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 2ib7_1_B DATA FIRST_RESID 37 DATA SEQUENCE PTLKEVVIVS ATRTPIGSFL GSLSLLPATK LGSIAIQGAI EKAGIPKEEV DATA SEQUENCE KEAYMGNVLQ GGEGQAPTRQ AVLGAGLPIS TPCTTINKVC ASGMKAIMMA DATA SEQUENCE SQSLMCGHQD VMVAGGMESM SNVPYVMNRG STPYGGVKLE DLIVKDGLTD DATA SEQUENCE VYNKIHMGSC AENTAKKLNI ARNEQDAYAI NSYTRSKAAW EAGKFGNEVI DATA SEQUENCE PVTVTVKGQP DVVVKEDEEY KRVDFSKVPK LKTVFQKENG TVTAANASTL DATA SEQUENCE NDGAAALVLM TADAAKRLNV TPLARIVAFA DAAVEPIDFP IAPVYAASMV DATA SEQUENCE LKDVGLKKED IAMWEVNEAF SLVVLANIKM LEIDPQKVNI NGGAVSLGHP DATA SEQUENCE IGMSGARIVG HLTHALKQGE YGLASICNGG GGASAMLIQK L 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 37 P HA 0.000 nan 4.420 nan 0.000 0.216 37 P C 0.000 177.294 177.300 -0.010 0.000 1.155 37 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 37 P CB 0.000 31.700 31.700 -0.000 0.000 0.726 38 T N -0.674 113.873 114.554 -0.012 0.000 2.934 38 T HA 0.676 5.026 4.350 -0.000 0.000 0.283 38 T C 0.440 175.127 174.700 -0.022 0.000 1.005 38 T CA -1.048 61.043 62.100 -0.015 0.000 1.041 38 T CB 0.792 69.652 68.868 -0.013 0.000 1.042 38 T HN 0.361 nan 8.240 nan 0.000 0.505 39 L N 1.887 123.096 121.223 -0.024 0.000 2.490 39 L HA 0.223 4.563 4.340 -0.000 0.000 0.274 39 L C 0.938 177.796 176.870 -0.021 0.000 1.201 39 L CA -0.202 54.622 54.840 -0.027 0.000 0.869 39 L CB 0.219 42.262 42.059 -0.027 0.000 1.123 39 L HN 0.651 nan 8.230 nan 0.000 0.484 40 K N 2.725 123.113 120.400 -0.021 0.000 2.185 40 K HA 0.185 4.505 4.320 -0.000 0.000 0.271 40 K C -0.115 176.483 176.600 -0.002 0.000 1.013 40 K CA -0.573 55.707 56.287 -0.012 0.000 0.943 40 K CB 1.094 33.586 32.500 -0.014 0.000 0.998 40 K HN 0.490 nan 8.250 nan 0.000 0.468 41 E N 1.962 122.162 120.200 -0.001 0.000 2.338 41 E HA 0.106 4.455 4.350 -0.000 0.000 0.272 41 E C -1.139 175.468 176.600 0.012 0.000 1.029 41 E CA -0.464 55.939 56.400 0.005 0.000 0.872 41 E CB 0.862 30.561 29.700 -0.001 0.000 1.015 41 E HN 0.159 nan 8.360 nan 0.000 0.417 42 V N 5.393 125.323 119.914 0.027 0.000 2.495 42 V HA 0.338 4.458 4.120 -0.000 0.000 0.298 42 V C -0.181 175.926 176.094 0.023 0.000 1.031 42 V CA -0.711 61.608 62.300 0.032 0.000 0.871 42 V CB 1.461 33.323 31.823 0.065 0.000 0.988 42 V HN 0.587 nan 8.190 nan 0.000 0.432 43 V N 3.022 122.940 119.914 0.006 0.000 2.769 43 V HA 0.679 4.799 4.120 -0.000 0.000 0.312 43 V C -0.469 175.617 176.094 -0.014 0.000 1.061 43 V CA -0.883 61.413 62.300 -0.007 0.000 0.931 43 V CB 1.987 33.800 31.823 -0.016 0.000 1.010 43 V HN 0.659 nan 8.190 nan 0.000 0.433 44 I N 4.093 124.648 120.570 -0.025 0.000 2.312 44 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 44 I C 1.136 177.224 176.117 -0.048 0.000 1.031 44 I CA -0.309 60.968 61.300 -0.038 0.000 1.293 44 I CB 1.765 39.733 38.000 -0.052 0.000 1.403 44 I HN 0.757 nan 8.210 nan 0.000 0.484 45 V N 2.267 122.159 119.914 -0.036 0.000 3.307 45 V HA 0.242 4.362 4.120 -0.000 0.000 0.253 45 V C 0.632 176.710 176.094 -0.026 0.000 1.149 45 V CA 0.659 62.940 62.300 -0.031 0.000 1.112 45 V CB -0.150 31.662 31.823 -0.019 0.000 0.777 45 V HN 0.750 nan 8.190 nan 0.000 0.464 46 S N -0.866 114.821 115.700 -0.022 0.000 2.567 46 S HA 0.871 5.340 4.470 -0.000 0.000 0.270 46 S C -0.864 173.748 174.600 0.021 0.000 1.152 46 S CA -0.079 58.126 58.200 0.009 0.000 0.835 46 S CB 1.639 64.862 63.200 0.040 0.000 1.115 46 S HN 1.793 nan 8.310 nan 0.000 0.459 47 A N 1.255 124.136 122.820 0.102 0.000 2.485 47 A HA 0.785 5.105 4.320 -0.000 0.000 0.285 47 A C -0.581 177.168 177.584 0.275 0.000 1.045 47 A CA -0.556 51.569 52.037 0.146 0.000 0.792 47 A CB 1.301 20.339 19.000 0.063 0.000 1.307 47 A HN 0.946 nan 8.150 nan 0.000 0.406 48 T N 1.815 116.464 114.554 0.159 0.000 2.903 48 T HA 0.839 5.188 4.350 -0.000 0.000 0.299 48 T C -0.405 174.354 174.700 0.098 0.000 1.093 48 T CA -0.694 61.480 62.100 0.123 0.000 1.002 48 T CB 1.810 70.730 68.868 0.088 0.000 1.127 48 T HN 1.032 nan 8.240 nan 0.000 0.488 49 R N -0.714 119.839 120.500 0.088 0.000 2.764 49 R HA 0.745 5.085 4.340 -0.000 0.000 0.270 49 R C -0.488 175.854 176.300 0.071 0.000 1.014 49 R CA -1.038 55.108 56.100 0.076 0.000 0.904 49 R CB 0.709 31.057 30.300 0.080 0.000 1.236 49 R HN 0.680 nan 8.270 nan 0.000 0.466 50 T N -0.823 113.766 114.554 0.059 0.000 2.828 50 T HA 0.378 4.728 4.350 -0.000 0.000 0.290 50 T C -2.094 172.644 174.700 0.064 0.000 1.019 50 T CA -1.440 60.692 62.100 0.054 0.000 1.031 50 T CB 0.709 69.599 68.868 0.037 0.000 1.001 50 T HN 0.384 nan 8.240 nan 0.000 0.531 51 P HA 0.251 nan 4.420 nan 0.000 0.270 51 P C -0.467 176.850 177.300 0.027 0.000 1.227 51 P CA -0.277 62.853 63.100 0.049 0.000 0.788 51 P CB 0.218 31.914 31.700 -0.005 0.000 0.926 52 I N 0.688 121.272 120.570 0.022 0.000 2.331 52 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 52 I C 1.135 177.256 176.117 0.007 0.000 0.998 52 I CA 0.012 61.325 61.300 0.022 0.000 1.267 52 I CB 1.003 39.024 38.000 0.034 0.000 1.386 52 I HN 0.295 nan 8.210 nan 0.000 0.476 53 G N 3.724 112.531 108.800 0.011 0.000 2.410 53 G HA2 0.479 4.439 3.960 -0.000 0.000 0.330 53 G HA3 0.479 4.439 3.960 -0.000 0.000 0.330 53 G C -0.542 174.377 174.900 0.032 0.000 1.142 53 G CA -0.382 44.720 45.100 0.003 0.000 0.902 53 G HN 0.548 nan 8.290 nan 0.000 0.491 54 S N -0.208 115.510 115.700 0.029 0.000 2.603 54 S HA 0.246 4.716 4.470 -0.000 0.000 0.268 54 S C -0.117 174.553 174.600 0.117 0.000 1.317 54 S CA -0.397 57.847 58.200 0.075 0.000 1.012 54 S CB 0.777 64.008 63.200 0.051 0.000 0.926 54 S HN 0.437 nan 8.310 nan 0.000 0.539 55 F N 3.015 122.965 119.950 -0.001 0.000 2.593 55 F HA 0.083 4.610 4.527 -0.000 0.000 0.393 55 F C 0.951 176.749 175.800 -0.004 0.000 1.037 55 F CA -0.201 57.797 58.000 -0.002 0.000 1.195 55 F CB -0.846 38.159 39.000 0.008 0.000 1.034 55 F HN 0.524 nan 8.300 nan 0.000 0.552 56 L N 4.453 125.415 121.223 -0.434 0.000 4.040 56 L HA -0.292 4.048 4.340 -0.000 0.000 0.410 56 L C 0.917 177.692 176.870 -0.158 0.000 1.187 56 L CA 0.467 55.088 54.840 -0.366 0.000 0.956 56 L CB -2.327 39.457 42.059 -0.458 0.000 2.022 56 L HN 0.828 nan 8.230 nan 0.000 0.897 57 G N -0.387 108.358 108.800 -0.091 0.000 3.134 57 G HA2 0.403 4.363 3.960 -0.000 0.000 0.158 57 G HA3 0.403 4.363 3.960 -0.000 0.000 0.158 57 G C 1.000 175.868 174.900 -0.053 0.000 1.334 57 G CA 0.405 45.472 45.100 -0.055 0.000 1.001 57 G HN 0.289 nan 8.290 nan 0.000 0.600 58 S N -0.712 114.960 115.700 -0.046 0.000 2.442 58 S HA 0.009 4.479 4.470 -0.000 0.000 0.236 58 S C 1.674 176.251 174.600 -0.039 0.000 1.007 58 S CA 1.052 59.224 58.200 -0.047 0.000 0.965 58 S CB -0.211 62.956 63.200 -0.055 0.000 0.773 58 S HN 0.264 nan 8.310 nan 0.000 0.504 59 L N 1.644 122.847 121.223 -0.033 0.000 2.959 59 L HA 0.287 4.627 4.340 -0.000 0.000 0.259 59 L C 1.968 178.819 176.870 -0.030 0.000 1.185 59 L CA 0.375 55.200 54.840 -0.025 0.000 0.998 59 L CB 0.155 42.206 42.059 -0.014 0.000 1.337 59 L HN 0.395 nan 8.230 nan 0.000 0.555 60 S N -0.297 115.375 115.700 -0.047 0.000 2.474 60 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 60 S C 1.631 176.197 174.600 -0.056 0.000 0.997 60 S CA 0.636 58.796 58.200 -0.066 0.000 0.949 60 S CB -0.248 62.884 63.200 -0.113 0.000 0.766 60 S HN 0.469 nan 8.310 nan 0.000 0.517 61 L N 0.418 121.615 121.223 -0.043 0.000 2.492 61 L HA 0.295 4.635 4.340 -0.000 0.000 0.223 61 L C 0.414 177.270 176.870 -0.024 0.000 1.132 61 L CA 0.237 55.057 54.840 -0.034 0.000 0.850 61 L CB -0.306 41.736 42.059 -0.030 0.000 0.966 61 L HN 0.279 nan 8.230 nan 0.000 0.454 62 L N 1.099 122.310 121.223 -0.021 0.000 2.276 62 L HA 0.334 4.674 4.340 -0.000 0.000 0.286 62 L C -2.127 174.736 176.870 -0.011 0.000 1.061 62 L CA -2.072 52.761 54.840 -0.013 0.000 0.807 62 L CB 0.609 42.663 42.059 -0.008 0.000 1.177 62 L HN -0.229 nan 8.230 nan 0.000 0.429 63 P HA 0.015 nan 4.420 nan 0.000 0.270 63 P C 0.402 177.700 177.300 -0.002 0.000 1.223 63 P CA -0.093 63.004 63.100 -0.006 0.000 0.785 63 P CB 0.825 32.523 31.700 -0.004 0.000 0.923 64 A N 2.188 125.007 122.820 -0.002 0.000 1.917 64 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 64 A C 2.033 179.620 177.584 0.004 0.000 1.182 64 A CA 2.808 54.845 52.037 0.001 0.000 0.633 64 A CB -2.180 16.819 19.000 -0.003 0.000 0.819 64 A HN 0.669 nan 8.150 nan 0.000 0.448 65 T N -1.912 112.644 114.554 0.004 0.000 2.788 65 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 65 T C 1.837 176.542 174.700 0.008 0.000 1.044 65 T CA 1.798 63.902 62.100 0.007 0.000 1.139 65 T CB -0.229 68.642 68.868 0.006 0.000 0.867 65 T HN 0.396 nan 8.240 nan 0.000 0.454 66 K N 1.525 121.929 120.400 0.006 0.000 2.025 66 K HA 0.150 4.470 4.320 -0.000 0.000 0.207 66 K C 2.230 178.836 176.600 0.009 0.000 1.049 66 K CA 1.120 57.411 56.287 0.006 0.000 0.933 66 K CB -0.968 31.534 32.500 0.003 0.000 0.714 66 K HN 0.479 nan 8.250 nan 0.000 0.438 67 L N -0.199 121.030 121.223 0.009 0.000 2.042 67 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 67 L C 2.452 179.333 176.870 0.018 0.000 1.076 67 L CA 1.587 56.435 54.840 0.014 0.000 0.749 67 L CB -1.122 40.945 42.059 0.013 0.000 0.893 67 L HN 0.461 nan 8.230 nan 0.000 0.432 68 G N -0.648 108.163 108.800 0.017 0.000 2.491 68 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 68 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 68 G C 1.721 176.633 174.900 0.020 0.000 1.180 68 G CA 1.074 46.186 45.100 0.020 0.000 0.774 68 G HN 0.375 nan 8.290 nan 0.000 0.562 69 S N 0.613 116.323 115.700 0.017 0.000 2.370 69 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 69 S C 2.291 176.902 174.600 0.018 0.000 1.033 69 S CA 1.185 59.394 58.200 0.016 0.000 1.011 69 S CB -0.276 62.932 63.200 0.012 0.000 0.852 69 S HN 0.393 nan 8.310 nan 0.000 0.457 70 I N 1.688 122.269 120.570 0.019 0.000 2.163 70 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 70 I C 2.695 178.828 176.117 0.028 0.000 1.085 70 I CA 1.301 62.614 61.300 0.022 0.000 1.347 70 I CB -0.488 37.524 38.000 0.021 0.000 1.044 70 I HN 0.283 nan 8.210 nan 0.000 0.408 71 A N 0.656 123.494 122.820 0.031 0.000 1.898 71 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 71 A C 2.302 179.907 177.584 0.036 0.000 1.181 71 A CA 1.456 53.516 52.037 0.038 0.000 0.620 71 A CB -0.773 18.252 19.000 0.041 0.000 0.819 71 A HN 0.386 nan 8.150 nan 0.000 0.442 72 I N -0.878 119.709 120.570 0.029 0.000 2.202 72 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 72 I C 2.805 178.936 176.117 0.022 0.000 1.091 72 I CA 1.729 63.043 61.300 0.024 0.000 1.368 72 I CB -0.280 37.731 38.000 0.019 0.000 1.058 72 I HN 0.507 nan 8.210 nan 0.000 0.410 73 Q N 0.826 120.638 119.800 0.021 0.000 2.084 73 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 73 Q C 2.231 178.245 176.000 0.024 0.000 0.978 73 Q CA 1.895 57.710 55.803 0.019 0.000 0.844 73 Q CB -0.296 28.452 28.738 0.017 0.000 0.898 73 Q HN 0.550 nan 8.270 nan 0.000 0.426 74 G N 0.250 109.068 108.800 0.029 0.000 2.440 74 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.218 74 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.218 74 G C 1.443 176.367 174.900 0.039 0.000 1.154 74 G CA 0.898 46.019 45.100 0.035 0.000 0.767 74 G HN 0.501 nan 8.290 nan 0.000 0.552 75 A N 0.474 123.318 122.820 0.041 0.000 1.933 75 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 75 A C 2.400 180.003 177.584 0.032 0.000 1.175 75 A CA 1.216 53.280 52.037 0.045 0.000 0.628 75 A CB -0.296 18.729 19.000 0.042 0.000 0.814 75 A HN 0.386 nan 8.150 nan 0.000 0.444 76 I N -0.509 120.075 120.570 0.023 0.000 2.286 76 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 76 I C 2.481 178.608 176.117 0.017 0.000 1.104 76 I CA 1.324 62.633 61.300 0.016 0.000 1.397 76 I CB -0.388 37.619 38.000 0.010 0.000 1.072 76 I HN 0.413 nan 8.210 nan 0.000 0.417 77 E N 0.929 121.141 120.200 0.020 0.000 2.049 77 E HA -0.253 4.097 4.350 -0.000 0.000 0.198 77 E C 2.136 178.750 176.600 0.023 0.000 1.007 77 E CA 1.169 57.581 56.400 0.020 0.000 0.809 77 E CB -0.100 29.613 29.700 0.021 0.000 0.749 77 E HN 0.339 nan 8.360 nan 0.000 0.450 78 K N 0.367 120.785 120.400 0.031 0.000 2.103 78 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 78 K C 2.105 178.724 176.600 0.032 0.000 1.048 78 K CA 1.106 57.416 56.287 0.039 0.000 0.930 78 K CB -0.314 32.222 32.500 0.060 0.000 0.716 78 K HN 0.110 nan 8.250 nan 0.000 0.444 79 A N 0.502 123.336 122.820 0.025 0.000 2.015 79 A HA 0.033 4.352 4.320 -0.000 0.000 0.219 79 A C 1.491 179.081 177.584 0.010 0.000 1.163 79 A CA 1.477 53.522 52.037 0.014 0.000 0.646 79 A CB -0.555 18.450 19.000 0.008 0.000 0.806 79 A HN 0.431 nan 8.150 nan 0.000 0.448 80 G N -0.576 108.231 108.800 0.011 0.000 2.225 80 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 80 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 80 G C 0.081 174.983 174.900 0.005 0.000 1.060 80 G CA 0.493 45.598 45.100 0.008 0.000 0.833 80 G HN 1.475 nan 8.290 nan 0.000 0.498 81 I N -3.089 117.483 120.570 0.004 0.000 2.797 81 I HA 0.828 4.998 4.170 -0.000 0.000 0.307 81 I C -2.256 173.862 176.117 0.002 0.000 1.033 81 I CA -3.364 57.937 61.300 0.001 0.000 1.071 81 I CB 1.613 39.613 38.000 -0.001 0.000 1.255 81 I HN -0.128 nan 8.210 nan 0.000 0.445 82 P HA 0.127 nan 4.420 nan 0.000 0.268 82 P C 0.009 177.309 177.300 -0.000 0.000 1.204 82 P CA -0.417 62.684 63.100 0.001 0.000 0.768 82 P CB 0.653 32.352 31.700 -0.000 0.000 0.842 83 K N 1.978 122.378 120.400 0.001 0.000 2.147 83 K HA -0.177 4.142 4.320 -0.000 0.000 0.205 83 K C 0.884 177.482 176.600 -0.003 0.000 1.049 83 K CA 1.453 57.739 56.287 -0.000 0.000 0.936 83 K CB -0.272 32.230 32.500 0.002 0.000 0.722 83 K HN 0.213 nan 8.250 nan 0.000 0.446 84 E N 1.308 121.507 120.200 -0.002 0.000 2.333 84 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 84 E C 1.646 178.243 176.600 -0.005 0.000 1.007 84 E CA 0.818 57.216 56.400 -0.003 0.000 0.845 84 E CB -0.001 29.698 29.700 -0.002 0.000 0.766 84 E HN 0.341 nan 8.360 nan 0.000 0.507 85 E N 0.030 