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 2o5p_1_B DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVXXXXXX XXXXXXXXXX XXQLGTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF 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 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.026 176.000 0.043 0.000 1.003 44 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 44 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 45 E N 0.789 121.010 120.200 0.036 0.000 2.338 45 E HA 0.358 4.709 4.350 0.001 0.000 0.272 45 E C -1.106 175.493 176.600 -0.001 0.000 1.029 45 E CA -0.075 56.354 56.400 0.048 0.000 0.872 45 E CB 1.259 30.987 29.700 0.046 0.000 1.015 45 E HN 0.140 nan 8.360 nan 0.000 0.417 46 V N 2.671 122.574 119.914 -0.019 0.000 2.823 46 V HA 0.134 4.255 4.120 0.001 0.000 0.312 46 V C -0.388 175.503 176.094 -0.338 0.000 1.072 46 V CA -0.873 61.277 62.300 -0.249 0.000 0.937 46 V CB 2.073 33.622 31.823 -0.457 0.000 1.013 46 V HN 0.594 nan 8.190 nan 0.000 0.430 47 E N 2.470 122.450 120.200 -0.367 0.000 2.129 47 E HA 0.438 4.789 4.350 0.001 0.000 0.283 47 E C -1.438 174.931 176.600 -0.385 0.000 1.080 47 E CA 0.246 56.498 56.400 -0.245 0.000 0.867 47 E CB 0.247 29.858 29.700 -0.149 0.000 1.056 47 E HN 0.353 nan 8.360 nan 0.000 0.404 48 F N 2.394 122.337 119.950 -0.012 0.000 2.480 48 F HA 0.365 4.892 4.527 0.000 0.000 0.329 48 F C 0.113 175.920 175.800 0.011 0.000 1.091 48 F CA -0.825 57.170 58.000 -0.009 0.000 0.972 48 F CB 1.735 40.746 39.000 0.019 0.000 1.150 48 F HN 0.239 nan 8.300 nan 0.000 0.467 49 D N 3.842 124.378 120.400 0.228 0.000 2.472 49 D HA 0.331 4.971 4.640 0.001 0.000 0.248 49 D C -1.144 175.236 176.300 0.132 0.000 1.271 49 D CA 0.048 54.133 54.000 0.142 0.000 0.888 49 D CB 0.301 41.148 40.800 0.079 0.000 1.337 49 D HN 0.398 nan 8.370 nan 0.000 0.526 50 I N 4.094 124.748 120.570 0.139 0.000 2.502 50 I HA 0.288 4.459 4.170 0.001 0.000 0.276 50 I C -2.138 174.018 176.117 0.066 0.000 1.057 50 I CA -1.749 59.616 61.300 0.109 0.000 1.163 50 I CB 1.664 39.752 38.000 0.146 0.000 1.288 50 I HN 0.013 nan 8.210 nan 0.000 0.479 51 P HA 0.197 nan 4.420 nan 0.000 0.272 51 P C -2.569 174.744 177.300 0.020 0.000 1.230 51 P CA -1.621 61.498 63.100 0.032 0.000 0.788 51 P CB -0.406 31.311 31.700 0.028 0.000 0.949 52 P HA -0.007 nan 4.420 nan 0.000 0.260 52 P C -0.224 177.076 177.300 -0.001 0.000 1.185 52 P CA 0.924 64.024 63.100 0.000 0.000 0.763 52 P CB -0.068 31.631 31.700 -0.001 0.000 0.776 53 Q N 2.200 121.996 119.800 -0.008 0.000 2.707 53 Q HA 0.726 5.066 4.340 0.001 0.000 0.307 53 Q C -1.136 174.850 176.000 -0.022 0.000 0.934 53 Q CA -1.463 54.334 55.803 -0.009 0.000 0.753 53 Q CB 0.889 29.626 28.738 -0.001 0.000 1.478 53 Q HN 0.258 nan 8.270 nan 0.000 0.458 54 A N 0.979 123.786 122.820 -0.022 0.000 2.567 54 A HA 0.071 4.392 4.320 0.001 0.000 0.240 54 A C 0.800 178.348 177.584 -0.060 0.000 1.053 54 A CA -0.278 51.739 52.037 -0.034 0.000 0.755 54 A CB -0.039 18.947 19.000 -0.023 0.000 0.978 54 A HN 0.697 nan 8.150 nan 0.000 0.507 55 L N 3.977 125.147 121.223 -0.088 0.000 2.043 55 L HA -0.129 4.212 4.340 0.001 0.000 0.212 55 L C 2.410 179.147 176.870 -0.223 0.000 1.075 55 L CA 2.817 57.568 54.840 -0.148 0.000 0.752 55 L CB -1.315 40.646 42.059 -0.163 0.000 0.891 55 L HN 0.892 nan 8.230 nan 0.000 0.432 56 G N -1.215 107.464 108.800 -0.202 0.000 2.586 56 G HA2 -0.413 3.548 3.960 0.001 0.000 0.218 56 G HA3 -0.413 3.548 3.960 0.001 0.000 0.218 56 G C 1.636 176.471 174.900 -0.109 0.000 1.216 56 G CA 1.854 46.829 45.100 -0.208 0.000 0.786 56 G HN 0.594 nan 8.290 nan 0.000 0.583 57 S N 1.263 116.943 115.700 -0.034 0.000 2.368 57 S HA 0.173 4.644 4.470 0.001 0.000 0.224 57 S C 2.651 177.259 174.600 0.013 0.000 1.029 57 S CA 1.633 59.839 58.200 0.009 0.000 0.988 57 S CB -0.617 62.591 63.200 0.014 0.000 0.838 57 S HN 0.808 nan 8.310 nan 0.000 0.462 58 A N 2.611 125.423 122.820 -0.013 0.000 1.884 58 A HA -0.055 4.265 4.320 0.001 0.000 0.219 58 A C 2.381 179.988 177.584 0.039 0.000 1.197 58 A CA 1.891 53.934 52.037 0.010 0.000 0.637 58 A CB -1.192 17.790 19.000 -0.030 0.000 0.827 58 A HN 0.560 nan 8.150 nan 0.000 0.450 59 L N -1.294 119.895 121.223 -0.058 0.000 2.079 59 L HA -0.277 4.064 4.340 0.001 0.000 0.210 59 L C 2.952 179.901 176.870 0.131 0.000 1.081 59 L CA 1.838 56.654 54.840 -0.040 0.000 0.752 59 L CB -0.577 41.300 42.059 -0.304 0.000 0.896 59 L HN 0.535 nan 8.230 nan 0.000 0.433 60 Q N -0.448 119.424 119.800 0.120 0.000 2.079 60 Q HA -0.262 4.079 4.340 0.001 0.000 0.200 60 Q C 2.109 178.192 176.000 0.139 0.000 0.974 60 Q CA 1.698 57.593 55.803 0.154 0.000 0.840 60 Q CB 0.008 28.821 28.738 0.125 0.000 0.898 60 Q HN 0.430 nan 8.270 nan 0.000 0.430 61 E N 0.043 120.320 120.200 0.129 0.000 2.106 61 E HA -0.205 4.146 4.350 0.001 0.000 0.192 61 E C 1.573 178.283 176.600 0.183 0.000 0.984 61 E CA 0.819 57.294 56.400 0.127 0.000 0.806 61 E CB -0.147 29.619 29.700 0.109 0.000 0.750 61 E HN 0.326 nan 8.360 nan 0.000 0.458 62 F N 0.612 120.622 119.950 0.101 0.000 2.126 62 F HA -0.092 4.435 4.527 0.001 0.000 0.299 62 F C 1.971 177.887 175.800 0.194 0.000 1.096 62 F CA 1.975 60.073 58.000 0.164 0.000 1.255 62 F CB -0.568 38.473 39.000 0.068 0.000 0.997 62 F HN 0.116 nan 8.300 nan 0.000 0.479 63 G N -0.171 108.798 108.800 0.281 0.000 2.408 63 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 63 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 63 G C 1.825 176.766 174.900 0.068 0.000 1.150 63 G CA 0.567 45.774 45.100 0.179 0.000 0.776 63 G HN 0.292 nan 8.290 nan 0.000 0.542 64 R N -0.172 120.361 120.500 0.055 0.000 2.073 64 R HA -0.049 4.291 4.340 0.001 0.000 0.234 64 R C 2.855 179.133 176.300 -0.036 0.000 1.134 64 R CA 1.671 57.781 56.100 0.017 0.000 0.952 64 R CB -0.235 30.078 30.300 0.023 0.000 0.850 64 R HN 0.440 nan 8.270 nan 0.000 0.433 65 Q N -0.730 119.025 119.800 -0.075 0.000 2.137 65 Q HA 0.013 4.354 4.340 0.001 0.000 0.198 65 Q C 1.889 177.676 176.000 -0.355 0.000 0.960 65 Q CA 1.213 56.894 55.803 -0.204 0.000 0.847 65 Q CB 0.153 28.774 28.738 -0.195 0.000 0.915 65 Q HN 0.306 nan 8.270 nan 0.000 0.448 66 A N 0.973 123.602 122.820 -0.318 0.000 2.123 66 A HA -0.073 4.248 4.320 0.001 0.000 0.214 66 A C 0.555 178.082 177.584 -0.095 0.000 1.152 66 A CA 0.884 52.762 52.037 -0.264 0.000 0.728 66 A CB 0.014 18.856 19.000 -0.264 0.000 0.814 66 A HN 0.443 nan 8.150 nan 0.000 0.464 67 D N -2.417 117.952 120.400 -0.051 0.000 2.870 67 D HA -0.165 4.475 4.640 0.001 0.000 0.228 67 D C -0.345 176.000 176.300 0.076 0.000 1.147 67 D CA 1.000 55.014 54.000 0.023 0.000 0.757 67 D CB -1.682 39.129 40.800 0.018 0.000 1.091 67 D HN 0.453 nan 8.370 nan 0.000 0.429 68 I N 0.163 120.792 120.570 0.099 0.000 2.686 68 I HA 0.320 4.491 4.170 0.001 0.000 0.295 68 I C -0.201 176.024 176.117 0.180 0.000 1.114 68 I CA -0.902 60.489 61.300 0.151 0.000 1.038 68 I CB 1.680 39.788 38.000 0.181 0.000 1.238 68 I HN -0.014 nan 8.210 nan 0.000 0.420 69 Q N 4.586 124.488 119.800 0.169 0.000 2.313 69 Q HA 0.438 4.778 4.340 0.001 0.000 0.266 69 Q C -1.654 174.440 176.000 0.156 0.000 0.989 69 Q CA -0.017 55.885 55.803 0.165 0.000 0.890 69 Q CB 1.122 29.955 28.738 0.159 0.000 1.200 69 Q HN 0.436 nan 8.270 nan 0.000 0.396 70 V N 6.066 126.082 119.914 0.170 0.000 2.417 70 V HA 0.439 4.559 4.120 0.001 0.000 0.291 70 V C -0.341 175.854 176.094 0.169 0.000 1.024 70 V CA -0.735 61.665 62.300 0.168 0.000 0.861 70 V CB 1.239 33.193 31.823 0.217 0.000 0.985 70 V HN 0.732 nan 8.190 nan 0.000 0.436 71 L N 6.240 127.539 121.223 0.127 0.000 2.329 71 L HA 0.786 5.127 4.340 0.001 0.000 0.279 71 L C -0.841 176.121 176.870 0.153 0.000 1.014 71 L CA -0.717 54.163 54.840 0.066 0.000 0.814 71 L CB 1.654 43.744 42.059 0.053 0.000 1.257 71 L HN 0.854 nan 8.230 nan 0.000 0.424 72 Y N 0.137 120.436 120.300 -0.002 0.000 2.620 72 Y HA 0.537 5.088 4.550 0.001 0.000 0.331 72 Y C -1.230 174.668 175.900 -0.004 0.000 1.173 72 Y CA -1.501 56.592 58.100 -0.012 0.000 1.076 72 Y CB 1.025 39.471 38.460 -0.024 0.000 1.336 72 Y HN 0.363 nan 8.280 nan 0.000 0.459 73 R N 3.335 123.924 120.500 0.147 0.000 2.234 73 R HA 0.359 4.700 4.340 0.001 0.000 0.324 73 R C -2.094 174.330 176.300 0.207 0.000 1.054 73 R CA -1.821 54.326 56.100 0.078 0.000 0.912 73 R CB 0.874 31.209 30.300 0.058 0.000 1.030 73 R HN 0.478 nan 8.270 nan 0.000 0.455 74 P HA -0.245 nan 4.420 nan 0.000 0.216 74 P C 0.652 178.030 177.300 0.130 0.000 1.150 74 P CA 1.189 64.420 63.100 0.219 0.000 0.837 74 P CB 0.176 31.943 31.700 0.112 0.000 0.786 75 E N 0.665 120.913 120.200 0.079 0.000 2.160 75 E HA -0.231 4.119 4.350 0.001 0.000 0.195 75 E C 1.508 178.137 176.600 0.047 0.000 0.991 75 E CA 1.328 57.758 56.400 0.050 0.000 0.810 75 E CB -0.836 28.885 29.700 0.035 0.000 0.742 75 E HN 0.367 nan 8.360 nan 0.000 0.466 76 E N 0.540 120.777 120.200 0.062 0.000 2.250 76 E HA -0.050 4.301 4.350 0.001 0.000 0.192 76 E C 2.044 178.659 176.600 0.025 0.000 0.986 76 E CA 0.956 57.382 56.400 0.043 0.000 0.849 76 E CB 0.635 30.364 29.700 0.048 0.000 0.797 76 E HN 0.329 nan 8.360 nan 0.000 0.482 77 V N -0.739 119.195 119.914 0.033 0.000 3.578 77 V HA 0.123 4.243 4.120 0.001 0.000 0.290 77 V C 1.962 178.039 176.094 -0.027 0.000 1.376 77 V CA 0.358 62.639 62.300 -0.033 0.000 1.083 77 V CB -0.032 31.706 31.823 -0.142 0.000 0.911 77 V HN 0.095 nan 8.190 nan 0.000 0.433 78 R N 1.709 122.216 120.500 0.011 0.000 2.211 78 R HA -0.080 4.260 4.340 0.001 0.000 0.240 78 R C 0.729 177.027 176.300 -0.004 0.000 1.144 78 R CA 2.386 58.493 56.100 0.013 0.000 0.992 78 R CB -0.723 29.593 30.300 0.027 0.000 0.869 78 R HN 0.657 nan 8.270 nan 0.000 0.462 79 N N 0.105 118.799 118.700 -0.010 0.000 2.553 79 N HA 0.155 4.896 4.740 0.001 0.000 0.298 79 N C -1.424 174.073 175.510 -0.021 0.000 1.596 79 N CA -0.467 52.575 53.050 -0.013 0.000 0.910 79 N CB 0.874 39.357 38.487 -0.006 0.000 1.336 79 N HN 0.022 nan 8.380 nan 0.000 0.497 80 K N 0.828 121.208 120.400 -0.034 0.000 2.328 80 K HA 0.415 4.736 4.320 0.001 0.000 0.246 80 K C -0.591 175.981 176.600 -0.046 0.000 0.955 80 K CA -0.638 55.624 56.287 -0.042 0.000 0.817 80 K CB 2.579 35.044 32.500 -0.057 0.000 1.208 80 K HN 0.100 nan 8.250 nan 0.000 0.432 81 R N 1.092 121.567 120.500 -0.041 0.000 2.346 81 R HA 0.212 4.553 4.340 0.001 0.000 0.311 81 R C -0.140 176.130 176.300 -0.049 0.000 0.983 81 R CA -0.218 55.859 56.100 -0.038 0.000 0.880 81 R CB 0.971 31.255 30.300 -0.027 0.000 1.100 81 R HN 0.842 nan 8.270 nan 0.000 0.453 82 S N 2.462 118.131 115.700 -0.051 0.000 2.580 82 S HA 0.238 4.708 4.470 0.001 0.000 0.274 82 S C -0.136 174.442 174.600 -0.038 0.000 1.329 82 S CA -0.771 57.395 58.200 -0.056 0.000 1.036 82 S CB 1.374 64.541 63.200 -0.055 0.000 0.919 82 S HN 0.608 nan 8.310 nan 0.000 0.515 83 S N 1.349 117.024 115.700 -0.040 0.000 2.646 83 S HA 0.700 5.170 4.470 0.001 0.000 0.276 83 S C 0.145 174.735 174.600 -0.018 0.000 1.222 83 S CA -0.754 57.430 58.200 -0.026 0.000 1.014 83 S CB 0.910 64.094 63.200 -0.027 0.000 0.991 83 S HN 1.206 nan 8.310 nan 0.000 0.533 84 A N 1.784 124.602 122.820 -0.005 0.000 2.454 84 A HA 0.554 4.874 4.320 0.001 0.000 0.260 84 A C 0.223 177.815 177.584 0.013 0.000 1.106 84 A CA -0.736 51.307 52.037 0.010 0.000 0.780 84 A CB -0.721 18.289 19.000 0.016 0.000 1.044 84 A HN 0.860 nan 8.150 nan 0.000 0.498 85 I N -0.437 120.148 120.570 0.026 0.000 2.562 85 I HA 0.938 5.109 4.170 0.001 0.000 0.301 85 I C -0.471 175.697 176.117 0.084 0.000 1.003 85 I CA -1.066 60.253 61.300 0.033 0.000 1.127 85 I CB 2.073 40.060 38.000 -0.021 0.000 1.304 85 I HN 0.518 nan 8.210 nan 0.000 0.446 86 K N 3.209 123.667 120.400 0.096 0.000 2.578 86 K HA 0.741 5.062 4.320 0.001 0.000 0.269 86 K C -0.459 176.211 176.600 0.117 0.000 0.941 86 K CA 0.383 56.737 56.287 0.112 0.000 0.847 86 K CB 1.965 34.508 32.500 0.072 0.000 1.397 86 K HN 1.376 nan 8.250 nan 0.000 0.422 87 G N 2.168 111.039 108.800 0.118 0.000 2.582 87 G HA2 -0.150 3.810 3.960 0.001 0.000 0.222 87 G HA3 -0.150 3.810 3.960 0.001 0.000 0.222 87 G C -1.400 173.577 174.900 0.128 0.000 1.311 87 G CA -0.340 44.818 45.100 0.097 0.000 0.915 87 G HN 0.618 nan 8.290 nan 0.000 0.528 88 K N 0.599 121.057 120.400 0.096 0.000 2.231 88 K HA 0.572 4.893 4.320 0.001 0.000 0.275 88 K C 0.199 176.884 176.600 0.141 0.000 1.105 88 K CA -0.360 55.984 56.287 0.095 0.000 0.931 88 K CB -0.400 32.128 32.500 0.047 0.000 1.296 88 K HN 0.450 nan 8.250 nan 0.000 0.446 89 L N 2.274 123.652 121.223 0.258 0.000 2.322 89 L HA 0.404 4.745 4.340 0.001 0.000 0.269 89 L C 0.367 177.412 176.870 0.293 0.000 1.012 89 L CA -1.268 53.726 54.840 0.256 0.000 0.815 89 L CB 1.489 43.694 42.059 0.242 0.000 1.295 89 L HN 0.436 nan 8.230 nan 0.000 0.438 90 E N 1.574 121.893 120.200 0.198 0.000 2.392 90 E HA 0.044 4.394 4.350 0.001 0.000 0.264 90 E C -1.727 175.046 176.600 0.289 0.000 1.024 90 E CA -1.384 55.133 56.400 0.193 0.000 0.903 90 E CB 0.998 30.762 29.700 0.107 0.000 0.963 90 E HN 0.321 nan 8.360 nan 0.000 0.432 91 P HA -0.208 nan 4.420 nan 0.000 0.215 91 P C 1.024 178.599 177.300 0.459 0.000 1.157 91 P CA 1.481 64.877 63.100 0.492 0.000 0.874 91 P CB 0.145 32.110 31.700 0.442 0.000 0.790 92 N N 0.222 119.109 118.700 0.311 0.000 2.166 92 N HA -0.217 4.524 4.740 0.001 0.000 0.186 92 N C 1.809 177.411 175.510 0.153 0.000 1.019 92 N CA 1.572 54.771 53.050 0.248 0.000 0.856 92 N CB -1.446 36.939 38.487 -0.170 0.000 0.993 92 N HN 0.268 nan 8.380 nan 0.000 0.426 93 Q N -0.104 119.755 119.800 0.097 0.000 2.167 93 Q HA 0.057 4.398 4.340 0.001 0.000 0.202 93 Q C 1.794 177.802 176.000 0.013 0.000 0.970 93 Q CA 1.408 57.241 55.803 0.049 0.000 0.855 93 Q CB -0.102 28.667 28.738 0.051 0.000 0.911 93 Q HN 0.517 nan 8.270 nan 0.000 0.438 94 A N 0.668 123.485 122.820 -0.005 0.000 1.855 94 A HA -0.100 4.220 4.320 0.001 0.000 0.213 94 A C 1.941 179.428 177.584 -0.162 0.000 1.195 94 A CA 0.932 52.883 52.037 -0.144 0.000 0.610 94 A CB -0.601 18.060 19.000 -0.566 0.000 0.837 94 A HN 0.471 nan 8.150 nan 0.000 0.444 95 I N -0.211 120.230 120.570 -0.214 0.000 2.163 95 I HA -0.212 3.959 4.170 0.001 0.000 0.243 95 I C 2.371 178.314 176.117 -0.289 0.000 1.085 95 I CA 2.427 63.366 61.300 -0.602 0.000 1.347 95 I CB -0.693 36.840 38.000 -0.778 0.000 1.044 95 I HN 0.312 nan 8.210 nan 0.000 0.408 96 T N 0.405 114.890 114.554 -0.116 0.000 2.653 96 T HA -0.235 4.116 4.350 0.001 0.000 0.268 96 T C 1.896 176.551 174.700 -0.076 0.000 1.035 96 T CA 1.941 64.005 62.100 -0.059 0.000 1.154 96 T CB -0.220 68.649 68.868 0.002 0.000 0.862 96 T HN 0.402 nan 8.240 nan 0.000 0.441 97 E N 0.375 120.527 120.200 -0.079 0.000 2.170 97 E HA 0.069 4.420 4.350 0.001 0.000 0.191 97 E C 2.213 178.765 176.600 -0.080 0.000 0.981 97 E CA 0.277 56.639 56.400 -0.063 0.000 0.830 97 E CB -0.364 29.310 29.700 -0.044 0.000 0.775 97 E HN 0.462 nan 8.360 nan 0.000 0.470 98 L N 0.463 121.613 121.223 -0.121 0.000 2.127 98 L HA -0.125 4.215 4.340 0.001 0.000 0.211 98 L C 1.945 178.742 176.870 -0.122 0.000 1.089 98 L CA 0.993 55.760 54.840 -0.121 0.000 0.757 98 L CB 0.004 41.959 42.059 -0.175 0.000 0.899 98 L HN 0.091 nan 8.230 nan 0.000 0.434 99 L N -0.704 120.437 121.223 -0.136 0.000 2.567 99 L HA 0.093 4.434 4.340 0.001 0.000 0.225 99 L C 1.129 177.952 176.870 -0.078 0.000 1.119 99 L CA -0.294 54.475 54.840 -0.118 0.000 0.871 99 L CB -0.233 41.744 42.059 -0.135 0.000 1.036 99 L HN 0.119 nan 8.230 nan 0.000 0.459 100 R N 0.899 121.360 120.500 -0.064 0.000 2.504 100 R HA 0.050 4.390 4.340 0.001 0.000 0.291 