB -0.193 68.667 68.868 -0.014 0.000 0.862 367 T HN 0.337 nan 8.240 nan 0.000 0.446 368 D N 0.434 120.712 120.400 -0.202 0.000 2.424 368 D HA 0.378 5.018 4.640 -0.000 0.000 0.220 368 D C 1.682 177.507 176.300 -0.792 0.000 1.150 368 D CA 0.062 53.763 54.000 -0.499 0.000 0.831 368 D CB 0.105 40.604 40.800 -0.502 0.000 0.981 368 D HN 0.333 nan 8.370 nan 0.000 0.500 369 A N 0.995 123.493 122.820 -0.536 0.000 2.076 369 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 369 A C 1.801 179.130 177.584 -0.425 0.000 1.160 369 A CA 0.781 52.432 52.037 -0.643 0.000 0.653 369 A CB -1.088 17.548 19.000 -0.607 0.000 0.801 369 A HN 0.386 nan 8.150 nan 0.000 0.455 370 F N -0.796 119.026 119.950 -0.212 0.000 2.333 370 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 370 F C 1.384 177.069 175.800 -0.192 0.000 1.083 370 F CA 0.916 58.846 58.000 -0.116 0.000 1.395 370 F CB -0.837 38.126 39.000 -0.063 0.000 1.056 370 F HN 0.095 nan 8.300 nan 0.000 0.529 371 L N 0.274 120.825 121.223 -1.120 0.000 2.362 371 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 371 L C 2.076 178.712 176.870 -0.390 0.000 1.134 371 L CA 0.544 54.742 54.840 -1.069 0.000 0.807 371 L CB -0.454 40.855 42.059 -1.250 0.000 0.927 371 L HN 0.303 nan 8.230 nan 0.000 0.447 372 L N -1.299 119.767 121.223 -0.262 0.000 2.492 372 L HA 0.020 4.360 4.340 -0.000 0.000 0.223 372 L C 1.106 178.012 176.870 0.061 0.000 1.132 372 L CA -0.090 54.693 54.840 -0.095 0.000 0.850 372 L CB -0.209 41.773 42.059 -0.129 0.000 0.966 372 L HN 0.151 nan 8.230 nan 0.000 0.454 373 E N 0.207 120.497 120.200 0.149 0.000 2.442 373 E HA -0.042 4.308 4.350 -0.000 0.000 0.260 373 E C 1.336 178.044 176.600 0.180 0.000 1.148 373 E CA 0.148 56.662 56.400 0.191 0.000 0.976 373 E CB 0.664 30.514 29.700 0.250 0.000 0.967 373 E HN -0.005 nan 8.360 nan 0.000 0.454 374 S N 0.752 116.515 115.700 0.106 0.000 2.400 374 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 374 S C 1.783 176.399 174.600 0.027 0.000 1.025 374 S CA 0.884 59.123 58.200 0.066 0.000 0.993 374 S CB -0.158 63.066 63.200 0.040 0.000 0.808 374 S HN 0.458 nan 8.310 nan 0.000 0.478 375 L N 0.895 122.095 121.223 -0.039 0.000 2.081 375 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 375 L C 1.268 177.930 176.870 -0.346 0.000 1.080 375 L CA 1.879 56.564 54.840 -0.259 0.000 0.754 375 L CB -0.621 41.147 42.059 -0.484 0.000 0.893 375 L HN 0.300 nan 8.230 nan 0.000 0.433 376 F N -1.712 118.282 119.950 0.073 0.000 2.695 376 F HA 0.271 4.798 4.527 -0.000 0.000 0.303 376 F C 1.615 177.465 175.800 0.082 0.000 1.091 376 F CA -0.376 57.681 58.000 0.094 0.000 1.300 376 F CB -0.250 38.794 39.000 0.072 0.000 1.071 376 F HN -0.195 nan 8.300 nan 0.000 0.578 377 R N 0.873 121.492 120.500 0.198 0.000 2.416 377 R HA -0.098 4.242 4.340 -0.000 0.000 0.205 377 R C 0.514 176.889 176.300 0.125 0.000 1.150 377 R CA 0.634 56.820 56.100 0.144 0.000 1.139 377 R CB -0.860 29.497 30.300 0.094 0.000 0.861 377 R HN 0.359 nan 8.270 nan 0.000 0.480 378 D N -1.909 118.578 120.400 0.145 0.000 2.449 378 D HA 0.018 4.658 4.640 -0.000 0.000 0.255 378 D C 0.745 177.126 176.300 0.135 0.000 1.121 378 D CA 0.687 54.755 54.000 0.113 0.000 0.830 378 D CB 1.003 41.849 40.800 0.075 0.000 1.280 378 D HN 0.263 nan 8.370 nan 0.000 0.522 379 T N -1.547 113.124 114.554 0.195 0.000 3.016 379 T HA 0.075 4.425 4.350 -0.000 0.000 0.271 379 T C 1.822 176.636 174.700 0.190 0.000 0.968 379 T CA -0.157 62.035 62.100 0.152 0.000 0.891 379 T CB 0.234 69.199 68.868 0.161 0.000 1.149 379 T HN -0.045 nan 8.240 nan 0.000 0.524 380 I N 0.790 121.539 120.570 0.298 0.000 2.236 380 I HA -0.083 4.087 4.170 -0.000 0.000 0.249 380 I C 2.006 178.218 176.117 0.158 0.000 1.102 380 I CA 1.458 62.894 61.300 0.227 0.000 1.365 380 I CB -0.340 37.757 38.000 0.162 0.000 1.051 380 I HN 0.498 nan 8.210 nan 0.000 0.420 381 W N 1.026 122.346 121.300 0.034 0.000 2.436 381 W HA -0.021 4.638 4.660 -0.000 0.000 0.284 381 W C 2.151 178.675 176.519 0.008 0.000 1.225 381 W CA 1.184 58.542 57.345 0.022 0.000 1.271 381 W CB -0.473 29.018 29.460 0.051 0.000 1.114 381 W HN 0.318 nan 8.180 nan 0.000 0.559 382 G N -0.633 108.220 108.800 0.089 0.000 2.408 382 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 382 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 382 G C 1.272 176.095 174.900 -0.129 0.000 1.150 382 G CA 0.867 45.943 