120.226 120.200 -0.006 0.000 2.274 85 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 85 E C 0.097 176.689 176.600 -0.013 0.000 0.996 85 E CA 0.285 56.680 56.400 -0.008 0.000 0.840 85 E CB 0.135 29.831 29.700 -0.007 0.000 0.772 85 E HN 0.084 nan 8.360 nan 0.000 0.491 86 V N 3.356 123.262 119.914 -0.015 0.000 2.446 86 V HA -0.022 4.098 4.120 -0.000 0.000 0.276 86 V C 1.318 177.396 176.094 -0.027 0.000 1.030 86 V CA 0.241 62.527 62.300 -0.024 0.000 1.033 86 V CB 0.907 32.717 31.823 -0.022 0.000 0.993 86 V HN -0.001 nan 8.190 nan 0.000 0.477 87 K N 3.211 123.589 120.400 -0.037 0.000 2.262 87 K HA 0.227 4.547 4.320 -0.000 0.000 0.200 87 K C 0.608 177.182 176.600 -0.045 0.000 1.049 87 K CA 0.491 56.758 56.287 -0.033 0.000 0.979 87 K CB 0.616 33.099 32.500 -0.028 0.000 0.773 87 K HN 0.825 nan 8.250 nan 0.000 0.474 88 E N -1.266 118.887 120.200 -0.077 0.000 2.396 88 E HA 0.523 4.873 4.350 -0.000 0.000 0.280 88 E C -2.007 174.496 176.600 -0.162 0.000 1.065 88 E CA -0.573 55.763 56.400 -0.106 0.000 0.831 88 E CB 1.862 31.482 29.700 -0.134 0.000 1.272 88 E HN -0.006 nan 8.360 nan 0.000 0.443 89 A N 2.209 124.949 122.820 -0.135 0.000 2.422 89 A HA 0.694 5.014 4.320 -0.000 0.000 0.302 89 A C -2.051 175.560 177.584 0.046 0.000 1.041 89 A CA -0.516 51.465 52.037 -0.093 0.000 0.708 89 A CB 0.912 19.907 19.000 -0.010 0.000 1.257 89 A HN 0.411 nan 8.150 nan 0.000 0.414 90 Y N 1.775 122.073 120.300 -0.004 0.000 2.376 90 Y HA 0.701 5.251 4.550 -0.000 0.000 0.340 90 Y C -0.092 175.803 175.900 -0.009 0.000 0.965 90 Y CA -1.890 56.205 58.100 -0.008 0.000 1.078 90 Y CB 1.940 40.390 38.460 -0.016 0.000 1.193 90 Y HN 0.517 nan 8.280 nan 0.000 0.452 91 M N 2.351 122.042 119.600 0.151 0.000 2.326 91 M HA 0.446 4.926 4.480 -0.000 0.000 0.306 91 M C 0.382 176.707 176.300 0.041 0.000 1.054 91 M CA -0.847 54.500 55.300 0.077 0.000 0.922 91 M CB 1.916 34.548 32.600 0.053 0.000 1.632 91 M HN 0.786 nan 8.290 nan 0.000 0.436 92 G N 2.034 110.850 108.800 0.027 0.000 2.527 92 G HA2 0.371 4.331 3.960 -0.000 0.000 0.248 92 G HA3 0.371 4.331 3.960 -0.000 0.000 0.248 92 G C -0.344 174.555 174.900 -0.002 0.000 1.231 92 G CA -0.268 44.834 45.100 0.004 0.000 0.838 92 G HN 0.874 nan 8.290 nan 0.000 0.570 93 N N 1.186 119.876 118.700 -0.017 0.000 3.429 93 N HA 0.023 4.763 4.740 -0.000 0.000 0.221 93 N C 0.236 175.726 175.510 -0.034 0.000 1.195 93 N CA -0.664 52.372 53.050 -0.022 0.000 0.938 93 N CB 1.274 39.753 38.487 -0.013 0.000 1.609 93 N HN 0.150 nan 8.380 nan 0.000 0.704 94 V N 2.986 122.871 119.914 -0.048 0.000 2.599 94 V HA 0.119 4.239 4.120 -0.000 0.000 0.245 94 V C 0.832 176.893 176.094 -0.055 0.000 1.046 94 V CA 0.895 63.161 62.300 -0.058 0.000 1.065 94 V CB -0.030 31.744 31.823 -0.081 0.000 0.703 94 V HN 0.581 nan 8.190 nan 0.000 0.464 95 L N 0.838 122.028 121.223 -0.055 0.000 2.426 95 L HA 0.346 4.686 4.340 -0.000 0.000 0.255 95 L C 0.879 177.726 176.870 -0.038 0.000 1.080 95 L CA 0.094 54.903 54.840 -0.052 0.000 0.960 95 L CB 0.908 42.930 42.059 -0.061 0.000 1.326 95 L HN 0.205 nan 8.230 nan 0.000 0.441 96 Q N 1.286 121.066 119.800 -0.032 0.000 2.408 96 Q HA 0.112 4.452 4.340 -0.000 0.000 0.205 96 Q C 1.314 177.303 176.000 -0.019 0.000 0.919 96 Q CA -0.039 55.751 55.803 -0.023 0.000 0.932 96 Q CB 0.529 29.255 28.738 -0.020 0.000 1.058 96 Q HN 0.735 nan 8.270 nan 0.000 0.517 97 G N 0.104 108.891 108.800 -0.022 0.000 2.254 97 G HA2 0.265 4.225 3.960 -0.000 0.000 0.253 97 G HA3 0.265 4.225 3.960 -0.000 0.000 0.253 97 G C 0.873 175.765 174.900 -0.012 0.000 1.246 97 G CA 0.303 45.393 45.100 -0.017 0.000 0.946 97 G HN 0.356 nan 8.290 nan 0.000 0.474 98 G N 1.937 110.734 108.800 -0.006 0.000 2.179 98 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 98 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 98 G C 0.876 175.774 174.900 -0.003 0.000 0.977 98 G CA 0.635 45.734 45.100 -0.002 0.000 0.641 98 G HN 0.697 nan 8.290 nan 0.000 0.533 99 E N 0.443 120.639 120.200 -0.005 0.000 2.482 99 E HA 0.377 4.727 4.350 -0.000 0.000 0.196 99 E C 1.573 178.172 176.600 -0.002 0.000 1.047 99 E CA 0.424 56.821 56.400 -0.004 0.000 0.869 99 E CB 0.011 29.707 29.700 -0.006 0.000 0.836 99 E HN 1.571 nan 8.360 nan 0.000 0.520 100 G N 1.688 110.488 108.800 -0.001 0.000 2.756 100 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.678 100 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.678 100 G C -0.619 174.282 174.900 0.001 0.000 1.349 100 G CA -0.613 44.488 45.100 0.001 0.000 0.847 100 G HN 0.215 nan 8.290 nan 0.000 0.548 101 Q N 0.154 119.955 119.800 0.002 0.000 2.337 101 Q HA 0.465 4.805 4.340 -0.000 0.000 0.270 101 Q C 1.045 177.048 176.000 0.004 0.000 1.002 101 Q CA 0.841 56.645 55.803 0.002 0.000 0.888 101 Q CB 0.275 29.015 28.738 0.003 0.000 1.222 101 Q HN 2.491 nan 8.270 nan 0.000 0.400 102 A N 4.664 127.487 122.820 0.004 0.000 2.303 102 A HA -0.130 4.190 4.320 -0.000 0.000 0.286 102 A C -1.952 175.637 177.584 0.009 0.000 1.429 102 A CA 0.162 52.203 52.037 0.008 0.000 0.738 102 A CB -1.284 17.722 19.000 0.011 0.000 1.149 102 A HN 0.819 nan 8.150 nan 0.000 0.364 103 P HA -0.176 nan 4.420 nan 0.000 0.216 103 P C 1.763 179.072 177.300 0.014 0.000 1.154 103 P CA 2.104 65.209 63.100 0.008 0.000 0.865 103 P CB -0.038 31.663 31.700 0.003 0.000 0.789 104 T N -0.957 113.609 114.554 0.021 0.000 2.821 104 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 104 T C 1.900 176.618 174.700 0.030 0.000 1.046 104 T CA 1.327 63.447 62.100 0.033 0.000 1.139 104 T CB -0.440 68.460 68.868 0.054 0.000 0.871 104 T HN 0.019 nan 8.240 nan 0.000 0.454 105 R N 1.387 121.903 120.500 0.026 0.000 2.081 105 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 105 R C 2.433 178.742 176.300 0.016 0.000 1.131 105 R CA 1.556 57.668 56.100 0.021 0.000 0.960 105 R CB -0.456 29.855 30.300 0.019 0.000 0.856 105 R HN 0.467 nan 8.270 nan 0.000 0.436 106 Q N -0.655 119.153 119.800 0.013 0.000 2.061 106 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 106 Q C 2.118 178.125 176.000 0.011 0.000 0.984 106 Q CA 1.881 57.691 55.803 0.011 0.000 0.846 106 Q CB -0.281 28.462 28.738 0.008 0.000 0.902 106 Q HN 0.478 nan 8.270 nan 0.000 0.421 107 A N 0.276 123.104 122.820 0.014 0.000 1.877 107 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 107 A C 2.343 179.936 177.584 0.015 0.000 1.186 107 A CA 1.429 53.475 52.037 0.015 0.000 0.620 107 A CB -0.738 18.274 19.000 0.019 0.000 0.822 107 A HN 0.217 nan 8.150 nan 0.000 0.443 108 V N 0.127 120.051 119.914 0.016 0.000 2.270 108 V HA -0.231 3.888 4.120 -0.000 0.000 0.245 108 V C 2.586 178.687 176.094 0.010 0.000 1.043 108 V CA 1.941 64.249 62.300 0.013 0.000 1.014 108 V CB -0.671 31.161 31.823 0.015 0.000 0.645 108 V HN 0.564 nan 8.190 nan 0.000 0.447 109 L N 0.214 121.443 121.223 0.010 0.000 2.056 109 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 109 L C 2.639 179.514 176.870 0.008 0.000 1.078 109 L CA 1.695 56.540 54.840 0.008 0.000 0.749 109 L CB -1.235 40.829 42.059 0.008 0.000 0.901 109 L HN 0.490 nan 8.230 nan 0.000 0.433 110 G N -0.287 108.518 108.800 0.008 0.000 2.462 110 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 110 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 110 G C 1.565 176.470 174.900 0.009 0.000 1.121 110 G CA 0.757 45.862 45.100 0.008 0.000 0.758 110 G HN 0.477 nan 8.290 nan 0.000 0.559 111 A N -0.398 122.428 122.820 0.010 0.000 2.238 111 A HA 0.465 4.784 4.320 -0.000 0.000 0.208 111 A C 2.063 179.652 177.584 0.009 0.000 1.177 111 A CA 1.256 53.299 52.037 0.010 0.000 0.804 111 A CB -0.405 18.602 19.000 0.012 0.000 0.823 111 A HN 1.547 nan 8.150 nan 0.000 0.482 112 G N -1.169 107.635 108.800 0.007 0.000 2.143 112 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 112 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 112 G C 0.142 175.045 174.900 0.005 0.000 0.981 112 G CA 0.255 45.358 45.100 0.006 0.000 0.665 112 G HN 0.355 nan 8.290 nan 0.000 0.528 113 L N 0.398 121.623 121.223 0.005 0.000 2.473 113 L HA 0.271 4.611 4.340 -0.000 0.000 0.268 113 L C -1.320 175.552 176.870 0.002 0.000 1.215 113 L CA -1.196 53.646 54.840 0.003 0.000 0.823 113 L CB -0.166 41.894 42.059 0.001 0.000 1.099 113 L HN -0.046 nan 8.230 nan 0.000 0.483 114 P HA 0.017 nan 4.420 nan 0.000 0.269 114 P C 0.690 177.991 177.300 0.002 0.000 1.215 114 P CA -0.302 62.799 63.100 0.001 0.000 0.780 114 P CB 0.418 32.118 31.700 -0.000 0.000 0.898 115 I N -0.191 120.381 120.570 0.003 0.000 2.850 115 I HA -0.149 4.021 4.170 -0.000 0.000 0.266 115 I C 1.321 177.440 176.117 0.004 0.000 1.257 115 I CA 1.366 62.668 61.300 0.004 0.000 1.465 115 I CB -1.678 36.324 38.000 0.004 0.000 1.091 115 I HN 0.170 nan 8.210 nan 0.000 0.467 116 S N -1.184 114.517 115.700 0.002 0.000 2.603 116 S HA 0.136 4.606 4.470 -0.000 0.000 0.220 116 S C 0.827 175.428 174.600 0.001 0.000 0.967 116 S CA -0.259 57.942 58.200 0.002 0.000 0.920 116 S CB -1.234 61.967 63.200 0.001 0.000 0.773 116 S HN 0.444 nan 8.310 nan 0.000 0.529 117 T N 5.221 119.776 114.554 0.002 0.000 2.723 117 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 117 T C -2.609 172.096 174.700 0.007 0.000 0.925 117 T CA -1.130 60.969 62.100 -0.001 0.000 1.030 117 T CB 0.854 69.720 68.868 -0.003 0.000 0.905 117 T HN 0.217 nan 8.240 nan 0.000 0.502 118 P HA 0.393 nan 4.420 nan 0.000 0.272 118 P C -0.823 176.506 177.300 0.048 0.000 1.223 118 P CA -0.548 62.570 63.100 0.030 0.000 0.784 118 P CB 0.511 32.232 31.700 0.035 0.000 0.923 119 C N 1.149 120.492 119.300 0.072 0.000 2.608 119 C HA 0.625 5.085 4.460 -0.000 0.000 0.325 119 C C -0.543 174.517 174.990 0.118 0.000 1.147 119 C CA -0.116 58.959 59.018 0.097 0.000 1.359 119 C CB 1.546 29.321 27.740 0.058 0.000 1.912 119 C HN 0.515 nan 8.230 nan 0.000 0.466 120 T N 2.067 116.728 114.554 0.178 0.000 2.921 120 T HA 0.493 4.843 4.350 -0.000 0.000 0.297 120 T C -0.447 174.278 174.700 0.042 0.000 1.013 120 T CA -0.342 61.805 62.100 0.079 0.000 0.990 120 T CB 1.699 70.559 68.868 -0.013 0.000 1.023 120 T HN 0.609 nan 8.240 nan 0.000 0.447 121 T N 4.075 118.626 114.554 -0.005 0.000 2.799 121 T HA 0.521 4.870 4.350 -0.000 0.000 0.286 121 T C -0.043 174.624 174.700 -0.056 0.000 0.973 121 T CA -0.688 61.404 62.100 -0.014 0.000 1.035 121 T CB 0.327 69.191 68.868 -0.007 0.000 0.932 121 T HN 0.329 nan 8.240 nan 0.000 0.469 122 I N 3.723 124.259 120.570 -0.056 0.000 2.404 122 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 122 I C 0.077 176.163 176.117 -0.052 0.000 0.992 122 I CA -0.929 60.321 61.300 -0.082 0.000 1.149 122 I CB 1.494 39.434 38.000 -0.099 0.000 1.315 122 I HN 0.557 nan 8.210 nan 0.000 0.446 123 N N 5.388 124.057 118.700 -0.052 0.000 2.617 123 N HA 0.200 4.940 4.740 -0.000 0.000 0.263 123 N C -0.549 174.941 175.510 -0.034 0.000 1.074 123 N CA -0.274 52.752 53.050 -0.040 0.000 0.841 123 N CB 1.060 39.524 38.487 -0.038 0.000 1.221 123 N HN 0.593 nan 8.380 nan 0.000 0.529 124 K N 4.051 124.434 120.400 -0.027 0.000 3.010 124 K HA 0.237 4.557 4.320 -0.000 0.000 0.211 124 K C 0.144 176.734 176.600 -0.016 0.000 1.146 124 K CA -0.402 55.876 56.287 -0.015 0.000 1.070 124 K CB -0.141 32.354 32.500 -0.008 0.000 0.908 124 K HN 0.322 nan 8.250 nan 0.000 0.463 125 V N -1.244 118.651 119.914 -0.032 0.000 0.690 125 V HA -0.554 3.566 4.120 -0.000 0.000 0.092 125 V C 1.641 177.712 176.094 -0.039 0.000 0.781 125 V CA 1.546 63.815 62.300 -0.050 0.000 3.099 125 V CB -1.657 30.127 31.823 -0.065 0.000 0.189 125 V HN 0.557 nan 8.190 nan 0.000 0.087 126 C N 0.860 120.140 119.300 -0.032 0.000 2.409 126 C HA 0.132 4.591 4.460 -0.000 0.000 0.284 126 C C 2.659 177.687 174.990 0.062 0.000 1.354 126 C CA 1.232 60.268 59.018 0.030 0.000 1.787 126 C CB -1.828 25.966 27.740 0.090 0.000 1.900 126 C HN 1.041 nan 8.230 nan 0.000 0.520 127 A N -0.309 122.533 122.820 0.037 0.000 2.251 127 A HA 0.058 4.378 4.320 -0.000 0.000 0.209 127 A C 2.067 179.665 177.584 0.023 0.000 1.187 127 A CA 1.017 53.078 52.037 0.041 0.000 0.823 127 A CB -0.354 18.671 19.000 0.041 0.000 0.846 127 A HN 0.512 nan 8.150 nan 0.000 0.486 128 S N 0.241 115.947 115.700 0.009 0.000 2.365 128 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 128 S C 2.067 176.669 174.600 0.003 0.000 1.039 128 S CA 1.584 59.781 58.200 -0.005 0.000 1.033 128 S CB -0.581 62.610 63.200 -0.015 0.000 0.887 128 S HN 0.763 nan 8.310 nan 0.000 0.447 129 G N 0.784 109.595 108.800 0.018 0.000 2.422 129 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 129 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 129 G C 1.357 176.269 174.900 0.020 0.000 1.140 129 G CA 0.813 45.928 45.100 0.026 0.000 0.775 129 G HN 0.448 nan 8.290 nan 0.000 0.545 130 M N -0.307 119.305 119.600 0.019 0.000 2.156 130 M HA 0.116 4.596 4.480 -0.000 0.000 0.264 130 M C 2.470 178.747 176.300 -0.038 0.000 1.067 130 M CA 1.529 56.830 55.300 0.001 0.000 1.131 130 M CB 0.046 32.660 32.600 0.022 0.000 1.368 130 M HN 0.150 nan 8.290 nan 0.000 0.416 131 K N 0.905 121.288 120.400 -0.029 0.000 2.097 131 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 131 K C 1.700 178.263 176.600 -0.062 0.000 1.049 131 K CA 1.724 57.977 56.287 -0.056 0.000 0.933 131 K CB -0.641 31.838 32.500 -0.035 0.000 0.717 131 K HN 0.411 nan 8.250 nan 0.000 0.442 132 A N 0.699 123.508 122.820 -0.020 0.000 1.892 132 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 132 A C 2.241 179.870 177.584 0.074 0.000 1.188 132 A CA 2.020 54.087 52.037 0.051 0.000 0.631 132 A CB -0.742 18.304 19.000 0.076 0.000 0.822 132 A HN 0.354 nan 8.150 nan 0.000 0.447 133 I N -1.059 119.502 120.570 -0.016 0.000 2.252 133 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 133 I C 2.717 178.714 176.117 -0.198 0.000 1.102 133 I CA 1.452 62.713 61.300 -0.065 0.000 1.385 133 I CB -0.321 37.641 38.000 -0.063 0.000 1.064 133 I HN 0.328 nan 8.210 nan 0.000 0.414 134 M N -0.289 119.098 119.600 -0.355 0.000 2.067 134 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 134 M C 2.437 178.468 