100 R C 1.104 177.381 176.300 -0.038 0.000 0.974 100 R CA 1.096 57.170 56.100 -0.043 0.000 1.077 100 R CB 0.178 30.458 30.300 -0.034 0.000 0.926 100 R HN 0.358 nan 8.270 nan 0.000 0.407 101 G N 2.344 111.125 108.800 -0.032 0.000 2.162 101 G HA2 -0.355 3.606 3.960 0.001 0.000 0.260 101 G HA3 -0.355 3.606 3.960 0.001 0.000 0.260 101 G C 0.750 175.631 174.900 -0.032 0.000 0.976 101 G CA 0.885 45.969 45.100 -0.027 0.000 0.655 101 G HN 0.725 nan 8.290 nan 0.000 0.533 102 T N -2.541 111.988 114.554 -0.042 0.000 3.067 102 T HA 0.408 4.759 4.350 0.001 0.000 0.257 102 T C 2.453 177.130 174.700 -0.038 0.000 1.105 102 T CA 1.562 63.634 62.100 -0.046 0.000 1.104 102 T CB 0.181 69.009 68.868 -0.067 0.000 0.925 102 T HN 2.168 nan 8.240 nan 0.000 0.498 103 G N 1.223 110.004 108.800 -0.032 0.000 2.148 103 G HA2 0.007 3.968 3.960 0.001 0.000 0.254 103 G HA3 0.007 3.968 3.960 0.001 0.000 0.254 103 G C 0.169 175.053 174.900 -0.026 0.000 0.981 103 G CA -0.004 45.082 45.100 -0.024 0.000 0.670 103 G HN 1.212 nan 8.290 nan 0.000 0.528 104 A N -0.467 122.330 122.820 -0.038 0.000 2.320 104 A HA 0.958 5.279 4.320 0.001 0.000 0.334 104 A C 0.401 177.959 177.584 -0.044 0.000 1.147 104 A CA 0.607 52.618 52.037 -0.043 0.000 0.820 104 A CB 1.451 20.414 19.000 -0.063 0.000 1.218 104 A HN 1.698 nan 8.150 nan 0.000 0.482 105 S N -0.501 115.177 115.700 -0.037 0.000 2.677 105 S HA 0.815 5.286 4.470 0.001 0.000 0.304 105 S C -0.754 173.817 174.600 -0.049 0.000 1.108 105 S CA -0.684 57.499 58.200 -0.029 0.000 0.944 105 S CB 1.432 64.629 63.200 -0.006 0.000 1.127 105 S HN 1.141 nan 8.310 nan 0.000 0.511 106 V N 0.685 120.576 119.914 -0.038 0.000 2.483 106 V HA 0.511 4.632 4.120 0.001 0.000 0.297 106 V C -1.302 174.764 176.094 -0.046 0.000 1.027 106 V CA -0.763 61.472 62.300 -0.109 0.000 0.855 106 V CB 1.323 33.023 31.823 -0.205 0.000 0.995 106 V HN 0.839 nan 8.190 nan 0.000 0.424 107 D N 2.516 122.863 120.400 -0.088 0.000 2.210 107 D HA 0.552 5.192 4.640 0.001 0.000 0.249 107 D C -0.142 176.082 176.300 -0.127 0.000 1.078 107 D CA -0.103 53.891 54.000 -0.010 0.000 0.875 107 D CB 1.484 42.283 40.800 -0.003 0.000 1.175 107 D HN 0.484 nan 8.370 nan 0.000 0.440 108 F N 0.687 120.645 119.950 0.013 0.000 2.684 108 F HA 0.172 4.699 4.527 0.001 0.000 0.298 108 F C 1.077 176.886 175.800 0.015 0.000 1.120 108 F CA -0.379 57.636 58.000 0.026 0.000 1.332 108 F CB 0.117 39.136 39.000 0.032 0.000 0.986 108 F HN 0.209 nan 8.300 nan 0.000 0.524 109 Q N 0.580 120.442 119.800 0.104 0.000 2.337 109 Q HA 0.421 4.761 4.340 0.001 0.000 0.270 109 Q C 1.054 177.060 176.000 0.009 0.000 1.002 109 Q CA 0.916 56.747 55.803 0.047 0.000 0.888 109 Q CB 0.665 29.403 28.738 0.000 0.000 1.222 109 Q HN 0.548 nan 8.270 nan 0.000 0.400 110 G N 3.252 112.059 108.800 0.011 0.000 2.569 110 G HA2 -0.314 3.647 3.960 0.001 0.000 0.259 110 G HA3 -0.314 3.647 3.960 0.001 0.000 0.259 110 G C -0.029 174.904 174.900 0.055 0.000 1.263 110 G CA 0.053 45.156 45.100 0.005 0.000 0.928 110 G HN 0.827 nan 8.290 nan 0.000 0.572 111 N N 1.854 120.590 118.700 0.060 0.000 2.279 111 N HA 0.470 5.211 4.740 0.001 0.000 0.226 111 N C 0.347 175.917 175.510 0.101 0.000 1.126 111 N CA 0.859 53.963 53.050 0.089 0.000 0.846 111 N CB 0.866 39.403 38.487 0.083 0.000 1.050 111 N HN 1.120 nan 8.380 nan 0.000 0.502 112 A N 0.896 123.764 122.820 0.079 0.000 2.449 112 A HA 0.619 4.940 4.320 0.001 0.000 0.302 112 A C -0.113 177.471 177.584 -0.001 0.000 1.048 112 A CA -0.870 51.210 52.037 0.072 0.000 0.708 112 A CB 1.142 20.203 19.000 0.101 0.000 1.274 112 A HN 0.277 nan 8.150 nan 0.000 0.410 113 I N 0.564 121.100 120.570 -0.057 0.000 2.441 113 I HA 0.650 4.820 4.170 0.001 0.000 0.287 113 I C 0.280 176.324 176.117 -0.122 0.000 1.049 113 I CA -0.025 61.132 61.300 -0.239 0.000 1.381 113 I CB 1.415 39.134 38.000 -0.467 0.000 1.409 113 I HN 0.565 nan 8.210 nan 0.000 0.523 114 T N 5.548 120.026 114.554 -0.127 0.000 2.797 114 T HA 0.622 4.972 4.350 0.001 0.000 0.279 114 T C -0.230 174.433 174.700 -0.062 0.000 0.991 114 T CA -0.791 61.282 62.100 -0.044 0.000 0.979 114 T CB 1.317 70.180 68.868 -0.008 0.000 0.943 114 T HN 0.489 nan 8.240 nan 0.000 0.444 115 I N 3.834 124.399 120.570 -0.007 0.000 2.359 115 I HA 0.507 4.678 4.170 0.001 0.000 0.294 115 I C 0.619 176.749 176.117 0.021 0.000 0.987 115 I CA -0.570 60.719 61.300 -0.018 0.000 1.225 115 I CB 1.219 39.206 38.000 -0.021 0.000 1.366 115 I HN 0.995 nan 8.210 nan 0.000 0.466 116 S N 5.068 120.768 115.700 -0.000 0.000 2.732 116 S HA 0.801 5.272 4.470 0.001 0.000 0.293 116 S C -0.538 174.063 174.600 0.001 0.000 1.159 116 S CA -0.714 57.494 58.200 0.013 0.000 0.847 116 S CB 2.249 65.457 63.200 0.013 0.000 1.169 116 S HN 0.285 nan 8.310 nan 0.000 0.501 137 L N 1.180 122.445 121.223 0.070 0.000 2.629 137 L HA 0.389 4.730 4.340 0.001 0.000 0.230 137 L C 0.993 177.874 176.870 0.018 0.000 1.151 137 L CA 0.612 55.474 54.840 0.038 0.000 0.924 137 L CB 0.133 42.218 42.059 0.044 0.000 1.137 137 L HN 0.353 nan 8.230 nan 0.000 0.457 138 G N 0.194 109.009 108.800 0.026 0.000 2.582 138 G HA2 -0.208 3.752 3.960 0.001 0.000 0.222 138 G HA3 -0.208 3.752 3.960 0.001 0.000 0.222 138 G C -0.140 174.776 174.900 0.026 0.000 1.311 138 G CA -0.411 44.699 45.100 0.016 0.000 0.915 138 G HN 0.164 nan 8.290 nan 0.000 0.528 139 T N -1.100 113.468 114.554 0.022 0.000 2.856 139 T HA 0.641 4.992 4.350 0.001 0.000 0.292 139 T C 0.811 175.532 174.700 0.034 0.000 0.980 139 T CA -0.356 61.762 62.100 0.029 0.000 1.091 139 T CB 1.118 70.001 68.868 0.025 0.000 0.936 139 T HN 0.797 nan 8.240 nan 0.000 0.503 140 I N 3.610 124.205 120.570 0.043 0.000 2.618 140 I HA 0.080 4.250 4.170 0.001 0.000 0.284 140 I C 2.028 178.172 176.117 0.045 0.000 1.146 140 I CA -0.079 61.251 61.300 0.049 0.000 1.425 140 I CB 0.993 39.029 38.000 0.058 0.000 1.383 140 I HN 1.008 nan 8.210 nan 0.000 0.562 141 T N 0.951 115.533 114.554 0.047 0.000 3.009 141 T HA 0.008 4.358 4.350 0.001 0.000 0.258 141 T C 0.804 175.535 174.700 0.052 0.000 1.063 141 T CA -0.234 61.897 62.100 0.050 0.000 1.139 141 T CB -0.207 68.693 68.868 0.053 0.000 0.890 141 T HN 0.597 nan 8.240 nan 0.000 0.471 142 E N 1.692 121.922 120.200 0.050 0.000 2.975 142 E HA -0.127 4.223 4.350 0.001 0.000 0.269 142 E C -0.163 176.459 176.600 0.035 0.000 0.905 142 E CA 0.711 57.137 56.400 0.043 0.000 0.967 142 E CB -0.077 29.651 29.700 0.047 0.000 0.925 142 E HN 0.339 nan 8.360 nan 0.000 0.507 143 D N 1.168 121.583 120.400 0.024 0.000 2.978 143 D HA -0.254 4.386 4.640 0.001 0.000 0.205 143 D C 0.930 177.243 176.300 0.022 0.000 1.093 143 D CA 1.522 55.533 54.000 0.019 0.000 1.006 143 D CB -1.590 39.224 40.800 0.023 0.000 1.116 143 D HN 0.441 nan 8.370 nan 0.000 0.419 144 S N -0.871 114.848 115.700 0.030 0.000 2.501 144 S HA 0.266 4.737 4.470 0.001 0.000 0.220 144 S C 1.935 176.548 174.600 0.021 0.000 0.997 144 S CA 1.249 59.467 58.200 0.028 0.000 0.919 144 S CB 0.334 63.556 63.200 0.037 0.000 0.778 144 S HN 1.059 nan 8.310 nan 0.000 0.523 145 G N 1.068 109.883 108.800 0.025 0.000 2.212 145 G HA2 -0.284 3.676 3.960 0.001 0.000 0.267 145 G HA3 -0.284 3.676 3.960 0.001 0.000 0.267 145 G C 0.088 174.984 174.900 -0.007 0.000 1.002 145 G CA 0.699 45.805 45.100 0.010 0.000 0.729 145 G HN 1.235 nan 8.290 nan 0.000 0.517 146 S N -1.452 114.274 115.700 0.043 0.000 2.578 146 S HA 0.700 5.170 4.470 0.001 0.000 0.301 146 S C 0.868 175.604 174.600 0.227 0.000 1.091 146 S CA -0.715 57.510 58.200 0.043 0.000 1.032 146 S CB 1.090 64.315 63.200 0.041 0.000 1.064 146 S HN 0.255 nan 8.310 nan 0.000 0.508 147 Y N 1.798 122.129 120.300 0.051 0.000 2.466 147 Y HA 0.293 4.844 4.550 0.001 0.000 0.272 147 Y C 1.539 177.462 175.900 0.038 0.000 1.169 147 Y CA -0.198 57.938 58.100 0.059 0.000 1.285 147 Y CB -0.546 37.967 38.460 0.088 0.000 1.078 147 Y HN 0.583 nan 8.280 nan 0.000 0.523 148 T N 2.881 117.540 114.554 0.174 0.000 2.902 148 T HA 0.385 4.736 4.350 0.001 0.000 0.283 148 T C -2.494 172.247 174.700 0.068 0.000 1.009 148 T CA -2.092 60.069 62.100 0.101 0.000 1.051 148 T CB 1.406 70.319 68.868 0.076 0.000 0.999 148 T HN -0.144 nan 8.240 nan 0.000 0.474 149 P HA 0.314 nan 4.420 nan 0.000 0.276 149 P C 0.442 177.754 177.300 0.020 0.000 1.261 149 P CA -0.284 62.830 63.100 0.024 0.000 0.800 149 P CB 0.766 32.467 31.700 0.002 0.000 1.066 150 G N 0.395 109.204 108.800 0.016 0.000 2.600 150 G HA2 0.201 4.162 3.960 0.001 0.000 0.225 150 G HA3 0.201 4.162 3.960 0.001 0.000 0.225 150 G C -0.053 174.848 174.900 0.002 0.000 1.623 150 G CA 0.435 45.542 45.100 0.012 0.000 0.903 150 G HN 0.701 nan 8.290 nan 0.000 0.574 151 T N -0.707 113.848 114.554 0.002 0.000 2.912 151 T HA 0.695 5.046 4.350 0.001 0.000 0.288 151 T C -0.375 174.318 174.700 -0.012 0.000 1.030 151 T CA -0.697 61.400 62.100 -0.005 0.000 1.020 151 T CB 2.012 70.881 68.868 0.002 0.000 1.056 151 T HN 0.691 nan 8.240 nan 0.000 0.480 152 I N -1.757 118.798 120.570 -0.025 0.000 2.769 152 I HA 0.796 4.967 4.170 0.001 0.000 0.298 152 I C -0.168 175.918 176.117 -0.051 0.000 1.128 152 I CA -1.788 59.487 61.300 -0.041 0.000 1.031 152 I CB 2.212 40.176 38.000 -0.059 0.000 1.235 152 I HN 0.777 nan 8.210 nan 0.000 0.423 153 A N 2.506 125.288 122.820 -0.064 0.000 2.676 153 A HA 0.368 4.688 4.320 0.001 0.000 0.297 153 A C 0.943 178.445 177.584 -0.137 0.000 1.132 153 A CA -0.188 51.797 52.037 -0.086 0.000 0.972 153 A CB -0.523 18.440 19.000 -0.062 0.000 1.197 153 A HN 0.841 nan 8.150 nan 0.000 0.524 154 T N -0.515 113.954 114.554 -0.142 0.000 2.851 154 T HA 0.058 4.408 4.350 0.001 0.000 0.262 154 T C 2.178 176.751 174.700 -0.213 0.000 1.043 154 T CA 1.381 63.378 62.100 -0.172 0.000 1.140 154 T CB -0.061 68.712 68.868 -0.159 0.000 0.872 154 T HN 0.536 nan 8.240 nan 0.000 0.446 155 A N 1.944 124.639 122.820 -0.209 0.000 1.898 155 A HA 0.033 4.354 4.320 0.001 0.000 0.214 155 A C 2.336 179.693 177.584 -0.377 0.000 1.183 155 A CA 1.665 53.554 52.037 -0.247 0.000 0.622 155 A CB -0.554 18.328 19.000 -0.197 0.000 0.824 155 A HN 0.574 nan 8.150 nan 0.000 0.444 156 T N -6.523 107.833 114.554 -0.329 0.000 3.087 156 T HA 0.413 4.763 4.350 0.001 0.000 0.283 156 T C 0.719 175.270 174.700 -0.249 0.000 0.956 156 T CA 0.476 62.366 62.100 -0.350 0.000 0.894 156 T CB 0.626 69.360 68.868 -0.223 0.000 1.160 156 T HN 0.323 nan 8.240 nan 0.000 0.532 157 R N -0.441 119.904 120.500 -0.259 0.000 3.870 157 R HA -0.115 4.225 4.340 0.001 0.000 0.463 157 R C -0.307 175.914 176.300 -0.131 0.000 0.790 157 R CA 0.942 56.882 56.100 -0.266 0.000 1.576 157 R CB -2.288 27.799 30.300 -0.355 0.000 2.233 157 R HN 0.578 nan 8.270 nan 0.000 0.463 158 L N 1.500 122.678 121.223 -0.077 0.000 2.410 158 L HA 0.175 4.516 4.340 0.001 0.000 0.273 158 L C 0.282 177.145 176.870 -0.013 0.000 1.144 158 L CA -0.367 54.464 54.840 -0.014 0.000 0.863 158 L CB 0.977 43.064 42.059 0.047 0.000 1.140 158 L HN -0.127 nan 8.230 nan 0.000 0.463 159 V N 6.615 126.530 119.914 0.001 0.000 2.421 159 V HA 0.124 4.245 4.120 0.001 0.000 0.271 159 V C 0.311 176.411 176.094 0.010 0.000 1.031 159 V CA 0.326 62.628 62.300 0.003 0.000 1.032 159 V CB 0.019 31.851 31.823 0.015 0.000 1.009 159 V HN 0.478 nan 8.190 nan 0.000 0.477 160 L N 3.977 125.202 121.223 0.004 0.000 2.376 160 L HA 0.609 4.950 4.340 0.001 0.000 0.258 160 L C 0.429 177.296 176.870 -0.005 0.000 1.013 160 L CA -0.825 54.025 54.840 0.016 0.000 0.822 160 L CB 2.537 44.626 42.059 0.050 0.000 1.388 160 L HN 0.595 nan 8.230 nan 0.000 0.413 161 T N -2.705 111.848 114.554 -0.003 0.000 2.813 161 T HA 0.212 4.562 4.350 0.001 0.000 0.297 161 T C -2.053 172.626 174.700 -0.035 0.000 1.036 161 T CA -1.250 60.840 62.100 -0.016 0.000 1.044 161 T CB 0.977 69.836 68.868 -0.015 0.000 0.993 161 T HN 0.363 nan 8.240 nan 0.000 0.535 162 P HA -0.071 nan 4.420 nan 0.000 0.215 162 P C 1.711 178.952 177.300 -0.098 0.000 1.153 162 P CA 0.825 63.879 63.100 -0.076 0.000 0.853 162 P CB 0.001 31.668 31.700 -0.054 0.000 0.788 163 R N 0.579 121.041 120.500 -0.064 0.000 2.117 163 R HA -0.186 4.154 4.340 0.001 0.000 0.243 163 R C 1.719 178.000 176.300 -0.032 0.000 1.143 163 R CA 1.661 57.730 56.100 -0.051 0.000 0.968 163 R CB -0.361 29.912 30.300 -0.046 0.000 0.863 163 R HN 0.242 nan 8.270 nan 0.000 0.444 164 E N -0.645 119.549 120.200 -0.010 0.000 2.435 164 E HA -0.011 4.340 4.350 0.001 0.000 0.195 164 E C -0.257 176.370 176.600 0.044 0.000 1.029 164 E CA 0.518 56.953 56.400 0.060 0.000 0.865 164 E CB 0.440 30.189 29.700 0.081 0.000 0.833 164 E HN 0.178 nan 8.360 nan 0.000 0.510 165 T N 3.236 117.730 114.554 -0.100 0.000 2.728 165 T HA 0.140 4.490 4.350 0.001 0.000 0.296 165 T C -2.210 172.262 174.700 -0.380 0.000 0.940 165 T CA -1.455 60.514 62.100 -0.219 0.000 1.013 165 T CB 1.359 70.111 68.868 -0.195 0.000 0.912 165 T HN -0.025 nan 8.240 nan 0.000 0.484 166 P HA 0.213 nan 4.420 nan 0.000 0.226 166 P C -0.436 176.726 177.300 -0.231 0.000 1.758 166 P CA -0.068 62.855 63.100 -0.296 0.000 0.896 166 P CB 0.159 31.786 31.700 -0.123 0.000 1.784 167 Q N -0.751 118.802 119.800 -0.412 0.000 2.426 167 Q HA 0.329 4.670 4.340 0.001 0.000 0.278 167 Q C -0.839 175.051 176.000 -0.183 0.000 1.007 167 Q CA -0.544 55.163 55.803 -0.159 0.000 0.850 167 Q CB 1.953 30.606 28.738 -0.141 0.000 1.427 167 Q HN -0.136 nan 8.270 nan 0.000 0.391 168 S N 1.889 117.565 115.700 -0.040 0.000 2.515 168 S HA 0.276 4.747 4.470 0.001 0.000 0.285 168 S C -0.549 173.990 174.600 -0.101 0.000 1.265 168 S CA 0.104 58.281 58.200 -0.038 0.000 1.079 168 S CB -0.106 63.077 63.200 -0.030 0.000 0.877 168 S HN 0.386 nan 8.310 nan 0.000 0.493 169 I N 4.204 124.716 120.570 -0.097 0.000 2.497 169 I HA 0.334 4.505 4.170 0.001 0.000 0.284 169 I C -0.531 175.539 176.117 -0.077 0.000 1.060 169 I CA 0.137 61.373 61.300 -0.105 0.000 1.071 169 I CB 1.601 39.528 38.000 -0.123 0.000 1.216 169 I HN 0.445 nan 8.210 nan 0.000 0.442 170 T N 6.227 120.731 114.554 -0.083 0.000 2.859 170 T HA 0.734 5.085 4.350 0.001 0.000 0.281 170 T C -0.768 173.885 174.700 -0.079 0.000 1.005 170 T CA -0.508 61.553 62.100 -0.065 0.000 1.025 170 T CB 1.669 70.497 68.868 -0.067 0.000 0.977 170 T HN 0.307 nan 8.240 nan 0.000 0.458 171 V N 3.126 123.005 119.914 -0.059 0.000 2.638 171 V HA 0.381 4.502 4.120 0.001 0.000 0.306 171 V C -0.358 175.701 176.094 -0.058 0.000 1.052 171 V CA -0.882 61.380 62.300 -0.063 0.000 0.885 171 V CB 2.152 33.949 31.823 -0.044 0.000 0.999 171 V HN 0.723 nan 8.190 nan 0.000 0.424 172 V N 4.304 124.169 119.914 -0.083 0.000 2.385 172 V HA 0.365 4.486 4.120 0.001 0.000 0.269 172 V C 0.808 176.865 176.094 -0.060 0.000 1.043 172 V CA -0.233 62.011 62.300 -0.094 0.000 0.906 172 V CB 1.436 33.182 31.823 -0.130 0.000 0.995 172 V HN 1.060 nan 8.190 nan 0.000 0.467 173 T N 2.374 116.910 114.554 -0.030 0.000 2.849 173 T HA 0.302 4.652 4.350 0.001 0.000 0.284 173 T C 1.117 175.830 174.700 0.022 0.000 1.004 173 T CA -0.541 61.572 62.100 0.022 0.000 1.021 173 T CB 1.175 70.098 68.868 0.091 0.000 1.013 173 T HN 0.434 nan 8.240 nan 0.000 0.527 174 R N 0.490 121.016 120.500 0.043 0.000 2.139 174 R HA -0.135 4.206 4.340 0.001 0.000 0.243 174 R C 2.345 178.677 176.300 0.053 0.000 1.145 174 R CA 1.805 57.930 56.100 0.042 0.000 0.976 174 R CB -1.014 29.315 30.300 0.048 0.000 0.866 174 R HN 0.788 nan 8.270 nan 0.000 0.449 175 Q N -0.285 119.581 119.800 0.110 0.000 2.123 175 Q HA -0.023 4.318 4.340 0.001 0.000 0.199 175 Q C 1.650 177.779 176.000 0.214 0.000 0.966 175 Q CA 2.006 57.920 55.803 0.185 0.000 0.845 175 Q CB -0.304 28.606 28.738 0.287 0.000 