45.100 -0.040 0.000 0.776 382 G HN 0.275 nan 8.290 nan 0.000 0.542 383 H N 0.307 119.365 119.070 -0.020 0.000 2.363 383 H HA 0.109 4.665 4.556 -0.000 0.000 0.301 383 H C 2.747 177.977 175.328 -0.163 0.000 1.074 383 H CA 0.780 56.797 56.048 -0.053 0.000 1.354 383 H CB -0.277 29.434 29.762 -0.085 0.000 1.397 383 H HN 0.250 nan 8.280 nan 0.000 0.516 384 L N 0.466 121.581 121.223 -0.180 0.000 2.046 384 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 384 L C 2.554 179.198 176.870 -0.378 0.000 1.077 384 L CA 1.229 55.842 54.840 -0.377 0.000 0.747 384 L CB -0.331 41.306 42.059 -0.704 0.000 0.896 384 L HN 0.238 nan 8.230 nan 0.000 0.432 385 E N 0.130 120.091 120.200 -0.399 0.000 2.051 385 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 385 E C 2.273 178.795 176.600 -0.129 0.000 0.991 385 E CA 1.123 57.368 56.400 -0.257 0.000 0.799 385 E CB 0.032 29.644 29.700 -0.147 0.000 0.748 385 E HN 0.372 nan 8.360 nan 0.000 0.449 386 L N -0.453 120.723 121.223 -0.078 0.000 1.993 386 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 386 L C 0.516 177.366 176.870 -0.033 0.000 1.074 386 L CA 0.885 55.705 54.840 -0.034 0.000 0.746 386 L CB -0.135 41.938 42.059 0.023 0.000 0.896 386 L HN 0.120 nan 8.230 nan 0.000 0.435 387 S N -4.137 111.572 115.700 0.015 0.000 2.785 387 S HA 0.128 4.597 4.470 -0.000 0.000 0.286 387 S C -0.308 174.387 174.600 0.159 0.000 0.918 387 S CA -0.702 57.545 58.200 0.078 0.000 0.866 387 S CB 0.724 63.967 63.200 0.071 0.000 1.087 387 S HN -0.191 nan 8.310 nan 0.000 0.472 388 V N 0.912 120.902 119.914 0.126 0.000 2.403 388 V HA 0.500 4.620 4.120 -0.000 0.000 0.239 388 V C 1.013 177.143 176.094 0.059 0.000 1.041 388 V CA 1.506 63.819 62.300 0.021 0.000 1.051 388 V CB -0.085 31.641 31.823 -0.162 0.000 0.704 388 V HN 1.546 nan 8.190 nan 0.000 0.472 389 S N -1.683 113.915 115.700 -0.170 0.000 2.565 389 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 389 S C 0.121 173.994 174.600 -1.212 0.000 1.144 389 S CA -0.387 57.424 58.200 -0.648 0.000 0.849 389 S CB 1.862 64.889 63.200 -0.290 0.000 1.103 389 S HN 0.200 nan 8.310 nan 0.000 0.455 390 R N 0.718 120.238 120.500 -1.634 0.000 2.103 390 R HA -0.166 4.174 4.340 -0.000 0.000 0.242 390 R C 1.077 177.144 176.300 -0.387 0.000 1.142 390 R CA 2.350 57.896 56.100 -0.923 0.000 0.960 390 R CB -0.560 29.498 30.300 -0.403 0.000 0.858 390 R HN 0.779 nan 8.270 nan 0.000 0.439 391 D N -0.055 120.163 120.400 -0.303 0.000 2.097 391 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 391 D C 1.598 177.808 176.300 -0.151 0.000 0.989 391 D CA 1.108 55.006 54.000 -0.170 0.000 0.827 391 D CB -0.460 40.262 40.800 -0.130 0.000 0.966 391 D HN 0.394 nan 8.370 nan 0.000 0.456 392 N N 1.038 119.623 118.700 -0.191 0.000 2.106 392 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 392 N C 1.714 177.167 175.510 -0.095 0.000 1.029 392 N CA 1.135 54.098 53.050 -0.145 0.000 0.848 392 N CB 0.112 38.496 38.487 -0.172 0.000 1.007 392 N HN -0.009 nan 8.380 nan 0.000 0.423 393 E N 1.238 121.384 120.200 -0.091 0.000 2.051 393 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 393 E C 1.858 178.475 176.600 0.028 0.000 0.991 393 E CA 1.280 57.693 56.400 0.022 0.000 0.799 393 E CB -0.318 29.473 29.700 0.152 0.000 0.748 393 E HN 0.457 nan 8.360 nan 0.000 0.449 394 E N -0.034 120.160 120.200 -0.009 0.000 2.085 394 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 394 E C 2.182 178.783 176.600 0.001 0.000 0.994 394 E CA 1.067 57.471 56.400 0.006 0.000 0.801 394 E CB -0.226 29.463 29.700 -0.018 0.000 0.743 394 E HN 0.345 nan 8.360 nan 0.000 0.453 395 L N 0.865 122.074 121.223 -0.023 0.000 1.970 395 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 395 L C 2.731 179.587 176.870 -0.022 0.000 1.071 395 L CA 1.679 56.504 54.840 -0.026 0.000 0.751 395 L CB -0.513 41.522 42.059 -0.041 0.000 0.889 395 L HN 0.329 nan 8.230 nan 0.000 0.432 396 L N -1.735 119.477 121.223 -0.019 0.000 2.079 396 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 396 L C 2.512 179.363 176.870 -0.032 0.000 1.081 396 L CA 1.749 56.573 54.840 -0.026 0.000 0.752 396 L CB -1.843 40.214 42.059 -0.004 0.000 0.896 396 L HN 0.187 nan 8.230 nan 0.000 0.433 397 C N -0.100 119.232 119.300 0.054 0.000 2.429 397 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 397 C C 2.940 177.929 174.990 -0.001 0.000 1.262 397 C CA 1.342 60.429 