176.300 -0.448 0.000 1.069 134 M CA 2.080 56.888 55.300 -0.821 0.000 1.117 134 M CB -0.382 31.775 32.600 -0.738 0.000 1.334 134 M HN 0.178 nan 8.290 nan 0.000 0.407 135 M N -0.410 119.111 119.600 -0.132 0.000 2.159 135 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 135 M C 2.429 178.879 176.300 0.249 0.000 1.063 135 M CA 1.606 56.947 55.300 0.068 0.000 1.110 135 M CB -0.578 32.033 32.600 0.019 0.000 1.374 135 M HN 0.378 nan 8.290 nan 0.000 0.411 136 A N -0.243 122.718 122.820 0.235 0.000 1.930 136 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 136 A C 2.288 179.875 177.584 0.004 0.000 1.175 136 A CA 1.996 54.051 52.037 0.031 0.000 0.627 136 A CB -0.745 18.192 19.000 -0.106 0.000 0.815 136 A HN 0.433 nan 8.150 nan 0.000 0.443 137 S N -0.161 115.529 115.700 -0.016 0.000 2.370 137 S HA -0.231 4.238 4.470 -0.000 0.000 0.226 137 S C 2.083 176.761 174.600 0.130 0.000 1.033 137 S CA 1.651 59.881 58.200 0.050 0.000 1.011 137 S CB -0.355 62.886 63.200 0.068 0.000 0.852 137 S HN 0.712 nan 8.310 nan 0.000 0.457 138 Q N 0.609 120.500 119.800 0.152 0.000 2.084 138 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 138 Q C 2.473 178.526 176.000 0.089 0.000 0.978 138 Q CA 1.491 57.394 55.803 0.167 0.000 0.844 138 Q CB -0.314 28.535 28.738 0.183 0.000 0.898 138 Q HN 0.492 nan 8.270 nan 0.000 0.426 139 S N 0.426 116.190 115.700 0.105 0.000 2.356 139 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 139 S C 1.892 176.497 174.600 0.009 0.000 1.032 139 S CA 0.935 59.191 58.200 0.094 0.000 1.005 139 S CB -0.192 63.076 63.200 0.113 0.000 0.867 139 S HN 0.288 nan 8.310 nan 0.000 0.449 140 L N 0.560 121.788 121.223 0.008 0.000 2.017 140 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 140 L C 2.786 179.642 176.870 -0.023 0.000 1.073 140 L CA 1.604 56.440 54.840 -0.007 0.000 0.745 140 L CB -0.557 41.502 42.059 -0.000 0.000 0.894 140 L HN 0.377 nan 8.230 nan 0.000 0.432 141 M N -1.023 118.576 119.600 -0.002 0.000 2.144 141 M HA -0.283 4.197 4.480 -0.000 0.000 0.260 141 M C 2.279 178.531 176.300 -0.080 0.000 1.067 141 M CA 1.566 56.858 55.300 -0.014 0.000 1.095 141 M CB -0.633 31.984 32.600 0.029 0.000 1.365 141 M HN 0.386 nan 8.290 nan 0.000 0.406 142 C N 0.077 119.274 119.300 -0.170 0.000 2.522 142 C HA 0.145 4.605 4.460 -0.000 0.000 0.271 142 C C 1.761 176.532 174.990 -0.366 0.000 1.425 142 C CA 0.618 59.411 59.018 -0.376 0.000 1.751 142 C CB -1.549 25.698 27.740 -0.822 0.000 1.775 142 C HN 0.869 nan 8.230 nan 0.000 0.557 143 G N -0.100 108.591 108.800 -0.181 0.000 2.160 143 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 143 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 143 G C 0.291 175.215 174.900 0.039 0.000 1.008 143 G CA 0.729 45.793 45.100 -0.060 0.000 0.724 143 G HN 0.751 nan 8.290 nan 0.000 0.514 144 H N -0.846 118.232 119.070 0.014 0.000 2.512 144 H HA 0.177 4.733 4.556 -0.000 0.000 0.279 144 H C 1.207 176.534 175.328 -0.001 0.000 0.999 144 H CA 0.986 57.041 56.048 0.011 0.000 1.283 144 H CB 0.316 30.092 29.762 0.023 0.000 1.421 144 H HN 0.390 nan 8.280 nan 0.000 0.554 145 Q N 0.183 120.043 119.800 0.100 0.000 2.501 145 Q HA 0.061 4.401 4.340 -0.000 0.000 0.288 145 Q C -0.414 175.592 176.000 0.011 0.000 1.051 145 Q CA -0.316 55.507 55.803 0.034 0.000 0.788 145 Q CB 2.087 30.822 28.738 -0.005 0.000 1.469 145 Q HN 0.339 nan 8.270 nan 0.000 0.416 146 D N -1.347 119.052 120.400 -0.001 0.000 2.454 146 D HA 0.130 4.770 4.640 -0.000 0.000 0.219 146 D C 0.180 176.471 176.300 -0.016 0.000 1.081 146 D CA 0.282 54.278 54.000 -0.007 0.000 0.867 146 D CB 0.882 41.680 40.800 -0.002 0.000 1.054 146 D HN 0.133 nan 8.370 nan 0.000 0.500 147 V N 0.989 120.889 119.914 -0.024 0.000 2.623 147 V HA 0.516 4.636 4.120 -0.000 0.000 0.304 147 V C -0.548 175.513 176.094 -0.054 0.000 1.054 147 V CA -0.563 61.718 62.300 -0.033 0.000 0.882 147 V CB 1.904 33.713 31.823 -0.024 0.000 1.002 147 V HN 0.063 nan 8.190 nan 0.000 0.424 148 M N 3.706 123.264 119.600 -0.069 0.000 2.593 148 M HA 0.664 5.144 4.480 -0.000 0.000 0.290 148 M C -1.297 174.952 176.300 -0.085 0.000 1.244 148 M CA -0.935 54.300 55.300 -0.108 0.000 0.857 148 M CB 2.800 35.291 32.600 -0.183 0.000 1.738 148 M HN 0.466 nan 8.290 nan 0.000 0.461 149 V N 1.430 121.290 119.914 -0.090 0.000 2.513 149 V HA 0.976 5.096 4.120 -0.000 0.000 0.299 149 V C -1.239 174.821 176.094 -0.057 0.000 1.035 149 V CA -0.140 62.128 62.300 -0.052 0.000 0.889 149 V CB 1.430 33.238 31.823 -0.024 0.000 0.988 149 V HN 0.945 nan 8.190 nan 0.000 0.440 150 A N 4.265 127.072 122.820 -0.021 0.000 2.486 150 A HA 1.038 5.358 4.320 -0.000 0.000 0.300 150 A C -0.044 177.559 177.584 0.031 0.000 1.048 150 A CA 0.137 52.184 52.037 0.017 0.000 0.696 150 A CB 1.804 20.811 19.000 0.012 0.000 1.278 150 A HN 1.995 nan 8.150 nan 0.000 0.405 151 G N -0.415 108.414 108.800 0.048 0.000 2.474 151 G HA2 0.747 4.707 3.960 -0.000 0.000 0.234 151 G HA3 0.747 4.707 3.960 -0.000 0.000 0.234 151 G C -0.309 174.617 174.900 0.042 0.000 1.204 151 G CA 0.410 45.535 45.100 0.042 0.000 0.939 151 G HN 1.961 nan 8.290 nan 0.000 0.491 152 G N -0.709 108.113 108.800 0.038 0.000 2.677 152 G HA2 0.760 4.720 3.960 -0.000 0.000 0.291 152 G HA3 0.760 4.720 3.960 -0.000 0.000 0.291 152 G C -0.768 174.147 174.900 0.025 0.000 1.435 152 G CA -0.011 45.106 45.100 0.029 0.000 0.826 152 G HN 1.488 nan 8.290 nan 0.000 0.491 153 M N -0.381 119.228 119.600 0.014 0.000 2.465 153 M HA 0.909 5.389 4.480 -0.000 0.000 0.284 153 M C -1.794 174.504 176.300 -0.004 0.000 1.212 153 M CA -0.955 54.351 55.300 0.010 0.000 0.910 153 M CB 2.758 35.365 32.600 0.013 0.000 1.725 153 M HN 0.495 nan 8.290 nan 0.000 0.477 154 E N 0.730 120.927 120.200 -0.005 0.000 2.381 154 E HA 0.485 4.835 4.350 -0.000 0.000 0.286 154 E C -1.990 174.607 176.600 -0.004 0.000 0.960 154 E CA -0.171 56.219 56.400 -0.017 0.000 0.793 154 E CB 2.486 32.160 29.700 -0.043 0.000 1.225 154 E HN 0.732 nan 8.360 nan 0.000 0.420 155 S N 4.968 120.667 115.700 -0.002 0.000 2.532 155 S HA 0.290 4.760 4.470 -0.000 0.000 0.256 155 S C 0.650 175.268 174.600 0.031 0.000 1.298 155 S CA -0.399 57.809 58.200 0.013 0.000 1.166 155 S CB 0.126 63.328 63.200 0.003 0.000 1.022 155 S HN 0.697 nan 8.310 nan 0.000 0.480 156 M N 2.074 121.715 119.600 0.068 0.000 2.296 156 M HA -0.040 4.440 4.480 -0.000 0.000 0.265 156 M C 2.171 178.631 176.300 0.266 0.000 1.064 156 M CA 0.989 56.367 55.300 0.130 0.000 1.109 156 M CB -0.383 32.279 32.600 0.103 0.000 1.396 156 M HN 0.545 nan 8.290 nan 0.000 0.430 157 S N 0.871 116.673 115.700 0.169 0.000 2.400 157 S HA -0.075 4.395 4.470 -0.000 0.000 0.232 157 S C 1.416 175.977 174.600 -0.065 0.000 1.025 157 S CA 1.068 59.220 58.200 -0.080 0.000 0.993 157 S CB -0.299 62.809 63.200 -0.153 0.000 0.808 157 S HN 0.507 nan 8.310 nan 0.000 0.478 158 N N 0.948 119.639 118.700 -0.014 0.000 2.230 158 N HA 0.142 4.882 4.740 -0.000 0.000 0.202 158 N C -0.412 175.086 175.510 -0.020 0.000 1.119 158 N CA 0.080 53.116 53.050 -0.022 0.000 0.851 158 N CB 0.525 39.000 38.487 -0.021 0.000 0.990 158 N HN 0.158 nan 8.380 nan 0.000 0.497 159 V N 4.150 124.056 119.914 -0.014 0.000 2.585 159 V HA 0.109 4.229 4.120 -0.000 0.000 0.296 159 V C -1.488 174.535 176.094 -0.118 0.000 1.035 159 V CA -0.678 61.591 62.300 -0.052 0.000 1.084 159 V CB 0.812 32.603 31.823 -0.052 0.000 0.953 159 V HN 0.136 nan 8.190 nan 0.000 0.483 160 P HA 0.422 nan 4.420 nan 0.000 0.301 160 P C -1.381 175.778 177.300 -0.234 0.000 1.309 160 P CA -0.650 62.382 63.100 -0.113 0.000 0.782 160 P CB 0.844 32.545 31.700 0.002 0.000 1.282 161 Y N -1.340 118.973 120.300 0.021 0.000 2.419 161 Y HA 0.468 5.018 4.550 -0.000 0.000 0.328 161 Y C 0.612 176.518 175.900 0.009 0.000 1.162 161 Y CA -0.648 57.462 58.100 0.018 0.000 1.174 161 Y CB 1.448 39.919 38.460 0.019 0.000 1.228 161 Y HN 0.095 nan 8.280 nan 0.000 0.473 162 V N 0.538 120.550 119.914 0.163 0.000 2.769 162 V HA 0.629 4.749 4.120 -0.000 0.000 0.312 162 V C -0.641 175.497 176.094 0.074 0.000 1.061 162 V CA -1.148 61.204 62.300 0.088 0.000 0.931 162 V CB 1.944 33.795 31.823 0.047 0.000 1.010 162 V HN 0.869 nan 8.190 nan 0.000 0.433 163 M N 3.465 123.094 119.600 0.049 0.000 2.311 163 M HA 0.557 5.037 4.480 -0.000 0.000 0.325 163 M C -0.663 175.651 176.300 0.023 0.000 1.061 163 M CA -0.547 54.772 55.300 0.032 0.000 0.957 163 M CB 1.566 34.181 32.600 0.023 0.000 1.646 163 M HN 0.893 nan 8.290 nan 0.000 0.434 164 N N 3.497 122.208 118.700 0.019 0.000 2.407 164 N HA 0.032 4.772 4.740 -0.000 0.000 0.250 164 N C -0.475 175.042 175.510 0.013 0.000 1.236 164 N CA 0.219 53.278 53.050 0.014 0.000 0.879 164 N CB 0.442 38.937 38.487 0.013 0.000 1.088 164 N HN 0.601 nan 8.380 nan 0.000 0.450 165 R N 0.801 121.308 120.500 0.011 0.000 2.491 165 R HA 0.414 4.754 4.340 -0.000 0.000 0.283 165 R C 0.548 176.854 176.300 0.010 0.000 1.072 165 R CA 0.436 56.542 56.100 0.010 0.000 1.048 165 R CB -0.136 30.169 30.300 0.008 0.000 0.983 165 R HN 0.758 nan 8.270 nan 0.000 0.450 166 G N 1.490 110.296 108.800 0.010 0.000 2.278 166 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.265 166 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.265 166 G C -1.377 173.531 174.900 0.013 0.000 1.329 166 G CA -0.714 44.392 45.100 0.011 0.000 1.017 166 G HN 0.569 nan 8.290 nan 0.000 0.472 167 S N 0.578 116.287 115.700 0.015 0.000 2.545 167 S HA 0.588 5.058 4.470 -0.000 0.000 0.275 167 S C 0.501 175.114 174.600 0.021 0.000 1.299 167 S CA 0.053 58.264 58.200 0.019 0.000 1.048 167 S CB 1.089 64.302 63.200 0.022 0.000 0.938 167 S HN 0.808 nan 8.310 nan 0.000 0.496 168 T N 5.265 119.832 114.554 0.021 0.000 2.870 168 T HA 0.282 4.632 4.350 -0.000 0.000 0.300 168 T C -2.235 172.485 174.700 0.033 0.000 0.989 168 T CA -0.948 61.163 62.100 0.018 0.000 1.139 168 T CB -0.079 68.794 68.868 0.008 0.000 0.920 168 T HN 0.346 nan 8.240 nan 0.000 0.537 169 P HA 0.153 nan 4.420 nan 0.000 0.276 169 P C -0.548 176.791 177.300 0.064 0.000 1.235 169 P CA -0.697 62.436 63.100 0.055 0.000 0.772 169 P CB 0.178 31.901 31.700 0.038 0.000 0.871 170 Y N 2.477 122.778 120.300 0.001 0.000 2.895 170 Y HA 0.188 4.737 4.550 -0.000 0.000 0.334 170 Y C 1.627 177.528 175.900 0.001 0.000 1.261 170 Y CA 2.125 60.225 58.100 0.001 0.000 1.560 170 Y CB -0.180 38.281 38.460 0.001 0.000 1.253 170 Y HN 0.834 nan 8.280 nan 0.000 0.582 171 G N 2.273 110.632 108.800 -0.735 0.000 2.195 171 G HA2 0.146 4.106 3.960 -0.000 0.000 0.224 171 G HA3 0.146 4.106 3.960 -0.000 0.000 0.224 171 G C 0.634 175.394 174.900 -0.233 0.000 0.990 171 G CA 0.204 45.012 45.100 -0.487 0.000 0.639 171 G HN 2.183 nan 8.290 nan 0.000 0.514 172 G N -2.338 106.358 108.800 -0.173 0.000 2.655 172 G HA2 0.400 4.360 3.960 -0.000 0.000 0.680 172 G HA3 0.400 4.360 3.960 -0.000 0.000 0.680 172 G C -0.489 174.378 174.900 -0.056 0.000 1.302 172 G CA 0.396 45.436 45.100 -0.101 0.000 0.872 172 G HN 1.851 nan 8.290 nan 0.000 0.540 173 V N -0.146 119.744 119.914 -0.041 0.000 3.120 173 V HA 0.752 4.871 4.120 -0.000 0.000 0.303 173 V C -0.301 175.781 176.094 -0.020 0.000 1.238 173 V CA -0.438 61.849 62.300 -0.021 0.000 1.008 173 V CB 2.004 33.821 31.823 -0.010 0.000 1.064 173 V HN 1.129 nan 8.190 nan 0.000 0.434 174 K N 5.479 125.875 120.400 -0.008 0.000 2.248 174 K HA 0.520 4.839 4.320 -0.000 0.000 0.281 174 K C -0.797 175.810 176.600 0.013 0.000 1.054 174 K CA -0.584 55.702 56.287 -0.003 0.000 0.903 174 K CB 0.771 33.276 32.500 0.009 0.000 1.077 174 K HN 0.669 nan 8.250 nan 0.000 0.474 175 L N 4.719 125.946 121.223 0.006 0.000 2.418 175 L HA 0.127 4.467 4.340 -0.000 0.000 0.274 175 L C 0.440 177.379 176.870 0.114 0.000 1.135 175 L CA 0.211 55.076 54.840 0.043 0.000 0.870 175 L CB 0.414 42.480 42.059 0.013 0.000 1.154 175 L HN 0.644 nan 8.230 nan 0.000 0.462 176 E N 2.110 122.386 120.200 0.127 0.000 2.331 176 E HA 0.059 4.409 4.350 -0.000 0.000 0.272 176 E C -0.556 176.172 176.600 0.212 0.000 1.036 176 E CA -0.576 55.911 56.400 0.144 0.000 0.864 176 E CB 1.370 31.113 29.700 0.073 0.000 1.035 176 E HN 0.390 nan 8.360 nan 0.000 0.408 177 D N 2.998 123.512 120.400 0.190 0.000 2.317 177 D HA 0.028 4.668 4.640 -0.000 0.000 0.252 177 D C 0.839 177.098 176.300 -0.067 0.000 1.174 177 D CA 0.043 54.042 54.000 -0.002 0.000 0.866 177 D CB 0.930 41.748 40.800 0.030 0.000 1.127 177 D HN 0.432 nan 8.370 nan 0.000 0.467 178 L N 4.200 125.345 121.223 -0.130 0.000 2.275 178 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 178 L C 2.261 179.074 176.870 -0.097 0.000 1.119 178 L CA 0.357 55.144 54.840 -0.089 0.000 0.790 178 L CB -0.100 41.910 42.059 -0.081 0.000 0.919 178 L HN 0.548 nan 8.230 nan 0.000 0.443 179 I N -0.765 119.734 120.570 -0.118 0.000 2.163 179 I HA -0.276 3.893 4.170 -0.000 0.000 0.243 179 I C 2.387 178.445 176.117 -0.099 0.000 1.085 179 I CA 1.207 62.440 61.300 -0.112 0.000 1.347 179 I CB -0.228 37.695 38.000 -0.128 0.000 1.044 179 I HN 0.036 nan 8.210 nan 0.000 0.408 180 V N 0.644 120.519 119.914 -0.066 0.000 2.283 180 V HA -0.245 3.875 4.120 -0.000 0.000 0.243 180 V C 2.467 178.526 176.094 -0.058 0.000 1.039 180 V CA 1.787 64.064 62.300 -0.038 0.000 1.016 180 V CB -0.628 31.213 31.823 0.030 0.000 0.650 180 V HN 0.365 nan 8.190 nan 0.000 0.449 181 K N -0.224 120.150 120.400 -0.044 0.000 2.025 181 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 181 K C 1.725 178.282 176.600 -0.071 0.000 1.049 181 K CA 1.900 58.160 56.287 -0.046 0.000 0.933 181 K CB -0.075 32.410 32.500 -0.025 0.000 0.714 181 K HN 0.433 nan 8.250 nan 0.000 0.438 182 D N -1.247 119.107 120.400 -0.076 0.000 2.262 182 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 182 D C 1.695 177.933 176.300 -0.104 0.000 0.964 182 D CA 0.924 54.874 54.000 -0.083 0.000 0.875 182 D CB 0.039 40.798 40.800 -0.069 0.000 0.996 182 D HN 0.393 nan 8.370 nan 0.000 0.497 183 G N 0.167 108.896 108.800 -0.118 0.000 2.411 183 G HA2 0.005 3.965 3.960 -0.000 0.000 0.213 183 G HA3 0.005 3.965 3.960 -0.000 0.000 0.213 183 G C 1.403 