0.907 175 Q HN 0.573 nan 8.270 nan 0.000 0.439 176 N N -1.296 117.435 118.700 0.053 0.000 2.043 176 N HA -0.184 4.557 4.740 0.001 0.000 0.193 176 N C 1.725 177.212 175.510 -0.037 0.000 1.037 176 N CA 1.492 54.398 53.050 -0.241 0.000 0.851 176 N CB -0.049 38.173 38.487 -0.443 0.000 1.027 176 N HN 0.239 nan 8.380 nan 0.000 0.422 177 M N 0.456 120.021 119.600 -0.058 0.000 2.080 177 M HA -0.187 4.294 4.480 0.001 0.000 0.260 177 M C 1.388 177.672 176.300 -0.027 0.000 1.068 177 M CA 1.529 56.795 55.300 -0.058 0.000 1.109 177 M CB -0.213 32.364 32.600 -0.039 0.000 1.342 177 M HN 0.175 nan 8.290 nan 0.000 0.405 178 D N 0.399 120.792 120.400 -0.011 0.000 2.084 178 D HA -0.155 4.486 4.640 0.001 0.000 0.194 178 D C 1.640 177.908 176.300 -0.055 0.000 0.990 178 D CA 1.301 55.282 54.000 -0.031 0.000 0.826 178 D CB -0.581 40.198 40.800 -0.036 0.000 0.971 178 D HN 0.272 nan 8.370 nan 0.000 0.453 179 D N -0.573 119.797 120.400 -0.049 0.000 2.149 179 D HA -0.132 4.508 4.640 0.001 0.000 0.198 179 D C 1.276 177.300 176.300 -0.460 0.000 0.990 179 D CA 0.795 54.667 54.000 -0.214 0.000 0.839 179 D CB -0.210 40.499 40.800 -0.152 0.000 0.948 179 D HN 0.270 nan 8.370 nan 0.000 0.460 180 F N -0.655 119.253 119.950 -0.070 0.000 2.653 180 F HA 0.317 4.845 4.527 0.001 0.000 0.304 180 F C 1.533 177.239 175.800 -0.157 0.000 1.092 180 F CA -0.107 57.823 58.000 -0.116 0.000 1.279 180 F CB 0.408 39.267 39.000 -0.234 0.000 1.044 180 F HN -0.100 nan 8.300 nan 0.000 0.564 181 G N 1.865 110.652 108.800 -0.021 0.000 2.356 181 G HA2 -0.316 3.645 3.960 0.001 0.000 0.296 181 G HA3 -0.316 3.645 3.960 0.001 0.000 0.296 181 G C 0.151 175.021 174.900 -0.050 0.000 1.022 181 G CA -0.184 44.900 45.100 -0.028 0.000 0.961 181 G HN 0.377 nan 8.290 nan 0.000 0.510 182 L N -0.366 120.794 121.223 -0.105 0.000 2.536 182 L HA 0.182 4.522 4.340 0.001 0.000 0.282 182 L C 1.438 178.275 176.870 -0.055 0.000 1.147 182 L CA -0.062 54.693 54.840 -0.143 0.000 0.936 182 L CB -0.156 41.760 42.059 -0.239 0.000 1.279 182 L HN 0.264 nan 8.230 nan 0.000 0.461 183 N N 1.519 120.208 118.700 -0.018 0.000 2.415 183 N HA -0.050 4.691 4.740 0.001 0.000 0.176 183 N C 0.236 175.765 175.510 0.033 0.000 1.042 183 N CA 0.228 53.287 53.050 0.016 0.000 0.902 183 N CB 0.262 38.765 38.487 0.027 0.000 0.986 183 N HN 0.683 nan 8.380 nan 0.000 0.447 184 N N -0.638 118.077 118.700 0.025 0.000 3.157 184 N HA 0.100 4.841 4.740 0.001 0.000 0.291 184 N C 0.235 175.754 175.510 0.015 0.000 1.515 184 N CA -0.722 52.353 53.050 0.041 0.000 0.807 184 N CB 0.469 38.983 38.487 0.046 0.000 1.672 184 N HN -0.180 nan 8.380 nan 0.000 0.592 185 I N 0.216 120.802 120.570 0.026 0.000 2.439 185 I HA -0.081 4.089 4.170 0.001 0.000 0.251 185 I C 0.827 176.916 176.117 -0.047 0.000 1.139 185 I CA 1.419 62.712 61.300 -0.011 0.000 1.438 185 I CB -0.412 37.614 38.000 0.043 0.000 1.085 185 I HN 0.436 nan 8.210 nan 0.000 0.427 186 D N 0.979 121.410 120.400 0.051 0.000 2.092 186 D HA -0.204 4.437 4.640 0.001 0.000 0.193 186 D C 1.777 178.074 176.300 -0.006 0.000 0.994 186 D CA 1.657 55.697 54.000 0.068 0.000 0.828 186 D CB -0.437 40.447 40.800 0.140 0.000 0.963 186 D HN 0.362 nan 8.370 nan 0.000 0.450 187 D N 0.151 120.551 120.400 0.000 0.000 2.116 187 D HA -0.123 4.517 4.640 0.001 0.000 0.193 187 D C 2.335 178.571 176.300 -0.106 0.000 0.998 187 D CA 0.559 54.541 54.000 -0.031 0.000 0.836 187 D CB -0.506 40.261 40.800 -0.056 0.000 0.951 187 D HN 0.060 nan 8.370 nan 0.000 0.449 188 V N 1.080 120.910 119.914 -0.140 0.000 2.252 188 V HA -0.290 3.831 4.120 0.001 0.000 0.249 188 V C 2.517 178.507 176.094 -0.174 0.000 1.056 188 V CA 1.481 63.677 62.300 -0.174 0.000 1.022 188 V CB -0.413 31.311 31.823 -0.164 0.000 0.641 188 V HN 0.224 nan 8.190 nan 0.000 0.445 189 M N -0.508 118.941 119.600 -0.250 0.000 2.108 189 M HA -0.179 4.301 4.480 0.001 0.000 0.261 189 M C 2.298 178.499 176.300 -0.165 0.000 1.066 189 M CA 1.727 56.825 55.300 -0.338 0.000 1.107 189 M CB -1.310 30.824 32.600 -0.777 0.000 1.356 189 M HN 0.315 nan 8.290 nan 0.000 0.406 190 R N -1.089 119.378 120.500 -0.054 0.000 2.152 190 R HA -0.162 4.179 4.340 0.001 0.000 0.232 190 R C 1.261 177.560 176.300 -0.001 0.000 1.117 190 R CA 1.077 57.195 56.100 0.030 0.000 0.981 190 R CB -0.369 30.007 30.300 0.128 0.000 0.870 190 R HN 0.484 nan 8.270 nan 0.000 0.451 191 H N -1.142 117.797 119.070 -0.219 0.000 2.529 191 H HA 0.161 4.717 4.556 0.001 0.000 0.277 191 H C -0.349 174.846 175.328 -0.222 0.000 1.004 191 H CA 0.201 56.032 56.048 -0.361 0.000 1.167 191 H CB 0.655 30.021 29.762 -0.661 0.000 1.445 191 H HN -0.092 nan 8.280 nan 0.000 0.554 192 T N 4.219 118.729 114.554 -0.073 0.000 2.743 192 T HA 0.188 4.538 4.350 0.001 0.000 0.293 192 T C -2.506 172.158 174.700 -0.061 0.000 0.945 192 T CA -1.625 60.424 62.100 -0.085 0.000 1.030 192 T CB 1.454 70.241 68.868 -0.135 0.000 0.912 192 T HN 0.086 nan 8.240 nan 0.000 0.483 193 P HA 0.251 nan 4.420 nan 0.000 0.267 193 P C 0.982 178.244 177.300 -0.063 0.000 1.205 193 P CA 0.381 63.462 63.100 -0.032 0.000 0.765 193 P CB 0.669 32.373 31.700 0.007 0.000 0.828 194 G N 2.600 111.345 108.800 -0.090 0.000 2.213 194 G HA2 -0.190 3.770 3.960 0.001 0.000 0.236 194 G HA3 -0.190 3.770 3.960 0.001 0.000 0.236 194 G C -0.007 174.827 174.900 -0.109 0.000 0.991 194 G CA -0.340 44.697 45.100 -0.105 0.000 0.629 194 G HN 0.504 nan 8.290 nan 0.000 0.517 195 I N 1.737 122.246 120.570 -0.101 0.000 2.441 195 I HA 0.479 4.650 4.170 0.001 0.000 0.295 195 I C -0.196 175.888 176.117 -0.055 0.000 0.994 195 I CA -0.600 60.654 61.300 -0.076 0.000 1.144 195 I CB 2.131 40.066 38.000 -0.109 0.000 1.314 195 I HN 0.001 nan 8.210 nan 0.000 0.445 196 T N 5.419 119.986 114.554 0.023 0.000 2.779 196 T HA 0.430 4.781 4.350 0.001 0.000 0.280 196 T C -0.301 174.498 174.700 0.165 0.000 0.987 196 T CA -0.449 61.687 62.100 0.060 0.000 0.966 196 T CB 1.726 70.629 68.868 0.058 0.000 0.933 196 T HN 0.171 nan 8.240 nan 0.000 0.442 197 V N 4.112 124.112 119.914 0.143 0.000 2.370 197 V HA 0.613 4.734 4.120 0.001 0.000 0.283 197 V C 0.310 176.519 176.094 0.191 0.000 1.023 197 V CA -0.692 61.728 62.300 0.200 0.000 0.857 197 V CB 1.135 33.082 31.823 0.207 0.000 0.985 197 V HN 1.072 nan 8.190 nan 0.000 0.443 198 S N 3.632 119.399 115.700 0.111 0.000 2.677 198 S HA 0.946 5.417 4.470 0.001 0.000 0.304 198 S C -0.306 174.241 174.600 -0.088 0.000 1.108 198 S CA -0.586 57.710 58.200 0.160 0.000 0.944 198 S CB 2.172 65.612 63.200 0.400 0.000 1.127 198 S HN 1.132 nan 8.310 nan 0.000 0.511 199 A N 0.287 123.060 122.820 -0.079 0.000 2.312 199 A HA 0.721 5.042 4.320 0.001 0.000 0.326 199 A C -0.480 176.882 177.584 -0.370 0.000 1.172 199 A CA -0.675 51.261 52.037 -0.168 0.000 0.821 199 A CB 0.171 19.159 19.000 -0.021 0.000 1.166 199 A HN 0.839 nan 8.150 nan 0.000 0.493 200 Y N 0.934 121.059 120.300 -0.292 0.000 2.266 200 Y HA 0.170 4.721 4.550 0.001 0.000 0.294 200 Y C 0.676 176.502 175.900 -0.123 0.000 1.127 200 Y CA 1.165 58.927 58.100 -0.563 0.000 1.140 200 Y CB 0.222 38.331 38.460 -0.586 0.000 1.071 200 Y HN 0.855 nan 8.280 nan 0.000 0.525 201 D N -4.321 116.191 120.400 0.186 0.000 2.779 201 D HA 0.093 4.734 4.640 0.001 0.000 0.331 201 D C 0.581 176.948 176.300 0.111 0.000 1.331 201 D CA 0.109 54.242 54.000 0.222 0.000 0.866 201 D CB 0.201 41.235 40.800 0.390 0.000 1.409 201 D HN -0.060 nan 8.370 nan 0.000 0.486 202 T N -3.365 111.227 114.554 0.063 0.000 2.977 202 T HA -0.046 4.304 4.350 0.001 0.000 0.271 202 T C 0.219 174.884 174.700 -0.057 0.000 1.105 202 T CA 1.197 63.217 62.100 -0.132 0.000 1.116 202 T CB -0.344 68.282 68.868 -0.403 0.000 0.878 202 T HN 0.463 nan 8.240 nan 0.000 0.509 203 D N 0.397 120.817 120.400 0.033 0.000 2.535 203 D HA 0.219 4.860 4.640 0.001 0.000 0.229 203 D C 0.062 176.150 176.300 -0.353 0.000 1.238 203 D CA -0.229 53.699 54.000 -0.120 0.000 0.824 203 D CB 0.772 41.498 40.800 -0.123 0.000 1.045 203 D HN 0.176 nan 8.370 nan 0.000 0.500 204 R N 0.973 121.373 120.500 -0.166 0.000 2.523 204 R HA 0.311 4.651 4.340 0.001 0.000 0.278 204 R C -1.326 174.945 176.300 -0.049 0.000 1.150 204 R CA -0.448 55.558 56.100 -0.157 0.000 0.987 204 R CB 1.597 31.847 30.300 -0.082 0.000 1.232 204 R HN -0.026 nan 8.270 nan 0.000 0.424 205 N N 0.684 119.298 118.700 -0.144 0.000 2.471 205 N HA 0.379 5.120 4.740 0.001 0.000 0.288 205 N C -0.908 174.294 175.510 -0.513 0.000 1.220 205 N CA -0.689 52.211 53.050 -0.250 0.000 0.893 205 N CB 1.162 39.609 38.487 -0.066 0.000 1.256 205 N HN 0.394 nan 8.380 nan 0.000 0.534 206 N N -0.311 118.002 118.700 -0.645 0.000 2.361 206 N HA 0.382 5.123 4.740 0.001 0.000 0.302 206 N C -1.897 173.302 175.510 -0.519 0.000 1.074 206 N CA -0.419 52.184 53.050 -0.744 0.000 0.850 206 N CB 0.589 38.475 38.487 -1.001 0.000 1.228 206 N HN 0.336 nan 8.380 nan 0.000 0.491 207 Y N 2.196 122.317 120.300 -0.299 0.000 2.326 207 Y HA 0.368 4.919 4.550 0.001 0.000 0.331 207 Y C -0.937 174.825 175.900 -0.230 0.000 0.962 207 Y CA -0.895 57.074 58.100 -0.218 0.000 1.167 207 Y CB 0.296 38.682 38.460 -0.122 0.000 1.148 207 Y HN 0.390 nan 8.280 nan 0.000 0.463 208 Y N 1.481 121.822 120.300 0.069 0.000 2.310 208 Y HA 0.692 5.242 4.550 0.001 0.000 0.326 208 Y C 0.217 176.097 175.900 -0.034 0.000 1.151 208 Y CA -1.040 57.059 58.100 -0.002 0.000 1.195 208 Y CB 1.496 39.922 38.460 -0.058 0.000 1.210 208 Y HN 0.662 nan 8.280 nan 0.000 0.483 209 A N 3.127 126.031 122.820 0.139 0.000 2.353 209 A HA 0.654 4.974 4.320 0.001 0.000 0.299 209 A C 0.010 177.618 177.584 0.040 0.000 1.089 209 A CA -1.107 50.944 52.037 0.023 0.000 0.736 209 A CB 0.565 19.538 19.000 -0.046 0.000 1.195 209 A HN 0.954 nan 8.150 nan 0.000 0.447 210 R N 1.536 122.015 120.500 -0.035 0.000 3.627 210 R HA -0.242 4.098 4.340 0.001 0.000 0.281 210 R C 1.033 177.316 176.300 -0.029 0.000 1.140 210 R CA 1.190 57.289 56.100 -0.002 0.000 0.761 210 R CB -2.017 28.238 30.300 -0.074 0.000 1.181 210 R HN 2.458 nan 8.270 nan 0.000 0.472 211 G N -1.639 107.057 108.800 -0.173 0.000 2.157 211 G HA2 -0.291 3.670 3.960 0.001 0.000 0.239 211 G HA3 -0.291 3.670 3.960 0.001 0.000 0.239 211 G C -0.133 174.366 174.900 -0.669 0.000 0.982 211 G CA 0.092 44.916 45.100 -0.460 0.000 0.650 211 G HN 0.271 nan 8.290 nan 0.000 0.527 212 F N 0.778 120.775 119.950 0.078 0.000 2.576 212 F HA 0.705 5.233 4.527 0.001 0.000 0.313 212 F C 0.634 176.513 175.800 0.132 0.000 1.078 212 F CA -0.910 57.147 58.000 0.094 0.000 0.921 212 F CB 2.124 41.127 39.000 0.005 0.000 1.232 212 F HN -0.031 nan 8.300 nan 0.000 0.459 213 S N 2.538 118.403 115.700 0.276 0.000 2.510 213 S HA 0.371 4.842 4.470 0.001 0.000 0.279 213 S C -0.046 174.576 174.600 0.037 0.000 1.284 213 S CA -0.376 57.856 58.200 0.055 0.000 1.059 213 S CB -0.070 63.145 63.200 0.024 0.000 0.901 213 S HN 0.331 nan 8.310 nan 0.000 0.491 214 I N 3.918 124.470 120.570 -0.030 0.000 2.396 214 I HA 0.153 4.324 4.170 0.001 0.000 0.289 214 I C 0.871 176.913 176.117 -0.126 0.000 1.056 214 I CA -0.036 61.203 61.300 -0.101 0.000 1.365 214 I CB 0.460 38.382 38.000 -0.131 0.000 1.407 214 I HN 0.508 nan 8.210 nan 0.000 0.509 215 N N 4.772 123.393 118.700 -0.132 0.000 2.365 215 N HA 0.136 4.877 4.740 0.001 0.000 0.257 215 N C -0.956 174.499 175.510 -0.092 0.000 1.287 215 N CA -0.145 52.877 53.050 -0.046 0.000 0.882 215 N CB 0.260 38.744 38.487 -0.005 0.000 1.250 215 N HN 0.416 nan 8.380 nan 0.000 0.507 216 N N 0.616 119.128 118.700 -0.314 0.000 2.518 216 N HA 0.263 5.004 4.740 0.001 0.000 0.254 216 N C -1.481 173.727 175.510 -0.505 0.000 0.979 216 N CA -0.114 52.756 53.050 -0.300 0.000 0.930 216 N CB 0.388 38.699 38.487 -0.293 0.000 1.152 216 N HN 0.043 nan 8.380 nan 0.000 0.505 217 F N 0.765 120.639 119.950 -0.126 0.000 2.467 217 F HA 0.392 4.919 4.527 0.001 0.000 0.336 217 F C 0.697 176.317 175.800 -0.300 0.000 1.123 217 F CA -0.644 57.218 58.000 -0.230 0.000 0.964 217 F CB 1.793 40.714 39.000 -0.132 0.000 1.136 217 F HN 0.059 nan 8.300 nan 0.000 0.447 218 Q N 2.396 121.994 119.800 -0.336 0.000 2.306 218 Q HA 0.496 4.836 4.340 0.001 0.000 0.265 218 Q C -1.744 173.880 176.000 -0.627 0.000 1.022 218 Q CA -1.044 54.573 55.803 -0.310 0.000 0.853 218 Q CB 2.691 31.292 28.738 -0.230 0.000 1.327 218 Q HN 0.572 nan 8.270 nan 0.000 0.449 219 Y N 0.849 121.141 120.300 -0.013 0.000 2.326 219 Y HA 0.163 4.713 4.550 0.001 0.000 0.329 219 Y C -0.345 175.526 175.900 -0.049 0.000 0.973 219 Y CA -0.821 57.268 58.100 -0.019 0.000 1.162 219 Y CB 1.421 39.894 38.460 0.020 0.000 1.147 219 Y HN 0.673 nan 8.280 nan 0.000 0.456 220 D N 2.786 123.213 120.400 0.044 0.000 2.911 220 D HA -0.193 4.448 4.640 0.001 0.000 0.227 220 D C 1.333 177.626 176.300 -0.011 0.000 1.164 220 D CA 2.055 56.056 54.000 0.002 0.000 0.782 220 D CB -1.011 39.755 40.800 -0.056 0.000 1.094 220 D HN 1.138 nan 8.370 nan 0.000 0.425 221 G N -1.172 107.598 108.800 -0.049 0.000 2.179 221 G HA2 -0.298 3.662 3.960 0.001 0.000 0.260 221 G HA3 -0.298 3.662 3.960 0.001 0.000 0.260 221 G C 0.228 175.096 174.900 -0.053 0.000 0.977 221 G CA 0.271 45.324 45.100 -0.078 0.000 0.641 221 G HN 0.449 nan 8.290 nan 0.000 0.533 222 I N 2.031 122.604 120.570 0.005 0.000 2.304 222 I HA 0.350 4.520 4.170 0.001 0.000 0.291 222 I C -2.130 174.026 176.117 0.065 0.000 1.018 222 I CA -3.115 58.215 61.300 0.050 0.000 1.260 222 I CB 1.065 39.122 38.000 0.095 0.000 1.390 222 I HN -0.135 nan 8.210 nan 0.000 0.475 223 P HA 0.182 nan 4.420 nan 0.000 0.280 223 P C -0.481 176.877 177.300 0.096 0.000 1.244 223 P CA -0.292 62.823 63.100 0.025 0.000 0.784 223 P CB 0.833 32.512 31.700 -0.035 0.000 0.913 224 S N 1.218 117.005 115.700 0.145 0.000 2.501 224 S HA 0.472 4.943 4.470 0.001 0.000 0.301 224 S C -0.218 174.457 174.600 0.126 0.000 1.096 224 S CA -0.553 57.752 58.200 0.175 0.000 1.063 224 S CB 0.297 63.666 63.200 0.281 0.000 1.042 224 S HN 0.268 nan 8.310 nan 0.000 0.494 225 T N 2.572 117.187 114.554 0.102 0.000 2.902 225 T HA 0.469 4.820 4.350 0.001 0.000 0.301 225 T C 0.677 175.396 174.700 0.031 0.000 1.012 225 T CA 0.269 62.392 62.100 0.039 0.000 1.151 225 T CB 0.679 69.574 68.868 0.044 0.000 0.946 225 T HN 1.181 nan 8.240 nan 0.000 0.542 226 A N 3.479 126.271 122.820 -0.047 0.000 2.709 226 A HA 0.305 4.626 4.320 0.001 0.000 0.241 226 A C 1.626 179.152 177.584 -0.096 0.000 0.879 226 A CA -0.513 51.516 52.037 -0.014 0.000 1.120 226 A CB 0.101 19.163 19.000 0.104 0.000 1.226 226 A HN 0.798 nan 8.150 nan 0.000 0.468 227 R N 0.851 121.179 120.500 -0.288 0.000 2.112 227 R HA -0.208 4.133 4.340 0.001 0.000 0.242 227 R C 0.572 176.827 176.300 -0.074 0.000 1.137 227 R CA 2.295 58.247 56.100 -0.245 0.000 0.944 227 R CB -0.181 29.838 30.300 -0.469 0.000 0.857 227 R HN 0.881 nan 8.270 nan 0.000 0.435 228 N N -3.509 115.186 118.700 -0.008 0.000 2.902 228 N HA 0.070 4.810 4.740 0.001 0.000 0.268 228 N C 0.523 175.989 175.510 -0.072 0.000 1.450 228 N CA -0.366 52.689 53.050 0.008 0.000 0.819 228 N CB 0.824 39.340 38.487 0.048 0.000 1.540 228 N HN -0.195 nan 8.380 nan 0.000 0.545 229 V N -3.258 116.583 119.914 -0.122 0.000 2.867 229 V HA 0.083 4.204 4.120 0.001 0.000 0.260 229 V C 1.826 177.699 176.094 -0.369 0.000 1.099 229 V CA 1.784 63.997 62.300 -0.145 0.000 1.122 229 V CB -1.560 30.264 31.823 0.002 0.000 0.708 229 V HN 0.811 nan 8.190 nan 0.000 0.490 230 G N -0.876 107.509 108.800 -0.692 0.000 2.422 230 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 230 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 230 G C 1.294 175.624 174.900 -0.950 0.000 1.140 230 G CA 0.936 45.302 