59.018 0.114 0.000 1.733 397 C CB -0.926 26.922 27.740 0.180 0.000 2.010 397 C HN 0.672 nan 8.230 nan 0.000 0.483 398 K N 0.810 121.205 120.400 -0.008 0.000 2.097 398 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 398 K C 2.137 178.702 176.600 -0.058 0.000 1.050 398 K CA 1.309 57.582 56.287 -0.023 0.000 0.938 398 K CB -0.256 32.236 32.500 -0.013 0.000 0.718 398 K HN 0.402 nan 8.250 nan 0.000 0.442 399 A N 0.597 123.374 122.820 -0.072 0.000 1.883 399 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 399 A C 2.224 179.723 177.584 -0.142 0.000 1.186 399 A CA 1.790 53.776 52.037 -0.086 0.000 0.624 399 A CB -0.761 18.194 19.000 -0.075 0.000 0.822 399 A HN 0.160 nan 8.150 nan 0.000 0.444 400 V N -0.001 119.762 119.914 -0.251 0.000 2.295 400 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 400 V C 2.674 178.595 176.094 -0.289 0.000 1.049 400 V CA 2.196 64.255 62.300 -0.401 0.000 1.024 400 V CB -0.817 30.432 31.823 -0.957 0.000 0.648 400 V HN 0.505 nan 8.190 nan 0.000 0.447 401 R N -0.299 120.075 120.500 -0.210 0.000 2.081 401 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 401 R C 2.331 178.589 176.300 -0.070 0.000 1.131 401 R CA 1.327 57.369 56.100 -0.098 0.000 0.960 401 R CB -0.334 29.951 30.300 -0.025 0.000 0.856 401 R HN 0.496 nan 8.270 nan 0.000 0.436 402 E N 0.586 120.747 120.200 -0.064 0.000 2.110 402 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 402 E C 1.924 178.497 176.600 -0.044 0.000 0.988 402 E CA 1.223 57.597 56.400 -0.042 0.000 0.804 402 E CB -0.164 29.516 29.700 -0.033 0.000 0.745 402 E HN 0.321 nan 8.360 nan 0.000 0.458 403 A N 0.633 123.415 122.820 -0.063 0.000 1.930 403 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 403 A C 2.620 180.169 177.584 -0.057 0.000 1.175 403 A CA 1.301 53.306 52.037 -0.052 0.000 0.627 403 A CB -0.818 18.146 19.000 -0.061 0.000 0.815 403 A HN 0.331 nan 8.150 nan 0.000 0.443 404 C N -0.539 118.709 119.300 -0.086 0.000 2.436 404 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 404 C C 2.729 177.691 174.990 -0.048 0.000 1.241 404 C CA 1.300 60.261 59.018 -0.096 0.000 1.721 404 C CB -1.043 26.638 27.740 -0.098 0.000 2.043 404 C HN 0.628 nan 8.230 nan 0.000 0.472 405 K N 0.737 121.118 120.400 -0.032 0.000 2.032 405 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 405 K C 2.343 178.947 176.600 0.006 0.000 1.048 405 K CA 1.764 58.046 56.287 -0.009 0.000 0.927 405 K CB -0.459 32.036 32.500 -0.008 0.000 0.712 405 K HN 0.419 nan 8.250 nan 0.000 0.441 406 S N 0.572 116.271 115.700 -0.001 0.000 2.359 406 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 406 S C 2.099 176.713 174.600 0.023 0.000 1.035 406 S CA 1.374 59.579 58.200 0.008 0.000 1.018 406 S CB -0.274 62.926 63.200 -0.000 0.000 0.876 406 S HN 0.389 nan 8.310 nan 0.000 0.448 407 A N 1.408 124.242 122.820 0.023 0.000 1.877 407 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 407 A C 2.244 179.926 177.584 0.163 0.000 1.186 407 A CA 1.556 53.627 52.037 0.057 0.000 0.620 407 A CB -0.911 18.110 19.000 0.034 0.000 0.822 407 A HN 0.578 nan 8.150 nan 0.000 0.443 408 L N -0.729 120.590 121.223 0.160 0.000 2.079 408 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 408 L C 2.951 179.976 176.870 0.259 0.000 1.081 408 L CA 1.069 56.050 54.840 0.235 0.000 0.752 408 L CB -0.484 41.604 42.059 0.050 0.000 0.896 408 L HN 0.442 nan 8.230 nan 0.000 0.433 409 A N 0.026 122.924 122.820 0.130 0.000 2.172 409 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 409 A C 2.276 179.917 177.584 0.096 0.000 1.154 409 A CA 1.289 53.385 52.037 0.097 0.000 0.701 409 A CB -0.880 18.150 19.000 0.051 0.000 0.789 409 A HN 0.465 nan 8.150 nan 0.000 0.465 410 G N -1.512 107.333 108.800 0.074 0.000 2.511 410 G HA2 0.121 4.081 3.960 -0.000 0.000 0.217 410 G HA3 0.121 4.081 3.960 -0.000 0.000 0.217 410 G C 0.499 175.364 174.900 -0.057 0.000 1.133 410 G CA 0.107 45.181 45.100 -0.043 0.000 0.792 410 G HN 0.476 nan 8.290 nan 0.000 0.539 411 Y N 0.285 120.623 120.300 0.063 0.000 2.314 411 Y HA 0.245 4.795 4.550 -0.000 0.000 0.334 411 Y C 1.802 177.774 175.900 0.120 0.000 1.266 411 Y CA -0.221 57.938 58.100 0.100 0.000 1.391 411 Y CB 0.661 39.146 38.460 0.042 0.000 1.306 411 Y HN 0.304 nan 8.280 nan 0.000 0.558 412 H N -1.399 117.769 119.070 0.163 0.000 2.586 412 H HA 0.240 4.796 4.556 -0.000 0.000 0.273 412 H C -0.621 174.755 