176.193 174.900 -0.185 0.000 1.166 183 G CA 0.161 45.175 45.100 -0.144 0.000 0.802 183 G HN 0.220 nan 8.290 nan 0.000 0.533 184 L N 0.296 121.390 121.223 -0.215 0.000 2.920 184 L HA 0.262 4.602 4.340 -0.000 0.000 0.257 184 L C 0.072 176.713 176.870 -0.382 0.000 1.150 184 L CA 0.035 54.663 54.840 -0.353 0.000 0.959 184 L CB 1.027 42.798 42.059 -0.481 0.000 1.321 184 L HN -0.068 nan 8.230 nan 0.000 0.555 185 T N 0.113 114.535 114.554 -0.220 0.000 2.767 185 T HA 0.162 4.512 4.350 -0.000 0.000 0.284 185 T C -0.516 174.110 174.700 -0.124 0.000 0.973 185 T CA -0.310 61.705 62.100 -0.141 0.000 0.996 185 T CB 1.798 70.618 68.868 -0.081 0.000 0.927 185 T HN -0.019 nan 8.240 nan 0.000 0.456 186 D N 2.445 122.799 120.400 -0.078 0.000 2.383 186 D HA 0.133 4.773 4.640 -0.000 0.000 0.252 186 D C 1.227 177.442 176.300 -0.142 0.000 1.166 186 D CA -0.227 53.739 54.000 -0.056 0.000 0.879 186 D CB 0.888 41.728 40.800 0.065 0.000 1.164 186 D HN 0.159 nan 8.370 nan 0.000 0.462 187 V N 3.976 123.677 119.914 -0.356 0.000 2.343 187 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 187 V C 1.321 177.115 176.094 -0.499 0.000 1.051 187 V CA 1.593 63.558 62.300 -0.558 0.000 1.036 187 V CB -0.897 30.374 31.823 -0.919 0.000 0.654 187 V HN 0.683 nan 8.190 nan 0.000 0.451 188 Y N -0.002 120.306 120.300 0.014 0.000 2.314 188 Y HA 0.057 4.607 4.550 -0.000 0.000 0.294 188 Y C 2.384 178.296 175.900 0.020 0.000 1.119 188 Y CA 0.815 58.925 58.100 0.016 0.000 1.179 188 Y CB -0.482 37.989 38.460 0.017 0.000 1.025 188 Y HN 0.245 nan 8.280 nan 0.000 0.541 189 N N 0.433 119.214 118.700 0.135 0.000 2.392 189 N HA -0.034 4.706 4.740 -0.000 0.000 0.177 189 N C 0.037 175.578 175.510 0.053 0.000 1.066 189 N CA 0.539 53.646 53.050 0.094 0.000 0.895 189 N CB 0.104 38.653 38.487 0.103 0.000 0.988 189 N HN 0.250 nan 8.380 nan 0.000 0.457 190 K N 0.654 121.065 120.400 0.019 0.000 3.117 190 K HA -0.161 4.158 4.320 -0.000 0.000 0.269 190 K C -0.361 176.262 176.600 0.039 0.000 1.098 190 K CA 0.535 56.827 56.287 0.009 0.000 0.785 190 K CB -2.017 30.489 32.500 0.011 0.000 1.242 190 K HN 0.446 nan 8.250 nan 0.000 0.491 191 I N -4.450 116.152 120.570 0.054 0.000 2.969 191 I HA 0.433 4.603 4.170 -0.000 0.000 0.307 191 I C 0.575 176.758 176.117 0.111 0.000 1.149 191 I CA -1.372 59.986 61.300 0.097 0.000 1.008 191 I CB 1.575 39.635 38.000 0.100 0.000 1.232 191 I HN -0.046 nan 8.210 nan 0.000 0.435 192 H N 4.104 123.213 119.070 0.066 0.000 2.948 192 H HA 0.132 4.688 4.556 -0.000 0.000 0.351 192 H C 0.820 176.135 175.328 -0.023 0.000 1.079 192 H CA 0.372 56.448 56.048 0.046 0.000 1.407 192 H CB 1.238 31.087 29.762 0.144 0.000 1.373 192 H HN 0.698 nan 8.280 nan 0.000 0.605 193 M N 3.401 122.980 119.600 -0.035 0.000 2.192 193 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 193 M C 2.296 178.588 176.300 -0.013 0.000 1.071 193 M CA 1.557 56.930 55.300 0.121 0.000 1.082 193 M CB -1.479 31.172 32.600 0.085 0.000 1.373 193 M HN 0.761 nan 8.290 nan 0.000 0.408 194 G N -0.500 108.206 108.800 -0.156 0.000 2.408 194 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 194 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 194 G C 1.700 176.191 174.900 -0.683 0.000 1.150 194 G CA 1.074 45.421 45.100 -1.255 0.000 0.776 194 G HN 0.501 nan 8.290 nan 0.000 0.542 195 S N -0.302 115.253 115.700 -0.241 0.000 2.387 195 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 195 S C 2.391 176.951 174.600 -0.068 0.000 1.026 195 S CA 0.955 59.139 58.200 -0.026 0.000 0.972 195 S CB -0.370 62.891 63.200 0.102 0.000 0.814 195 S HN 0.507 nan 8.310 nan 0.000 0.477 196 C N 2.005 121.276 119.300 -0.049 0.000 2.425 196 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 196 C C 3.061 177.903 174.990 -0.248 0.000 1.280 196 C CA 0.504 59.493 59.018 -0.048 0.000 1.744 196 C CB -1.511 26.339 27.740 0.184 0.000 1.989 196 C HN 0.677 nan 8.230 nan 0.000 0.491 197 A N 0.540 123.120 122.820 -0.400 0.000 1.933 197 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 197 A C 2.079 179.470 177.584 -0.322 0.000 1.175 197 A CA 1.534 53.251 52.037 -0.533 0.000 0.628 197 A CB -0.435 18.061 19.000 -0.841 0.000 0.814 197 A HN 0.602 nan 8.150 nan 0.000 0.444 198 E N 0.058 120.123 120.200 -0.226 0.000 2.118 198 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 198 E C 1.788 178.326 176.600 -0.103 0.000 0.992 198 E CA 1.430 57.760 56.400 -0.118 0.000 0.804 198 E CB -0.474 29.196 29.700 -0.051 0.000 0.741 198 E HN 0.706 nan 8.360 nan 0.000 0.458 199 N N 0.181 118.811 118.700 -0.115 0.000 2.104 199 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 199 N C 1.682 177.126 175.510 -0.109 0.000 1.024 199 N CA 2.019 55.012 53.050 -0.095 0.000 0.853 199 N CB -0.147 38.285 38.487 -0.092 0.000 1.008 199 N HN 0.011 nan 8.380 nan 0.000 0.424 200 T N -0.377 114.080 114.554 -0.161 0.000 2.857 200 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 200 T C 1.820 176.450 174.700 -0.116 0.000 1.048 200 T CA 1.078 63.086 62.100 -0.153 0.000 1.139 200 T CB -0.504 68.232 68.868 -0.221 0.000 0.874 200 T HN 0.399 nan 8.240 nan 0.000 0.455 201 A N 1.678 124.428 122.820 -0.116 0.000 1.908 201 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 201 A C 2.223 179.773 177.584 -0.056 0.000 1.181 201 A CA 1.908 53.898 52.037 -0.079 0.000 0.627 201 A CB -0.511 18.449 19.000 -0.067 0.000 0.818 201 A HN 0.449 nan 8.150 nan 0.000 0.445 202 K N -0.181 120.186 120.400 -0.054 0.000 1.985 202 K HA -0.160 4.159 4.320 -0.000 0.000 0.210 202 K C 2.100 178.677 176.600 -0.038 0.000 1.047 202 K CA 1.760 58.023 56.287 -0.039 0.000 0.932 202 K CB -0.202 32.277 32.500 -0.035 0.000 0.716 202 K HN 0.424 nan 8.250 nan 0.000 0.439 203 K N 0.330 120.702 120.400 -0.046 0.000 2.063 203 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 203 K C 1.878 178.454 176.600 -0.040 0.000 1.048 203 K CA 1.236 57.498 56.287 -0.041 0.000 0.928 203 K CB -0.045 32.428 32.500 -0.044 0.000 0.713 203 K HN 0.236 nan 8.250 nan 0.000 0.442 204 L N 0.914 122.106 121.223 -0.050 0.000 2.607 204 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 204 L C -0.399 176.446 176.870 -0.041 0.000 1.123 204 L CA -0.176 54.634 54.840 -0.049 0.000 0.890 204 L CB -0.324 41.697 42.059 -0.064 0.000 1.103 204 L HN 0.256 nan 8.230 nan 0.000 0.468 205 N N 1.577 120.255 118.700 -0.036 0.000 2.696 205 N HA -0.184 4.556 4.740 -0.000 0.000 0.256 205 N C -0.421 175.073 175.510 -0.026 0.000 1.031 205 N CA 0.750 53.784 53.050 -0.027 0.000 0.730 205 N CB -1.318 37.156 38.487 -0.022 0.000 0.894 205 N HN 0.351 nan 8.380 nan 0.000 0.544 206 I N 0.555 121.106 120.570 -0.031 0.000 2.330 206 I HA 0.391 4.560 4.170 -0.000 0.000 0.286 206 I C 0.945 177.055 176.117 -0.012 0.000 1.025 206 I CA -0.493 60.791 61.300 -0.026 0.000 1.197 206 I CB 1.315 39.290 38.000 -0.041 0.000 1.358 206 I HN 0.234 nan 8.210 nan 0.000 0.467 207 A N 5.197 128.017 122.820 -0.001 0.000 2.332 207 A HA 0.337 4.657 4.320 -0.000 0.000 0.258 207 A C 1.448 179.046 177.584 0.023 0.000 1.087 207 A CA -0.377 51.665 52.037 0.009 0.000 0.802 207 A CB 0.527 19.532 19.000 0.009 0.000 1.042 207 A HN 0.849 nan 8.150 nan 0.000 0.489 208 R N 1.021 121.538 120.500 0.029 0.000 2.133 208 R HA -0.219 4.121 4.340 -0.000 0.000 0.245 208 R C 1.296 177.626 176.300 0.050 0.000 1.137 208 R CA 2.840 58.966 56.100 0.044 0.000 0.947 208 R CB -0.724 29.600 30.300 0.039 0.000 0.865 208 R HN 0.810 nan 8.270 nan 0.000 0.437 209 N N 0.398 119.121 118.700 0.038 0.000 2.166 209 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 209 N C 1.573 177.111 175.510 0.046 0.000 1.019 209 N CA 1.606 54.678 53.050 0.037 0.000 0.856 209 N CB -0.316 38.186 38.487 0.024 0.000 0.993 209 N HN 0.548 nan 8.380 nan 0.000 0.426 210 E N 0.703 120.930 120.200 0.044 0.000 2.106 210 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 210 E C 1.659 178.316 176.600 0.094 0.000 0.984 210 E CA 0.839 57.272 56.400 0.055 0.000 0.806 210 E CB 0.150 29.871 29.700 0.035 0.000 0.750 210 E HN 0.429 nan 8.360 nan 0.000 0.458 211 Q N 0.145 120.000 119.800 0.091 0.000 2.046 211 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 211 Q C 1.802 177.906 176.000 0.173 0.000 0.975 211 Q CA 1.360 57.241 55.803 0.130 0.000 0.836 211 Q CB 0.031 28.834 28.738 0.107 0.000 0.896 211 Q HN 0.252 nan 8.270 nan 0.000 0.428 212 D N 0.642 121.121 120.400 0.131 0.000 2.149 212 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 212 D C 1.732 178.091 176.300 0.099 0.000 0.990 212 D CA 1.367 55.440 54.000 0.122 0.000 0.839 212 D CB -0.171 40.680 40.800 0.085 0.000 0.948 212 D HN 0.270 nan 8.370 nan 0.000 0.460 213 A N -0.155 122.712 122.820 0.078 0.000 1.898 213 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 213 A C 2.190 179.801 177.584 0.044 0.000 1.181 213 A CA 1.155 53.212 52.037 0.033 0.000 0.620 213 A CB -1.020 17.997 19.000 0.029 0.000 0.819 213 A HN 0.325 nan 8.150 nan 0.000 0.442 214 Y N 0.670 120.987 120.300 0.028 0.000 2.128 214 Y HA -0.145 4.405 4.550 -0.000 0.000 0.284 214 Y C 2.697 178.639 175.900 0.070 0.000 1.154 214 Y CA 1.494 59.616 58.100 0.037 0.000 1.149 214 Y CB -0.508 37.975 38.460 0.037 0.000 0.976 214 Y HN 0.318 nan 8.280 nan 0.000 0.505 215 A N 0.403 123.378 122.820 0.258 0.000 1.883 215 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 215 A C 2.279 180.023 177.584 0.268 0.000 1.186 215 A CA 2.185 54.392 52.037 0.283 0.000 0.624 215 A CB -1.239 17.962 19.000 0.336 0.000 0.822 215 A HN 0.589 nan 8.150 nan 0.000 0.444 216 I N -0.000 120.650 120.570 0.135 0.000 2.226 216 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 216 I C 2.407 178.478 176.117 -0.077 0.000 1.100 216 I CA 1.747 63.034 61.300 -0.021 0.000 1.374 216 I CB -0.504 37.301 38.000 -0.324 0.000 1.057 216 I HN 0.595 nan 8.210 nan 0.000 0.413 217 N N 0.259 118.865 118.700 -0.156 0.000 2.104 217 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 217 N C 1.925 177.326 175.510 -0.182 0.000 1.024 217 N CA 1.982 54.904 53.050 -0.212 0.000 0.853 217 N CB -0.140 38.142 38.487 -0.342 0.000 1.008 217 N HN 0.197 nan 8.380 nan 0.000 0.424 218 S N -1.343 114.215 115.700 -0.236 0.000 2.345 218 S HA -0.130 4.340 4.470 -0.000 0.000 0.220 218 S C 1.718 176.300 174.600 -0.030 0.000 1.031 218 S CA 0.996 59.091 58.200 -0.175 0.000 0.996 218 S CB -0.693 62.406 63.200 -0.168 0.000 0.882 218 S HN 0.508 nan 8.310 nan 0.000 0.445 219 Y N 1.930 122.296 120.300 0.110 0.000 2.165 219 Y HA -0.129 4.421 4.550 -0.000 0.000 0.286 219 Y C 2.988 179.032 175.900 0.240 0.000 1.155 219 Y CA 1.898 60.141 58.100 0.239 0.000 1.164 219 Y CB -1.036 37.664 38.460 0.398 0.000 0.978 219 Y HN 0.291 nan 8.280 nan 0.000 0.513 220 T N -0.414 114.341 114.554 0.334 0.000 2.777 220 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 220 T C 1.925 176.702 174.700 0.129 0.000 1.040 220 T CA 1.409 63.651 62.100 0.235 0.000 1.141 220 T CB -0.181 68.748 68.868 0.101 0.000 0.868 220 T HN 0.279 nan 8.240 nan 0.000 0.444 221 R N 0.877 121.411 120.500 0.057 0.000 2.075 221 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 221 R C 2.949 179.262 176.300 0.022 0.000 1.126 221 R CA 1.334 57.445 56.100 0.018 0.000 0.963 221 R CB -0.338 29.949 30.300 -0.021 0.000 0.858 221 R HN 0.220 nan 8.270 nan 0.000 0.435 222 S N 0.898 116.610 115.700 0.020 0.000 2.353 222 S HA -0.198 4.272 4.470 -0.000 0.000 0.222 222 S C 1.812 176.330 174.600 -0.136 0.000 1.035 222 S CA 1.422 59.599 58.200 -0.038 0.000 1.025 222 S CB -0.149 63.003 63.200 -0.081 0.000 0.902 222 S HN 0.303 nan 8.310 nan 0.000 0.440 223 K N 1.278 121.642 120.400 -0.059 0.000 2.032 223 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 223 K C 2.221 178.899 176.600 0.130 0.000 1.048 223 K CA 1.313 57.643 56.287 0.072 0.000 0.927 223 K CB -0.406 32.297 32.500 0.338 0.000 0.712 223 K HN 0.287 nan 8.250 nan 0.000 0.441 224 A N 0.902 123.783 122.820 0.101 0.000 1.908 224 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 224 A C 2.319 179.921 177.584 0.029 0.000 1.181 224 A CA 1.998 54.078 52.037 0.072 0.000 0.627 224 A CB -0.834 18.195 19.000 0.047 0.000 0.818 224 A HN 0.519 nan 8.150 nan 0.000 0.445 225 A N -1.706 121.105 122.820 -0.015 0.000 1.898 225 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 225 A C 1.980 179.472 177.584 -0.153 0.000 1.181 225 A CA 1.215 53.149 52.037 -0.171 0.000 0.620 225 A CB -0.830 17.997 19.000 -0.287 0.000 0.819 225 A HN 0.729 nan 8.150 nan 0.000 0.442 226 W N 0.216 121.580 121.300 0.107 0.000 2.355 226 W HA -0.122 4.538 4.660 0.000 0.000 0.309 226 W C 2.369 178.951 176.519 0.104 0.000 1.206 226 W CA 1.490 58.935 57.345 0.168 0.000 1.284 226 W CB -0.135 29.354 29.460 0.048 0.000 1.145 226 W HN 0.415 nan 8.180 nan 0.000 0.502 227 E N -0.416 119.960 120.200 0.294 0.000 2.110 227 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 227 E C 2.046 178.713 176.600 0.112 0.000 0.988 227 E CA 1.170 57.688 56.400 0.198 0.000 0.804 227 E CB -0.380 29.417 29.700 0.162 0.000 0.745 227 E HN 0.206 nan 8.360 nan 0.000 0.458 228 A N 0.282 123.129 122.820 0.046 0.000 2.259 228 A HA 0.228 4.548 4.320 -0.000 0.000 0.208 228 A C 1.570 179.126 177.584 -0.047 0.000 1.201 228 A CA 0.704 52.733 52.037 -0.013 0.000 0.824 228 A CB -0.452 18.515 19.000 -0.056 0.000 0.838 228 A HN 0.311 nan 8.150 nan 0.000 0.485 229 G N -0.175 108.616 108.800 -0.015 0.000 2.198 229 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 229 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 229 G C 0.714 175.497 174.900 -0.195 0.000 1.025 229 G CA 0.790 45.870 45.100 -0.032 0.000 0.769 229 G HN 0.562 nan 8.290 nan 0.000 0.507 230 K N -1.108 119.041 120.400 -0.418 0.000 2.504 230 K HA 0.207 4.527 4.320 -0.000 0.000 0.195 230 K C 0.836 176.944 176.600 -0.820 0.000 1.036 230 K CA 0.570 56.480 56.287 -0.628 0.000 0.984 230 K CB -0.036 32.018 32.500 -0.743 0.000 0.788 230 K HN 0.469 nan 8.250 nan 0.000 0.488 231 F N -1.200 118.477 119.950 -0.456 0.000 2.668 231 F HA 0.238 4.765 4.527 0.000 0.000 