45.100 -1.224 0.000 0.775 230 G HN 0.607 nan 8.290 nan 0.000 0.545 231 Y N -0.160 119.757 120.300 -0.638 0.000 2.490 231 Y HA 0.277 4.828 4.550 0.001 0.000 0.285 231 Y C 2.722 178.511 175.900 -0.185 0.000 1.117 231 Y CA 0.818 58.737 58.100 -0.301 0.000 1.262 231 Y CB 0.477 38.831 38.460 -0.177 0.000 1.043 231 Y HN 0.212 nan 8.280 nan 0.000 0.553 232 S N -0.292 115.375 115.700 -0.054 0.000 2.539 232 S HA 0.412 4.883 4.470 0.001 0.000 0.221 232 S C 0.750 175.262 174.600 -0.145 0.000 0.987 232 S CA -0.211 57.948 58.200 -0.069 0.000 0.929 232 S CB -0.473 62.699 63.200 -0.047 0.000 0.832 232 S HN 0.267 nan 8.310 nan 0.000 0.492 233 A N 0.547 123.286 122.820 -0.135 0.000 2.598 233 A HA 0.396 4.716 4.320 0.001 0.000 0.239 233 A C 1.623 179.091 177.584 -0.194 0.000 1.032 233 A CA 0.870 52.825 52.037 -0.135 0.000 0.760 233 A CB -0.891 18.093 19.000 -0.027 0.000 0.946 233 A HN 1.240 nan 8.150 nan 0.000 0.512 234 G N 2.410 111.058 108.800 -0.254 0.000 2.245 234 G HA2 -0.333 3.628 3.960 0.001 0.000 0.264 234 G HA3 -0.333 3.628 3.960 0.001 0.000 0.264 234 G C 0.884 175.632 174.900 -0.253 0.000 0.985 234 G CA 0.793 45.753 45.100 -0.233 0.000 0.625 234 G HN 0.792 nan 8.290 nan 0.000 0.536 235 N N 0.113 118.611 118.700 -0.336 0.000 2.430 235 N HA -0.042 4.699 4.740 0.001 0.000 0.186 235 N C 2.057 177.198 175.510 -0.614 0.000 1.032 235 N CA 1.867 54.570 53.050 -0.577 0.000 0.893 235 N CB -0.192 37.777 38.487 -0.864 0.000 0.957 235 N HN 0.650 nan 8.380 nan 0.000 0.442 236 T N -1.598 112.753 114.554 -0.339 0.000 3.040 236 T HA 0.248 4.599 4.350 0.001 0.000 0.250 236 T C 1.156 175.832 174.700 -0.040 0.000 1.058 236 T CA 0.002 62.014 62.100 -0.147 0.000 0.988 236 T CB 0.220 68.955 68.868 -0.222 0.000 0.993 236 T HN 0.065 nan 8.240 nan 0.000 0.519 237 L N 0.990 122.157 121.223 -0.094 0.000 2.966 237 L HA 0.400 4.741 4.340 0.001 0.000 0.262 237 L C 0.485 177.350 176.870 -0.008 0.000 1.165 237 L CA -0.346 54.464 54.840 -0.051 0.000 0.978 237 L CB 0.497 42.497 42.059 -0.099 0.000 1.337 237 L HN 0.053 nan 8.230 nan 0.000 0.563 238 S N 1.471 117.178 115.700 0.012 0.000 2.702 238 S HA -0.109 4.362 4.470 0.001 0.000 0.314 238 S C 0.116 174.796 174.600 0.133 0.000 1.244 238 S CA 0.353 58.614 58.200 0.102 0.000 1.058 238 S CB 0.235 63.547 63.200 0.185 0.000 0.783 238 S HN 0.198 nan 8.310 nan 0.000 0.503 239 D N 2.096 122.572 120.400 0.127 0.000 2.308 239 D HA 0.090 4.731 4.640 0.001 0.000 0.251 239 D C 0.757 177.162 176.300 0.175 0.000 1.127 239 D CA -0.529 53.530 54.000 0.098 0.000 0.876 239 D CB 0.633 41.450 40.800 0.030 0.000 1.176 239 D HN 0.283 nan 8.370 nan 0.000 0.446 240 M N 3.116 122.808 119.600 0.154 0.000 2.632 240 M HA -0.043 4.438 4.480 0.001 0.000 0.256 240 M C 1.870 178.247 176.300 0.128 0.000 1.080 240 M CA 0.374 55.800 55.300 0.210 0.000 1.084 240 M CB -1.321 31.345 32.600 0.109 0.000 1.439 240 M HN 0.545 nan 8.290 nan 0.000 0.509 241 A N 0.893 123.742 122.820 0.049 0.000 1.978 241 A HA -0.142 4.179 4.320 0.001 0.000 0.220 241 A C 1.942 179.501 177.584 -0.042 0.000 1.170 241 A CA 1.527 53.579 52.037 0.026 0.000 0.636 241 A CB -0.853 18.162 19.000 0.025 0.000 0.810 241 A HN 0.659 nan 8.150 nan 0.000 0.448 242 I N -5.119 115.299 120.570 -0.254 0.000 3.883 242 I HA 0.308 4.478 4.170 0.001 0.000 0.326 242 I C -0.385 175.398 176.117 -0.556 0.000 1.283 242 I CA -0.526 60.489 61.300 -0.474 0.000 1.161 242 I CB 0.034 37.533 38.000 -0.835 0.000 1.012 242 I HN 0.109 nan 8.210 nan 0.000 0.421 243 Y N 0.827 121.105 120.300 -0.036 0.000 2.429 243 Y HA 0.341 4.892 4.550 0.001 0.000 0.342 243 Y C 0.886 176.792 175.900 0.010 0.000 1.004 243 Y CA -0.994 57.093 58.100 -0.022 0.000 1.075 243 Y CB 1.512 39.959 38.460 -0.022 0.000 1.214 243 Y HN -0.086 nan 8.280 nan 0.000 0.455 244 D N 1.161 121.672 120.400 0.185 0.000 2.120 244 D HA 0.000 4.641 4.640 0.001 0.000 0.202 244 D C 0.145 176.496 176.300 0.085 0.000 0.972 244 D CA 0.984 55.053 54.000 0.114 0.000 0.837 244 D CB 0.451 41.309 40.800 0.096 0.000 0.989 244 D HN 0.631 nan 8.370 nan 0.000 0.469 245 R N -1.485 119.056 120.500 0.069 0.000 2.716 245 R HA 0.546 4.887 4.340 0.001 0.000 0.271 245 R C -1.983 174.285 176.300 -0.053 0.000 1.028 245 R CA -0.967 55.137 56.100 0.007 0.000 0.883 245 R CB 1.278 31.579 30.300 0.000 0.000 1.250 245 R HN -0.126 nan 8.270 nan 0.000 0.465 246 V N 1.567 121.422 119.914 -0.098 0.000 2.384 246 V HA 0.336 4.457 4.120 0.001 0.000 0.287 246 V C -0.425 175.584 176.094 -0.142 0.000 1.020 246 V CA -0.707 61.496 62.300 -0.160 0.000 0.850 246 V CB 1.474 33.182 31.823 -0.192 0.000 0.987 246 V HN 0.732 nan 8.190 nan 0.000 0.436 247 E N 3.661 123.767 120.200 -0.156 0.000 2.156 247 E HA 0.553 4.904 4.350 0.001 0.000 0.279 247 E C -1.220 175.272 176.600 -0.179 0.000 0.965 247 E CA -0.634 55.679 56.400 -0.145 0.000 0.789 247 E CB 2.407 32.029 29.700 -0.131 0.000 1.098 247 E HN 0.415 nan 8.360 nan 0.000 0.397 248 V N 4.472 124.285 119.914 -0.168 0.000 2.313 248 V HA 0.154 4.274 4.120 0.001 0.000 0.278 248 V C -0.658 175.333 176.094 -0.172 0.000 1.017 248 V CA -0.751 61.437 62.300 -0.188 0.000 0.823 248 V CB 0.971 32.682 31.823 -0.186 0.000 1.010 248 V HN 0.516 nan 8.190 nan 0.000 0.443 249 L N 6.925 128.036 121.223 -0.186 0.000 2.265 249 L HA 0.492 4.832 4.340 0.001 0.000 0.288 249 L C 0.088 176.846 176.870 -0.187 0.000 1.058 249 L CA 0.199 54.933 54.840 -0.176 0.000 0.809 249 L CB 0.638 42.589 42.059 -0.181 0.000 1.179 249 L HN 0.484 nan 8.230 nan 0.000 0.429 250 K N 4.476 124.767 120.400 -0.181 0.000 2.159 250 K HA 0.793 5.113 4.320 0.001 0.000 0.266 250 K C 0.142 176.607 176.600 -0.225 0.000 0.975 250 K CA -0.099 56.062 56.287 -0.211 0.000 0.865 250 K CB 1.654 34.014 32.500 -0.233 0.000 1.087 250 K HN 0.903 nan 8.250 nan 0.000 0.446 251 G N 1.391 110.049 108.800 -0.236 0.000 2.253 251 G HA2 0.016 3.977 3.960 0.001 0.000 0.190 251 G HA3 0.016 3.977 3.960 0.001 0.000 0.190 251 G C -1.536 173.229 174.900 -0.225 0.000 1.274 251 G CA -0.327 44.636 45.100 -0.228 0.000 1.275 251 G HN 0.685 nan 8.290 nan 0.000 0.518 252 A N 0.589 123.270 122.820 -0.232 0.000 2.256 252 A HA 0.729 5.049 4.320 0.001 0.000 0.317 252 A C 0.757 178.210 177.584 -0.218 0.000 1.318 252 A CA 0.964 52.849 52.037 -0.253 0.000 0.894 252 A CB 0.554 19.380 19.000 -0.289 0.000 1.165 252 A HN 2.098 nan 8.150 nan 0.000 0.525 253 T N -0.221 114.200 114.554 -0.222 0.000 3.269 253 T HA 0.278 4.628 4.350 0.001 0.000 0.269 253 T C 1.284 175.850 174.700 -0.222 0.000 0.993 253 T CA 0.545 62.523 62.100 -0.203 0.000 0.909 253 T CB 0.198 68.935 68.868 -0.217 0.000 1.115 253 T HN 0.696 nan 8.240 nan 0.000 0.543 254 G N 1.714 110.380 108.800 -0.223 0.000 2.448 254 G HA2 -0.113 3.848 3.960 0.001 0.000 0.219 254 G HA3 -0.113 3.848 3.960 0.001 0.000 0.219 254 G C 1.226 175.988 174.900 -0.229 0.000 1.127 254 G CA 0.872 45.828 45.100 -0.240 0.000 0.766 254 G HN 0.523 nan 8.290 nan 0.000 0.552 255 L N 0.160 121.258 121.223 -0.208 0.000 1.990 255 L HA -0.024 4.317 4.340 0.001 0.000 0.213 255 L C 2.485 179.122 176.870 -0.388 0.000 1.072 255 L CA 1.787 56.469 54.840 -0.264 0.000 0.755 255 L CB -0.288 41.571 42.059 -0.333 0.000 0.889 255 L HN 0.223 nan 8.230 nan 0.000 0.432 256 L N -2.300 118.675 121.223 -0.412 0.000 2.463 256 L HA 0.036 4.376 4.340 0.001 0.000 0.219 256 L C 1.984 178.651 176.870 -0.338 0.000 1.088 256 L CA 0.592 55.135 54.840 -0.494 0.000 0.849 256 L CB -0.367 41.404 42.059 -0.480 0.000 1.012 256 L HN 0.179 nan 8.230 nan 0.000 0.468 257 T N -0.373 114.016 114.554 -0.275 0.000 3.043 257 T HA 0.173 4.523 4.350 0.001 0.000 0.263 257 T C 1.231 175.808 174.700 -0.205 0.000 1.094 257 T CA 0.831 62.797 62.100 -0.224 0.000 1.127 257 T CB 0.087 68.814 68.868 -0.234 0.000 0.905 257 T HN 0.580 nan 8.240 nan 0.000 0.490 258 G N 1.518 110.182 108.800 -0.227 0.000 2.547 258 G HA2 -0.097 3.864 3.960 0.001 0.000 0.271 258 G HA3 -0.097 3.864 3.960 0.001 0.000 0.271 258 G C 0.295 174.953 174.900 -0.403 0.000 1.209 258 G CA -0.332 44.625 45.100 -0.238 0.000 0.959 258 G HN 0.886 nan 8.290 nan 0.000 0.563 259 A N -0.072 122.460 122.820 -0.480 0.000 2.507 259 A HA 0.711 5.032 4.320 0.001 0.000 0.235 259 A C 1.301 178.620 177.584 -0.441 0.000 1.070 259 A CA 1.964 53.582 52.037 -0.699 0.000 0.768 259 A CB -0.033 18.543 19.000 -0.707 0.000 1.011 259 A HN 2.829 nan 8.150 nan 0.000 0.502 260 G N -0.514 108.022 108.800 -0.440 0.000 2.337 260 G HA2 0.544 4.504 3.960 0.001 0.000 0.298 260 G HA3 0.544 4.504 3.960 0.001 0.000 0.298 260 G C -0.319 174.410 174.900 -0.284 0.000 1.335 260 G CA -0.002 44.919 45.100 -0.298 0.000 0.875 260 G HN 1.837 nan 8.290 nan 0.000 0.579 261 S N -1.125 114.436 115.700 -0.231 0.000 2.655 261 S HA 0.782 5.253 4.470 0.001 0.000 0.265 261 S C 0.578 174.998 174.600 -0.301 0.000 1.240 261 S CA -0.558 57.506 58.200 -0.227 0.000 0.986 261 S CB 1.085 64.199 63.200 -0.142 0.000 0.985 261 S HN 0.748 nan 8.310 nan 0.000 0.562 262 L N 0.536 121.499 121.223 -0.433 0.000 2.490 262 L HA 0.601 4.942 4.340 0.001 0.000 0.245 262 L C 1.753 178.421 176.870 -0.338 0.000 1.185 262 L CA 0.729 55.227 54.840 -0.570 0.000 0.813 262 L CB 0.098 41.423 42.059 -1.223 0.000 1.233 262 L HN 1.125 nan 8.230 nan 0.000 0.489 263 G N 0.011 108.671 108.800 -0.232 0.000 3.922 263 G HA2 -0.088 3.872 3.960 0.001 0.000 0.208 263 G HA3 -0.088 3.872 3.960 0.001 0.000 0.208 263 G C -0.106 174.709 174.900 -0.142 0.000 1.491 263 G CA 0.249 45.320 45.100 -0.050 0.000 1.017 263 G HN 1.235 nan 8.290 nan 0.000 0.603 264 A N -1.637 121.081 122.820 -0.170 0.000 2.601 264 A HA 0.813 5.133 4.320 0.001 0.000 0.291 264 A C -0.673 176.761 177.584 -0.250 0.000 1.075 264 A CA 0.890 52.804 52.037 -0.204 0.000 0.671 264 A CB 1.222 20.108 19.000 -0.189 0.000 1.277 264 A HN 1.167 nan 8.150 nan 0.000 0.417 265 T N 0.964 115.361 114.554 -0.261 0.000 2.829 265 T HA 0.622 4.973 4.350 0.001 0.000 0.280 265 T C -0.765 173.743 174.700 -0.321 0.000 0.999 265 T CA -0.066 61.853 62.100 -0.302 0.000 0.983 265 T CB 0.537 69.246 68.868 -0.265 0.000 0.968 265 T HN 0.419 nan 8.240 nan 0.000 0.446 266 I N 4.143 124.467 120.570 -0.411 0.000 2.354 266 I HA 0.373 4.543 4.170 0.001 0.000 0.286 266 I C -0.141 175.760 176.117 -0.359 0.000 1.007 266 I CA -0.735 60.333 61.300 -0.387 0.000 1.167 266 I CB 1.121 38.836 38.000 -0.475 0.000 1.320 266 I HN 0.376 nan 8.210 nan 0.000 0.458 267 N N 7.151 125.668 118.700 -0.305 0.000 2.417 267 N HA 0.528 5.269 4.740 0.001 0.000 0.274 267 N C -1.444 173.885 175.510 -0.301 0.000 0.987 267 N CA -0.413 52.457 53.050 -0.300 0.000 0.912 267 N CB 1.229 39.582 38.487 -0.224 0.000 1.177 267 N HN 0.340 nan 8.380 nan 0.000 0.490 268 L N 4.360 125.352 121.223 -0.385 0.000 2.287 268 L HA 0.501 4.841 4.340 0.001 0.000 0.287 268 L C -0.177 176.608 176.870 -0.142 0.000 1.022 268 L CA -0.445 54.150 54.840 -0.409 0.000 0.814 268 L CB 1.208 42.773 42.059 -0.822 0.000 1.217 268 L HN 0.424 nan 8.230 nan 0.000 0.420 269 I N 3.430 123.987 120.570 -0.021 0.000 2.315 269 I HA 0.343 4.513 4.170 0.001 0.000 0.291 269 I C 0.594 176.869 176.117 0.263 0.000 1.006 269 I CA -0.434 60.924 61.300 0.097 0.000 1.265 269 I CB 1.050 39.079 38.000 0.049 0.000 1.387 269 I HN 0.584 nan 8.210 nan 0.000 0.475 270 R N 4.665 125.308 120.500 0.239 0.000 2.490 270 R HA 0.220 4.560 4.340 0.001 0.000 0.280 270 R C 0.140 176.526 176.300 0.144 0.000 1.077 270 R CA -0.641 55.543 56.100 0.141 0.000 1.065 270 R CB 1.031 31.343 30.300 0.020 0.000 1.003 270 R HN 0.470 nan 8.270 nan 0.000 0.470 271 K N 2.467 122.939 120.400 0.119 0.000 2.469 271 K HA -0.033 4.288 4.320 0.001 0.000 0.274 271 K C 0.010 176.767 176.600 0.263 0.000 0.983 271 K CA 0.808 57.205 56.287 0.184 0.000 0.974 271 K CB 0.454 33.066 32.500 0.187 0.000 0.913 271 K HN 0.313 nan 8.250 nan 0.000 0.493 272 K N 2.363 122.868 120.400 0.176 0.000 2.340 272 K HA 0.387 4.708 4.320 0.001 0.000 0.244 272 K C -2.571 174.076 176.600 0.078 0.000 0.973 272 K CA -2.207 54.169 56.287 0.150 0.000 0.828 272 K CB 1.688 34.270 32.500 0.137 0.000 1.226 272 K HN 0.281 nan 8.250 nan 0.000 0.437 273 P HA -0.001 nan 4.420 nan 0.000 0.269 273 P C -0.763 176.532 177.300 -0.009 0.000 1.215 273 P CA -0.048 63.034 63.100 -0.030 0.000 0.780 273 P CB 0.487 32.137 31.700 -0.083 0.000 0.898 274 T N -2.529 112.009 114.554 -0.026 0.000 2.924 274 T HA 0.335 4.686 4.350 0.001 0.000 0.291 274 T C 0.897 175.599 174.700 0.004 0.000 1.045 274 T CA -0.561 61.561 62.100 0.036 0.000 1.015 274 T CB 0.979 69.871 68.868 0.039 0.000 1.103 274 T HN 0.358 nan 8.240 nan 0.000 0.496 275 H N 0.410 119.489 119.070 0.014 0.000 2.495 275 H HA 0.032 4.589 4.556 0.001 0.000 0.287 275 H C 0.953 176.303 175.328 0.038 0.000 1.033 275 H CA 0.922 56.981 56.048 0.019 0.000 1.307 275 H CB 0.510 30.285 29.762 0.022 0.000 1.401 275 H HN 0.698 nan 8.280 nan 0.000 0.555 276 E N 0.968 121.259 120.200 0.151 0.000 2.248 276 E HA 0.020 4.371 4.350 0.001 0.000 0.272 276 E C -0.807 175.870 176.600 0.128 0.000 1.008 276 E CA -1.026 55.458 56.400 0.140 0.000 0.856 276 E CB 1.120 30.898 29.700 0.130 0.000 1.120 276 E HN -0.008 nan 8.360 nan 0.000 0.397 277 F N 2.584 122.563 119.950 0.049 0.000 2.502 277 F HA 0.184 4.713 4.527 0.002 0.000 0.371 277 F C 0.184 176.024 175.800 0.066 0.000 1.083 277 F CA 0.080 58.110 58.000 0.049 0.000 1.174 277 F CB 0.303 39.333 39.000 0.051 0.000 1.096 277 F HN 0.486 nan 8.300 nan 0.000 0.545 278 K N 5.127 125.213 120.400 -0.523 0.000 2.508 278 K HA 0.918 5.239 4.320 0.001 0.000 0.260 278 K C -1.210 175.028 176.600 -0.604 0.000 0.949 278 K CA -0.949 55.091 56.287 -0.411 0.000 0.834 278 K CB 2.163 34.572 32.500 -0.152 0.000 1.365 278 K HN 0.780 nan 8.250 nan 0.000 0.437 279 G N 1.748 110.212 108.800 -0.560 0.000 2.576 279 G HA2 0.471 4.432 3.960 0.001 0.000 0.290 279 G HA3 0.471 4.432 3.960 0.001 0.000 0.290 279 G C -1.932 172.325 174.900 -1.072 0.000 1.442 279 G CA -0.734 43.932 45.100 -0.724 0.000 0.792 279 G HN 0.946 nan 8.290 nan 0.000 0.491 280 H N -2.077 116.455 119.070 -0.897 0.000 3.016 280 H HA 0.729 5.285 4.556 0.001 0.000 0.362 280 H C -1.939 173.153 175.328 -0.392 0.000 1.233 280 H CA -0.952 54.650 56.048 -0.743 0.000 1.124 280 H CB 1.723 31.271 29.762 -0.358 0.000 1.850 280 H HN 0.508 nan 8.280 nan 0.000 0.549 281 V N 1.744 121.604 119.914 -0.090 0.000 2.444 281 V HA 0.233 4.354 4.120 0.001 0.000 0.294 281 V C -0.147 176.098 176.094 0.252 0.000 1.022 281 V CA -0.537 61.836 62.300 0.122 0.000 0.850 281 V CB 1.442 33.434 31.823 0.282 0.000 0.992 281 V HN 0.841 nan 8.190 nan 0.000 0.426 282 E N 4.542 124.884 120.200 0.237 0.000 2.165 282 E HA 0.626 4.976 4.350 0.001 0.000 0.266 282 E C -1.507 175.202 176.600 0.181 0.000 0.889 282 E CA -0.468 56.062 56.400 0.217 0.000 0.756 282 E CB 1.480 31.307 29.700 0.211 0.000 1.131 282 E HN 0.635 nan 8.360 nan 0.000 0.411 283 L N 4.008 125.335 121.223 0.173 0.000 2.305 283 L HA 0.699 5.040 4.340 0.001 0.000 0.284 283 L C 0.234 177.193 176.870 0.148 0.000 1.013 283 L CA -0.772 54.164 54.840 0.160 0.000 0.819 283 L CB 1.826 43.979 42.059 0.157 0.000 1.227 283 L HN 0.657 nan 8.230 nan 0.000 0.417 284 G N 2.163 111.051 108.800 0.147 0.000 2.542 284 G HA2 0.781 4.742 3.960 0.001 0.000 0.311 284 G HA3 0.781 4.742 3.960 0.001 0.000 0.311 284 G C -1.513 173.479 174.900 0.154 0.000 1.298 284 G CA -0.451 44.731 45.100 0.136 0.000 0.973 284 G HN 0.691 nan 8.290 nan 0.000 0.487 285 A N 0.481 123.389 122.820 0.147 0.000 2.398 285 A HA 0.963 5.284 4.320 0.001 0.000 0.301 285 A C 0.030 177.651 177.584 0.061 0.000 1.041 285 A