175.328 0.079 0.000 0.997 412 H CA 0.419 56.522 56.048 0.092 0.000 1.177 412 H CB -0.220 29.579 29.762 0.061 0.000 1.471 412 H HN 0.541 nan 8.280 nan 0.000 0.538 413 T N -0.754 113.624 114.554 -0.293 0.000 2.903 413 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 413 T C 0.110 174.731 174.700 -0.133 0.000 1.093 413 T CA -0.522 61.419 62.100 -0.266 0.000 1.002 413 T CB 2.383 71.018 68.868 -0.388 0.000 1.127 413 T HN 0.289 nan 8.240 nan 0.000 0.488 414 T N -0.478 114.016 114.554 -0.101 0.000 2.849 414 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 414 T C 1.540 176.177 174.700 -0.105 0.000 1.004 414 T CA -1.012 61.038 62.100 -0.085 0.000 1.021 414 T CB 0.270 69.105 68.868 -0.056 0.000 1.013 414 T HN 0.579 nan 8.240 nan 0.000 0.527 415 I N 0.590 121.095 120.570 -0.109 0.000 2.454 415 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 415 I C 2.375 178.444 176.117 -0.079 0.000 1.156 415 I CA 1.281 62.513 61.300 -0.113 0.000 1.433 415 I CB -0.417 37.516 38.000 -0.113 0.000 1.082 415 I HN 0.712 nan 8.210 nan 0.000 0.432 416 E N 0.721 120.884 120.200 -0.061 0.000 2.106 416 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 416 E C 2.137 178.711 176.600 -0.043 0.000 0.984 416 E CA 1.020 57.394 56.400 -0.044 0.000 0.806 416 E CB -0.178 29.502 29.700 -0.034 0.000 0.750 416 E HN 0.516 nan 8.360 nan 0.000 0.458 417 Q N 0.336 120.105 119.800 -0.053 0.000 2.123 417 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 417 Q C 1.393 177.363 176.000 -0.051 0.000 0.966 417 Q CA 1.171 56.944 55.803 -0.050 0.000 0.845 417 Q CB 0.064 28.763 28.738 -0.064 0.000 0.907 417 Q HN 0.294 nan 8.270 nan 0.000 0.439 418 D N 0.648 121.008 120.400 -0.065 0.000 2.097 418 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 418 D C 1.831 178.109 176.300 -0.036 0.000 0.984 418 D CA 1.069 55.036 54.000 -0.055 0.000 0.826 418 D CB -0.095 40.658 40.800 -0.077 0.000 0.973 418 D HN 0.171 nan 8.370 nan 0.000 0.460 419 R N 0.609 121.085 120.500 -0.040 0.000 2.115 419 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 419 R C 2.189 178.479 176.300 -0.017 0.000 1.111 419 R CA 0.666 56.750 56.100 -0.026 0.000 0.976 419 R CB -0.027 30.255 30.300 -0.029 0.000 0.870 419 R HN 0.281 nan 8.270 nan 0.000 0.445 420 E N 0.945 121.134 120.200 -0.020 0.000 2.107 420 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 420 E C 1.885 178.479 176.600 -0.010 0.000 0.982 420 E CA 0.696 57.088 56.400 -0.014 0.000 0.809 420 E CB 0.113 29.804 29.700 -0.015 0.000 0.756 420 E HN 0.264 nan 8.360 nan 0.000 0.459 421 L N 0.784 122.000 121.223 -0.012 0.000 2.046 421 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 421 L C 2.452 179.322 176.870 -0.001 0.000 1.077 421 L CA 1.199 56.036 54.840 -0.006 0.000 0.747 421 L CB -0.256 41.799 42.059 -0.006 0.000 0.896 421 L HN 0.009 nan 8.230 nan 0.000 0.432 422 K N -0.248 120.152 120.400 0.000 0.000 2.360 422 K HA -0.197 4.123 4.320 -0.000 0.000 0.201 422 K C 1.613 178.216 176.600 0.005 0.000 1.046 422 K CA 0.786 57.078 56.287 0.007 0.000 0.945 422 K CB -0.010 32.496 32.500 0.010 0.000 0.750 422 K HN 0.119 nan 8.250 nan 0.000 0.464 423 E N 0.345 120.545 120.200 0.001 0.000 2.502 423 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 423 E C 0.573 177.173 176.600 0.001 0.000 1.062 423 E CA 0.075 56.475 56.400 0.000 0.000 0.867 423 E CB 0.360 30.059 29.700 -0.002 0.000 0.888 423 E HN 0.336 nan 8.360 nan 0.000 0.510 424 G N -0.751 108.049 108.800 0.001 0.000 2.971 424 G HA2 0.266 4.226 3.960 -0.000 0.000 0.235 424 G HA3 0.266 4.226 3.960 -0.000 0.000 0.235 424 G C -0.639 174.262 174.900 0.002 0.000 1.351 424 G CA -0.756 44.344 45.100 0.001 0.000 1.039 424 G HN 0.003 nan 8.290 nan 0.000 0.563 425 N N 0.344 119.045 118.700 0.001 0.000 2.424 425 N HA 0.473 5.213 4.740 -0.000 0.000 0.271 425 N C -1.247 174.263 175.510 -0.001 0.000 0.985 425 N CA -0.359 52.692 53.050 0.001 0.000 0.921 425 N CB 2.031 40.519 38.487 0.000 0.000 1.149 425 N HN 0.028 nan 8.380 nan 0.000 0.492 426 L N 1.753 122.977 121.223 0.001 0.000 2.346 426 L HA 0.308 4.648 4.340 -0.000 0.000 0.274 426 L C 0.748 177.613 176.870 -0.008 0.000 1.007 426 L CA -0.933 53.904 54.840 -0.004 0.000 0.818 426 L CB 1.200 43.260 42.059 0.002 0.000 1.284 426 L HN 0.531 nan 8.230 nan 0.000 0.424 427 D N 0.780 121.164 120.400 -0.027 0.000 2.382 427 D HA 0.003 4.643 4.640 -0.000 0.000 