0.301 231 F C 1.745 177.373 175.800 -0.286 0.000 1.106 231 F CA -0.587 57.130 58.000 -0.473 0.000 1.289 231 F CB 0.347 38.784 39.000 -0.939 0.000 1.006 231 F HN -0.050 nan 8.300 nan 0.000 0.535 232 G N 0.237 108.976 108.800 -0.103 0.000 2.422 232 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 232 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 232 G C 1.559 176.424 174.900 -0.059 0.000 1.140 232 G CA 0.670 45.751 45.100 -0.031 0.000 0.775 232 G HN 0.212 nan 8.290 nan 0.000 0.545 233 N N -0.222 118.383 118.700 -0.159 0.000 2.299 233 N HA 0.055 4.795 4.740 -0.000 0.000 0.187 233 N C 1.677 176.943 175.510 -0.407 0.000 1.099 233 N CA 0.455 53.372 53.050 -0.222 0.000 0.867 233 N CB 0.702 39.068 38.487 -0.202 0.000 0.974 233 N HN 0.640 nan 8.380 nan 0.000 0.477 234 E N -0.131 119.854 120.200 -0.359 0.000 2.175 234 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 234 E C -0.197 176.398 176.600 -0.009 0.000 0.934 234 E CA 0.230 56.466 56.400 -0.275 0.000 0.870 234 E CB 0.637 30.267 29.700 -0.118 0.000 0.838 234 E HN -0.183 nan 8.360 nan 0.000 0.474 235 V N 3.436 123.385 119.914 0.058 0.000 2.481 235 V HA 0.282 4.402 4.120 -0.000 0.000 0.286 235 V C 0.266 176.428 176.094 0.113 0.000 1.042 235 V CA -0.541 61.835 62.300 0.127 0.000 0.928 235 V CB 1.256 33.233 31.823 0.258 0.000 0.986 235 V HN 0.247 nan 8.190 nan 0.000 0.462 236 I N 3.441 124.068 120.570 0.096 0.000 2.493 236 I HA 0.669 4.839 4.170 -0.000 0.000 0.298 236 I C -2.490 173.673 176.117 0.077 0.000 0.998 236 I CA -2.568 58.779 61.300 0.079 0.000 1.137 236 I CB 2.069 40.102 38.000 0.056 0.000 1.310 236 I HN 0.367 nan 8.210 nan 0.000 0.445 237 P HA 0.122 nan 4.420 nan 0.000 0.269 237 P C -0.664 176.655 177.300 0.032 0.000 1.215 237 P CA -0.135 62.996 63.100 0.050 0.000 0.780 237 P CB 1.468 33.195 31.700 0.046 0.000 0.898 238 V N 2.653 122.579 119.914 0.019 0.000 2.448 238 V HA 0.257 4.377 4.120 -0.000 0.000 0.295 238 V C 0.366 176.462 176.094 0.003 0.000 1.025 238 V CA -0.288 62.019 62.300 0.011 0.000 0.859 238 V CB 1.812 33.640 31.823 0.008 0.000 0.988 238 V HN 0.513 nan 8.190 nan 0.000 0.431 239 T N 4.698 119.254 114.554 0.003 0.000 2.733 239 T HA 0.417 4.767 4.350 -0.000 0.000 0.294 239 T C -0.165 174.532 174.700 -0.005 0.000 0.956 239 T CA -0.170 61.929 62.100 -0.001 0.000 0.987 239 T CB 1.085 69.954 68.868 0.001 0.000 0.920 239 T HN 0.356 nan 8.240 nan 0.000 0.470 240 V N 5.333 125.241 119.914 -0.010 0.000 2.364 240 V HA 0.438 4.557 4.120 -0.000 0.000 0.272 240 V C 0.722 176.809 176.094 -0.012 0.000 1.036 240 V CA -0.787 61.505 62.300 -0.012 0.000 0.880 240 V CB 0.968 32.780 31.823 -0.018 0.000 0.991 240 V HN 1.039 nan 8.190 nan 0.000 0.460 241 T N 2.667 117.215 114.554 -0.010 0.000 2.770 241 T HA 0.757 5.107 4.350 -0.000 0.000 0.283 241 T C -0.720 173.973 174.700 -0.011 0.000 0.988 241 T CA -0.642 61.453 62.100 -0.009 0.000 0.957 241 T CB 1.459 70.323 68.868 -0.006 0.000 0.930 241 T HN 0.248 nan 8.240 nan 0.000 0.443 242 V N 3.536 123.443 119.914 -0.012 0.000 2.555 242 V HA 0.486 4.606 4.120 -0.000 0.000 0.302 242 V C 0.403 176.491 176.094 -0.010 0.000 1.038 242 V CA -1.240 61.052 62.300 -0.012 0.000 0.887 242 V CB 1.834 33.648 31.823 -0.015 0.000 0.991 242 V HN 1.008 nan 8.190 nan 0.000 0.434 243 K N 2.459 122.853 120.400 -0.009 0.000 2.416 243 K HA 0.399 4.718 4.320 -0.000 0.000 0.283 243 K C 1.192 177.787 176.600 -0.009 0.000 1.037 243 K CA 1.163 57.445 56.287 -0.008 0.000 0.995 243 K CB 0.136 32.631 32.500 -0.007 0.000 0.938 243 K HN 1.123 nan 8.250 nan 0.000 0.475 244 G N 2.512 111.308 108.800 -0.008 0.000 2.241 244 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.244 244 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.244 244 G C -0.159 174.735 174.900 -0.009 0.000 0.998 244 G CA -0.142 44.953 45.100 -0.008 0.000 0.621 244 G HN 0.571 nan 8.290 nan 0.000 0.519 245 Q N 0.800 120.594 119.800 -0.010 0.000 2.241 245 Q HA 0.588 4.928 4.340 -0.000 0.000 0.262 245 Q C -2.242 173.752 176.000 -0.011 0.000 1.014 245 Q CA -1.595 54.201 55.803 -0.011 0.000 0.885 245 Q CB 1.701 30.431 28.738 -0.014 0.000 1.311 245 Q HN 0.365 nan 8.270 nan 0.000 0.461 246 P HA 0.150 nan 4.420 nan 0.000 0.274 246 P C -0.739 176.554 177.300 -0.012 0.000 1.231 246 P CA -0.389 62.705 63.100 -0.010 0.000 0.790 246 P CB 0.585 32.279 31.700 -0.011 0.000 0.951 247 D N 0.093 120.487 120.400 -0.010 0.000 2.472 247 D HA 0.126 4.766 4.640 -0.000 0.000 0.237 247 D C -0.143 176.149 176.300 -0.013 0.000 1.141 247 D CA 0.340 54.334 54.000 -0.010 0.000 0.875 247 D CB 0.299 41.094 40.800 -0.007 0.000 1.192 247 D HN -0.018 nan 8.370 nan 0.000 0.450 248 V N 2.381 122.285 119.914 -0.016 0.000 2.417 248 V HA 0.237 4.357 4.120 -0.000 0.000 0.291 248 V C 0.105 176.188 176.094 -0.018 0.000 1.024 248 V CA -0.872 61.416 62.300 -0.020 0.000 0.861 248 V CB 1.908 33.715 31.823 -0.026 0.000 0.985 248 V HN 0.227 nan 8.190 nan 0.000 0.436 249 V N 5.894 125.797 119.914 -0.018 0.000 2.348 249 V HA 0.272 4.392 4.120 -0.000 0.000 0.270 249 V C 0.083 176.162 176.094 -0.025 0.000 1.037 249 V CA -0.498 61.793 62.300 -0.014 0.000 0.872 249 V CB 1.481 33.300 31.823 -0.006 0.000 1.002 249 V HN 0.633 nan 8.190 nan 0.000 0.464 250 V N 6.969 126.867 119.914 -0.026 0.000 2.389 250 V HA 0.249 4.369 4.120 -0.000 0.000 0.264 250 V C 1.059 177.133 176.094 -0.035 0.000 1.049 250 V CA -0.282 61.992 62.300 -0.044 0.000 0.932 250 V CB 0.704 32.502 31.823 -0.042 0.000 1.011 250 V HN 1.032 nan 8.190 nan 0.000 0.475 251 K N 3.616 123.982 120.400 -0.057 0.000 2.412 251 K HA 0.321 4.641 4.320 -0.000 0.000 0.202 251 K C 0.294 176.836 176.600 -0.096 0.000 1.102 251 K CA -0.233 56.042 56.287 -0.021 0.000 1.027 251 K CB 0.972 33.481 32.500 0.016 0.000 0.931 251 K HN 0.755 nan 8.250 nan 0.000 0.557 252 E N 0.832 120.849 120.200 -0.304 0.000 2.416 252 E HA 0.244 4.594 4.350 -0.000 0.000 0.273 252 E C -1.438 174.830 176.600 -0.554 0.000 0.935 252 E CA -1.043 54.865 56.400 -0.820 0.000 0.784 252 E CB 0.919 29.813 29.700 -1.344 0.000 1.301 252 E HN -0.120 nan 8.360 nan 0.000 0.454 253 D N 1.401 121.443 120.400 -0.596 0.000 2.493 253 D HA -0.061 4.579 4.640 -0.000 0.000 0.240 253 D C 0.434 176.628 176.300 -0.177 0.000 1.142 253 D CA 0.557 54.453 54.000 -0.174 0.000 0.872 253 D CB 1.268 42.111 40.800 0.071 0.000 1.173 253 D HN 0.617 nan 8.370 nan 0.000 0.467 254 E N 1.557 121.686 120.200 -0.118 0.000 2.122 254 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 254 E C 1.271 177.789 176.600 -0.137 0.000 0.977 254 E CA 0.447 56.755 56.400 -0.153 0.000 0.820 254 E CB 0.302 29.947 29.700 -0.092 0.000 0.770 254 E HN 0.301 nan 8.360 nan 0.000 0.462 255 E N 0.008 120.201 120.200 -0.011 0.000 2.110 255 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 255 E C 1.870 178.546 176.600 0.126 0.000 0.988 255 E CA 1.574 58.011 56.400 0.061 0.000 0.804 255 E CB -0.443 29.316 29.700 0.098 0.000 0.745 255 E HN 0.545 nan 8.360 nan 0.000 0.458 256 Y N -0.269 120.083 120.300 0.086 0.000 2.497 256 Y HA 0.060 4.610 4.550 0.000 0.000 0.292 256 Y C 1.435 177.477 175.900 0.237 0.000 1.137 256 Y CA 0.923 59.158 58.100 0.225 0.000 1.285 256 Y CB -0.222 38.326 38.460 0.147 0.000 0.991 256 Y HN -0.123 nan 8.280 nan 0.000 0.556 257 K N 0.754 120.873 120.400 -0.468 0.000 2.418 257 K HA 0.102 4.422 4.320 -0.000 0.000 0.195 257 K C 0.352 176.835 176.600 -0.195 0.000 1.035 257 K CA 0.300 56.343 56.287 -0.406 0.000 1.003 257 K CB 0.043 32.217 32.500 -0.544 0.000 0.793 257 K HN 0.297 nan 8.250 nan 0.000 0.494 258 R N 1.350 121.795 120.500 -0.093 0.000 3.785 258 R HA 0.211 4.551 4.340 -0.000 0.000 0.255 258 R C -0.983 175.249 176.300 -0.112 0.000 1.485 258 R CA -0.162 55.894 56.100 -0.074 0.000 1.555 258 R CB 0.735 31.029 30.300 -0.011 0.000 1.362 258 R HN -0.111 nan 8.270 nan 0.000 0.702 259 V N 0.560 120.319 119.914 -0.258 0.000 3.049 259 V HA 0.381 4.500 4.120 -0.000 0.000 0.309 259 V C -1.647 174.190 176.094 -0.428 0.000 1.148 259 V CA -0.743 61.279 62.300 -0.463 0.000 0.990 259 V CB 2.670 33.909 31.823 -0.973 0.000 1.039 259 V HN 0.344 nan 8.190 nan 0.000 0.430 260 D N 4.105 124.301 120.400 -0.340 0.000 2.402 260 D HA 0.303 4.942 4.640 -0.000 0.000 0.252 260 D C 0.398 176.632 176.300 -0.109 0.000 1.294 260 D CA -0.349 53.495 54.000 -0.260 0.000 0.948 260 D CB 1.127 41.843 40.800 -0.139 0.000 1.202 260 D HN 0.291 nan 8.370 nan 0.000 0.561 261 F N 1.653 121.546 119.950 -0.094 0.000 2.161 261 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 261 F C 2.719 178.496 175.800 -0.038 0.000 1.089 261 F CA 1.307 59.267 58.000 -0.066 0.000 1.282 261 F CB -1.101 37.876 39.000 -0.039 0.000 1.010 261 F HN 0.424 nan 8.300 nan 0.000 0.485 262 S N -0.263 115.522 115.700 0.143 0.000 2.399 262 S HA -0.183 4.286 4.470 -0.000 0.000 0.231 262 S C 1.829 176.458 174.600 0.049 0.000 1.022 262 S CA 1.098 59.344 58.200 0.077 0.000 0.983 262 S CB -0.472 62.754 63.200 0.044 0.000 0.803 262 S HN 0.430 nan 8.310 nan 0.000 0.480 263 K N 0.469 120.889 120.400 0.033 0.000 2.314 263 K HA 0.237 4.557 4.320 -0.000 0.000 0.198 263 K C 1.920 178.540 176.600 0.033 0.000 1.045 263 K CA 0.539 56.837 56.287 0.019 0.000 0.988 263 K CB -0.208 32.289 32.500 -0.005 0.000 0.783 263 K HN 0.193 nan 8.250 nan 0.000 0.484 264 V N 2.630 122.578 119.914 0.056 0.000 2.250 264 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 264 V C -0.984 175.147 176.094 0.061 0.000 1.060 264 V CA 2.094 64.437 62.300 0.071 0.000 1.030 264 V CB -1.047 30.841 31.823 0.109 0.000 0.643 264 V HN 0.288 nan 8.190 nan 0.000 0.445 265 P HA -0.085 nan 4.420 nan 0.000 0.242 265 P C 1.042 178.361 177.300 0.031 0.000 1.197 265 P CA 1.163 64.288 63.100 0.041 0.000 0.765 265 P CB -0.050 31.671 31.700 0.035 0.000 0.936 266 K N -0.801 119.615 120.400 0.028 0.000 2.334 266 K HA 0.166 4.486 4.320 -0.000 0.000 0.195 266 K C 1.044 177.652 176.600 0.013 0.000 1.045 266 K CA -0.111 56.186 56.287 0.017 0.000 1.004 266 K CB 0.018 32.526 32.500 0.013 0.000 0.837 266 K HN 0.184 nan 8.250 nan 0.000 0.510 267 L N 2.456 123.690 121.223 0.018 0.000 2.506 267 L HA -0.012 4.328 4.340 -0.000 0.000 0.281 267 L C 0.473 177.345 176.870 0.003 0.000 1.228 267 L CA 0.237 55.083 54.840 0.010 0.000 0.850 267 L CB 0.149 42.221 42.059 0.021 0.000 1.110 267 L HN 0.046 nan 8.230 nan 0.000 0.496 268 K N 0.740 121.130 120.400 -0.016 0.000 2.202 268 K HA 0.141 4.461 4.320 -0.000 0.000 0.264 268 K C 0.179 176.755 176.600 -0.040 0.000 1.010 268 K CA -0.307 55.963 56.287 -0.027 0.000 0.940 268 K CB 0.630 33.104 32.500 -0.044 0.000 0.983 268 K HN 0.614 nan 8.250 nan 0.000 0.475 269 T N -0.909 113.627 114.554 -0.029 0.000 3.176 269 T HA 0.132 4.482 4.350 -0.000 0.000 0.301 269 T C 1.220 175.868 174.700 -0.087 0.000 1.115 269 T CA -0.841 61.247 62.100 -0.021 0.000 1.027 269 T CB -0.326 68.555 68.868 0.021 0.000 1.063 269 T HN 0.384 nan 8.240 nan 0.000 0.669 270 V N -0.697 119.072 119.914 -0.242 0.000 2.970 270 V HA 0.100 4.220 4.120 -0.000 0.000 0.260 270 V C 1.451 177.274 176.094 -0.452 0.000 1.100 270 V CA 0.728 62.785 62.300 -0.404 0.000 1.122 270 V CB -1.371 30.098 31.823 -0.590 0.000 0.721 270 V HN 0.687 nan 8.190 nan 0.000 0.483 271 F N 0.756 120.681 119.950 -0.042 0.000 2.765 271 F HA 0.455 4.982 4.527 -0.000 0.000 0.302 271 F C 1.096 176.882 175.800 -0.022 0.000 1.111 271 F CA 0.055 58.026 58.000 -0.050 0.000 1.359 271 F CB 0.073 39.033 39.000 -0.065 0.000 1.097 271 F HN 0.292 nan 8.300 nan 0.000 0.577 272 Q N 0.118 119.977 119.800 0.099 0.000 2.476 272 Q HA 0.106 4.446 4.340 -0.000 0.000 0.236 272 Q C 0.439 176.456 176.000 0.027 0.000 0.844 272 Q CA -0.264 55.578 55.803 0.064 0.000 0.972 272 Q CB 1.322 30.101 28.738 0.068 0.000 1.498 272 Q HN 0.115 nan 8.270 nan 0.000 0.454 273 K N 1.667 122.076 120.400 0.015 0.000 2.026 273 K HA -0.026 4.294 4.320 -0.000 0.000 0.208 273 K C -0.153 176.451 176.600 0.007 0.000 1.048 273 K CA 1.172 57.462 56.287 0.004 0.000 0.929 273 K CB 0.454 32.955 32.500 0.002 0.000 0.713 273 K HN 0.447 nan 8.250 nan 0.000 0.439 274 E N 1.185 121.392 120.200 0.012 0.000 2.174 274 E HA 0.085 4.435 4.350 -0.000 0.000 0.282 274 E C -0.681 175.926 176.600 0.012 0.000 0.992 274 E CA -0.197 56.209 56.400 0.010 0.000 0.803 274 E CB 1.234 30.939 29.700 0.009 0.000 1.090 274 E HN 0.274 nan 8.360 nan 0.000 0.396 275 N N 0.528 119.234 118.700 0.010 0.000 2.747 275 N HA -0.180 4.559 4.740 -0.000 0.000 0.249 275 N C 0.228 175.747 175.510 0.014 0.000 1.107 275 N CA 0.866 53.922 53.050 0.010 0.000 0.707 275 N CB -0.861 37.629 38.487 0.006 0.000 1.054 275 N HN 0.590 nan 8.380 nan 0.000 0.555 276 G N -1.002 107.811 108.800 0.021 0.000 2.476 276 G HA2 0.479 4.439 3.960 -0.000 0.000 0.286 276 G HA3 0.479 4.439 3.960 -0.000 0.000 0.286 276 G C 0.947 175.870 174.900 0.037 0.000 1.177 276 G CA 0.270 45.391 45.100 0.034 0.000 0.870 276 G HN 0.289 nan 8.290 nan 0.000 0.528 277 T N -3.081 111.504 114.554 0.052 0.000 3.010 277 T HA 0.159 4.509 4.350 -0.000 0.000 0.253 277 T C 0.458 175.216 174.700 0.096 0.000 0.939 277 T CA 0.038 62.171 62.100 0.055 0.000 0.910 277 T CB 0.081 68.968 68.868 0.031 0.000 1.226 277 T HN 0.289 nan 8.240 nan 0.000 0.508 278 V N 4.023 124.020 119.914 0.138 0.000 2.498 278 V HA 0.617 4.737 4.120 -0.000 0.000 0.279 278 V C 0.765 177.031 176.094 0.287 0.000 1.048 278 V CA -0.042 62.404 62.300 0.244 0.000 0.967 278 V CB 0.849 32.827 31.823 0.258 0.000 0.988 278 V HN 0.790 nan 8.190 nan 0.000 0.473 279 T N 1.695 116.411 114.554 0.269 0.000 2.858 279 T HA 0.687 5.037 4.350 -0.000 0.000 0.285 279 T C 1.037 175.870 174.700 0.222 0.000 1.052 279 T CA -0.046 62.155 62.100 0.169 0.000 1.009 279 T CB 1.935 70.868 68.868 0.107 0.000 1.241 279 T HN 0.599 nan 8.240 nan 0.000 0.542 280 A N 0.027 122.910 122.820 0.105 0.000 2.015 280 A HA 0.359 4.679 4.320 -0.000 0.000 0.219 280 A C 2.423 180.107 177.584 0.167 0.000 1.163 280 A CA 1.627 53.738 52.037 0.123 0.000 0.646 280 A CB -1.388 17.636 19.000 0.040 0.000 0.806 280 A HN 1.204 