CA -0.054 52.034 52.037 0.085 0.000 0.711 285 A CB 1.813 20.894 19.000 0.136 0.000 1.240 285 A HN 1.712 nan 8.150 nan 0.000 0.420 286 G N 0.028 108.783 108.800 -0.074 0.000 2.680 286 G HA2 0.554 4.515 3.960 0.001 0.000 0.290 286 G HA3 0.554 4.515 3.960 0.001 0.000 0.290 286 G C -0.316 174.462 174.900 -0.204 0.000 1.355 286 G CA -0.477 44.578 45.100 -0.075 0.000 0.903 286 G HN 0.905 nan 8.290 nan 0.000 0.474 287 S N 0.747 116.250 115.700 -0.328 0.000 2.643 287 S HA 0.056 4.527 4.470 0.001 0.000 0.310 287 S C -0.041 174.238 174.600 -0.534 0.000 1.253 287 S CA 0.993 58.771 58.200 -0.702 0.000 1.047 287 S CB -0.271 62.132 63.200 -1.328 0.000 0.767 287 S HN 0.723 nan 8.310 nan 0.000 0.498 288 W N 2.065 123.371 121.300 0.010 0.000 5.324 288 W HA -0.170 4.491 4.660 0.001 0.000 0.404 288 W C -0.085 176.381 176.519 -0.088 0.000 1.566 288 W CA 0.181 57.539 57.345 0.021 0.000 0.927 288 W CB -2.937 26.593 29.460 0.117 0.000 2.757 288 W HN 0.964 nan 8.180 nan 0.000 1.382 289 D N -0.796 119.519 120.400 -0.142 0.000 2.701 289 D HA -0.229 4.412 4.640 0.001 0.000 0.235 289 D C 0.286 176.251 176.300 -0.560 0.000 1.155 289 D CA 1.368 55.091 54.000 -0.462 0.000 0.649 289 D CB -1.126 39.396 40.800 -0.463 0.000 1.050 289 D HN 0.327 nan 8.370 nan 0.000 0.425 290 N N 0.818 119.262 118.700 -0.428 0.000 2.482 290 N HA 0.091 4.832 4.740 0.001 0.000 0.242 290 N C -1.254 174.064 175.510 -0.321 0.000 1.100 290 N CA 0.011 52.917 53.050 -0.239 0.000 0.946 290 N CB 0.009 38.466 38.487 -0.050 0.000 1.227 290 N HN 0.073 nan 8.380 nan 0.000 0.508 291 Y N 1.767 122.067 120.300 0.000 0.000 2.341 291 Y HA 0.453 5.003 4.550 0.001 0.000 0.337 291 Y C 0.773 176.652 175.900 -0.035 0.000 1.014 291 Y CA -0.800 57.295 58.100 -0.007 0.000 1.111 291 Y CB 1.311 39.764 38.460 -0.012 0.000 1.194 291 Y HN 0.289 nan 8.280 nan 0.000 0.462 292 R N 1.726 122.324 120.500 0.163 0.000 2.604 292 R HA 0.727 5.068 4.340 0.001 0.000 0.281 292 R C -1.505 174.874 176.300 0.132 0.000 1.020 292 R CA -0.590 55.567 56.100 0.094 0.000 0.899 292 R CB 1.506 31.846 30.300 0.066 0.000 1.205 292 R HN 0.774 nan 8.270 nan 0.000 0.450 293 S N 2.135 117.918 115.700 0.138 0.000 2.538 293 S HA 0.493 4.963 4.470 0.001 0.000 0.288 293 S C -1.021 173.662 174.600 0.139 0.000 1.108 293 S CA -0.768 57.528 58.200 0.160 0.000 0.971 293 S CB 2.019 65.336 63.200 0.195 0.000 1.041 293 S HN 0.727 nan 8.310 nan 0.000 0.483 294 E N 1.625 121.901 120.200 0.127 0.000 2.308 294 E HA 0.604 4.955 4.350 0.001 0.000 0.275 294 E C -2.228 174.399 176.600 0.045 0.000 0.890 294 E CA -0.881 55.574 56.400 0.091 0.000 0.754 294 E CB 1.823 31.586 29.700 0.105 0.000 1.207 294 E HN 0.625 nan 8.360 nan 0.000 0.426 295 L N 3.700 124.919 121.223 -0.008 0.000 2.410 295 L HA 0.568 4.908 4.340 0.001 0.000 0.270 295 L C -1.882 174.895 176.870 -0.156 0.000 0.983 295 L CA -0.293 54.507 54.840 -0.067 0.000 0.822 295 L CB 1.957 44.038 42.059 0.037 0.000 1.285 295 L HN 0.521 nan 8.230 nan 0.000 0.409 296 D N 4.024 124.220 120.400 -0.340 0.000 2.386 296 D HA 0.429 5.070 4.640 0.001 0.000 0.247 296 D C -1.631 174.494 176.300 -0.292 0.000 1.336 296 D CA -0.059 53.737 54.000 -0.341 0.000 0.976 296 D CB 1.526 41.985 40.800 -0.568 0.000 1.257 296 D HN 0.271 nan 8.370 nan 0.000 0.570 297 V N 1.934 121.760 119.914 -0.148 0.000 2.483 297 V HA 0.773 4.894 4.120 0.001 0.000 0.295 297 V C 0.218 176.202 176.094 -0.183 0.000 1.035 297 V CA -0.688 61.527 62.300 -0.143 0.000 0.896 297 V CB 1.589 33.413 31.823 0.002 0.000 0.986 297 V HN 0.513 nan 8.190 nan 0.000 0.447 298 S N 1.946 117.466 115.700 -0.300 0.000 2.540 298 S HA 0.945 5.416 4.470 0.001 0.000 0.275 298 S C -0.287 174.175 174.600 -0.229 0.000 1.123 298 S CA 0.320 58.392 58.200 -0.213 0.000 0.907 298 S CB 1.781 64.886 63.200 -0.158 0.000 1.081 298 S HN 1.593 nan 8.310 nan 0.000 0.476 299 G N 2.932 111.679 108.800 -0.088 0.000 2.315 299 G HA2 0.393 4.354 3.960 0.001 0.000 0.294 299 G HA3 0.393 4.354 3.960 0.001 0.000 0.294 299 G C -3.565 171.326 174.900 -0.014 0.000 1.300 299 G CA -0.685 44.422 45.100 0.011 0.000 0.843 299 G HN 0.537 nan 8.290 nan 0.000 0.527 300 P HA 0.338 nan 4.420 nan 0.000 0.271 300 P C 0.424 177.696 177.300 -0.047 0.000 1.218 300 P CA -0.198 62.866 63.100 -0.059 0.000 0.780 300 P CB 1.517 33.192 31.700 -0.042 0.000 0.901 301 L N 0.748 121.914 121.223 -0.095 0.000 2.467 301 L HA 0.104 4.445 4.340 0.001 0.000 0.213 301 L C 1.406 178.226 176.870 -0.084 0.000 1.053 301 L CA 0.609 55.398 54.840 -0.085 0.000 0.847 301 L CB -0.553 41.435 42.059 -0.119 0.000 1.075 301 L HN 0.398 nan 8.230 nan 0.000 0.479 302 T N -2.292 112.203 114.554 -0.098 0.000 2.882 302 T HA 0.074 4.425 4.350 0.001 0.000 0.287 302 T C 0.964 175.583 174.700 -0.134 0.000 1.014 302 T CA -0.646 61.395 62.100 -0.098 0.000 1.049 302 T CB 1.226 70.046 68.868 -0.080 0.000 1.001 302 T HN 0.204 nan 8.240 nan 0.000 0.525 303 E N 0.907 120.993 120.200 -0.190 0.000 2.427 303 E HA -0.085 4.266 4.350 0.001 0.000 0.196 303 E C 1.774 178.137 176.600 -0.394 0.000 1.028 303 E CA 0.920 57.125 56.400 -0.325 0.000 0.864 303 E CB -0.468 28.957 29.700 -0.458 0.000 0.813 303 E HN 0.719 nan 8.360 nan 0.000 0.514 304 S N 0.171 115.722 115.700 -0.249 0.000 2.446 304 S HA 0.215 4.686 4.470 0.001 0.000 0.225 304 S C 1.778 176.331 174.600 -0.078 0.000 1.016 304 S CA 0.734 58.842 58.200 -0.153 0.000 0.943 304 S CB -0.105 63.046 63.200 -0.081 0.000 0.786 304 S HN 0.494 nan 8.310 nan 0.000 0.508 305 G N 2.700 111.446 108.800 -0.091 0.000 2.176 305 G HA2 -0.321 3.640 3.960 0.001 0.000 0.232 305 G HA3 -0.321 3.640 3.960 0.001 0.000 0.232 305 G C 0.727 175.564 174.900 -0.104 0.000 0.986 305 G CA 0.347 45.395 45.100 -0.087 0.000 0.643 305 G HN 0.678 nan 8.290 nan 0.000 0.522 306 N N 0.251 118.915 118.700 -0.060 0.000 2.443 306 N HA 0.040 4.780 4.740 0.001 0.000 0.184 306 N C 0.536 176.006 175.510 -0.066 0.000 1.037 306 N CA 1.555 54.586 53.050 -0.032 0.000 0.896 306 N CB 0.001 38.494 38.487 0.009 0.000 0.959 306 N HN 0.579 nan 8.380 nan 0.000 0.442 307 V N 0.925 120.760 119.914 -0.131 0.000 2.407 307 V HA 0.416 4.537 4.120 0.001 0.000 0.291 307 V C -0.046 175.882 176.094 -0.275 0.000 1.018 307 V CA -0.792 61.353 62.300 -0.259 0.000 0.842 307 V CB 1.426 33.084 31.823 -0.274 0.000 0.996 307 V HN 0.072 nan 8.190 nan 0.000 0.426 308 R N 2.125 122.436 120.500 -0.315 0.000 2.832 308 R HA 0.883 5.223 4.340 0.001 0.000 0.271 308 R C -0.042 176.104 176.300 -0.257 0.000 0.996 308 R CA -0.562 55.382 56.100 -0.260 0.000 0.977 308 R CB 2.383 32.519 30.300 -0.273 0.000 1.168 308 R HN 0.903 nan 8.270 nan 0.000 0.482 309 G N 0.748 109.435 108.800 -0.189 0.000 2.733 309 G HA2 0.545 4.506 3.960 0.001 0.000 0.297 309 G HA3 0.545 4.506 3.960 0.001 0.000 0.297 309 G C -1.719 173.095 174.900 -0.143 0.000 1.422 309 G CA -0.585 44.408 45.100 -0.179 0.000 0.942 309 G HN 0.422 nan 8.290 nan 0.000 0.510 310 R N 0.246 120.645 120.500 -0.168 0.000 2.621 310 R HA 0.756 5.096 4.340 0.001 0.000 0.284 310 R C -0.911 175.257 176.300 -0.220 0.000 0.998 310 R CA -0.521 55.482 56.100 -0.162 0.000 0.895 310 R CB 2.043 32.273 30.300 -0.117 0.000 1.195 310 R HN 0.933 nan 8.270 nan 0.000 0.450 311 A N 2.962 125.696 122.820 -0.143 0.000 2.414 311 A HA 0.733 5.053 4.320 0.001 0.000 0.306 311 A C -1.485 176.081 177.584 -0.029 0.000 1.054 311 A CA -0.614 51.357 52.037 -0.109 0.000 0.724 311 A CB 2.053 21.015 19.000 -0.064 0.000 1.267 311 A HN 0.401 nan 8.150 nan 0.000 0.418 312 V N 0.785 120.732 119.914 0.055 0.000 2.686 312 V HA 0.770 4.890 4.120 0.001 0.000 0.306 312 V C 0.031 176.208 176.094 0.138 0.000 1.065 312 V CA -0.188 62.166 62.300 0.091 0.000 0.894 312 V CB 1.615 33.532 31.823 0.156 0.000 1.004 312 V HN 1.508 nan 8.190 nan 0.000 0.424 313 A N 3.406 126.286 122.820 0.100 0.000 2.365 313 A HA 1.043 5.364 4.320 0.001 0.000 0.318 313 A C -0.403 177.202 177.584 0.035 0.000 1.091 313 A CA -0.215 51.880 52.037 0.096 0.000 0.763 313 A CB 1.895 21.010 19.000 0.192 0.000 1.248 313 A HN 1.693 nan 8.150 nan 0.000 0.442 314 A N 0.848 123.654 122.820 -0.024 0.000 2.486 314 A HA 0.697 5.018 4.320 0.001 0.000 0.300 314 A C -1.783 175.843 177.584 0.071 0.000 1.048 314 A CA -0.373 51.683 52.037 0.032 0.000 0.696 314 A CB 1.174 20.186 19.000 0.020 0.000 1.278 314 A HN 1.590 nan 8.150 nan 0.000 0.405 315 Y N 0.975 121.262 120.300 -0.021 0.000 2.406 315 Y HA 0.674 5.224 4.550 0.001 0.000 0.340 315 Y C -0.493 175.432 175.900 0.042 0.000 0.975 315 Y CA -0.620 57.476 58.100 -0.007 0.000 1.056 315 Y CB 2.052 40.521 38.460 0.015 0.000 1.210 315 Y HN 0.804 nan 8.280 nan 0.000 0.448 316 Q N 4.464 123.990 119.800 -0.456 0.000 2.323 316 Q HA 0.383 4.724 4.340 0.001 0.000 0.271 316 Q C -2.256 173.433 176.000 -0.518 0.000 1.048 316 Q CA -0.715 54.866 55.803 -0.370 0.000 0.792 316 Q CB 1.686 30.351 28.738 -0.121 0.000 1.280 316 Q HN 0.706 nan 8.270 nan 0.000 0.441 317 D N 3.298 123.497 120.400 -0.336 0.000 2.549 317 D HA 0.328 4.969 4.640 0.001 0.000 0.251 317 D C -1.600 174.728 176.300 0.046 0.000 1.153 317 D CA -0.269 53.644 54.000 -0.145 0.000 0.861 317 D CB 1.103 41.854 40.800 -0.082 0.000 1.207 317 D HN 0.638 nan 8.370 nan 0.000 0.543 318 K N 1.913 122.366 120.400 0.088 0.000 2.469 318 K HA 0.501 4.822 4.320 0.001 0.000 0.254 318 K C -0.753 176.030 176.600 0.306 0.000 0.939 318 K CA -0.675 55.702 56.287 0.150 0.000 0.812 318 K CB 1.905 34.488 32.500 0.138 0.000 1.301 318 K HN 0.172 nan 8.250 nan 0.000 0.433 319 H N 0.351 119.487 119.070 0.109 0.000 2.683 319 H HA 0.535 5.091 4.556 0.001 0.000 0.276 319 H C 0.082 175.532 175.328 0.204 0.000 1.564 319 H CA -0.337 55.786 56.048 0.124 0.000 1.590 319 H CB 1.115 30.954 29.762 0.128 0.000 1.692 319 H HN 0.862 nan 8.280 nan 0.000 0.871 320 S N -0.910 114.941 115.700 0.251 0.000 2.688 320 S HA 0.187 4.658 4.470 0.001 0.000 0.275 320 S C 0.470 174.742 174.600 -0.547 0.000 1.175 320 S CA -0.367 57.812 58.200 -0.036 0.000 0.818 320 S CB -0.068 62.998 63.200 -0.224 0.000 1.157 320 S HN 0.486 nan 8.310 nan 0.000 0.482 321 F N 0.595 119.751 119.950 -1.323 0.000 2.333 321 F HA 0.378 4.906 4.527 0.001 0.000 0.300 321 F C 0.832 176.286 175.800 -0.577 0.000 1.083 321 F CA -0.085 57.055 58.000 -1.434 0.000 1.395 321 F CB -0.695 37.384 39.000 -1.536 0.000 1.056 321 F HN 0.306 nan 8.300 nan 0.000 0.529 322 M N 1.690 120.592 119.600 -1.164 0.000 2.235 322 M HA 0.104 4.584 4.480 0.001 0.000 0.351 322 M C -0.170 175.868 176.300 -0.436 0.000 1.178 322 M CA -0.335 54.529 55.300 -0.726 0.000 1.143 322 M CB 0.520 32.627 32.600 -0.820 0.000 1.530 322 M HN -0.001 nan 8.290 nan 0.000 0.461 323 D N 2.167 122.350 120.400 -0.362 0.000 2.443 323 D HA -0.071 4.569 4.640 0.001 0.000 0.239 323 D C 0.742 176.669 176.300 -0.623 0.000 1.136 323 D CA 0.790 54.611 54.000 -0.298 0.000 0.879 323 D CB 0.457 41.175 40.800 -0.136 0.000 1.195 323 D HN 0.799 nan 8.370 nan 0.000 0.443 324 H N 1.162 120.127 119.070 -0.174 0.000 2.684 324 H HA -0.315 4.241 4.556 0.001 0.000 0.309 324 H C -1.302 173.933 175.328 -0.156 0.000 1.102 324 H CA 0.598 56.525 56.048 -0.202 0.000 1.147 324 H CB -2.661 26.952 29.762 -0.249 0.000 1.391 324 H HN 0.453 nan 8.280 nan 0.000 0.398 325 Y N 1.594 121.655 120.300 -0.397 0.000 2.335 325 Y HA 0.459 5.009 4.550 0.001 0.000 0.338 325 Y C 0.088 175.835 175.900 -0.254 0.000 0.977 325 Y CA -0.374 57.551 58.100 -0.292 0.000 1.114 325 Y CB 1.221 39.492 38.460 -0.315 0.000 1.182 325 Y HN 0.552 nan 8.280 nan 0.000 0.463 326 E N 5.370 125.101 120.200 -0.781 0.000 2.416 326 E HA 0.644 4.995 4.350 0.001 0.000 0.273 326 E C -1.729 174.505 176.600 -0.610 0.000 0.935 326 E CA -1.428 54.661 56.400 -0.518 0.000 0.784 326 E CB 2.453 31.958 29.700 -0.324 0.000 1.301 326 E HN 0.652 nan 8.360 nan 0.000 0.454 327 R N 1.106 121.466 120.500 -0.233 0.000 2.522 327 R HA 0.319 4.660 4.340 0.001 0.000 0.283 327 R C -1.519 174.761 176.300 -0.035 0.000 1.074 327 R CA -0.706 55.315 56.100 -0.132 0.000 0.925 327 R CB 1.526 31.809 30.300 -0.028 0.000 1.205 327 R HN 0.557 nan 8.270 nan 0.000 0.436 328 K N 2.690 123.081 120.400 -0.015 0.000 2.293 328 K HA 0.235 4.555 4.320 0.001 0.000 0.267 328 K C -0.508 176.104 176.600 0.020 0.000 1.010 328 K CA -0.580 55.703 56.287 -0.005 0.000 0.875 328 K CB 1.971 34.537 32.500 0.111 0.000 1.106 328 K HN 0.584 nan 8.250 nan 0.000 0.450 329 T N -0.658 113.874 114.554 -0.037 0.000 2.859 329 T HA 0.464 4.815 4.350 0.001 0.000 0.281 329 T C -0.346 174.388 174.700 0.057 0.000 1.005 329 T CA -0.604 61.497 62.100 0.001 0.000 1.025 329 T CB 1.222 70.077 68.868 -0.021 0.000 0.977 329 T HN 0.283 nan 8.240 nan 0.000 0.458 330 S N 2.138 117.864 115.700 0.044 0.000 2.594 330 S HA 0.637 5.108 4.470 0.001 0.000 0.296 330 S C -0.661 173.837 174.600 -0.169 0.000 1.124 330 S CA -0.789 57.410 58.200 -0.002 0.000 1.011 330 S CB 1.410 64.648 63.200 0.063 0.000 1.016 330 S HN 1.112 nan 8.310 nan 0.000 0.485 331 V N 3.849 123.612 119.914 -0.252 0.000 2.604 331 V HA 0.806 4.926 4.120 0.001 0.000 0.305 331 V C -2.104 173.777 176.094 -0.355 0.000 1.043 331 V CA -0.414 61.758 62.300 -0.214 0.000 0.888 331 V CB 1.062 32.831 31.823 -0.090 0.000 0.995 331 V HN 0.806 nan 8.190 nan 0.000 0.429 332 Y N 5.355 125.792 120.300 0.229 0.000 2.499 332 Y HA 0.808 5.358 4.550 0.001 0.000 0.347 332 Y C -0.806 175.248 175.900 0.258 0.000 0.987 332 Y CA -0.915 57.308 58.100 0.205 0.000 1.044 332 Y CB 2.178 40.743 38.460 0.175 0.000 1.245 332 Y HN 0.821 nan 8.280 nan 0.000 0.461 333 Y N 0.513 120.933 120.300 0.199 0.000 2.390 333 Y HA 0.678 5.229 4.550 0.001 0.000 0.324 333 Y C -1.098 174.846 175.900 0.072 0.000 1.151 333 Y CA -1.368 56.798 58.100 0.110 0.000 1.053 333 Y CB 1.732 40.216 38.460 0.041 0.000 1.277 333 Y HN 0.734 nan 8.280 nan 0.000 0.432 334 G N 5.917 114.524 108.800 -0.322 0.000 2.643 334 G HA2 0.646 4.607 3.960 0.001 0.000 0.305 334 G HA3 0.646 4.607 3.960 0.001 0.000 0.305 334 G C -2.128 172.452 174.900 -0.534 0.000 1.387 334 G CA -0.804 44.059 45.100 -0.395 0.000 0.982 334 G HN 0.807 nan 8.290 nan 0.000 0.501 335 I N 1.831 122.100 120.570 -0.502 0.000 2.607 335 I HA 0.569 4.740 4.170 0.001 0.000 0.290 335 I C -1.402 174.592 176.117 -0.206 0.000 1.129 335 I CA -1.140 59.972 61.300 -0.313 0.000 1.042 335 I CB 1.920 39.780 38.000 -0.233 0.000 1.242 335 I HN 0.298 nan 8.210 nan 0.000 0.421 336 L N 6.783 127.914 121.223 -0.155 0.000 2.341 336 L HA 0.554 4.895 4.340 0.001 0.000 0.278 336 L C -0.639 176.124 176.870 -0.179 0.000 1.005 336 L CA -0.619 54.083 54.840 -0.230 0.000 0.818 336 L CB 1.915 43.810 42.059 -0.274 0.000 1.259 336 L HN 0.532 nan 8.230 nan 0.000 0.418 337 E N 2.733 122.780 120.200 -0.255 0.000 2.129 337 E HA 0.437 4.788 4.350 0.001 0.000 0.268 337 E C -1.483 174.961 176.600 -0.261 0.000 0.900 337 E CA -0.475 55.843 56.400 -0.138 0.000 0.755 337 E CB 1.583 31.239 29.700 -0.073 0.000 1.117 337 E HN 0.260 nan 8.360 nan 0.000 0.410 338 F N 1.867 121.812 119.950 -0.009 0.000 2.436 338 F HA 0.235 4.763 4.527 0.001 0.000 0.340 338 F C 0.308 176.109 175.800 0.001 0.000 1.113 338 F CA -0.857 57.136 58.000 -0.012 0.000 1.022 338 F CB 1.208 40.202 39.000 -0.010 0.000 1.128 338 F HN 0.233 nan 8.300 nan 0.000 0.466 339 D N 4.654 125.155 120.400 0.168 0.000 2.396 339 D HA 0.237 4.878 4.640 0.001 0.000 0.225 339 D C 1.163 177.532 176.300 0.114 0.000 1.121 339 D CA 0.055 54.126 54.000 0.118 0.000 0.853 339 D CB 1.301 42.147 40.800 0.076 0.000 1.043 339 D HN 0.478 nan 8.370 nan 0.000 0.500 340 L N 2.209 123.490 121.223 0.096 0.000 2.093 340 L HA -0.118 4.223 