0.240 427 D C 0.527 176.808 176.300 -0.032 0.000 1.146 427 D CA -0.048 53.931 54.000 -0.034 0.000 0.897 427 D CB 1.073 41.836 40.800 -0.061 0.000 1.197 427 D HN 0.472 nan 8.370 nan 0.000 0.432 428 S N 2.139 117.834 115.700 -0.009 0.000 2.393 428 S HA -0.285 4.185 4.470 -0.000 0.000 0.235 428 S C 1.865 176.472 174.600 0.012 0.000 1.061 428 S CA 1.647 59.865 58.200 0.031 0.000 1.129 428 S CB -0.310 62.926 63.200 0.061 0.000 1.011 428 S HN 0.576 nan 8.310 nan 0.000 0.436 429 R N 0.190 120.611 120.500 -0.131 0.000 2.075 429 R HA 0.022 4.362 4.340 -0.000 0.000 0.232 429 R C 2.430 178.474 176.300 -0.428 0.000 1.126 429 R CA 1.120 56.973 56.100 -0.412 0.000 0.963 429 R CB -0.527 29.189 30.300 -0.973 0.000 0.858 429 R HN 0.311 nan 8.270 nan 0.000 0.435 430 L N 0.904 121.964 121.223 -0.271 0.000 2.056 430 L HA -0.034 4.305 4.340 -0.000 0.000 0.207 430 L C 2.247 179.111 176.870 -0.010 0.000 1.078 430 L CA 1.909 56.664 54.840 -0.142 0.000 0.749 430 L CB -0.736 41.267 42.059 -0.093 0.000 0.901 430 L HN 0.110 nan 8.230 nan 0.000 0.433 431 A N -0.076 122.750 122.820 0.009 0.000 1.948 431 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 431 A C 2.286 179.941 177.584 0.119 0.000 1.177 431 A CA 2.355 54.428 52.037 0.059 0.000 0.636 431 A CB -0.969 18.066 19.000 0.059 0.000 0.815 431 A HN 0.566 nan 8.150 nan 0.000 0.449 432 I N -0.592 120.085 120.570 0.178 0.000 2.202 432 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 432 I C 2.996 179.300 176.117 0.311 0.000 1.091 432 I CA 0.961 62.432 61.300 0.285 0.000 1.368 432 I CB -0.414 37.865 38.000 0.465 0.000 1.058 432 I HN 0.362 nan 8.210 nan 0.000 0.410 433 A N 0.618 123.668 122.820 0.384 0.000 1.858 433 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 433 A C 2.447 180.147 177.584 0.194 0.000 1.190 433 A CA 1.885 54.136 52.037 0.356 0.000 0.617 433 A CB -1.052 18.157 19.000 0.349 0.000 0.827 433 A HN 0.219 nan 8.150 nan 0.000 0.443 434 V N 0.016 120.008 119.914 0.131 0.000 2.255 434 V HA -0.221 3.898 4.120 -0.000 0.000 0.247 434 V C 2.856 178.979 176.094 0.049 0.000 1.051 434 V CA 2.144 64.486 62.300 0.070 0.000 1.018 434 V CB -1.586 30.263 31.823 0.044 0.000 0.641 434 V HN 0.630 nan 8.190 nan 0.000 0.445 435 G N 0.076 108.923 108.800 0.078 0.000 2.446 435 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 435 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 435 G C 1.479 176.398 174.900 0.032 0.000 1.168 435 G CA 1.076 46.224 45.100 0.081 0.000 0.771 435 G HN 0.380 nan 8.290 nan 0.000 0.551 436 I N 1.954 122.562 120.570 0.063 0.000 2.202 436 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 436 I C 2.963 179.056 176.117 -0.040 0.000 1.091 436 I CA 1.550 62.861 61.300 0.018 0.000 1.368 436 I CB -1.011 37.026 38.000 0.063 0.000 1.058 436 I HN 0.378 nan 8.210 nan 0.000 0.410 437 R N 1.184 121.702 120.500 0.029 0.000 2.152 437 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 437 R C 1.881 178.068 176.300 -0.188 0.000 1.117 437 R CA 1.363 57.478 56.100 0.026 0.000 0.981 437 R CB -0.578 29.814 30.300 0.154 0.000 0.870 437 R HN 0.445 nan 8.270 nan 0.000 0.451 438 E N 0.977 121.061 120.200 -0.193 0.000 2.046 438 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 438 E C 2.024 178.383 176.600 -0.402 0.000 0.982 438 E CA 1.261 57.506 56.400 -0.257 0.000 0.800 438 E CB -0.251 29.341 29.700 -0.178 0.000 0.756 438 E HN 0.510 nan 8.360 nan 0.000 0.449 439 G N 1.059 109.463 108.800 -0.659 0.000 2.421 439 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 439 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 439 G C 1.393 176.023 174.900 -0.450 0.000 1.171 439 G CA 0.872 45.302 45.100 -1.117 0.000 0.775 439 G HN 0.319 nan 8.290 nan 0.000 0.543 440 E N 0.363 120.412 120.200 -0.251 0.000 2.077 440 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 440 E C 2.542 179.039 176.600 -0.172 0.000 0.989 440 E CA 0.916 57.307 56.400 -0.014 0.000 0.800 440 E CB -0.100 29.726 29.700 0.210 0.000 0.746 440 E HN 0.369 nan 8.360 nan 0.000 0.452 441 K N 0.133 120.306 120.400 -0.378 0.000 2.147 441 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 441 K C 2.140 178.606 176.600 -0.224 0.000 1.049 441 K CA 1.045 57.088 56.287 -0.406 0.000 0.936 441 K CB -0.066 32.144 32.500 -0.484 0.000 0.722 441 K HN 0.174 nan 8.250 nan 0.000 0.446 442 M N 0.208 119.681 119.600 -0.212 0.000 2.099 