nan 8.150 nan 0.000 0.448 281 A N 1.113 124.032 122.820 0.164 0.000 1.935 281 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 281 A C 1.682 179.431 177.584 0.275 0.000 1.178 281 A CA 1.509 53.670 52.037 0.207 0.000 0.640 281 A CB -0.501 18.589 19.000 0.150 0.000 0.825 281 A HN 0.711 nan 8.150 nan 0.000 0.447 282 N N -0.075 118.777 118.700 0.253 0.000 2.336 282 N HA 0.333 5.073 4.740 -0.000 0.000 0.189 282 N C 0.342 176.026 175.510 0.289 0.000 1.113 282 N CA 0.676 53.890 53.050 0.273 0.000 0.858 282 N CB -0.166 38.464 38.487 0.238 0.000 0.970 282 N HN 0.364 nan 8.380 nan 0.000 0.471 283 A N 0.290 123.293 122.820 0.304 0.000 2.264 283 A HA 0.640 4.960 4.320 -0.000 0.000 0.304 283 A C 0.463 178.081 177.584 0.056 0.000 1.100 283 A CA -0.455 51.719 52.037 0.228 0.000 0.839 283 A CB 0.375 19.624 19.000 0.415 0.000 1.121 283 A HN 0.422 nan 8.150 nan 0.000 0.496 284 S N 0.206 115.812 115.700 -0.157 0.000 2.589 284 S HA 0.473 4.943 4.470 -0.000 0.000 0.265 284 S C 0.507 175.107 174.600 0.001 0.000 1.342 284 S CA 0.266 58.417 58.200 -0.081 0.000 1.005 284 S CB 0.309 63.422 63.200 -0.145 0.000 0.909 284 S HN 1.316 nan 8.310 nan 0.000 0.555 285 T N -0.900 113.681 114.554 0.045 0.000 2.922 285 T HA 0.614 4.964 4.350 -0.000 0.000 0.281 285 T C -0.088 174.620 174.700 0.012 0.000 1.005 285 T CA -1.173 60.955 62.100 0.048 0.000 0.982 285 T CB 0.147 69.062 68.868 0.078 0.000 1.158 285 T HN 0.577 nan 8.240 nan 0.000 0.566 286 L N 1.829 123.025 121.223 -0.045 0.000 2.276 286 L HA 0.560 4.900 4.340 -0.000 0.000 0.286 286 L C -0.278 176.622 176.870 0.049 0.000 1.061 286 L CA -0.679 54.100 54.840 -0.101 0.000 0.807 286 L CB 0.316 42.126 42.059 -0.415 0.000 1.177 286 L HN 0.711 nan 8.230 nan 0.000 0.429 287 N N 0.958 119.692 118.700 0.057 0.000 2.853 287 N HA 0.511 5.251 4.740 -0.000 0.000 0.258 287 N C -1.787 173.764 175.510 0.069 0.000 1.444 287 N CA -0.904 52.199 53.050 0.089 0.000 0.837 287 N CB 1.683 40.210 38.487 0.066 0.000 1.489 287 N HN 0.395 nan 8.380 nan 0.000 0.529 288 D N -0.502 119.933 120.400 0.058 0.000 2.498 288 D HA 0.750 5.390 4.640 -0.000 0.000 0.247 288 D C -0.238 176.077 176.300 0.026 0.000 1.070 288 D CA -0.260 53.762 54.000 0.035 0.000 0.842 288 D CB 1.837 42.654 40.800 0.028 0.000 1.361 288 D HN 0.658 nan 8.370 nan 0.000 0.484 289 G N -0.605 108.208 108.800 0.021 0.000 2.338 289 G HA2 0.644 4.604 3.960 -0.000 0.000 0.295 289 G HA3 0.644 4.604 3.960 -0.000 0.000 0.295 289 G C -1.972 172.943 174.900 0.024 0.000 1.461 289 G CA -0.327 44.788 45.100 0.025 0.000 0.817 289 G HN 0.603 nan 8.290 nan 0.000 0.556 290 A N -1.137 121.702 122.820 0.031 0.000 2.572 290 A HA 1.094 5.414 4.320 -0.000 0.000 0.295 290 A C -0.358 177.253 177.584 0.044 0.000 1.072 290 A CA 0.221 52.277 52.037 0.033 0.000 0.691 290 A CB 1.562 20.579 19.000 0.027 0.000 1.291 290 A HN 2.549 nan 8.150 nan 0.000 0.404 291 A N 0.028 122.876 122.820 0.047 0.000 2.475 291 A HA 1.009 5.329 4.320 -0.000 0.000 0.301 291 A C -0.437 177.178 177.584 0.052 0.000 1.059 291 A CA -0.013 52.059 52.037 0.058 0.000 0.710 291 A CB 1.542 20.583 19.000 0.069 0.000 1.288 291 A HN 2.615 nan 8.150 nan 0.000 0.408 292 A N 0.871 123.724 122.820 0.056 0.000 2.520 292 A HA 0.753 5.073 4.320 -0.000 0.000 0.298 292 A C -1.801 175.811 177.584 0.046 0.000 1.051 292 A CA -0.358 51.705 52.037 0.045 0.000 0.690 292 A CB 1.036 20.058 19.000 0.037 0.000 1.281 292 A HN 0.906 nan 8.150 nan 0.000 0.402 293 L N 1.254 122.495 121.223 0.030 0.000 2.362 293 L HA 0.599 4.939 4.340 -0.000 0.000 0.271 293 L C -0.274 176.599 176.870 0.004 0.000 1.002 293 L CA -0.587 54.265 54.840 0.020 0.000 0.818 293 L CB 2.024 44.089 42.059 0.010 0.000 1.298 293 L HN 0.439 nan 8.230 nan 0.000 0.420 294 V N 4.273 124.188 119.914 0.001 0.000 2.406 294 V HA 0.405 4.525 4.120 -0.000 0.000 0.272 294 V C 0.048 176.131 176.094 -0.018 0.000 1.043 294 V CA -0.406 61.888 62.300 -0.010 0.000 0.915 294 V CB 0.987 32.807 31.823 -0.004 0.000 0.988 294 V HN 0.464 nan 8.190 nan 0.000 0.466 295 L N 6.373 127.580 121.223 -0.026 0.000 2.325 295 L HA 0.721 5.061 4.340 -0.000 0.000 0.278 295 L C -0.220 176.635 176.870 -0.025 0.000 1.023 295 L CA -0.372 54.452 54.840 -0.026 0.000 0.811 295 L CB 1.768 43.808 42.059 -0.032 0.000 1.249 295 L HN 0.509 nan 8.230 nan 0.000 0.431 296 M N 0.903 120.492 119.600 -0.018 0.000 2.575 296 M HA 0.359 4.839 4.480 -0.000 0.000 0.284 296 M C -0.170 176.124 176.300 -0.009 0.000 1.253 296 M CA -0.752 54.539 55.300 -0.015 0.000 0.861 296 M CB 2.658 35.250 32.600 -0.014 0.000 1.733 296 M HN 0.650 nan 8.290 nan 0.000 0.462 297 T N -0.694 113.855 114.554 -0.008 0.000 2.900 297 T HA 0.353 4.703 4.350 -0.000 0.000 0.307 297 T C 1.156 175.852 174.700 -0.007 0.000 1.065 297 T CA 0.029 62.126 62.100 -0.005 0.000 1.105 297 T CB 1.018 69.882 68.868 -0.006 0.000 0.979 297 T HN 0.738 nan 8.240 nan 0.000 0.544 298 A N 1.999 124.815 122.820 -0.006 0.000 1.917 298 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 298 A C 2.079 179.658 177.584 -0.008 0.000 1.182 298 A CA 1.939 53.971 52.037 -0.008 0.000 0.633 298 A CB -0.997 17.998 19.000 -0.008 0.000 0.819 298 A HN 0.930 nan 8.150 nan 0.000 0.448 299 D N -0.088 120.308 120.400 -0.007 0.000 2.144 299 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 299 D C 2.219 178.515 176.300 -0.006 0.000 0.984 299 D CA 1.509 55.505 54.000 -0.006 0.000 0.834 299 D CB -0.459 40.338 40.800 -0.005 0.000 0.955 299 D HN 0.459 nan 8.370 nan 0.000 0.465 300 A N 1.029 123.845 122.820 -0.006 0.000 1.930 300 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 300 A C 2.317 179.896 177.584 -0.008 0.000 1.175 300 A CA 2.026 54.059 52.037 -0.007 0.000 0.627 300 A CB -0.594 18.402 19.000 -0.008 0.000 0.815 300 A HN 0.233 nan 8.150 nan 0.000 0.443 301 A N -0.134 122.680 122.820 -0.009 0.000 1.898 301 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 301 A C 2.111 179.690 177.584 -0.009 0.000 1.181 301 A CA 1.989 54.020 52.037 -0.010 0.000 0.620 301 A CB -0.447 18.545 19.000 -0.013 0.000 0.819 301 A HN 0.563 nan 8.150 nan 0.000 0.442 302 K N -0.330 120.065 120.400 -0.009 0.000 2.009 302 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 302 K C 2.337 178.934 176.600 -0.007 0.000 1.049 302 K CA 1.675 57.957 56.287 -0.008 0.000 0.929 302 K CB -0.265 32.230 32.500 -0.008 0.000 0.714 302 K HN 0.397 nan 8.250 nan 0.000 0.440 303 R N 0.462 120.959 120.500 -0.006 0.000 2.117 303 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 303 R C 1.738 178.035 176.300 -0.004 0.000 1.143 303 R CA 1.669 57.766 56.100 -0.005 0.000 0.968 303 R CB -0.165 30.133 30.300 -0.004 0.000 0.863 303 R HN 0.291 nan 8.270 nan 0.000 0.444 304 L N 0.890 122.110 121.223 -0.005 0.000 2.628 304 L HA 0.112 4.452 4.340 -0.000 0.000 0.229 304 L C -0.195 176.672 176.870 -0.005 0.000 1.137 304 L CA -0.176 54.661 54.840 -0.005 0.000 0.909 304 L CB 0.057 42.113 42.059 -0.005 0.000 1.137 304 L HN 0.280 nan 8.230 nan 0.000 0.470 305 N N 0.112 118.808 118.700 -0.006 0.000 2.740 305 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 305 N C -0.550 174.956 175.510 -0.007 0.000 1.062 305 N CA 0.415 53.462 53.050 -0.006 0.000 0.704 305 N CB -1.427 37.057 38.487 -0.005 0.000 0.968 305 N HN 0.043 nan 8.380 nan 0.000 0.547 306 V N 0.664 120.573 119.914 -0.008 0.000 2.483 306 V HA 0.325 4.445 4.120 -0.000 0.000 0.295 306 V C 0.641 176.728 176.094 -0.013 0.000 1.035 306 V CA -0.369 61.926 62.300 -0.009 0.000 0.896 306 V CB 2.110 33.928 31.823 -0.009 0.000 0.986 306 V HN 0.169 nan 8.190 nan 0.000 0.447 307 T N 7.323 121.868 114.554 -0.014 0.000 2.762 307 T HA 0.382 4.732 4.350 -0.000 0.000 0.303 307 T C -2.374 172.312 174.700 -0.024 0.000 0.977 307 T CA -0.832 61.257 62.100 -0.019 0.000 0.961 307 T CB 0.925 69.782 68.868 -0.018 0.000 0.944 307 T HN 0.466 nan 8.240 nan 0.000 0.481 308 P HA 0.294 nan 4.420 nan 0.000 0.274 308 P C 0.676 177.945 177.300 -0.051 0.000 1.231 308 P CA -0.545 62.533 63.100 -0.037 0.000 0.790 308 P CB 0.868 32.547 31.700 -0.034 0.000 0.951 309 L N 0.284 121.466 121.223 -0.069 0.000 2.095 309 L HA 0.193 4.533 4.340 -0.000 0.000 0.204 309 L C 1.080 177.890 176.870 -0.100 0.000 1.080 309 L CA 1.091 55.873 54.840 -0.098 0.000 0.759 309 L CB -0.326 41.640 42.059 -0.155 0.000 0.914 309 L HN 0.451 nan 8.230 nan 0.000 0.439 310 A N -0.715 122.053 122.820 -0.087 0.000 2.610 310 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 310 A C -1.119 176.436 177.584 -0.049 0.000 1.086 310 A CA -0.587 51.403 52.037 -0.078 0.000 0.677 310 A CB 1.388 20.335 19.000 -0.088 0.000 1.278 310 A HN 0.039 nan 8.150 nan 0.000 0.414 311 R N 0.794 121.271 120.500 -0.038 0.000 2.393 311 R HA 0.635 4.975 4.340 -0.000 0.000 0.310 311 R C -1.129 175.184 176.300 0.021 0.000 0.968 311 R CA -0.610 55.485 56.100 -0.009 0.000 0.867 311 R CB 0.795 31.086 30.300 -0.014 0.000 1.124 311 R HN 0.667 nan 8.270 nan 0.000 0.450 312 I N 5.693 126.292 120.570 0.048 0.000 2.363 312 I HA 0.012 4.182 4.170 -0.000 0.000 0.292 312 I C 1.070 177.241 176.117 0.091 0.000 1.075 312 I CA -0.249 61.111 61.300 0.099 0.000 1.333 312 I CB 1.406 39.499 38.000 0.156 0.000 1.415 312 I HN 0.575 nan 8.210 nan 0.000 0.502 313 V N 6.234 126.195 119.914 0.078 0.000 2.331 313 V HA 0.168 4.288 4.120 -0.000 0.000 0.242 313 V C 0.872 176.935 176.094 -0.052 0.000 1.034 313 V CA 1.268 63.589 62.300 0.035 0.000 1.027 313 V CB -0.205 31.666 31.823 0.080 0.000 0.667 313 V HN 0.875 nan 8.190 nan 0.000 0.457 314 A N -0.356 122.427 122.820 -0.063 0.000 2.601 314 A HA 0.770 5.090 4.320 -0.000 0.000 0.291 314 A C -1.631 175.886 177.584 -0.112 0.000 1.075 314 A CA -0.504 51.378 52.037 -0.259 0.000 0.671 314 A CB 1.313 20.186 19.000 -0.211 0.000 1.277 314 A HN 0.417 nan 8.150 nan 0.000 0.417 315 F N -2.231 117.722 119.950 0.006 0.000 2.686 315 F HA 0.963 5.489 4.527 -0.000 0.000 0.311 315 F C -0.205 175.607 175.800 0.020 0.000 1.128 315 F CA -0.684 57.325 58.000 0.015 0.000 0.946 315 F CB 1.400 40.414 39.000 0.022 0.000 1.336 315 F HN 1.453 nan 8.300 nan 0.000 0.457 316 A N 0.345 123.319 122.820 0.257 0.000 2.609 316 A HA 0.696 5.015 4.320 -0.000 0.000 0.291 316 A C -2.151 175.530 177.584 0.161 0.000 1.096 316 A CA -0.778 51.362 52.037 0.172 0.000 0.684 316 A CB 1.751 20.807 19.000 0.093 0.000 1.282 316 A HN 0.761 nan 8.150 nan 0.000 0.412 317 D N 0.149 120.626 120.400 0.127 0.000 2.350 317 D HA 0.679 5.319 4.640 -0.000 0.000 0.245 317 D C -0.325 176.031 176.300 0.093 0.000 1.036 317 D CA 0.150 54.213 54.000 0.105 0.000 0.848 317 D CB 2.223 43.075 40.800 0.087 0.000 1.307 317 D HN 0.868 nan 8.370 nan 0.000 0.469 318 A N 0.509 123.390 122.820 0.102 0.000 2.479 318 A HA 0.898 5.218 4.320 -0.000 0.000 0.296 318 A C -1.471 176.165 177.584 0.087 0.000 1.121 318 A CA -0.593 51.503 52.037 0.098 0.000 0.743 318 A CB 2.083 21.181 19.000 0.163 0.000 1.323 318 A HN 0.585 nan 8.150 nan 0.000 0.415 319 A N -0.073 122.777 122.820 0.051 0.000 2.547 319 A HA 0.796 5.116 4.320 -0.000 0.000 0.297 319 A C -0.429 177.154 177.584 -0.001 0.000 1.056 319 A CA 0.085 52.147 52.037 0.041 0.000 0.688 319 A CB 1.002 20.014 19.000 0.021 0.000 1.282 319 A HN 2.355 nan 8.150 nan 0.000 0.400 320 V N -1.502 118.423 119.914 0.019 0.000 3.084 320 V HA 0.701 4.821 4.120 -0.000 0.000 0.311 320 V C -0.261 175.828 176.094 -0.008 0.000 1.311 320 V CA -1.092 61.198 62.300 -0.017 0.000 1.062 320 V CB 0.979 32.813 31.823 0.018 0.000 1.113 320 V HN 0.801 nan 8.190 nan 0.000 0.468 321 E N 1.432 121.621 120.200 -0.019 0.000 2.502 321 E HA 0.094 4.444 4.350 -0.000 0.000 0.261 321 E C -1.839 174.777 176.600 0.027 0.000 0.974 321 E CA -0.952 55.435 56.400 -0.022 0.000 0.936 321 E CB 0.975 30.662 29.700 -0.021 0.000 0.926 321 E HN 0.487 nan 8.360 nan 0.000 0.459 322 P HA -0.199 nan 4.420 nan 0.000 0.218 322 P C 1.521 178.950 177.300 0.214 0.000 1.154 322 P CA 1.095 64.277 63.100 0.136 0.000 0.872 322 P CB 0.092 31.892 31.700 0.168 0.000 0.790 323 I N -0.918 119.732 120.570 0.133 0.000 2.454 323 I HA -0.179 3.991 4.170 -0.000 0.000 0.254 323 I C 0.456 176.561 176.117 -0.020 0.000 1.156 323 I CA 1.602 62.960 61.300 0.096 0.000 1.433 323 I CB -0.065 37.959 38.000 0.039 0.000 1.082 323 I HN -0.144 nan 8.210 nan 0.000 0.432 324 D N 0.429 120.819 120.400 -0.016 0.000 2.395 324 D HA -0.001 4.639 4.640 -0.000 0.000 0.226 324 D C 1.629 177.872 176.300 -0.094 0.000 1.146 324 D CA -0.004 53.935 54.000 -0.102 0.000 0.830 324 D CB -0.151 40.630 40.800 -0.032 0.000 0.958 324 D HN 0.442 nan 8.370 nan 0.000 0.501 325 F N 0.924 120.893 119.950 0.032 0.000 2.147 325 F HA -0.085 4.441 4.527 -0.000 0.000 0.301 325 F C -1.052 174.779 175.800 0.052 0.000 1.084 325 F CA 0.599 58.630 58.000 0.052 0.000 1.268 325 F CB -2.106 36.930 39.000 0.061 0.000 1.009 325 F HN -0.024 nan 8.300 nan 0.000 0.486 326 P HA -0.186 nan 4.420 nan 0.000 0.218 326 P C 1.839 179.095 177.300 -0.075 0.000 1.146 326 P CA 2.235 65.186 63.100 -0.250 0.000 0.813 326 P CB -0.388 31.061 31.700 -0.418 0.000 0.778 327 I N -5.238 115.296 120.570 -0.060 0.000 3.603 327 I HA 0.192 4.362 4.170 -0.000 0.000 0.297 327 I C 1.927 178.086 176.117 0.071 0.000 1.269 327 I CA 0.559 61.846 61.300 -0.021 0.000 1.361 327 I CB -0.727 37.275 38.000 0.003 0.000 1.063 327 I HN -0.232 nan 8.210 nan 0.000 0.448 328 A N 2.556 125.478 122.820 0.170 0.000 1.917 328 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 328 A C 0.186 177.873 177.584 0.172 0.000 1.182 328 A CA 1.829 54.016 52.037 0.250 0.000 0.633 328 A CB -1.971 17.155 19.000 0.210 0.000 0.819 328 A HN 0.411 nan 8.150 nan 0.000 0.448 329 P HA -0.082 nan 4.420 nan 0.000 0.220 329 P C 1.512 178.826 177.300 0.024 0.000 1.148 329 P CA 0.998 64.148 63.100 0.083 0.000 0.803 329 P CB -0.109 31.637 31.700 0.078 0.000 0.782 330 V N -1.463 118.386 119.914 -0.108 0.000 2.295 330 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 330 V C 2.081 178.027 176.094 -0.247 0.000 1.049 330 V CA 1.905 64.050 62.300 -0.258 0.000 1.024 330 V CB -1.470 