4.340 0.001 0.000 0.208 340 L C 0.552 177.450 176.870 0.047 0.000 1.085 340 L CA 1.002 55.876 54.840 0.057 0.000 0.755 340 L CB -0.335 41.743 42.059 0.031 0.000 0.904 340 L HN 0.418 nan 8.230 nan 0.000 0.435 341 N N -4.246 114.486 118.700 0.053 0.000 3.116 341 N HA 0.235 4.976 4.740 0.001 0.000 0.244 341 N C -2.494 173.043 175.510 0.044 0.000 1.485 341 N CA -1.299 51.778 53.050 0.045 0.000 0.884 341 N CB 0.395 38.907 38.487 0.041 0.000 1.415 341 N HN -0.421 nan 8.380 nan 0.000 0.524 342 P HA -0.117 nan 4.420 nan 0.000 0.219 342 P C -0.148 177.158 177.300 0.011 0.000 1.144 342 P CA 1.263 64.380 63.100 0.027 0.000 0.806 342 P CB 0.116 31.829 31.700 0.021 0.000 0.771 343 D N -2.111 118.289 120.400 0.001 0.000 2.392 343 D HA 0.067 4.707 4.640 0.001 0.000 0.206 343 D C 0.101 176.365 176.300 -0.060 0.000 1.046 343 D CA 0.843 54.801 54.000 -0.071 0.000 0.865 343 D CB 0.601 41.334 40.800 -0.112 0.000 0.969 343 D HN 0.170 nan 8.370 nan 0.000 0.509 344 T N 0.555 115.143 114.554 0.057 0.000 2.886 344 T HA 0.486 4.837 4.350 0.001 0.000 0.292 344 T C -0.387 174.365 174.700 0.087 0.000 1.012 344 T CA -0.589 61.581 62.100 0.117 0.000 0.982 344 T CB 2.777 71.752 68.868 0.179 0.000 1.018 344 T HN -0.150 nan 8.240 nan 0.000 0.451 345 M N 3.515 123.168 119.600 0.089 0.000 2.326 345 M HA 0.646 5.126 4.480 0.001 0.000 0.306 345 M C -1.981 174.390 176.300 0.118 0.000 1.054 345 M CA -1.215 54.148 55.300 0.104 0.000 0.922 345 M CB 1.692 34.352 32.600 0.099 0.000 1.632 345 M HN 0.560 nan 8.290 nan 0.000 0.436 346 L N 4.650 125.965 121.223 0.154 0.000 2.296 346 L HA 0.645 4.986 4.340 0.001 0.000 0.286 346 L C -1.186 175.830 176.870 0.244 0.000 1.023 346 L CA 0.382 55.322 54.840 0.168 0.000 0.812 346 L CB 1.892 44.017 42.059 0.112 0.000 1.223 346 L HN 0.693 nan 8.230 nan 0.000 0.421 347 T N 5.204 119.886 114.554 0.213 0.000 2.809 347 T HA 0.626 4.976 4.350 0.001 0.000 0.284 347 T C -0.571 174.244 174.700 0.192 0.000 0.992 347 T CA -0.483 61.750 62.100 0.221 0.000 0.957 347 T CB 1.305 70.322 68.868 0.249 0.000 0.942 347 T HN 0.559 nan 8.240 nan 0.000 0.439 348 V N 0.569 120.558 119.914 0.125 0.000 2.667 348 V HA 1.084 5.205 4.120 0.001 0.000 0.308 348 V C 0.072 176.011 176.094 -0.258 0.000 1.048 348 V CA -0.717 61.557 62.300 -0.043 0.000 0.928 348 V CB 1.518 33.355 31.823 0.024 0.000 1.004 348 V HN 1.072 nan 8.190 nan 0.000 0.444 349 G N 1.548 109.937 108.800 -0.686 0.000 2.759 349 G HA2 0.856 4.816 3.960 0.001 0.000 0.297 349 G HA3 0.856 4.816 3.960 0.001 0.000 0.297 349 G C -1.119 173.342 174.900 -0.731 0.000 1.434 349 G CA -0.211 44.375 45.100 -0.857 0.000 0.980 349 G HN 1.551 nan 8.290 nan 0.000 0.531 350 A N 1.140 123.823 122.820 -0.229 0.000 2.386 350 A HA 0.909 5.230 4.320 0.001 0.000 0.311 350 A C -1.006 176.751 177.584 0.289 0.000 1.068 350 A CA -0.496 51.553 52.037 0.019 0.000 0.743 350 A CB 2.022 21.030 19.000 0.012 0.000 1.258 350 A HN 1.142 nan 8.150 nan 0.000 0.429 351 D N -0.752 119.854 120.400 0.345 0.000 2.581 351 D HA 0.593 5.233 4.640 0.001 0.000 0.232 351 D C -1.233 175.267 176.300 0.333 0.000 1.143 351 D CA -0.427 53.797 54.000 0.373 0.000 0.881 351 D CB 1.181 42.135 40.800 0.255 0.000 1.500 351 D HN 0.532 nan 8.370 nan 0.000 0.458 352 Y N 0.048 120.457 120.300 0.181 0.000 2.479 352 Y HA 0.488 5.038 4.550 0.001 0.000 0.338 352 Y C -1.843 174.131 175.900 0.124 0.000 1.055 352 Y CA -0.567 57.637 58.100 0.173 0.000 1.023 352 Y CB 2.073 40.683 38.460 0.251 0.000 1.287 352 Y HN 0.628 nan 8.280 nan 0.000 0.447 353 Q N 4.899 124.379 119.800 -0.534 0.000 2.268 353 Q HA 0.294 4.635 4.340 0.001 0.000 0.266 353 Q C -2.315 173.379 176.000 -0.511 0.000 1.006 353 Q CA -0.728 54.802 55.803 -0.455 0.000 0.824 353 Q CB 1.727 30.355 28.738 -0.184 0.000 1.306 353 Q HN 0.754 nan 8.270 nan 0.000 0.424 354 D N 2.978 123.134 120.400 -0.408 0.000 2.344 354 D HA 0.314 4.954 4.640 0.001 0.000 0.239 354 D C -1.182 175.090 176.300 -0.046 0.000 1.064 354 D CA -0.257 53.636 54.000 -0.179 0.000 0.829 354 D CB 1.042 41.799 40.800 -0.072 0.000 1.129 354 D HN 0.512 nan 8.370 nan 0.000 0.506 355 N N 3.007 121.706 118.700 -0.002 0.000 2.446 355 N HA 0.176 4.917 4.740 0.001 0.000 0.265 355 N C -1.176 174.364 175.510 0.049 0.000 0.975 355 N CA -0.468 52.587 53.050 0.008 0.000 0.928 355 N CB 1.826 40.294 38.487 -0.032 0.000 1.160 355 N HN 0.345 nan 8.380 nan 0.000 0.495 356 D N 2.833 123.261 120.400 0.047 0.000 2.408 356 D HA 0.317 4.957 4.640 0.001 0.000 0.261 356 D C -2.630 173.680 176.300 0.017 0.000 1.190 356 D CA -1.608 52.428 54.000 0.060 0.000 0.910 356 D CB 1.795 42.635 40.800 0.066 0.000 1.097 356 D HN 0.226 nan 8.370 nan 0.000 0.522 357 P HA 0.469 nan 4.420 nan 0.000 0.285 357 P C -0.818 176.421 177.300 -0.102 0.000 1.285 357 P CA -0.797 62.225 63.100 -0.130 0.000 0.854 357 P CB 1.773 33.432 31.700 -0.069 0.000 1.180 358 K N -0.400 119.845 120.400 -0.258 0.000 2.426 358 K HA 0.539 4.860 4.320 0.001 0.000 0.251 358 K C 0.502 176.999 176.600 -0.171 0.000 0.941 358 K CA -0.466 55.750 56.287 -0.118 0.000 0.808 358 K CB 1.567 34.019 32.500 -0.080 0.000 1.265 358 K HN 0.834 nan 8.250 nan 0.000 0.432 359 G N 1.004 109.813 108.800 0.015 0.000 2.149 359 G HA2 -0.246 3.715 3.960 0.001 0.000 0.235 359 G HA3 -0.246 3.715 3.960 0.001 0.000 0.235 359 G C -0.090 174.975 174.900 0.275 0.000 1.018 359 G CA 0.125 45.305 45.100 0.132 0.000 0.728 359 G HN 0.406 nan 8.290 nan 0.000 0.508 360 S N 0.244 116.100 115.700 0.260 0.000 2.549 360 S HA 0.545 5.015 4.470 0.001 0.000 0.283 360 S C 1.094 175.863 174.600 0.281 0.000 1.320 360 S CA 0.360 58.773 58.200 0.355 0.000 1.058 360 S CB 1.212 64.621 63.200 0.348 0.000 0.882 360 S HN 1.206 nan 8.310 nan 0.000 0.498 361 G N 1.356 110.325 108.800 0.282 0.000 2.502 361 G HA2 0.330 4.291 3.960 0.001 0.000 0.305 361 G HA3 0.330 4.291 3.960 0.001 0.000 0.305 361 G C 0.127 175.261 174.900 0.390 0.000 1.190 361 G CA -0.497 44.786 45.100 0.304 0.000 0.933 361 G HN 0.784 nan 8.290 nan 0.000 0.503 362 W N 0.486 121.906 121.300 0.201 0.000 2.678 362 W HA 0.223 4.884 4.660 0.001 0.000 0.282 362 W C 0.693 177.380 176.519 0.278 0.000 1.137 362 W CA 0.977 58.434 57.345 0.187 0.000 1.515 362 W CB -0.082 29.445 29.460 0.112 0.000 1.101 362 W HN 0.543 nan 8.180 nan 0.000 0.564 363 S N 0.652 116.700 115.700 0.580 0.000 2.789 363 S HA 0.595 5.066 4.470 0.001 0.000 0.286 363 S C -0.026 174.799 174.600 0.376 0.000 1.153 363 S CA 0.066 58.621 58.200 0.591 0.000 1.084 363 S CB 1.266 64.647 63.200 0.302 0.000 1.036 363 S HN 0.801 nan 8.310 nan 0.000 0.484 364 G N 2.764 111.776 108.800 0.354 0.000 2.806 364 G HA2 -0.177 3.783 3.960 0.001 0.000 0.236 364 G HA3 -0.177 3.783 3.960 0.001 0.000 0.236 364 G C 0.453 175.425 174.900 0.121 0.000 1.387 364 G CA -0.127 45.054 45.100 0.135 0.000 0.884 364 G HN 1.283 nan 8.290 nan 0.000 0.560 365 S N -0.530 115.197 115.700 0.046 0.000 2.512 365 S HA 0.527 4.997 4.470 0.001 0.000 0.216 365 S C 0.038 174.940 174.600 0.504 0.000 1.006 365 S CA 1.267 59.619 58.200 0.253 0.000 0.915 365 S CB -0.014 63.381 63.200 0.325 0.000 0.824 365 S HN 1.432 nan 8.310 nan 0.000 0.497 366 F N -1.185 118.901 119.950 0.227 0.000 2.708 366 F HA 0.568 5.096 4.527 0.001 0.000 0.309 366 F C -3.677 172.165 175.800 0.071 0.000 1.120 366 F CA -2.552 55.582 58.000 0.223 0.000 0.978 366 F CB 0.155 39.212 39.000 0.095 0.000 1.283 366 F HN -0.319 nan 8.300 nan 0.000 0.439 367 P HA 0.247 nan 4.420 nan 0.000 0.268 367 P C 0.778 178.052 177.300 -0.043 0.000 1.204 367 P CA -0.143 62.968 63.100 0.019 0.000 0.768 367 P CB 0.967 32.725 31.700 0.097 0.000 0.842 368 L N 1.708 122.711 121.223 -0.367 0.000 2.083 368 L HA -0.069 4.272 4.340 0.001 0.000 0.209 368 L C 0.506 176.992 176.870 -0.641 0.000 1.083 368 L CA 1.512 55.964 54.840 -0.648 0.000 0.752 368 L CB -0.297 41.029 42.059 -1.222 0.000 0.899 368 L HN 0.333 nan 8.230 nan 0.000 0.433 369 F N -0.542 119.355 119.950 -0.087 0.000 2.532 369 F HA 0.270 4.798 4.527 0.001 0.000 0.321 369 F C 0.266 175.967 175.800 -0.166 0.000 1.089 369 F CA -2.193 55.740 58.000 -0.110 0.000 0.926 369 F CB 0.831 39.738 39.000 -0.154 0.000 1.168 369 F HN -0.078 nan 8.300 nan 0.000 0.459 370 D N -0.482 119.935 120.400 0.029 0.000 2.414 370 D HA 0.117 4.758 4.640 0.001 0.000 0.259 370 D C 1.257 177.461 176.300 -0.161 0.000 1.269 370 D CA -0.096 53.834 54.000 -0.117 0.000 1.028 370 D CB 0.137 40.861 40.800 -0.127 0.000 1.093 370 D HN 0.431 nan 8.370 nan 0.000 0.545 371 S N -1.156 114.422 115.700 -0.202 0.000 2.440 371 S HA -0.290 4.181 4.470 0.001 0.000 0.240 371 S C 1.447 175.925 174.600 -0.203 0.000 1.014 371 S CA 1.266 59.305 58.200 -0.269 0.000 0.980 371 S CB -0.583 62.517 63.200 -0.167 0.000 0.775 371 S HN 0.612 nan 8.310 nan 0.000 0.499 372 Q N 0.059 119.774 119.800 -0.142 0.000 2.319 372 Q HA 0.341 4.681 4.340 0.001 0.000 0.209 372 Q C 1.125 177.034 176.000 -0.150 0.000 0.884 372 Q CA 0.255 55.981 55.803 -0.127 0.000 0.938 372 Q CB 0.617 29.305 28.738 -0.082 0.000 1.098 372 Q HN 0.772 nan 8.270 nan 0.000 0.517 373 G N 1.702 110.410 108.800 -0.153 0.000 2.132 373 G HA2 -0.190 3.771 3.960 0.001 0.000 0.234 373 G HA3 -0.190 3.771 3.960 0.001 0.000 0.234 373 G C -0.235 174.610 174.900 -0.091 0.000 0.989 373 G CA -0.218 44.736 45.100 -0.243 0.000 0.676 373 G HN 0.198 nan 8.290 nan 0.000 0.522 374 N N 0.116 118.833 118.700 0.028 0.000 2.513 374 N HA 0.345 5.085 4.740 0.001 0.000 0.274 374 N C 0.654 176.322 175.510 0.263 0.000 1.189 374 N CA -0.358 52.755 53.050 0.104 0.000 0.975 374 N CB 0.577 39.094 38.487 0.049 0.000 1.157 374 N HN 0.321 nan 8.380 nan 0.000 0.465 375 R N 1.112 121.772 120.500 0.266 0.000 2.489 375 R HA 0.067 4.407 4.340 0.001 0.000 0.287 375 R C -0.092 176.284 176.300 0.127 0.000 1.053 375 R CA -0.120 56.124 56.100 0.239 0.000 1.036 375 R CB 0.194 30.628 30.300 0.223 0.000 0.966 375 R HN 0.399 nan 8.270 nan 0.000 0.432 376 N N 2.106 120.855 118.700 0.082 0.000 2.475 376 N HA -0.036 4.705 4.740 0.001 0.000 0.267 376 N C -0.880 174.652 175.510 0.037 0.000 1.169 376 N CA 0.406 53.483 53.050 0.045 0.000 0.947 376 N CB 0.867 39.389 38.487 0.058 0.000 1.061 376 N HN 0.429 nan 8.380 nan 0.000 0.466 377 D N 2.435 122.841 120.400 0.011 0.000 2.472 377 D HA 0.270 4.910 4.640 0.001 0.000 0.234 377 D C -0.717 175.544 176.300 -0.064 0.000 1.088 377 D CA -0.465 53.539 54.000 0.007 0.000 0.882 377 D CB 0.471 41.301 40.800 0.051 0.000 1.037 377 D HN 0.223 nan 8.370 nan 0.000 0.520 378 V N 0.501 120.291 119.914 -0.207 0.000 3.001 378 V HA 0.692 4.812 4.120 0.001 0.000 0.314 378 V C 0.483 176.520 176.094 -0.094 0.000 1.099 378 V CA -0.856 61.301 62.300 -0.238 0.000 0.989 378 V CB 1.629 33.082 31.823 -0.616 0.000 1.040 378 V HN 0.313 nan 8.190 nan 0.000 0.434 379 S N 1.145 116.847 115.700 0.004 0.000 2.580 379 S HA 0.234 4.704 4.470 0.001 0.000 0.266 379 S C 1.254 175.860 174.600 0.009 0.000 1.354 379 S CA -0.182 58.025 58.200 0.011 0.000 1.008 379 S CB 0.388 63.627 63.200 0.065 0.000 0.898 379 S HN 0.816 nan 8.310 nan 0.000 0.555 380 R N 0.953 121.317 120.500 -0.228 0.000 2.193 380 R HA -0.081 4.259 4.340 0.001 0.000 0.229 380 R C 2.138 178.568 176.300 0.217 0.000 1.110 380 R CA 1.416 57.302 56.100 -0.356 0.000 0.988 380 R CB -0.329 29.605 30.300 -0.609 0.000 0.871 380 R HN 0.734 nan 8.270 nan 0.000 0.458 381 S N -0.300 115.489 115.700 0.149 0.000 2.603 381 S HA -0.004 4.466 4.470 0.001 0.000 0.220 381 S C 0.434 175.080 174.600 0.077 0.000 0.967 381 S CA -0.380 57.878 58.200 0.096 0.000 0.920 381 S CB -0.203 63.024 63.200 0.045 0.000 0.773 381 S HN 0.153 nan 8.310 nan 0.000 0.529 382 F N 3.755 123.747 119.950 0.070 0.000 2.484 382 F HA 0.488 5.015 4.527 0.001 0.000 0.360 382 F C 0.174 176.062 175.800 0.147 0.000 1.101 382 F CA -0.425 57.633 58.000 0.096 0.000 1.251 382 F CB 0.510 39.543 39.000 0.055 0.000 1.132 382 F HN 0.153 nan 8.300 nan 0.000 0.570 383 N N 4.881 123.396 118.700 -0.308 0.000 2.609 383 N HA 0.103 4.844 4.740 0.001 0.000 0.268 383 N C 0.246 175.858 175.510 0.169 0.000 1.106 383 N CA -0.682 52.334 53.050 -0.055 0.000 0.823 383 N CB 0.204 38.455 38.487 -0.393 0.000 1.263 383 N HN 0.616 nan 8.380 nan 0.000 0.533 384 N N 1.593 120.523 118.700 0.383 0.000 2.322 384 N HA -0.110 4.631 4.740 0.001 0.000 0.189 384 N C 0.732 176.514 175.510 0.454 0.000 1.012 384 N CA 1.094 54.376 53.050 0.386 0.000 0.880 384 N CB -0.697 38.019 38.487 0.382 0.000 0.967 384 N HN 0.474 nan 8.380 nan 0.000 0.439 385 G N -0.414 108.660 108.800 0.457 0.000 2.527 385 G HA2 0.504 4.465 3.960 0.001 0.000 0.248 385 G HA3 0.504 4.465 3.960 0.001 0.000 0.248 385 G C -0.218 174.926 174.900 0.406 0.000 1.231 385 G CA 0.061 45.380 45.100 0.366 0.000 0.838 385 G HN 0.525 nan 8.290 nan 0.000 0.570 386 A N 1.445 124.300 122.820 0.059 0.000 2.407 386 A HA 0.326 4.647 4.320 0.001 0.000 0.248 386 A C 1.566 178.881 177.584 -0.448 0.000 1.082 386 A CA -0.148 51.681 52.037 -0.345 0.000 0.785 386 A CB 0.420 18.794 19.000 -1.043 0.000 1.020 386 A HN 0.800 nan 8.150 nan 0.000 0.489 387 K N 1.129 121.253 120.400 -0.460 0.000 2.144 387 K HA -0.185 4.135 4.320 0.001 0.000 0.209 387 K C 1.373 177.943 176.600 -0.051 0.000 1.047 387 K CA 2.395 58.551 56.287 -0.217 0.000 0.927 387 K CB -0.161 32.220 32.500 -0.199 0.000 0.716 387 K HN 0.991 nan 8.250 nan 0.000 0.454 388 W N -0.142 121.205 121.300 0.079 0.000 3.077 388 W HA 0.252 4.913 4.660 0.001 0.000 0.266 388 W C 0.355 176.968 176.519 0.156 0.000 1.300 388 W CA -0.534 56.874 57.345 0.105 0.000 1.586 388 W CB -0.532 28.995 29.460 0.112 0.000 1.103 388 W HN -0.181 nan 8.180 nan 0.000 0.652 389 S N 2.121 117.772 115.700 -0.083 0.000 2.537 389 S HA 0.201 4.672 4.470 0.001 0.000 0.286 389 S C -0.137 174.574 174.600 0.184 0.000 1.299 389 S CA 0.382 58.602 58.200 0.033 0.000 1.067 389 S CB 0.639 63.739 63.200 -0.167 0.000 0.864 389 S HN 0.192 nan 8.310 nan 0.000 0.494 390 S N 5.175 121.027 115.700 0.253 0.000 2.689 390 S HA 0.370 4.841 4.470 0.001 0.000 0.274 390 S C -1.551 173.242 174.600 0.323 0.000 1.176 390 S CA -0.594 57.763 58.200 0.260 0.000 1.014 390 S CB 0.539 63.898 63.200 0.266 0.000 1.071 390 S HN 0.816 nan 8.310 nan 0.000 0.478 391 W N 6.237 127.609 121.300 0.119 0.000 1.818 391 W HA 0.380 5.041 4.660 0.001 0.000 0.334 391 W C 0.069 176.665 176.519 0.127 0.000 0.753 391 W CA -1.203 56.202 57.345 0.100 0.000 1.826 391 W CB -0.298 29.192 29.460 0.050 0.000 2.001 391 W HN 0.704 nan 8.180 nan 0.000 0.324 392 E N 2.821 123.291 120.200 0.450 0.000 2.366 392 E HA 0.004 4.355 4.350 0.001 0.000 0.266 392 E C -0.886 175.928 176.600 0.356 0.000 1.015 392 E CA 0.686 57.278 56.400 0.321 0.000 0.906 392 E CB 0.735 30.618 29.700 0.306 0.000 0.979 392 E HN 0.454 nan 8.360 nan 0.000 0.443 393 Q N 3.336 123.246 119.800 0.183 0.000 2.305 393 Q HA 0.375 4.715 4.340 0.001 0.000 0.271 393 Q C -1.379 174.687 176.000 0.110 0.000 1.046 393 Q CA -0.853 55.016 55.803 0.110 0.000 0.798 393 Q CB 2.073 30.733 28.738 -0.130 0.000 1.286 393 Q HN 0.507 nan 8.270 nan 0.000 0.435 394 Y N -1.685 118.617 120.300 0.002 0.000 2.492 394 Y HA 0.842 5.392 4.550 0.001 0.000 0.346 394 Y C -0.945 174.905 175.900 -0.083 0.000 0.997 394 Y CA -1.010 57.038 58.100 -0.087 0.000 1.025 394 Y CB 1.646 40.064 38.460 -0.070 0.000 1.263 394 Y HN 0.515 nan 8.280 nan 0.000 0.454 395 T N 1.149 115.688 114.554 -0.024 0.000 2.893 395 T HA 0.851 5.202 4.350 0.001 0.000 0.291 395 T C -0.958 173.767 174.700 0.041 0.000 1.028 395 T CA -1.043 61.021 62.100 -0.060 0.000 0.995 395 T CB 2.199 70.986 68.868 -0.134 0.000 1.051 395 T