442 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 442 M C 2.254 178.593 176.300 0.064 0.000 1.067 442 M CA 1.338 56.564 55.300 -0.124 0.000 1.124 442 M CB -0.249 32.137 32.600 -0.356 0.000 1.353 442 M HN -0.081 nan 8.290 nan 0.000 0.410 443 V N 0.504 120.459 119.914 0.068 0.000 2.261 443 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 443 V C 2.364 178.478 176.094 0.033 0.000 1.047 443 V CA 1.414 63.814 62.300 0.167 0.000 1.015 443 V CB -0.713 31.210 31.823 0.167 0.000 0.642 443 V HN 0.337 nan 8.190 nan 0.000 0.446 444 L N -0.248 120.906 121.223 -0.115 0.000 2.013 444 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 444 L C 2.531 179.350 176.870 -0.085 0.000 1.073 444 L CA 1.968 56.682 54.840 -0.210 0.000 0.753 444 L CB -1.033 40.850 42.059 -0.294 0.000 0.890 444 L HN 0.400 nan 8.230 nan 0.000 0.432 445 Q N -1.661 118.111 119.800 -0.047 0.000 2.167 445 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 445 Q C 2.197 178.223 176.000 0.044 0.000 0.970 445 Q CA 1.372 57.172 55.803 -0.005 0.000 0.855 445 Q CB -0.034 28.700 28.738 -0.008 0.000 0.911 445 Q HN 0.584 nan 8.270 nan 0.000 0.438 446 Q N 0.669 120.520 119.800 0.086 0.000 2.050 446 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 446 Q C 1.941 177.992 176.000 0.086 0.000 0.980 446 Q CA 1.287 57.146 55.803 0.093 0.000 0.840 446 Q CB -0.037 28.775 28.738 0.124 0.000 0.898 446 Q HN 0.400 nan 8.270 nan 0.000 0.424 447 I N 1.226 121.855 120.570 0.099 0.000 2.163 447 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 447 I C 2.421 178.668 176.117 0.217 0.000 1.085 447 I CA 1.605 63.007 61.300 0.170 0.000 1.347 447 I CB -0.639 37.422 38.000 0.101 0.000 1.044 447 I HN 0.429 nan 8.210 nan 0.000 0.408 448 D N 1.169 121.627 120.400 0.097 0.000 2.149 448 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 448 D C 2.115 178.483 176.300 0.114 0.000 0.990 448 D CA 1.763 55.815 54.000 0.087 0.000 0.839 448 D CB 0.001 40.814 40.800 0.022 0.000 0.948 448 D HN 0.396 nan 8.370 nan 0.000 0.460 449 G N 1.096 109.946 108.800 0.083 0.000 2.404 449 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 449 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 449 G C 1.981 176.907 174.900 0.044 0.000 1.174 449 G CA 0.419 45.552 45.100 0.054 0.000 0.780 449 G HN 0.328 nan 8.290 nan 0.000 0.537 450 I N -0.294 120.304 120.570 0.046 0.000 2.208 450 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 450 I C 2.313 178.337 176.117 -0.154 0.000 1.097 450 I CA 1.130 62.389 61.300 -0.069 0.000 1.363 450 I CB -0.240 37.696 38.000 -0.107 0.000 1.051 450 I HN 0.088 nan 8.210 nan 0.000 0.413 451 F N 0.466 120.405 119.950 -0.019 0.000 2.512 451 F HA -0.055 4.472 4.527 -0.000 0.000 0.296 451 F C 2.471 178.262 175.800 -0.014 0.000 1.110 451 F CA 0.723 58.712 58.000 -0.018 0.000 1.446 451 F CB -0.293 38.694 39.000 -0.022 0.000 1.092 451 F HN 0.072 nan 8.300 nan 0.000 0.554 452 E N -0.038 120.243 120.200 0.135 0.000 2.106 452 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 452 E C 2.173 178.794 176.600 0.034 0.000 0.984 452 E CA 0.857 57.302 56.400 0.074 0.000 0.806 452 E CB 0.047 29.777 29.700 0.051 0.000 0.750 452 E HN 0.253 nan 8.360 nan 0.000 0.458 453 Q N 0.884 120.686 119.800 0.004 0.000 2.046 453 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 453 Q C 2.040 178.020 176.000 -0.033 0.000 0.975 453 Q CA 1.413 57.201 55.803 -0.025 0.000 0.836 453 Q CB -0.067 28.639 28.738 -0.053 0.000 0.896 453 Q HN 0.271 nan 8.270 nan 0.000 0.428 454 K N 0.512 120.874 120.400 -0.063 0.000 2.113 454 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 454 K C 1.935 178.540 176.600 0.008 0.000 1.047 454 K CA 1.325 57.576 56.287 -0.060 0.000 0.928 454 K CB -0.060 32.369 32.500 -0.119 0.000 0.716 454 K HN 0.320 nan 8.250 nan 0.000 0.446 455 E N 0.661 120.883 120.200 0.037 0.000 2.153 455 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 455 E C 2.027 178.645 176.600 0.030 0.000 0.988 455 E CA 0.831 57.259 56.400 0.047 0.000 0.811 455 E CB -0.033 29.698 29.700 0.052 0.000 0.746 455 E HN 0.292 nan 8.360 nan 0.000 0.466 456 L N 0.662 121.895 121.223 0.017 0.000 2.068 456 L HA -0.097 4.243 4.340 -0.000 0.000 0.204 456 L C 1.759 178.633 176.870 0.007 0.000 1.076 456 L CA 0.929 55.775 54.840 0.010 0.000 0.753 456 L CB -0.222 41.838 42.059 0.002 0.000 0.910 456 L HN 0.030 nan 8.230 nan 0.000 