30.040 31.823 -0.522 0.000 0.648 330 V HN 0.056 nan 8.190 nan 0.000 0.447 331 Y N 0.741 121.065 120.300 0.041 0.000 2.200 331 Y HA -0.073 4.477 4.550 -0.000 0.000 0.290 331 Y C 2.561 178.492 175.900 0.053 0.000 1.137 331 Y CA 1.120 59.243 58.100 0.039 0.000 1.163 331 Y CB -1.236 37.241 38.460 0.028 0.000 0.988 331 Y HN 0.168 nan 8.280 nan 0.000 0.518 332 A N 0.345 123.280 122.820 0.191 0.000 1.908 332 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 332 A C 2.478 180.135 177.584 0.121 0.000 1.181 332 A CA 2.066 54.190 52.037 0.146 0.000 0.627 332 A CB -1.289 17.793 19.000 0.137 0.000 0.818 332 A HN 0.416 nan 8.150 nan 0.000 0.445 333 A N -0.551 122.342 122.820 0.123 0.000 1.902 333 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 333 A C 2.439 180.091 177.584 0.114 0.000 1.181 333 A CA 2.080 54.203 52.037 0.144 0.000 0.623 333 A CB -0.887 18.268 19.000 0.258 0.000 0.818 333 A HN 0.472 nan 8.150 nan 0.000 0.443 334 S N -0.305 115.454 115.700 0.098 0.000 2.382 334 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 334 S C 1.992 176.632 174.600 0.066 0.000 1.027 334 S CA 1.771 60.019 58.200 0.080 0.000 0.991 334 S CB -0.434 62.810 63.200 0.074 0.000 0.823 334 S HN 0.570 nan 8.310 nan 0.000 0.469 335 M N 0.726 120.373 119.600 0.079 0.000 2.080 335 M HA -0.119 4.361 4.480 -0.000 0.000 0.260 335 M C 2.177 178.489 176.300 0.019 0.000 1.068 335 M CA 1.352 56.684 55.300 0.054 0.000 1.109 335 M CB -0.728 31.913 32.600 0.068 0.000 1.342 335 M HN 0.154 nan 8.290 nan 0.000 0.405 336 V N 0.726 120.652 119.914 0.020 0.000 2.295 336 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 336 V C 2.307 178.370 176.094 -0.051 0.000 1.049 336 V CA 1.741 64.030 62.300 -0.019 0.000 1.024 336 V CB -0.709 31.111 31.823 -0.006 0.000 0.648 336 V HN 0.456 nan 8.190 nan 0.000 0.447 337 L N -0.080 121.120 121.223 -0.039 0.000 2.012 337 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 337 L C 2.622 179.460 176.870 -0.053 0.000 1.073 337 L CA 2.227 57.030 54.840 -0.062 0.000 0.748 337 L CB -0.688 41.361 42.059 -0.015 0.000 0.891 337 L HN 0.330 nan 8.230 nan 0.000 0.431 338 K N 0.064 120.451 120.400 -0.022 0.000 2.097 338 K HA -0.248 4.072 4.320 -0.000 0.000 0.205 338 K C 1.802 178.382 176.600 -0.034 0.000 1.050 338 K CA 1.857 58.133 56.287 -0.019 0.000 0.938 338 K CB -0.067 32.434 32.500 0.002 0.000 0.718 338 K HN 0.193 nan 8.250 nan 0.000 0.442 339 D N 0.041 120.416 120.400 -0.042 0.000 2.117 339 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 339 D C 1.642 177.900 176.300 -0.070 0.000 0.987 339 D CA 1.166 55.133 54.000 -0.056 0.000 0.829 339 D CB 0.175 40.934 40.800 -0.069 0.000 0.961 339 D HN 0.073 nan 8.370 nan 0.000 0.460 340 V N -0.624 119.236 119.914 -0.089 0.000 3.235 340 V HA 0.234 4.354 4.120 -0.000 0.000 0.259 340 V C 1.671 177.706 176.094 -0.098 0.000 1.133 340 V CA 0.765 63.002 62.300 -0.105 0.000 1.128 340 V CB -0.231 31.502 31.823 -0.151 0.000 0.757 340 V HN 0.494 nan 8.190 nan 0.000 0.469 341 G N 0.870 109.619 108.800 -0.086 0.000 2.171 341 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.238 341 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.238 341 G C -0.153 174.693 174.900 -0.091 0.000 1.039 341 G CA 0.128 45.186 45.100 -0.069 0.000 0.759 341 G HN 0.413 nan 8.290 nan 0.000 0.501 342 L N -0.642 120.503 121.223 -0.129 0.000 2.344 342 L HA 0.573 4.913 4.340 -0.000 0.000 0.272 342 L C 0.846 177.664 176.870 -0.086 0.000 1.035 342 L CA -0.952 53.794 54.840 -0.158 0.000 0.807 342 L CB 1.395 43.269 42.059 -0.309 0.000 1.237 342 L HN 0.014 nan 8.230 nan 0.000 0.442 343 K N 0.906 121.273 120.400 -0.055 0.000 2.098 343 K HA 0.178 4.498 4.320 -0.000 0.000 0.261 343 K C 0.813 177.433 176.600 0.032 0.000 0.987 343 K CA -0.628 55.658 56.287 -0.001 0.000 0.916 343 K CB 1.754 34.261 32.500 0.012 0.000 1.039 343 K HN 0.507 nan 8.250 nan 0.000 0.455 344 K N 0.705 121.170 120.400 0.108 0.000 2.113 344 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 344 K C 0.846 177.598 176.600 0.253 0.000 1.047 344 K CA 1.770 58.214 56.287 0.262 0.000 0.928 344 K CB -0.029 32.640 32.500 0.281 0.000 0.716 344 K HN 0.414 nan 8.250 nan 0.000 0.446 345 E N 1.240 121.526 120.200 0.144 0.000 2.333 345 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 345 E C 1.184 177.843 176.600 0.099 0.000 1.007 345 E CA 1.151 57.624 56.400 0.122 0.000 0.845 345 E CB -0.065 29.680 29.700 0.075 0.000 0.766 345 E HN 0.382 nan 8.360 nan 0.000 0.507 346 D N -0.191 120.244 120.400 0.059 0.000 2.347 346 D HA -0.037 4.603 4.640 -0.000 0.000 0.215 346 D C 0.100 176.427 176.300 0.046 0.000 0.976 346 D CA 0.361 54.384 54.000 0.038 0.000 0.884 346 D CB 0.251 41.025 40.800 -0.043 0.000 0.915 346 D HN 0.124 nan 8.370 nan 0.000 0.526 347 I N 1.224 121.792 120.570 -0.003 0.000 2.352 347 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 347 I C 1.427 177.531 176.117 -0.021 0.000 1.036 347 I CA -0.530 60.688 61.300 -0.137 0.000 1.336 347 I CB 0.927 38.563 38.000 -0.606 0.000 1.407 347 I HN -0.194 nan 8.210 nan 0.000 0.497 348 A N 7.819 130.628 122.820 -0.018 0.000 1.930 348 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 348 A C 0.894 178.505 177.584 0.044 0.000 1.176 348 A CA 0.865 52.917 52.037 0.026 0.000 0.632 348 A CB 0.121 19.124 19.000 0.005 0.000 0.819 348 A HN 0.773 nan 8.150 nan 0.000 0.445 349 M N -3.446 116.135 119.600 -0.032 0.000 2.470 349 M HA 0.646 5.126 4.480 -0.000 0.000 0.285 349 M C -2.380 173.886 176.300 -0.058 0.000 1.213 349 M CA -0.698 54.636 55.300 0.056 0.000 0.901 349 M CB 1.417 34.056 32.600 0.064 0.000 1.718 349 M HN 0.085 nan 8.290 nan 0.000 0.469 350 W N 1.222 122.556 121.300 0.057 0.000 2.573 350 W HA 0.564 5.223 4.660 -0.001 0.000 0.326 350 W C -0.466 176.097 176.519 0.074 0.000 1.049 350 W CA -0.019 57.360 57.345 0.058 0.000 1.220 350 W CB 1.458 30.945 29.460 0.045 0.000 1.373 350 W HN 0.498 nan 8.180 nan 0.000 0.507 351 E N 2.786 123.149 120.200 0.272 0.000 2.149 351 E HA 0.321 4.671 4.350 -0.000 0.000 0.255 351 E C -1.208 175.511 176.600 0.199 0.000 0.888 351 E CA -0.605 55.922 56.400 0.212 0.000 0.742 351 E CB 1.807 31.608 29.700 0.169 0.000 1.164 351 E HN 0.164 nan 8.360 nan 0.000 0.422 352 V N 3.767 123.791 119.914 0.183 0.000 2.313 352 V HA 0.132 4.252 4.120 -0.000 0.000 0.278 352 V C 0.366 176.501 176.094 0.069 0.000 1.017 352 V CA -1.020 61.357 62.300 0.129 0.000 0.823 352 V CB 1.095 32.974 31.823 0.093 0.000 1.010 352 V HN 0.489 nan 8.190 nan 0.000 0.443 353 N N 3.715 122.443 118.700 0.047 0.000 2.357 353 N HA -0.054 4.686 4.740 -0.000 0.000 0.257 353 N C 0.583 176.055 175.510 -0.064 0.000 1.250 353 N CA 0.448 53.487 53.050 -0.020 0.000 0.862 353 N CB 0.515 38.972 38.487 -0.051 0.000 1.066 353 N HN 0.682 nan 8.380 nan 0.000 0.468 354 E N 2.841 122.984 120.200 -0.096 0.000 2.515 354 E HA 0.091 4.441 4.350 -0.000 0.000 0.315 354 E C 0.794 177.271 176.600 -0.204 0.000 1.523 354 E CA -0.317 56.032 56.400 -0.086 0.000 1.704 354 E CB -0.101 29.611 29.700 0.019 0.000 1.395 354 E HN 0.659 nan 8.360 nan 0.000 0.490 355 A N 1.236 123.913 122.820 -0.238 0.000 1.908 355 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 355 A C 0.455 177.653 177.584 -0.644 0.000 1.181 355 A CA 1.272 53.072 52.037 -0.396 0.000 0.627 355 A CB -0.040 18.911 19.000 -0.081 0.000 0.818 355 A HN 0.338 nan 8.150 nan 0.000 0.445 356 F N -3.325 116.643 119.950 0.031 0.000 2.601 356 F HA 0.395 4.922 4.527 -0.000 0.000 0.309 356 F C 1.318 177.102 175.800 -0.027 0.000 1.089 356 F CA -0.393 57.632 58.000 0.041 0.000 0.940 356 F CB 1.610 40.640 39.000 0.050 0.000 1.273 356 F HN -0.117 nan 8.300 nan 0.000 0.450 357 S N 1.310 117.111 115.700 0.167 0.000 2.387 357 S HA -0.168 4.302 4.470 -0.000 0.000 0.230 357 S C 2.105 176.629 174.600 -0.127 0.000 1.035 357 S CA 1.106 59.297 58.200 -0.014 0.000 1.014 357 S CB -0.234 63.081 63.200 0.192 0.000 0.836 357 S HN 0.654 nan 8.310 nan 0.000 0.466 358 L N 2.239 123.477 121.223 0.024 0.000 2.021 358 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 358 L C 2.145 178.964 176.870 -0.085 0.000 1.074 358 L CA 1.988 56.806 54.840 -0.037 0.000 0.760 358 L CB -1.222 40.811 42.059 -0.042 0.000 0.889 358 L HN 0.221 nan 8.230 nan 0.000 0.433 359 V N -0.226 119.677 119.914 -0.018 0.000 2.287 359 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 359 V C 2.775 178.795 176.094 -0.123 0.000 1.053 359 V CA 1.712 63.991 62.300 -0.035 0.000 1.027 359 V CB -0.579 31.302 31.823 0.096 0.000 0.646 359 V HN 0.363 nan 8.190 nan 0.000 0.447 360 V N -0.298 119.478 119.914 -0.229 0.000 2.343 360 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 360 V C 2.294 178.215 176.094 -0.289 0.000 1.051 360 V CA 1.938 64.049 62.300 -0.315 0.000 1.036 360 V CB -0.636 30.808 31.823 -0.632 0.000 0.654 360 V HN 0.434 nan 8.190 nan 0.000 0.451 361 L N 0.195 121.233 121.223 -0.309 0.000 2.046 361 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 361 L C 2.777 179.560 176.870 -0.146 0.000 1.077 361 L CA 1.500 56.225 54.840 -0.191 0.000 0.747 361 L CB -0.830 41.144 42.059 -0.142 0.000 0.896 361 L HN 0.349 nan 8.230 nan 0.000 0.432 362 A N 0.131 122.866 122.820 -0.142 0.000 1.908 362 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 362 A C 2.117 179.613 177.584 -0.146 0.000 1.181 362 A CA 2.008 53.967 52.037 -0.131 0.000 0.627 362 A CB -0.685 18.238 19.000 -0.129 0.000 0.818 362 A HN 0.484 nan 8.150 nan 0.000 0.445 363 N N -0.243 118.363 118.700 -0.156 0.000 2.106 363 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 363 N C 1.817 177.192 175.510 -0.225 0.000 1.029 363 N CA 1.680 54.623 53.050 -0.177 0.000 0.848 363 N CB -0.305 38.094 38.487 -0.146 0.000 1.007 363 N HN 0.516 nan 8.380 nan 0.000 0.423 364 I N 1.784 122.222 120.570 -0.219 0.000 2.151 364 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 364 I C 2.286 178.291 176.117 -0.186 0.000 1.080 364 I CA 1.213 62.375 61.300 -0.230 0.000 1.339 364 I CB -0.117 37.787 38.000 -0.160 0.000 1.039 364 I HN 0.055 nan 8.210 nan 0.000 0.409 365 K N 0.296 120.610 120.400 -0.145 0.000 2.025 365 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 365 K C 2.073 178.601 176.600 -0.119 0.000 1.049 365 K CA 1.607 57.826 56.287 -0.114 0.000 0.933 365 K CB -0.402 32.043 32.500 -0.092 0.000 0.714 365 K HN 0.368 nan 8.250 nan 0.000 0.438 366 M N 0.355 119.872 119.600 -0.139 0.000 2.175 366 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 366 M C 2.024 178.234 176.300 -0.150 0.000 1.063 366 M CA 1.335 56.550 55.300 -0.142 0.000 1.119 366 M CB -0.167 32.328 32.600 -0.174 0.000 1.377 366 M HN -0.014 nan 8.290 nan 0.000 0.415 367 L N -0.346 120.763 121.223 -0.190 0.000 2.509 367 L HA 0.039 4.379 4.340 -0.000 0.000 0.222 367 L C 0.046 176.810 176.870 -0.176 0.000 1.123 367 L CA 0.094 54.816 54.840 -0.196 0.000 0.856 367 L CB -0.236 41.642 42.059 -0.303 0.000 0.985 367 L HN 0.311 nan 8.230 nan 0.000 0.456 368 E N 1.362 121.463 120.200 -0.166 0.000 2.271 368 E HA -0.217 4.133 4.350 -0.000 0.000 0.223 368 E C -0.271 176.241 176.600 -0.147 0.000 1.223 368 E CA 0.339 56.663 56.400 -0.127 0.000 0.704 368 E CB -1.810 27.843 29.700 -0.078 0.000 1.194 368 E HN 0.607 nan 8.360 nan 0.000 0.375 369 I N -2.684 117.745 120.570 -0.235 0.000 2.707 369 I HA 0.486 4.656 4.170 -0.000 0.000 0.309 369 I C 0.400 176.410 176.117 -0.178 0.000 1.001 369 I CA -1.166 59.972 61.300 -0.269 0.000 1.129 369 I CB 1.373 38.980 38.000 -0.655 0.000 1.308 369 I HN -0.210 nan 8.210 nan 0.000 0.466 370 D N 5.714 126.057 120.400 -0.095 0.000 2.382 370 D HA 0.141 4.781 4.640 -0.000 0.000 0.259 370 D C -1.518 174.758 176.300 -0.040 0.000 1.224 370 D CA -2.197 51.782 54.000 -0.035 0.000 0.894 370 D CB 1.189 42.004 40.800 0.025 0.000 1.127 370 D HN 0.366 nan 8.370 nan 0.000 0.487 371 P HA -0.106 nan 4.420 nan 0.000 0.230 371 P C 0.766 178.087 177.300 0.035 0.000 1.158 371 P CA 0.568 63.669 63.100 0.001 0.000 0.769 371 P CB 0.453 32.164 31.700 0.017 0.000 0.807 372 Q N -0.019 119.801 119.800 0.034 0.000 2.472 372 Q HA 0.021 4.361 4.340 -0.000 0.000 0.208 372 Q C 1.426 177.471 176.000 0.074 0.000 0.958 372 Q CA 0.849 56.678 55.803 0.043 0.000 0.932 372 Q CB -0.066 28.692 28.738 0.033 0.000 1.007 372 Q HN 0.410 nan 8.270 nan 0.000 0.508 373 K N -0.230 120.233 120.400 0.106 0.000 2.358 373 K HA 0.197 4.517 4.320 -0.000 0.000 0.200 373 K C -0.279 176.479 176.600 0.263 0.000 1.030 373 K CA -0.020 56.382 56.287 0.192 0.000 1.097 373 K CB 1.302 33.967 32.500 0.274 0.000 0.862 373 K HN -0.134 nan 8.250 nan 0.000 0.534 374 V N 2.536 122.556 119.914 0.177 0.000 2.417 374 V HA 0.133 4.253 4.120 -0.000 0.000 0.291 374 V C -0.295 175.909 176.094 0.185 0.000 1.024 374 V CA -1.117 61.302 62.300 0.199 0.000 0.861 374 V CB 1.384 33.263 31.823 0.094 0.000 0.985 374 V HN 0.400 nan 8.190 nan 0.000 0.436 375 N N 3.259 122.080 118.700 0.203 0.000 2.699 375 N HA -0.209 4.531 4.740 -0.000 0.000 0.256 375 N C 0.941 176.515 175.510 0.108 0.000 0.993 375 N CA 0.677 53.824 53.050 0.162 0.000 0.759 375 N CB -0.743 37.861 38.487 0.194 0.000 0.906 375 N HN 0.737 nan 8.380 nan 0.000 0.541 376 I N -0.367 120.275 120.570 0.120 0.000 2.264 376 I HA -0.232 3.937 4.170 -0.000 0.000 0.248 376 I C 1.091 177.236 176.117 0.046 0.000 1.111 376 I CA 1.207 62.555 61.300 0.081 0.000 1.382 376 I CB -0.074 37.981 38.000 0.092 0.000 1.060 376 I HN 0.212 nan 8.210 nan 0.000 0.418 377 N N 1.083 119.818 118.700 0.059 0.000 2.380 377 N HA 0.277 5.017 4.740 -0.000 0.000 0.255 377 N C 0.341 175.852 175.510 0.002 0.000 1.158 377 N CA 0.638 53.690 53.050 0.002 0.000 0.878 377 N CB 0.876 39.344 38.487 -0.032 0.000 1.138 377 N HN 0.424 nan 8.380 nan 0.000 0.509 378 G N -0.847 107.949 108.800 -0.007 0.000 2.660 378 G HA2 0.203 4.163 3.960 -0.000 0.000 0.247 378 G HA3 0.203 4.163 3.960 -0.000 0.000 0.247 378 G C -0.258 174.628 174.900 -0.023 0.000 1.328 378 G CA -0.554 44.531 45.100 -0.026 0.000 0.884 378 G HN 0.600 nan 8.290 nan 0.000 0.531 379 G N -3.135 