HN 1.153 nan 8.240 nan 0.000 0.470 396 R N -0.073 120.479 120.500 0.087 0.000 2.536 396 R HA 0.627 4.967 4.340 0.001 0.000 0.269 396 R C -1.737 174.627 176.300 0.107 0.000 1.113 396 R CA -0.685 55.519 56.100 0.174 0.000 0.948 396 R CB 1.330 31.863 30.300 0.388 0.000 1.237 396 R HN 0.694 nan 8.270 nan 0.000 0.441 397 T N 1.845 116.488 114.554 0.148 0.000 2.863 397 T HA 0.556 4.906 4.350 0.001 0.000 0.285 397 T C -0.807 174.031 174.700 0.229 0.000 1.009 397 T CA -0.816 61.392 62.100 0.180 0.000 0.989 397 T CB 1.985 70.990 68.868 0.227 0.000 1.004 397 T HN 0.336 nan 8.240 nan 0.000 0.455 398 V N 3.994 124.045 119.914 0.228 0.000 2.483 398 V HA 0.713 4.834 4.120 0.001 0.000 0.297 398 V C -0.927 175.305 176.094 0.231 0.000 1.027 398 V CA -0.948 61.439 62.300 0.145 0.000 0.855 398 V CB 0.600 32.512 31.823 0.148 0.000 0.995 398 V HN 0.907 nan 8.190 nan 0.000 0.424 399 F N 2.514 122.556 119.950 0.154 0.000 2.588 399 F HA 1.020 5.548 4.527 0.001 0.000 0.314 399 F C -0.243 175.637 175.800 0.134 0.000 1.069 399 F CA -1.381 56.709 58.000 0.150 0.000 0.931 399 F CB 1.934 41.030 39.000 0.160 0.000 1.260 399 F HN 0.563 nan 8.300 nan 0.000 0.465 400 A N 2.232 125.252 122.820 0.334 0.000 2.393 400 A HA 0.747 5.068 4.320 0.001 0.000 0.306 400 A C -1.730 176.024 177.584 0.284 0.000 1.050 400 A CA -0.830 51.350 52.037 0.239 0.000 0.724 400 A CB 1.211 20.284 19.000 0.122 0.000 1.248 400 A HN 0.842 nan 8.150 nan 0.000 0.424 401 N N 0.253 119.115 118.700 0.271 0.000 2.321 401 N HA 0.647 5.388 4.740 0.001 0.000 0.299 401 N C -1.372 174.230 175.510 0.154 0.000 1.048 401 N CA -0.352 52.829 53.050 0.217 0.000 0.836 401 N CB 2.113 40.745 38.487 0.242 0.000 1.269 401 N HN 0.524 nan 8.380 nan 0.000 0.486 402 L N 1.942 123.234 121.223 0.114 0.000 2.376 402 L HA 0.465 4.806 4.340 0.001 0.000 0.275 402 L C -0.941 175.972 176.870 0.071 0.000 0.987 402 L CA -0.496 54.394 54.840 0.084 0.000 0.828 402 L CB 1.102 43.194 42.059 0.055 0.000 1.249 402 L HN 0.629 nan 8.230 nan 0.000 0.409 403 E N 3.163 123.409 120.200 0.076 0.000 2.224 403 E HA 0.391 4.742 4.350 0.001 0.000 0.265 403 E C -1.561 175.083 176.600 0.073 0.000 0.878 403 E CA -0.785 55.651 56.400 0.060 0.000 0.759 403 E CB 1.631 31.360 29.700 0.049 0.000 1.164 403 E HN 0.674 nan 8.360 nan 0.000 0.414 404 H N 2.607 121.625 119.070 -0.086 0.000 2.495 404 H HA 0.419 4.976 4.556 0.001 0.000 0.348 404 H C -1.303 173.881 175.328 -0.240 0.000 1.113 404 H CA -0.705 55.214 56.048 -0.215 0.000 1.195 404 H CB 1.440 30.982 29.762 -0.367 0.000 1.521 404 H HN 0.495 nan 8.280 nan 0.000 0.509 405 N N 3.192 121.470 118.700 -0.703 0.000 2.479 405 N HA 0.226 4.967 4.740 0.001 0.000 0.285 405 N C -1.308 173.743 175.510 -0.765 0.000 1.075 405 N CA -0.199 52.569 53.050 -0.470 0.000 0.967 405 N CB 0.533 38.874 38.487 -0.243 0.000 1.137 405 N HN 0.326 nan 8.380 nan 0.000 0.472 406 F N 0.744 120.618 119.950 -0.127 0.000 2.420 406 F HA 0.422 4.949 4.527 0.001 0.000 0.342 406 F C 0.909 176.725 175.800 0.026 0.000 1.113 406 F CA -1.142 56.848 58.000 -0.018 0.000 1.059 406 F CB 1.273 40.339 39.000 0.109 0.000 1.128 406 F HN 0.469 nan 8.300 nan 0.000 0.475 407 A N 3.000 125.927 122.820 0.177 0.000 3.110 407 A HA 0.077 4.398 4.320 0.001 0.000 0.265 407 A C 0.890 178.569 177.584 0.160 0.000 1.962 407 A CA 0.959 53.073 52.037 0.128 0.000 1.493 407 A CB -1.062 17.995 19.000 0.095 0.000 0.941 407 A HN 0.915 nan 8.150 nan 0.000 0.610 408 N N -1.100 117.718 118.700 0.198 0.000 2.152 408 N HA 0.128 4.869 4.740 0.001 0.000 0.309 408 N C 0.821 176.494 175.510 0.272 0.000 1.006 408 N CA 1.429 54.614 53.050 0.224 0.000 0.678 408 N CB -0.195 38.434 38.487 0.236 0.000 2.012 408 N HN 0.809 nan 8.380 nan 0.000 0.795 409 G N -0.805 108.163 108.800 0.281 0.000 2.260 409 G HA2 -0.132 3.829 3.960 0.001 0.000 0.179 409 G HA3 -0.132 3.829 3.960 0.001 0.000 0.179 409 G C -0.724 174.288 174.900 0.187 0.000 1.002 409 G CA -0.215 45.006 45.100 0.201 0.000 0.677 409 G HN 0.113 nan 8.290 nan 0.000 0.486 410 W N 0.468 121.854 121.300 0.142 0.000 2.438 410 W HA 0.683 5.344 4.660 0.001 0.000 0.324 410 W C 0.407 177.100 176.519 0.290 0.000 1.119 410 W CA -0.331 57.107 57.345 0.156 0.000 1.221 410 W CB 1.634 31.109 29.460 0.026 0.000 1.253 410 W HN 0.470 nan 8.180 nan 0.000 0.555 411 V N 2.479 122.628 119.914 0.392 0.000 2.667 411 V HA 0.997 5.117 4.120 0.001 0.000 0.308 411 V C -0.382 175.911 176.094 0.332 0.000 1.048 411 V CA -0.807 61.685 62.300 0.320 0.000 0.928 411 V CB 1.549 33.455 31.823 0.138 0.000 1.004 411 V HN 0.648 nan 8.190 nan 0.000 0.444 412 G N 3.889 112.869 108.800 0.299 0.000 2.683 412 G HA2 0.563 4.524 3.960 0.001 0.000 0.299 412 G HA3 0.563 4.524 3.960 0.001 0.000 0.299 412 G C -1.264 173.611 174.900 -0.043 0.000 1.432 412 G CA -0.747 44.455 45.100 0.170 0.000 0.978 412 G HN 0.921 nan 8.290 nan 0.000 0.513 413 K N 1.654 121.837 120.400 -0.361 0.000 2.221 413 K HA 0.688 5.009 4.320 0.001 0.000 0.258 413 K C -0.957 175.559 176.600 -0.141 0.000 0.944 413 K CA -0.596 55.516 56.287 -0.292 0.000 0.823 413 K CB 2.307 34.533 32.500 -0.457 0.000 1.113 413 K HN 0.259 nan 8.250 nan 0.000 0.431 414 V N 4.346 124.264 119.914 0.007 0.000 2.487 414 V HA 0.317 4.438 4.120 0.001 0.000 0.298 414 V C -0.933 175.234 176.094 0.122 0.000 1.028 414 V CA -0.804 61.540 62.300 0.073 0.000 0.860 414 V CB 1.662 33.525 31.823 0.068 0.000 0.991 414 V HN 0.765 nan 8.190 nan 0.000 0.427 415 Q N 4.749 124.644 119.800 0.159 0.000 2.330 415 Q HA 0.648 4.989 4.340 0.001 0.000 0.269 415 Q C -1.647 174.467 176.000 0.190 0.000 1.022 415 Q CA -0.787 55.129 55.803 0.188 0.000 0.796 415 Q CB 2.950 31.804 28.738 0.194 0.000 1.271 415 Q HN 0.521 nan 8.270 nan 0.000 0.450 416 L N 2.747 124.096 121.223 0.209 0.000 2.319 416 L HA 0.399 4.740 4.340 0.001 0.000 0.281 416 L C -0.931 176.094 176.870 0.259 0.000 1.005 416 L CA -0.242 54.720 54.840 0.204 0.000 0.828 416 L CB 1.518 43.672 42.059 0.159 0.000 1.227 416 L HN 0.483 nan 8.230 nan 0.000 0.415 417 D N 0.899 121.452 120.400 0.255 0.000 2.256 417 D HA 0.316 4.957 4.640 0.001 0.000 0.246 417 D C -0.819 175.669 176.300 0.314 0.000 1.042 417 D CA -0.175 54.000 54.000 0.291 0.000 0.841 417 D CB 1.380 42.324 40.800 0.241 0.000 1.223 417 D HN 0.385 nan 8.370 nan 0.000 0.470 418 H N 2.173 121.355 119.070 0.186 0.000 2.708 418 H HA 0.354 4.910 4.556 0.001 0.000 0.320 418 H C -0.975 174.444 175.328 0.152 0.000 0.991 418 H CA -0.688 55.452 56.048 0.152 0.000 1.243 418 H CB 0.962 30.797 29.762 0.122 0.000 1.446 418 H HN 0.209 nan 8.280 nan 0.000 0.502 419 K N 5.014 125.373 120.400 -0.068 0.000 2.221 419 K HA 0.524 4.844 4.320 0.001 0.000 0.243 419 K C -1.083 175.407 176.600 -0.184 0.000 0.968 419 K CA -0.788 55.444 56.287 -0.091 0.000 0.846 419 K CB 1.538 34.035 32.500 -0.005 0.000 1.141 419 K HN 0.526 nan 8.250 nan 0.000 0.434 420 I N 2.619 123.124 120.570 -0.108 0.000 2.478 420 I HA 0.224 4.394 4.170 0.001 0.000 0.287 420 I C -1.354 174.701 176.117 -0.102 0.000 1.042 420 I CA -0.836 60.419 61.300 -0.075 0.000 1.067 420 I CB 2.059 40.068 38.000 0.014 0.000 1.233 420 I HN 0.572 nan 8.210 nan 0.000 0.431 421 N N 4.301 122.919 118.700 -0.137 0.000 2.564 421 N HA 0.551 5.291 4.740 0.001 0.000 0.248 421 N C -0.297 175.037 175.510 -0.294 0.000 0.986 421 N CA -0.313 52.615 53.050 -0.203 0.000 0.921 421 N CB 1.919 40.341 38.487 -0.109 0.000 1.136 421 N HN 0.706 nan 8.380 nan 0.000 0.509 422 G N 0.782 109.128 108.800 -0.756 0.000 2.489 422 G HA2 0.650 4.610 3.960 0.001 0.000 0.327 422 G HA3 0.650 4.610 3.960 0.001 0.000 0.327 422 G C -1.434 173.220 174.900 -0.410 0.000 1.189 422 G CA -0.474 44.066 45.100 -0.933 0.000 0.962 422 G HN 0.438 nan 8.290 nan 0.000 0.486 423 Y N -1.250 118.993 120.300 -0.096 0.000 2.581 423 Y HA 0.715 5.265 4.550 0.001 0.000 0.337 423 Y C -1.195 174.881 175.900 0.294 0.000 1.108 423 Y CA -1.586 56.616 58.100 0.170 0.000 1.033 423 Y CB 1.830 40.434 38.460 0.241 0.000 1.318 423 Y HN 0.658 nan 8.280 nan 0.000 0.459 424 H N 2.368 121.625 119.070 0.311 0.000 3.177 424 H HA 0.714 5.271 4.556 0.001 0.000 0.314 424 H C -1.867 173.577 175.328 0.193 0.000 1.059 424 H CA -0.327 55.818 56.048 0.162 0.000 1.515 424 H CB 1.250 31.091 29.762 0.132 0.000 1.672 424 H HN 1.115 nan 8.280 nan 0.000 0.514 425 A N 7.068 129.892 122.820 0.006 0.000 2.842 425 A HA 0.345 4.665 4.320 0.001 0.000 0.339 425 A C -2.811 174.633 177.584 -0.233 0.000 1.177 425 A CA -1.513 50.527 52.037 0.005 0.000 0.797 425 A CB 0.474 19.436 19.000 -0.064 0.000 1.094 425 A HN 0.396 nan 8.150 nan 0.000 0.474 426 P HA 0.271 nan 4.420 nan 0.000 0.268 426 P C -0.551 176.881 177.300 0.220 0.000 1.541 426 P CA 0.246 63.190 63.100 -0.260 0.000 1.093 426 P CB 0.372 32.047 31.700 -0.040 0.000 1.551 427 L N 2.866 124.140 121.223 0.085 0.000 2.334 427 L HA 0.766 5.106 4.340 0.001 0.000 0.277 427 L C 1.018 178.167 176.870 0.465 0.000 1.075 427 L CA -0.223 54.717 54.840 0.166 0.000 0.804 427 L CB 1.461 43.383 42.059 -0.227 0.000 1.174 427 L HN 0.363 nan 8.230 nan 0.000 0.438 428 G N 1.781 110.726 108.800 0.241 0.000 2.739 428 G HA2 0.731 4.691 3.960 0.001 0.000 0.292 428 G HA3 0.731 4.691 3.960 0.001 0.000 0.292 428 G C -1.638 173.334 174.900 0.121 0.000 1.444 428 G CA -0.133 45.079 45.100 0.186 0.000 1.144 428 G HN 0.824 nan 8.290 nan 0.000 0.550 429 A N 1.821 124.787 122.820 0.243 0.000 2.610 429 A HA 0.767 5.088 4.320 0.001 0.000 0.291 429 A C -0.870 176.780 177.584 0.109 0.000 1.086 429 A CA -0.750 51.413 52.037 0.210 0.000 0.677 429 A CB 0.952 20.128 19.000 0.292 0.000 1.278 429 A HN 0.795 nan 8.150 nan 0.000 0.414 430 I N 2.442 123.009 120.570 -0.006 0.000 2.421 430 I HA 0.327 4.498 4.170 0.001 0.000 0.291 430 I C 0.419 176.616 176.117 0.134 0.000 1.089 430 I CA 0.500 61.770 61.300 -0.050 0.000 1.354 430 I CB 0.075 37.967 38.000 -0.180 0.000 1.413 430 I HN 0.716 nan 8.210 nan 0.000 0.513 431 M N 4.750 124.448 119.600 0.163 0.000 2.667 431 M HA 0.934 5.415 4.480 0.001 0.000 0.286 431 M C -0.060 176.396 176.300 0.260 0.000 1.270 431 M CA -0.570 54.824 55.300 0.157 0.000 0.826 431 M CB 2.303 34.883 32.600 -0.033 0.000 1.743 431 M HN 0.625 nan 8.290 nan 0.000 0.460 432 G N 0.815 109.643 108.800 0.046 0.000 2.566 432 G HA2 -0.076 3.885 3.960 0.001 0.000 0.599 432 G HA3 -0.076 3.885 3.960 0.001 0.000 0.599 432 G C -1.745 172.913 174.900 -0.403 0.000 1.292 432 G CA -0.680 44.315 45.100 -0.176 0.000 0.922 432 G HN 0.879 nan 8.290 nan 0.000 0.514 433 D N 0.789 120.755 120.400 -0.724 0.000 2.422 433 D HA 0.443 5.084 4.640 0.001 0.000 0.227 433 D C -0.318 175.423 176.300 -0.931 0.000 1.190 433 D CA 0.759 54.394 54.000 -0.608 0.000 0.905 433 D CB 0.054 40.573 40.800 -0.467 0.000 1.034 433 D HN 0.394 nan 8.370 nan 0.000 0.507 434 W N 2.055 123.256 121.300 -0.165 0.000 3.029 434 W HA 0.314 4.975 4.660 0.001 0.000 0.339 434 W C -2.135 174.004 176.519 -0.634 0.000 1.198 434 W CA -1.988 55.176 57.345 -0.301 0.000 1.148 434 W CB 1.210 30.536 29.460 -0.222 0.000 1.451 434 W HN 0.058 nan 8.180 nan 0.000 0.564 435 P HA 0.292 nan 4.420 nan 0.000 0.276 435 P C -0.459 176.893 177.300 0.087 0.000 1.261 435 P CA -0.129 62.862 63.100 -0.181 0.000 0.800 435 P CB 0.594 32.090 31.700 -0.340 0.000 1.066 436 A N 1.821 124.792 122.820 0.252 0.000 2.327 436 A HA 0.312 4.632 4.320 0.001 0.000 0.255 436 A C -1.189 176.434 177.584 0.066 0.000 1.099 436 A CA -1.042 51.099 52.037 0.174 0.000 0.801 436 A CB -1.271 17.867 19.000 0.231 0.000 1.062 436 A HN 0.435 nan 8.150 nan 0.000 0.496 437 P HA -0.136 nan 4.420 nan 0.000 0.221 437 P C 0.264 177.588 177.300 0.039 0.000 1.145 437 P CA 1.453 64.569 63.100 0.027 0.000 0.795 437 P CB -0.117 31.593 31.700 0.016 0.000 0.775 438 D N -1.638 118.792 120.400 0.050 0.000 2.370 438 D HA -0.004 4.636 4.640 0.001 0.000 0.230 438 D C 0.419 176.760 176.300 0.068 0.000 1.143 438 D CA -0.656 53.375 54.000 0.052 0.000 0.834 438 D CB -1.118 39.708 40.800 0.044 0.000 0.944 438 D HN -0.046 nan 8.370 nan 0.000 0.504 439 N N 0.071 118.820 118.700 0.082 0.000 2.778 439 N HA -0.214 4.526 4.740 0.001 0.000 0.249 439 N C -0.794 174.798 175.510 0.135 0.000 1.069 439 N CA 1.059 54.185 53.050 0.127 0.000 0.831 439 N CB -1.413 37.160 38.487 0.142 0.000 1.142 439 N HN 0.456 nan 8.380 nan 0.000 0.573 440 S N -1.275 114.469 115.700 0.074 0.000 2.646 440 S HA 0.880 5.351 4.470 0.001 0.000 0.276 440 S C 0.185 174.716 174.600 -0.115 0.000 1.222 440 S CA -0.116 58.083 58.200 -0.002 0.000 1.014 440 S CB 2.430 65.607 63.200 -0.038 0.000 0.991 440 S HN 0.693 nan 8.310 nan 0.000 0.533 441 A N 0.996 123.603 122.820 -0.354 0.000 2.609 441 A HA 0.778 5.099 4.320 0.001 0.000 0.291 441 A C -1.258 175.671 177.584 -1.091 0.000 1.096 441 A CA -1.070 50.465 52.037 -0.837 0.000 0.684 441 A CB 1.347 20.159 19.000 -0.314 0.000 1.282 441 A HN 0.772 nan 8.150 nan 0.000 0.412 442 K N 0.845 120.247 120.400 -1.663 0.000 2.316 442 K HA 0.606 4.927 4.320 0.001 0.000 0.251 442 K C -1.128 175.225 176.600 -0.411 0.000 0.934 442 K CA -0.749 55.051 56.287 -0.812 0.000 0.802 442 K CB 1.920 34.086 32.500 -0.556 0.000 1.171 442 K HN 0.495 nan 8.250 nan 0.000 0.426 443 I N 2.640 123.109 120.570 -0.169 0.000 2.428 443 I HA 0.230 4.400 4.170 0.001 0.000 0.296 443 I C -0.011 176.186 176.117 0.133 0.000 0.985 443 I CA -0.762 60.546 61.300 0.014 0.000 1.260 443 I CB 1.530 39.621 38.000 0.151 0.000 1.389 443 I HN 0.269 nan 8.210 nan 0.000 0.484 444 V N 5.451 125.465 119.914 0.166 0.000 2.370 444 V HA 0.682 4.803 4.120 0.001 0.000 0.283 444 V C 0.248 176.567 176.094 0.374 0.000 1.023 444 V CA -0.587 61.833 62.300 0.199 0.000 0.857 444 V CB 1.412 33.257 31.823 0.036 0.000 0.985 444 V HN 0.879 nan 8.190 nan 0.000 0.443 445 A N 5.468 128.550 122.820 0.435 0.000 2.335 445 A HA 0.857 5.177 4.320 0.001 0.000 0.304 445 A C -0.683 177.275 177.584 0.623 0.000 1.118 445 A CA -0.585 51.796 52.037 0.574 0.000 0.757 445 A CB 1.277 20.552 19.000 0.459 0.000 1.188 445 A HN 0.784 nan 8.150 nan 0.000 0.460 446 Q N 1.324 121.512 119.800 0.648 0.000 2.377 446 Q HA 0.438 4.778 4.340 0.001 0.000 0.279 446 Q C -1.261 174.577 176.000 -0.270 0.000 1.049 446 Q CA -0.864 55.138 55.803 0.332 0.000 0.825 446 Q CB 3.092 31.989 28.738 0.264 0.000 1.401 446 Q HN 0.649 nan 8.270 nan 0.000 0.404 447 K N 1.810 121.800 120.400 -0.684 0.000 2.244 447 K HA 0.479 4.800 4.320 0.001 0.000 0.260 447 K C -1.683 174.444 176.600 -0.790 0.000 0.951 447 K CA -0.443 55.219 56.287 -1.041 0.000 0.826 447 K CB 0.930 32.403 32.500 -1.712 0.000 1.108 447 K HN 0.543 nan 8.250 nan 0.000 0.433 448 Y N 1.032 121.171 120.300 -0.269 0.000 2.350 448 Y HA 0.240 4.790 4.550 0.001 0.000 0.338 448 Y C 0.315 176.188 175.900 -0.046 0.000 0.961 448 Y CA -0.721 57.344 58.100 -0.059 0.000 1.100 448 Y CB 2.090 40.549 38.460 -0.002 0.000 1.179 448 Y HN 0.543 nan 8.280 nan 0.000 0.454 449 T N -0.172 114.401 114.554 0.032 0.000 2.907 449 T HA 0.986 5.336 4.350 0.001 0.000 0.292 449 T C -0.146 174.297 174.700 -0.430 0.000 1.043 449 T CA -0.670 61.285 62.100 -0.242 0.000 1.003 449 T CB 2.142 70.892 68.868 -0.196 0.000 1.084 449 T HN 1.053 nan 8.240 nan 0.000 0.483 450 G N 0.262 108.493 108.800 -0.949 0.000 2.451 450 G HA2 0.536 4.496 3.960 0.001 0.000 0.292 450 G HA3 0.536 4.496 3.960 0.001 0.000 0.292 450 G C -2.164 172.445 174.900 -0.486 0.000 1.427 450 G CA -0.813 43.938 45.100 -0.581 0.000 0.792 450 G HN 0.918 nan 8.290 nan 0.000 0.498 451 E N -0.992 119.172 120.200 -0.061 0.000 2.343 451 E HA 0.647 4.998 4.350 0.001 0.000 0.278 451 E C -1.456 175.209 176.600 0.108 