0.439 457 E N 0.486 120.683 120.200 -0.004 0.000 2.438 457 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 457 E C 1.543 178.146 176.600 0.004 0.000 1.110 457 E CA -0.115 56.277 56.400 -0.014 0.000 0.893 457 E CB 0.035 29.712 29.700 -0.038 0.000 0.990 457 E HN 0.228 nan 8.360 nan 0.000 0.490 458 L N 0.806 122.051 121.223 0.038 0.000 2.551 458 L HA -0.168 4.172 4.340 -0.000 0.000 0.230 458 L C 0.516 177.470 176.870 0.141 0.000 1.163 458 L CA 1.736 56.634 54.840 0.097 0.000 0.826 458 L CB 0.022 42.131 42.059 0.084 0.000 0.943 458 L HN 0.019 nan 8.230 nan 0.000 0.452 459 D N -3.235 117.207 120.400 0.069 0.000 2.474 459 D HA 0.019 4.659 4.640 -0.000 0.000 0.213 459 D C 1.749 178.043 176.300 -0.009 0.000 1.120 459 D CA 0.069 54.111 54.000 0.069 0.000 0.836 459 D CB 0.324 41.156 40.800 0.052 0.000 1.019 459 D HN 0.270 nan 8.370 nan 0.000 0.507 460 Q N 0.072 119.845 119.800 -0.046 0.000 2.311 460 Q HA 0.106 4.446 4.340 -0.000 0.000 0.203 460 Q C 0.232 176.139 176.000 -0.155 0.000 0.954 460 Q CA 0.479 56.234 55.803 -0.080 0.000 0.885 460 Q CB 0.519 29.216 28.738 -0.068 0.000 0.963 460 Q HN 0.304 nan 8.270 nan 0.000 0.471 461 L N 2.670 123.738 121.223 -0.258 0.000 2.367 461 L HA 0.055 4.395 4.340 -0.000 0.000 0.275 461 L C 0.244 176.731 176.870 -0.639 0.000 1.129 461 L CA -0.137 54.415 54.840 -0.480 0.000 0.839 461 L CB 0.559 42.203 42.059 -0.691 0.000 1.133 461 L HN 0.205 nan 8.230 nan 0.000 0.453 462 E N 3.781 123.723 120.200 -0.429 0.000 2.014 462 E HA 0.241 4.591 4.350 -0.000 0.000 0.275 462 E C -0.984 175.459 176.600 -0.260 0.000 0.997 462 E CA -0.633 55.599 56.400 -0.280 0.000 0.804 462 E CB 0.410 30.032 29.700 -0.131 0.000 1.090 462 E HN 0.353 nan 8.360 nan 0.000 0.401 463 Y N 1.213 121.513 120.300 0.000 0.000 2.219 463 Y HA -0.081 4.469 4.550 -0.000 0.000 0.375 463 Y C 1.599 177.522 175.900 0.039 0.000 1.333 463 Y CA -0.446 57.668 58.100 0.024 0.000 1.799 463 Y CB -0.083 38.391 38.460 0.023 0.000 1.611 463 Y HN 0.575 nan 8.280 nan 0.000 0.635 464 Y N 0.643 121.044 120.300 0.168 0.000 2.081 464 Y HA -0.340 4.210 4.550 -0.000 0.000 0.280 464 Y C 2.311 178.253 175.900 0.069 0.000 1.163 464 Y CA 2.130 60.267 58.100 0.062 0.000 1.135 464 Y CB -0.330 38.114 38.460 -0.026 0.000 0.970 464 Y HN 0.511 nan 8.280 nan 0.000 0.498 465 Q N 0.354 120.078 119.800 -0.127 0.000 2.061 465 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 465 Q C 2.323 178.213 176.000 -0.183 0.000 0.984 465 Q CA 2.041 57.718 55.803 -0.211 0.000 0.846 465 Q CB -0.599 28.133 28.738 -0.010 0.000 0.902 465 Q HN 0.716 nan 8.270 nan 0.000 0.421 466 E N 0.690 120.852 120.200 -0.062 0.000 2.038 466 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 466 E C 2.049 178.596 176.600 -0.088 0.000 1.000 466 E CA 0.831 57.202 56.400 -0.049 0.000 0.803 466 E CB 0.088 29.786 29.700 -0.004 0.000 0.750 466 E HN 0.221 nan 8.360 nan 0.000 0.448 467 R N 0.080 120.522 120.500 -0.097 0.000 2.139 467 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 467 R C 2.610 178.840 176.300 -0.117 0.000 1.145 467 R CA 1.472 57.527 56.100 -0.076 0.000 0.976 467 R CB -0.362 29.932 30.300 -0.010 0.000 0.866 467 R HN 0.175 nan 8.270 nan 0.000 0.449 468 R N 1.045 121.383 120.500 -0.269 0.000 2.066 468 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 468 R C 1.925 178.153 176.300 -0.119 0.000 1.131 468 R CA 1.149 57.103 56.100 -0.243 0.000 0.955 468 R CB -0.089 29.947 30.300 -0.442 0.000 0.851 468 R HN 0.183 nan 8.270 nan 0.000 0.432 469 L N 0.937 122.092 121.223 -0.113 0.000 2.599 469 L HA 0.011 4.351 4.340 -0.000 0.000 0.230 469 L C 1.869 178.714 176.870 -0.043 0.000 1.141 469 L CA 0.196 54.997 54.840 -0.065 0.000 0.877 469 L CB -0.169 41.855 42.059 -0.058 0.000 1.009 469 L HN 0.087 nan 8.230 nan 0.000 0.447 470 K N 0.895 121.269 120.400 -0.043 0.000 2.209 470 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 470 K C 0.444 177.034 176.600 -0.016 0.000 1.048 470 K CA 0.877 57.148 56.287 -0.026 0.000 0.940 470 K CB -0.208 32.279 32.500 -0.022 0.000 0.729 470 K HN 0.477 nan 8.250 nan 0.000 0.451 471 D N 0.217 120.608 120.400 -0.014 0.000 2.458 471 D HA 0.080 4.720 4.640 -0.000 0.000 0.258 471 D C 0.684 176.980 176.300 -0.007 0.000 1.134 471 D CA -0.218 53.779 54.000 -0.005 0.000 0.915 471 D CB 0.721 41.523 40.800 0.005 0.000 1.028 471 D HN -0.033 nan 8.370 nan 0.000 0.508 472 L N 0.967 