105.644 108.800 -0.036 0.000 2.427 379 G HA2 0.739 4.699 3.960 -0.000 0.000 0.306 379 G HA3 0.739 4.699 3.960 -0.000 0.000 0.306 379 G C 0.916 175.786 174.900 -0.050 0.000 1.280 379 G CA 1.142 46.229 45.100 -0.021 0.000 0.837 379 G HN 2.158 nan 8.290 nan 0.000 0.482 380 A N -0.813 121.970 122.820 -0.062 0.000 2.024 380 A HA 0.106 4.426 4.320 -0.000 0.000 0.220 380 A C 2.472 180.008 177.584 -0.079 0.000 1.164 380 A CA 2.587 54.570 52.037 -0.090 0.000 0.643 380 A CB -0.566 18.285 19.000 -0.248 0.000 0.806 380 A HN 1.086 nan 8.150 nan 0.000 0.451 381 V N 0.439 120.311 119.914 -0.071 0.000 2.490 381 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 381 V C 2.704 178.663 176.094 -0.225 0.000 1.061 381 V CA 2.359 64.623 62.300 -0.060 0.000 1.064 381 V CB -0.417 31.440 31.823 0.057 0.000 0.670 381 V HN 0.832 nan 8.190 nan 0.000 0.461 382 S N -1.873 113.584 115.700 -0.404 0.000 2.539 382 S HA 0.219 4.689 4.470 -0.000 0.000 0.226 382 S C 1.614 176.097 174.600 -0.194 0.000 1.054 382 S CA -0.016 57.724 58.200 -0.767 0.000 0.910 382 S CB -0.007 62.512 63.200 -1.134 0.000 0.818 382 S HN 0.422 nan 8.310 nan 0.000 0.490 383 L N 1.544 122.715 121.223 -0.087 0.000 2.375 383 L HA 0.391 4.731 4.340 -0.000 0.000 0.215 383 L C 1.360 178.250 176.870 0.033 0.000 1.108 383 L CA 0.542 55.394 54.840 0.020 0.000 0.830 383 L CB -0.738 41.315 42.059 -0.010 0.000 0.959 383 L HN 0.649 nan 8.230 nan 0.000 0.457 384 G N -0.326 108.485 108.800 0.019 0.000 2.612 384 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 384 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 384 G C -1.055 173.908 174.900 0.105 0.000 1.274 384 G CA -0.676 44.459 45.100 0.059 0.000 0.849 384 G HN 0.288 nan 8.290 nan 0.000 0.595 385 H N 1.030 120.085 119.070 -0.026 0.000 2.488 385 H HA 0.559 5.115 4.556 -0.000 0.000 0.237 385 H C -2.571 172.738 175.328 -0.032 0.000 1.395 385 H CA -2.121 53.903 56.048 -0.041 0.000 1.491 385 H CB 1.069 30.782 29.762 -0.082 0.000 1.567 385 H HN 0.372 nan 8.280 nan 0.000 0.508 386 P HA 0.074 nan 4.420 nan 0.000 0.273 386 P C 1.654 178.855 177.300 -0.165 0.000 1.319 386 P CA -0.172 62.881 63.100 -0.079 0.000 0.885 386 P CB 0.110 31.806 31.700 -0.005 0.000 1.015 387 I N 1.013 121.375 120.570 -0.346 0.000 2.194 387 I HA -0.162 4.008 4.170 -0.000 0.000 0.246 387 I C 1.847 177.876 176.117 -0.148 0.000 1.093 387 I CA 1.974 62.996 61.300 -0.463 0.000 1.355 387 I CB -1.311 36.401 38.000 -0.479 0.000 1.046 387 I HN 0.242 nan 8.210 nan 0.000 0.413 388 G N 0.751 109.495 108.800 -0.093 0.000 2.534 388 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 388 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 388 G C 1.652 176.552 174.900 0.000 0.000 1.128 388 G CA 0.593 45.671 45.100 -0.036 0.000 0.784 388 G HN 0.432 nan 8.290 nan 0.000 0.542 389 M N 0.351 119.957 119.600 0.009 0.000 2.447 389 M HA 0.093 4.573 4.480 -0.000 0.000 0.266 389 M C 2.345 178.685 176.300 0.068 0.000 1.120 389 M CA 0.807 56.130 55.300 0.037 0.000 1.166 389 M CB -0.114 32.506 32.600 0.034 0.000 1.349 389 M HN 0.151 nan 8.290 nan 0.000 0.463 390 S N 1.053 116.817 115.700 0.107 0.000 2.383 390 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 390 S C 1.844 176.503 174.600 0.098 0.000 1.030 390 S CA 1.484 59.766 58.200 0.136 0.000 1.002 390 S CB -0.862 62.493 63.200 0.258 0.000 0.829 390 S HN 0.754 nan 8.310 nan 0.000 0.467 391 G N 0.943 109.798 108.800 0.091 0.000 2.422 391 G HA2 0.007 3.967 3.960 -0.000 0.000 0.218 391 G HA3 0.007 3.967 3.960 -0.000 0.000 0.218 391 G C 1.470 176.406 174.900 0.061 0.000 1.140 391 G CA 0.848 45.991 45.100 0.071 0.000 0.775 391 G HN 0.581 nan 8.290 nan 0.000 0.545 392 A N 0.684 123.539 122.820 0.058 0.000 1.874 392 A HA 0.115 4.435 4.320 -0.000 0.000 0.214 392 A C 2.271 179.901 177.584 0.076 0.000 1.189 392 A CA 1.593 53.664 52.037 0.057 0.000 0.615 392 A CB -0.462 18.568 19.000 0.050 0.000 0.830 392 A HN 0.329 nan 8.150 nan 0.000 0.443 393 R N 0.636 121.187 120.500 0.084 0.000 2.112 393 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 393 R C 2.134 178.515 176.300 0.135 0.000 1.137 393 R CA 2.344 58.506 56.100 0.103 0.000 0.944 393 R CB -0.709 29.640 30.300 0.082 0.000 0.857 393 R HN 0.701 nan 8.270 nan 0.000 0.435 394 I N -1.675 118.964 120.570 0.115 0.000 2.286 394 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 394 I C 1.863 178.066 176.117 0.143 0.000 1.115 394 I CA 1.200 62.584 61.300 0.139 0.000 1.392 394 I CB -0.404 37.660 38.000 0.107 0.000 1.065 394 I HN -0.024 nan 8.210 nan 0.000 0.418 395 V N 2.367 122.342 119.914 0.101 0.000 2.358 395 V HA -0.105 4.014 4.120 -0.000 0.000 0.246 395 V C 2.874 179.007 176.094 0.065 0.000 1.047 395 V CA 2.084 64.426 62.300 0.070 0.000 1.035 395 V CB -1.409 30.441 31.823 0.046 0.000 0.658 395 V HN 0.644 nan 8.190 nan 0.000 0.452 396 G N -1.104 107.755 108.800 0.098 0.000 2.422 396 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 396 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 396 G C 1.435 176.450 174.900 0.193 0.000 1.140 396 G CA 1.059 46.227 45.100 0.113 0.000 0.775 396 G HN 0.640 nan 8.290 nan 0.000 0.545 397 H N 0.373 119.525 119.070 0.136 0.000 2.357 397 H HA 0.150 4.706 4.556 -0.000 0.000 0.301 397 H C 2.484 177.867 175.328 0.090 0.000 1.082 397 H CA 1.081 57.222 56.048 0.155 0.000 1.342 397 H CB -0.229 29.622 29.762 0.148 0.000 1.389 397 H HN 0.240 nan 8.280 nan 0.000 0.511 398 L N -0.415 120.798 121.223 -0.017 0.000 2.042 398 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 398 L C 2.364 179.148 176.870 -0.143 0.000 1.076 398 L CA 1.810 56.594 54.840 -0.093 0.000 0.749 398 L CB -0.613 41.434 42.059 -0.021 0.000 0.893 398 L HN 0.376 nan 8.230 nan 0.000 0.432 399 T N -2.142 112.327 114.554 -0.142 0.000 2.803 399 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 399 T C 1.728 176.237 174.700 -0.320 0.000 1.052 399 T CA 1.201 63.159 62.100 -0.236 0.000 1.136 399 T CB -0.255 68.436 68.868 -0.294 0.000 0.864 399 T HN 0.389 nan 8.240 nan 0.000 0.467 400 H N 0.093 119.077 119.070 -0.144 0.000 2.431 400 H HA 0.386 4.942 4.556 -0.000 0.000 0.295 400 H C 2.493 177.690 175.328 -0.219 0.000 1.038 400 H CA 1.047 57.000 56.048 -0.157 0.000 1.360 400 H CB -0.145 29.537 29.762 -0.133 0.000 1.433 400 H HN 0.401 nan 8.280 nan 0.000 0.536 401 A N 1.107 123.791 122.820 -0.227 0.000 2.030 401 A HA 0.128 4.448 4.320 -0.000 0.000 0.215 401 A C 1.300 178.786 177.584 -0.163 0.000 1.164 401 A CA -0.121 51.758 52.037 -0.263 0.000 0.697 401 A CB -0.367 18.348 19.000 -0.475 0.000 0.827 401 A HN 0.111 nan 8.150 nan 0.000 0.457 402 L N 0.720 121.856 121.223 -0.145 0.000 2.461 402 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 402 L C 0.178 176.988 176.870 -0.099 0.000 1.197 402 L CA -0.017 54.757 54.840 -0.110 0.000 0.836 402 L CB 0.593 42.585 42.059 -0.112 0.000 1.105 402 L HN 0.217 nan 8.230 nan 0.000 0.477 403 K N 1.543 121.892 120.400 -0.086 0.000 2.087 403 K HA 0.230 4.550 4.320 -0.000 0.000 0.255 403 K C -0.420 176.125 176.600 -0.091 0.000 0.988 403 K CA -0.722 55.518 56.287 -0.078 0.000 0.915 403 K CB 0.863 33.325 32.500 -0.062 0.000 1.043 403 K HN 0.429 nan 8.250 nan 0.000 0.457 404 Q N 0.552 120.301 119.800 -0.084 0.000 2.368 404 Q HA -0.126 4.214 4.340 -0.000 0.000 0.331 404 Q C 0.688 176.618 176.000 -0.117 0.000 1.086 404 Q CA 1.605 57.352 55.803 -0.095 0.000 1.031 404 Q CB -0.072 28.621 28.738 -0.074 0.000 1.125 404 Q HN 0.837 nan 8.270 nan 0.000 0.389 405 G N 2.987 111.692 108.800 -0.158 0.000 2.234 405 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 405 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 405 G C -0.217 174.496 174.900 -0.312 0.000 0.987 405 G CA 0.410 45.378 45.100 -0.220 0.000 0.625 405 G HN 0.672 nan 8.290 nan 0.000 0.532 406 E N -0.231 119.831 120.200 -0.230 0.000 2.366 406 E HA 0.457 4.807 4.350 -0.000 0.000 0.266 406 E C -0.612 175.832 176.600 -0.260 0.000 1.051 406 E CA -0.415 55.867 56.400 -0.197 0.000 0.884 406 E CB 0.545 30.183 29.700 -0.103 0.000 1.006 406 E HN 0.340 nan 8.360 nan 0.000 0.417 407 Y N 0.171 120.416 120.300 -0.093 0.000 2.320 407 Y HA 0.436 4.986 4.550 -0.000 0.000 0.334 407 Y C 0.793 176.590 175.900 -0.171 0.000 1.055 407 Y CA -0.366 57.660 58.100 -0.124 0.000 1.143 407 Y CB 1.870 40.250 38.460 -0.134 0.000 1.193 407 Y HN 0.499 nan 8.280 nan 0.000 0.477 408 G N 3.190 111.984 108.800 -0.009 0.000 2.448 408 G HA2 0.629 4.589 3.960 -0.000 0.000 0.324 408 G HA3 0.629 4.589 3.960 -0.000 0.000 0.324 408 G C -2.009 172.789 174.900 -0.170 0.000 1.203 408 G CA -0.770 44.259 45.100 -0.118 0.000 0.954 408 G HN 0.625 nan 8.290 nan 0.000 0.480 409 L N 1.541 122.578 121.223 -0.310 0.000 2.376 409 L HA 0.782 5.122 4.340 -0.000 0.000 0.275 409 L C -0.001 176.816 176.870 -0.088 0.000 0.987 409 L CA -0.785 53.882 54.840 -0.290 0.000 0.828 409 L CB 1.752 43.414 42.059 -0.661 0.000 1.249 409 L HN 0.664 nan 8.230 nan 0.000 0.409 410 A N 3.200 126.027 122.820 0.010 0.000 2.330 410 A HA 0.854 5.174 4.320 -0.000 0.000 0.327 410 A C -0.654 176.994 177.584 0.106 0.000 1.155 410 A CA -0.250 51.836 52.037 0.082 0.000 0.803 410 A CB 1.533 20.577 19.000 0.073 0.000 1.208 410 A HN 0.690 nan 8.150 nan 0.000 0.477 411 S N 1.327 117.107 115.700 0.133 0.000 2.564 411 S HA 0.796 5.266 4.470 -0.000 0.000 0.274 411 S C -0.949 173.715 174.600 0.108 0.000 1.124 411 S CA -0.543 57.733 58.200 0.127 0.000 0.869 411 S CB 1.346 64.640 63.200 0.157 0.000 1.105 411 S HN 1.431 nan 8.310 nan 0.000 0.472 412 I N 2.026 122.656 120.570 0.100 0.000 2.649 412 I HA 0.468 4.638 4.170 -0.000 0.000 0.289 412 I C -0.381 175.800 176.117 0.106 0.000 1.222 412 I CA -0.723 60.630 61.300 0.089 0.000 1.046 412 I CB 1.197 39.242 38.000 0.075 0.000 1.272 412 I HN 1.235 nan 8.210 nan 0.000 0.425 413 C N 5.558 124.936 119.300 0.132 0.000 2.595 413 C HA 0.649 5.109 4.460 -0.000 0.000 0.384 413 C C -0.174 174.889 174.990 0.123 0.000 1.289 413 C CA -0.333 58.797 59.018 0.186 0.000 2.372 413 C CB 0.339 28.283 27.740 0.341 0.000 2.593 413 C HN 0.873 nan 8.230 nan 0.000 0.639 414 N N 0.532 119.288 118.700 0.092 0.000 2.277 414 N HA 0.419 5.159 4.740 -0.000 0.000 0.286 414 N C -0.229 175.215 175.510 -0.110 0.000 1.140 414 N CA -0.264 52.777 53.050 -0.015 0.000 0.799 414 N CB 1.726 40.221 38.487 0.013 0.000 1.596 414 N HN 1.119 nan 8.380 nan 0.000 0.473 415 G N -0.781 107.885 108.800 -0.223 0.000 2.257 415 G HA2 0.297 4.257 3.960 -0.000 0.000 0.235 415 G HA3 0.297 4.257 3.960 -0.000 0.000 0.235 415 G C 1.198 176.078 174.900 -0.034 0.000 1.225 415 G CA 0.642 45.613 45.100 -0.216 0.000 0.878 415 G HN 1.432 nan 8.290 nan 0.000 0.505 416 G N 0.449 109.284 108.800 0.058 0.000 2.213 416 G HA2 0.222 4.182 3.960 -0.000 0.000 0.236 416 G HA3 0.222 4.182 3.960 -0.000 0.000 0.236 416 G C 1.375 176.362 174.900 0.145 0.000 0.991 416 G CA 0.875 46.079 45.100 0.173 0.000 0.629 416 G HN 2.703 nan 8.290 nan 0.000 0.517 417 G N -1.147 107.755 108.800 0.170 0.000 2.154 417 G HA2 0.349 4.309 3.960 -0.000 0.000 0.186 417 G HA3 0.349 4.309 3.960 -0.000 0.000 0.186 417 G C 1.079 176.072 174.900 0.156 0.000 1.000 417 G CA 0.847 46.062 45.100 0.191 0.000 0.664 417 G HN 1.998 nan 8.290 nan 0.000 0.513 418 G N -0.721 108.160 108.800 0.135 0.000 2.488 418 G HA2 0.980 4.940 3.960 -0.000 0.000 0.318 418 G HA3 0.980 4.940 3.960 -0.000 0.000 0.318 418 G C -0.143 174.838 174.900 0.135 0.000 1.188 418 G CA 0.090 45.257 45.100 0.111 0.000 0.944 418 G HN 1.657 nan 8.290 nan 0.000 0.495 419 A N -0.427 122.466 122.820 0.122 0.000 2.594 419 A HA 0.791 5.111 4.320 -0.000 0.000 0.295 419 A C -0.425 177.223 177.584 0.106 0.000 1.071 419 A CA -0.509 51.601 52.037 0.121 0.000 0.685 419 A CB 1.501 20.585 19.000 0.140 0.000 1.285 419 A HN 0.913 nan 8.150 nan 0.000 0.405 420 S N -0.409 115.349 115.700 0.097 0.000 2.578 420 S HA 0.903 5.373 4.470 -0.000 0.000 0.301 420 S C -0.153 174.512 174.600 0.108 0.000 1.091 420 S CA 0.051 58.309 58.200 0.097 0.000 1.032 420 S CB 1.751 64.993 63.200 0.070 0.000 1.064 420 S HN 1.847 nan 8.310 nan 0.000 0.508 421 A N 2.031 124.925 122.820 0.124 0.000 2.539 421 A HA 0.892 5.212 4.320 -0.000 0.000 0.296 421 A C -1.137 176.535 177.584 0.146 0.000 1.073 421 A CA -0.691 51.419 52.037 0.122 0.000 0.700 421 A CB 1.666 20.737 19.000 0.119 0.000 1.296 421 A HN 0.828 nan 8.150 nan 0.000 0.405 422 M N 1.721 121.392 119.600 0.118 0.000 2.371 422 M HA 0.638 5.118 4.480 -0.000 0.000 0.287 422 M C -2.408 173.936 176.300 0.072 0.000 1.149 422 M CA -0.786 54.603 55.300 0.147 0.000 0.929 422 M CB 1.815 34.499 32.600 0.139 0.000 1.683 422 M HN 0.775 nan 8.290 nan 0.000 0.470 423 L N 6.894 128.158 121.223 0.068 0.000 2.296 423 L HA 0.791 5.131 4.340 -0.000 0.000 0.286 423 L C -1.244 175.665 176.870 0.065 0.000 1.023 423 L CA -0.404 54.445 54.840 0.014 0.000 0.812 423 L CB 1.472 43.505 42.059 -0.042 0.000 1.223 423 L HN 0.730 nan 8.230 nan 0.000 0.421 424 I N 1.280 121.887 120.570 0.062 0.000 2.892 424 I HA 0.625 4.795 4.170 -0.000 0.000 0.306 424 I C -1.198 174.964 176.117 0.075 0.000 1.078 424 I CA -0.737 60.601 61.300 0.063 0.000 1.032 424 I CB 2.097 40.108 38.000 0.018 0.000 1.229 424 I HN 0.738 nan 8.210 nan 0.000 0.435 425 Q N 3.217 123.016 119.800 -0.001 0.000 2.330 425 Q HA 0.373 4.713 4.340 -0.000 0.000 0.269 425 Q C -1.086 174.817 176.000 -0.162 0.000 1.022 425 Q CA -0.982 54.715 55.803 -0.178 0.000 0.796 425 Q CB 2.087 30.608 28.738 -0.361 0.000 1.271 425 Q HN 0.635 nan 8.270 nan 0.000 0.450 426 K N 3.114 123.405 120.400 -0.182 0.000 2.401 426 K HA 0.242 4.562 4.320 -0.000 0.000 0.278 426 K C -0.922 175.593 176.600 -0.142 0.000 1.018 426 K CA 0.233 56.432 56.287 -0.145 0.000 0.981 426 K CB 0.307 32.725 32.500 -0.137 0.000 0.933 426 K HN 0.542 nan 8.250 nan 0.000 0.477 427 L N 0.000 121.157 121.223 -0.110 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.785 54.840 -0.093 0.000 0.813 427 L CB 0.000 42.015 42.059 -0.074 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502