122.185 121.223 -0.009 0.000 2.624 472 L HA 0.231 4.571 4.340 -0.000 0.000 0.222 472 L C 1.279 178.147 176.870 -0.005 0.000 1.046 472 L CA 0.543 55.378 54.840 -0.009 0.000 0.872 472 L CB 0.246 42.296 42.059 -0.013 0.000 1.190 472 L HN 0.649 nan 8.230 nan 0.000 0.487 473 G N 1.171 109.969 108.800 -0.004 0.000 2.350 473 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.298 473 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.298 473 G C 0.696 175.595 174.900 -0.002 0.000 1.037 473 G CA 0.521 45.620 45.100 -0.001 0.000 1.074 473 G HN 0.317 nan 8.290 nan 0.000 0.511 474 L N -1.263 119.958 121.223 -0.004 0.000 2.056 474 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 474 L C 2.063 178.932 176.870 -0.003 0.000 1.078 474 L CA 1.210 56.047 54.840 -0.004 0.000 0.749 474 L CB -0.297 41.758 42.059 -0.006 0.000 0.901 474 L HN 0.486 nan 8.230 nan 0.000 0.433 475 C N 1.408 120.706 119.300 -0.003 0.000 2.861 475 C HA 0.409 4.869 4.460 -0.000 0.000 0.542 475 C C 1.491 176.481 174.990 -0.000 0.000 1.074 475 C CA -0.742 58.275 59.018 -0.002 0.000 1.232 475 C CB -1.697 26.041 27.740 -0.003 0.000 1.433 475 C HN 0.494 nan 8.230 nan 0.000 0.606 476 G N 1.806 110.606 108.800 0.001 0.000 3.387 476 G HA2 0.465 4.425 3.960 -0.000 0.000 0.195 476 G HA3 0.465 4.425 3.960 -0.000 0.000 0.195 476 G C -0.145 174.757 174.900 0.003 0.000 1.853 476 G CA -0.141 44.961 45.100 0.003 0.000 0.879 476 G HN 0.641 nan 8.290 nan 0.000 0.651 477 E N -0.584 119.619 120.200 0.005 0.000 2.339 477 E HA 0.430 4.780 4.350 -0.000 0.000 0.262 477 E C -1.064 175.537 176.600 0.002 0.000 0.934 477 E CA -1.033 55.370 56.400 0.004 0.000 0.802 477 E CB 1.367 31.072 29.700 0.008 0.000 1.275 477 E HN 0.185 nan 8.360 nan 0.000 0.427 478 N N 0.538 119.237 118.700 -0.001 0.000 2.739 478 N HA 0.110 4.850 4.740 -0.000 0.000 0.266 478 N C 0.777 176.282 175.510 -0.008 0.000 1.168 478 N CA 0.199 53.245 53.050 -0.006 0.000 1.055 478 N CB 0.346 38.828 38.487 -0.009 0.000 1.393 478 N HN 0.732 nan 8.380 nan 0.000 0.514 479 G N 1.742 110.540 108.800 -0.003 0.000 2.450 479 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 479 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 479 G C 1.146 176.032 174.900 -0.023 0.000 1.130 479 G CA 0.332 45.431 45.100 -0.000 0.000 0.760 479 G HN 0.484 nan 8.290 nan 0.000 0.557 480 D N 0.352 120.734 120.400 -0.030 0.000 2.228 480 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 480 D C 2.446 178.700 176.300 -0.077 0.000 0.988 480 D CA 0.231 54.200 54.000 -0.052 0.000 0.864 480 D CB -0.037 40.740 40.800 -0.039 0.000 0.928 480 D HN 0.204 nan 8.370 nan 0.000 0.469 481 I N 0.081 120.615 120.570 -0.059 0.000 2.226 481 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 481 I C 2.117 178.171 176.117 -0.106 0.000 1.100 481 I CA 0.858 62.119 61.300 -0.065 0.000 1.374 481 I CB -0.760 37.218 38.000 -0.037 0.000 1.057 481 I HN 0.070 nan 8.210 nan 0.000 0.413 482 L N 0.249 121.410 121.223 -0.103 0.000 2.179 482 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 482 L C 2.443 179.000 176.870 -0.522 0.000 1.096 482 L CA 1.085 55.831 54.840 -0.158 0.000 0.779 482 L CB -0.863 41.207 42.059 0.019 0.000 0.922 482 L HN 0.152 nan 8.230 nan 0.000 0.443 483 E N 0.401 120.358 120.200 -0.405 0.000 2.097 483 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 483 E C 1.425 177.662 176.600 -0.605 0.000 1.000 483 E CA 1.240 57.321 56.400 -0.532 0.000 0.804 483 E CB -0.551 29.031 29.700 -0.196 0.000 0.740 483 E HN 0.574 nan 8.360 nan 0.000 0.454 484 N N 0.480 118.964 118.700 -0.359 0.000 2.461 484 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 484 N C 1.104 176.469 175.510 -0.242 0.000 1.134 484 N CA 0.186 53.090 53.050 -0.243 0.000 0.878 484 N CB 0.303 38.708 38.487 -0.137 0.000 0.972 484 N HN 0.108 nan 8.380 nan 0.000 0.456 485 L N 0.571 121.569 121.223 -0.376 0.000 2.611 485 L HA 0.127 4.467 4.340 -0.000 0.000 0.229 485 L C -0.352 176.489 176.870 -0.049 0.000 1.137 485 L CA 0.500 55.232 54.840 -0.180 0.000 0.901 485 L CB -0.911 41.096 42.059 -0.087 0.000 1.098 485 L HN 0.134 nan 8.230 nan 0.000 0.456 486 Y N 0.000 120.300 120.300 -0.000 0.000 2.660 486 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 486 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 486 Y CB 0.000 38.460 38.460 -0.000 0.000 1.050 486 Y HN 0.000 nan 8.280 nan 0.000 0.758