0.000 0.910 451 E CA -0.639 55.752 56.400 -0.016 0.000 0.757 451 E CB 2.279 31.987 29.700 0.012 0.000 1.218 451 E HN 0.361 nan 8.360 nan 0.000 0.435 452 T N 3.616 118.201 114.554 0.051 0.000 2.892 452 T HA 0.323 4.674 4.350 0.001 0.000 0.311 452 T C -0.831 173.906 174.700 0.061 0.000 1.033 452 T CA -0.712 61.435 62.100 0.078 0.000 0.991 452 T CB 0.723 69.586 68.868 -0.009 0.000 0.981 452 T HN 0.249 nan 8.240 nan 0.000 0.457 453 K N 1.908 122.366 120.400 0.095 0.000 2.174 453 K HA 0.675 4.995 4.320 0.001 0.000 0.275 453 K C -0.277 176.437 176.600 0.190 0.000 1.015 453 K CA -0.587 55.760 56.287 0.100 0.000 0.933 453 K CB 0.936 33.524 32.500 0.146 0.000 1.025 453 K HN 0.392 nan 8.250 nan 0.000 0.463 454 S N 1.741 117.546 115.700 0.174 0.000 2.677 454 S HA 0.272 4.742 4.470 0.001 0.000 0.283 454 S C -1.197 173.583 174.600 0.300 0.000 1.159 454 S CA -0.999 57.345 58.200 0.239 0.000 1.001 454 S CB 1.053 64.362 63.200 0.183 0.000 1.032 454 S HN 0.569 nan 8.310 nan 0.000 0.487 455 N N 1.082 119.991 118.700 0.348 0.000 2.392 455 N HA 0.598 5.338 4.740 0.001 0.000 0.283 455 N C -1.192 174.521 175.510 0.338 0.000 1.003 455 N CA -0.437 52.818 53.050 0.342 0.000 0.892 455 N CB 1.503 40.152 38.487 0.270 0.000 1.193 455 N HN 0.369 nan 8.380 nan 0.000 0.487 456 S N 1.798 117.664 115.700 0.276 0.000 2.561 456 S HA 0.453 4.923 4.470 0.001 0.000 0.303 456 S C -1.222 173.511 174.600 0.222 0.000 1.110 456 S CA -0.579 57.765 58.200 0.241 0.000 1.034 456 S CB 1.226 64.543 63.200 0.196 0.000 1.010 456 S HN 0.339 nan 8.310 nan 0.000 0.482 457 L N 2.855 124.208 121.223 0.217 0.000 2.334 457 L HA 0.761 5.102 4.340 0.001 0.000 0.276 457 L C -1.100 175.876 176.870 0.178 0.000 1.014 457 L CA 0.033 54.987 54.840 0.189 0.000 0.815 457 L CB 1.498 43.668 42.059 0.186 0.000 1.268 457 L HN 0.604 nan 8.230 nan 0.000 0.428 458 D N 4.315 124.823 120.400 0.181 0.000 2.891 458 D HA 0.321 4.962 4.640 0.001 0.000 0.224 458 D C -1.384 175.046 176.300 0.216 0.000 1.321 458 D CA -0.232 53.894 54.000 0.210 0.000 0.929 458 D CB 1.609 42.554 40.800 0.242 0.000 1.551 458 D HN 0.587 nan 8.370 nan 0.000 0.574 459 I N 1.632 122.316 120.570 0.190 0.000 2.530 459 I HA 0.805 4.975 4.170 0.001 0.000 0.297 459 I C -1.730 174.527 176.117 0.233 0.000 1.011 459 I CA -0.773 60.620 61.300 0.154 0.000 1.107 459 I CB 1.868 39.918 38.000 0.083 0.000 1.285 459 I HN 0.260 nan 8.210 nan 0.000 0.436 460 Y N 4.429 124.787 120.300 0.096 0.000 2.479 460 Y HA 0.741 5.292 4.550 0.001 0.000 0.338 460 Y C -2.043 173.946 175.900 0.148 0.000 1.055 460 Y CA -1.433 56.717 58.100 0.083 0.000 1.023 460 Y CB 0.920 39.465 38.460 0.140 0.000 1.287 460 Y HN 0.562 nan 8.280 nan 0.000 0.447 461 L N 3.653 125.024 121.223 0.247 0.000 2.322 461 L HA 0.822 5.162 4.340 0.001 0.000 0.279 461 L C -0.073 177.075 176.870 0.464 0.000 1.036 461 L CA -0.836 54.205 54.840 0.334 0.000 0.807 461 L CB 2.105 44.344 42.059 0.300 0.000 1.226 461 L HN 0.920 nan 8.230 nan 0.000 0.433 462 T N 1.130 115.908 114.554 0.373 0.000 3.032 462 T HA 0.782 5.132 4.350 0.001 0.000 0.312 462 T C -0.618 173.727 174.700 -0.593 0.000 1.078 462 T CA -0.083 61.996 62.100 -0.035 0.000 1.028 462 T CB 1.589 70.539 68.868 0.137 0.000 1.091 462 T HN 0.973 nan 8.240 nan 0.000 0.457 463 G N 4.076 111.962 108.800 -1.522 0.000 2.342 463 G HA2 0.655 4.616 3.960 0.001 0.000 0.297 463 G HA3 0.655 4.616 3.960 0.001 0.000 0.297 463 G C -3.543 170.578 174.900 -1.299 0.000 1.313 463 G CA -0.829 43.195 45.100 -1.793 0.000 0.830 463 G HN 0.646 nan 8.290 nan 0.000 0.506 464 P HA 0.753 nan 4.420 nan 0.000 0.283 464 P C -1.263 176.291 177.300 0.423 0.000 1.271 464 P CA -0.624 62.452 63.100 -0.040 0.000 0.841 464 P CB 1.273 32.953 31.700 -0.033 0.000 1.122 465 F N -2.090 117.974 119.950 0.190 0.000 2.703 465 F HA 0.533 5.061 4.527 0.001 0.000 0.308 465 F C -1.511 174.475 175.800 0.309 0.000 1.126 465 F CA -1.264 56.903 58.000 0.279 0.000 0.959 465 F CB 1.039 40.229 39.000 0.316 0.000 1.297 465 F HN 0.366 nan 8.300 nan 0.000 0.441 466 Q N 1.892 121.835 119.800 0.238 0.000 2.256 466 Q HA 0.556 4.896 4.340 0.001 0.000 0.257 466 Q C -1.424 174.819 176.000 0.404 0.000 0.936 466 Q CA -0.596 55.313 55.803 0.176 0.000 0.903 466 Q CB 2.442 31.253 28.738 0.122 0.000 1.263 466 Q HN 0.815 nan 8.270 nan 0.000 0.440 467 F N 2.588 122.693 119.950 0.259 0.000 2.531 467 F HA 0.401 4.929 4.527 0.001 0.000 0.273 467 F C -0.023 175.882 175.800 0.175 0.000 0.960 467 F CA -0.129 58.016 58.000 0.241 0.000 1.207 467 F CB 0.975 40.048 39.000 0.123 0.000 1.012 467 F HN 0.552 nan 8.300 nan 0.000 0.738 468 L N 0.367 121.643 121.223 0.088 0.000 2.960 468 L HA 0.424 4.764 4.340 0.001 0.000 0.274 468 L C 0.851 177.709 176.870 -0.020 0.000 1.327 468 L CA 0.295 55.072 54.840 -0.106 0.000 0.860 468 L CB 0.754 42.696 42.059 -0.195 0.000 1.239 468 L HN 0.410 nan 8.230 nan 0.000 0.551 469 G N 0.123 108.928 108.800 0.007 0.000 2.179 469 G HA2 -0.252 3.708 3.960 0.001 0.000 0.260 469 G HA3 -0.252 3.708 3.960 0.001 0.000 0.260 469 G C 0.365 175.246 174.900 -0.032 0.000 0.977 469 G CA -0.089 45.007 45.100 -0.006 0.000 0.641 469 G HN 0.398 nan 8.290 nan 0.000 0.533 470 R N 0.037 120.502 120.500 -0.058 0.000 2.711 470 R HA 0.613 4.953 4.340 0.001 0.000 0.284 470 R C -0.968 175.048 176.300 -0.474 0.000 0.968 470 R CA -0.969 54.998 56.100 -0.223 0.000 0.924 470 R CB 1.595 31.757 30.300 -0.231 0.000 1.162 470 R HN 0.157 nan 8.270 nan 0.000 0.465 471 E N 1.586 121.524 120.200 -0.437 0.000 2.167 471 E HA 0.182 4.532 4.350 0.001 0.000 0.284 471 E C -0.964 175.283 176.600 -0.589 0.000 1.016 471 E CA -0.058 56.096 56.400 -0.411 0.000 0.817 471 E CB 0.493 30.083 29.700 -0.184 0.000 1.080 471 E HN 0.416 nan 8.360 nan 0.000 0.397 472 H N 1.451 120.316 119.070 -0.340 0.000 2.810 472 H HA 0.586 5.142 4.556 0.001 0.000 0.316 472 H C -0.325 174.827 175.328 -0.293 0.000 1.426 472 H CA -0.988 54.829 56.048 -0.385 0.000 1.413 472 H CB 1.018 30.409 29.762 -0.618 0.000 1.874 472 H HN 0.491 nan 8.280 nan 0.000 0.737 473 E N 0.357 120.532 120.200 -0.041 0.000 2.366 473 E HA 0.524 4.875 4.350 0.001 0.000 0.278 473 E C -1.773 174.851 176.600 0.041 0.000 0.923 473 E CA -1.086 55.317 56.400 0.005 0.000 0.761 473 E CB 2.384 32.014 29.700 -0.117 0.000 1.231 473 E HN 0.283 nan 8.360 nan 0.000 0.443 474 L N 1.527 122.731 121.223 -0.032 0.000 2.388 474 L HA 0.589 4.929 4.340 0.001 0.000 0.264 474 L C -1.717 175.112 176.870 -0.069 0.000 0.998 474 L CA -0.778 54.055 54.840 -0.012 0.000 0.817 474 L CB 2.313 44.425 42.059 0.088 0.000 1.338 474 L HN 0.578 nan 8.230 nan 0.000 0.414 475 V N 4.459 124.397 119.914 0.039 0.000 2.483 475 V HA 0.619 4.739 4.120 0.001 0.000 0.297 475 V C -0.486 175.693 176.094 0.141 0.000 1.027 475 V CA -0.740 61.632 62.300 0.121 0.000 0.855 475 V CB 1.623 33.517 31.823 0.119 0.000 0.995 475 V HN 0.630 nan 8.190 nan 0.000 0.424 476 V N 1.926 121.936 119.914 0.161 0.000 2.513 476 V HA 1.102 5.223 4.120 0.001 0.000 0.299 476 V C 0.139 176.172 176.094 -0.102 0.000 1.035 476 V CA 0.035 62.344 62.300 0.015 0.000 0.889 476 V CB 1.382 33.218 31.823 0.022 0.000 0.988 476 V HN 1.115 nan 8.190 nan 0.000 0.440 477 G N 1.610 110.088 108.800 -0.537 0.000 2.718 477 G HA2 0.622 4.583 3.960 0.001 0.000 0.295 477 G HA3 0.622 4.583 3.960 0.001 0.000 0.295 477 G C -1.138 173.290 174.900 -0.786 0.000 1.421 477 G CA -0.300 44.339 45.100 -0.767 0.000 0.902 477 G HN 1.042 nan 8.290 nan 0.000 0.501 478 T N -0.632 113.746 114.554 -0.294 0.000 2.912 478 T HA 0.765 5.115 4.350 0.001 0.000 0.299 478 T C -0.461 174.280 174.700 0.067 0.000 1.052 478 T CA -0.056 61.985 62.100 -0.098 0.000 0.996 478 T CB 1.447 70.290 68.868 -0.041 0.000 1.070 478 T HN 1.565 nan 8.240 nan 0.000 0.465 479 S N 2.174 117.945 115.700 0.118 0.000 2.546 479 S HA 0.906 5.377 4.470 0.001 0.000 0.274 479 S C -0.969 173.681 174.600 0.083 0.000 1.121 479 S CA -0.722 57.561 58.200 0.138 0.000 0.887 479 S CB 1.707 65.020 63.200 0.188 0.000 1.094 479 S HN 1.110 nan 8.310 nan 0.000 0.474 480 A N 1.057 123.926 122.820 0.081 0.000 2.413 480 A HA 0.931 5.252 4.320 0.001 0.000 0.307 480 A C -0.416 177.155 177.584 -0.023 0.000 1.087 480 A CA -0.861 51.169 52.037 -0.013 0.000 0.750 480 A CB 1.922 20.980 19.000 0.095 0.000 1.296 480 A HN 1.187 nan 8.150 nan 0.000 0.423 481 S N 0.345 115.882 115.700 -0.273 0.000 2.680 481 S HA 0.601 5.072 4.470 0.001 0.000 0.262 481 S C -1.869 172.553 174.600 -0.297 0.000 1.138 481 S CA -0.334 57.793 58.200 -0.122 0.000 1.072 481 S CB -0.100 63.065 63.200 -0.059 0.000 1.097 481 S HN 0.471 nan 8.310 nan 0.000 0.468 482 F N 3.003 123.006 119.950 0.087 0.000 2.402 482 F HA 0.606 5.133 4.527 0.001 0.000 0.355 482 F C 0.674 176.560 175.800 0.144 0.000 1.123 482 F CA -0.653 57.403 58.000 0.092 0.000 1.021 482 F CB 1.868 40.924 39.000 0.092 0.000 1.160 482 F HN 0.413 nan 8.300 nan 0.000 0.451 483 S N 1.492 117.373 115.700 0.302 0.000 2.536 483 S HA 0.536 5.006 4.470 0.001 0.000 0.287 483 S C -1.456 173.382 174.600 0.396 0.000 1.101 483 S CA -0.736 57.669 58.200 0.342 0.000 0.950 483 S CB 1.528 64.932 63.200 0.340 0.000 1.056 483 S HN 0.825 nan 8.310 nan 0.000 0.481 484 H N 1.635 120.856 119.070 0.252 0.000 2.860 484 H HA 0.425 4.981 4.556 0.001 0.000 0.312 484 H C -1.761 173.680 175.328 0.189 0.000 0.995 484 H CA -0.678 55.495 56.048 0.209 0.000 1.311 484 H CB 0.549 30.410 29.762 0.166 0.000 1.478 484 H HN 0.763 nan 8.280 nan 0.000 0.508 485 W N 6.175 127.568 121.300 0.155 0.000 2.361 485 W HA 0.361 5.021 4.660 0.001 0.000 0.309 485 W C -1.268 175.293 176.519 0.070 0.000 1.122 485 W CA -0.794 56.495 57.345 -0.093 0.000 1.208 485 W CB 0.808 29.919 29.460 -0.582 0.000 1.246 485 W HN 0.603 nan 8.180 nan 0.000 0.490 486 E N 3.720 123.940 120.200 0.033 0.000 2.241 486 E HA 0.583 4.934 4.350 0.001 0.000 0.263 486 E C -0.328 176.179 176.600 -0.155 0.000 0.882 486 E CA -0.628 55.679 56.400 -0.155 0.000 0.769 486 E CB 1.740 31.394 29.700 -0.076 0.000 1.185 486 E HN 0.611 nan 8.360 nan 0.000 0.415 487 G N 2.407 111.039 108.800 -0.281 0.000 2.619 487 G HA2 0.581 4.542 3.960 0.001 0.000 0.296 487 G HA3 0.581 4.542 3.960 0.001 0.000 0.296 487 G C -1.132 173.676 174.900 -0.153 0.000 1.334 487 G CA -0.614 44.424 45.100 -0.103 0.000 0.934 487 G HN 0.256 nan 8.290 nan 0.000 0.476 488 K N 0.209 120.514 120.400 -0.159 0.000 2.316 488 K HA 0.714 5.035 4.320 0.001 0.000 0.251 488 K C -0.754 175.651 176.600 -0.325 0.000 0.934 488 K CA -0.589 55.460 56.287 -0.397 0.000 0.802 488 K CB 2.350 34.575 32.500 -0.458 0.000 1.171 488 K HN 0.416 nan 8.250 nan 0.000 0.426 489 S N 1.077 116.428 115.700 -0.583 0.000 2.566 489 S HA 0.546 5.017 4.470 0.001 0.000 0.298 489 S C -1.537 172.506 174.600 -0.929 0.000 1.083 489 S CA -0.729 57.159 58.200 -0.521 0.000 0.978 489 S CB 0.683 63.702 63.200 -0.303 0.000 1.073 489 S HN 0.399 nan 8.310 nan 0.000 0.491 490 Y N 1.472 121.421 120.300 -0.585 0.000 2.329 490 Y HA 0.407 4.957 4.550 0.001 0.000 0.328 490 Y C -0.088 175.723 175.900 -0.149 0.000 0.992 490 Y CA -0.877 56.977 58.100 -0.411 0.000 1.151 490 Y CB 1.079 39.388 38.460 -0.251 0.000 1.150 490 Y HN 0.962 nan 8.280 nan 0.000 0.450 491 W N 0.280 121.645 121.300 0.108 0.000 1.857 491 W HA 0.360 5.021 4.660 0.001 0.000 0.244 491 W C -1.073 175.511 176.519 0.107 0.000 0.859 491 W CA -0.534 56.885 57.345 0.124 0.000 1.112 491 W CB -0.097 29.418 29.460 0.091 0.000 0.967 491 W HN 0.132 nan 8.180 nan 0.000 0.524 492 N N 3.259 122.119 118.700 0.268 0.000 2.767 492 N HA 0.274 5.014 4.740 0.001 0.000 0.238 492 N C -0.816 174.775 175.510 0.135 0.000 1.083 492 N CA 0.036 53.213 53.050 0.211 0.000 0.964 492 N CB 0.950 39.526 38.487 0.150 0.000 1.252 492 N HN 0.057 nan 8.380 nan 0.000 0.512 493 L N -0.211 121.083 121.223 0.117 0.000 2.326 493 L HA 0.451 4.792 4.340 0.001 0.000 0.278 493 L C 0.875 177.756 176.870 0.020 0.000 1.092 493 L CA -0.644 54.202 54.840 0.010 0.000 0.810 493 L CB 0.556 42.532 42.059 -0.139 0.000 1.153 493 L HN 0.064 nan 8.230 nan 0.000 0.439 494 R N 3.185 123.673 120.500 -0.020 0.000 2.399 494 R HA 0.049 4.389 4.340 0.001 0.000 0.324 494 R C 0.022 176.340 176.300 0.029 0.000 1.030 494 R CA -0.054 56.047 56.100 0.003 0.000 0.984 494 R CB -0.364 29.924 30.300 -0.020 0.000 0.961 494 R HN 0.922 nan 8.270 nan 0.000 0.433 495 N N 2.891 121.619 118.700 0.047 0.000 2.524 495 N HA -0.298 4.442 4.740 0.001 0.000 0.329 495 N C -1.073 174.493 175.510 0.094 0.000 1.153 495 N CA 0.679 53.765 53.050 0.060 0.000 0.804 495 N CB -0.141 38.364 38.487 0.031 0.000 1.031 495 N HN 0.504 nan 8.380 nan 0.000 0.574 496 Y N 1.694 121.965 120.300 -0.048 0.000 2.364 496 Y HA 0.247 4.797 4.550 0.001 0.000 0.340 496 Y C -0.587 175.291 175.900 -0.037 0.000 0.975 496 Y CA -1.551 56.508 58.100 -0.067 0.000 1.089 496 Y CB 1.390 39.786 38.460 -0.106 0.000 1.192 496 Y HN 0.422 nan 8.280 nan 0.000 0.454 497 D N 5.351 125.407 120.400 -0.573 0.000 2.374 497 D HA -0.012 4.629 4.640 0.001 0.000 0.240 497 D C 0.034 175.805 176.300 -0.882 0.000 1.229 497 D CA 0.134 53.817 54.000 -0.527 0.000 0.895 497 D CB 0.377 40.991 40.800 -0.311 0.000 1.046 497 D HN 0.822 nan 8.370 nan 0.000 0.498 498 N N 2.140 120.502 118.700 -0.562 0.000 2.251 498 N HA -0.048 4.693 4.740 0.001 0.000 0.217 498 N C -0.341 175.040 175.510 -0.215 0.000 1.124 498 N CA -0.430 52.400 53.050 -0.366 0.000 0.843 498 N CB 0.318 38.788 38.487 -0.028 0.000 1.024 498 N HN 0.189 nan 8.380 nan 0.000 0.501 499 T N -2.751 111.666 114.554 -0.229 0.000 2.859 499 T HA 0.455 4.805 4.350 0.001 0.000 0.281 499 T C -0.360 174.258 174.700 -0.136 0.000 1.005 499 T CA -0.646 61.325 62.100 -0.215 0.000 1.025 499 T CB 2.067 70.823 68.868 -0.187 0.000 0.977 499 T HN 0.034 nan 8.240 nan 0.000 0.458 500 T N 0.905 115.381 114.554 -0.130 0.000 2.841 500 T HA 0.328 4.679 4.350 0.001 0.000 0.283 500 T C 0.220 174.926 174.700 0.010 0.000 1.000 500 T CA -0.698 61.406 62.100 0.006 0.000 0.977 500 T CB 1.144 70.084 68.868 0.121 0.000 0.979 500 T HN 0.565 nan 8.240 nan 0.000 0.446 501 D N 2.406 122.836 120.400 0.049 0.000 2.348 501 D HA 0.086 4.727 4.640 0.001 0.000 0.216 501 D C 0.015 176.370 176.300 0.092 0.000 0.970 501 D CA 0.836 54.865 54.000 0.048 0.000 0.889 501 D CB 0.343 41.166 40.800 0.039 0.000 0.912 501 D HN 0.550 nan 8.370 nan 0.000 0.524 502 D N -0.863 119.625 120.400 0.146 0.000 2.386 502 D HA 0.014 4.655 4.640 0.001 0.000 0.247 502 D C -0.004 176.469 176.300 0.288 0.000 1.336 502 D CA -0.588 53.527 54.000 0.191 0.000 0.976 502 D CB 0.400 41.290 40.800 0.149 0.000 1.257 502 D HN -0.156 nan 8.370 nan 0.000 0.570 503 F N 3.611 123.657 119.950 0.161 0.000 2.094 503 F HA 0.088 4.616 4.527 0.001 0.000 0.291 503 F C 1.988 177.992 175.800 0.340 0.000 1.109 503 F CA 0.973 59.106 58.000 0.221 0.000 1.221 503 F CB -0.023 39.058 39.000 0.135 0.000 1.014 503 F HN 0.387 nan 8.300 nan 0.000 0.473 504 I N 0.840 121.664 120.570 0.424 0.000 2.300 504 I HA -0.369 3.802 4.170 0.001 0.000 0.252 504 I C 0.686 176.935 176.117 0.221 0.000 1.119 504 I CA 1.463 62.946 61.300 0.306 0.000 1.384 504 I CB -0.502 37.648 38.000 0.250 0.000 1.062 504 I HN 0.269 nan 8.210 nan 0.000 0.426 505 N N -0.291 118.522 118.700 0.189 0.000 2.328 505 N HA -0.002 4.739 4.740 0.001 0.000 0.247 505 N C -0.401 175.169 175.510 0.101 0.000 1.165 505 N CA -0.184 52.941 53.050 0.125 0.000 0.873 505 N CB 0.092 38.631 38.487 0.088 0.000 1.125 505 N HN 0.363 nan 8.380 nan 0.000 0.513 506 W N 1.936 123.168 121.300 -0.115 0.000 2.520 506 W HA -0.092 4.569 4.660 0.001 0.000 0.337 506 W C -0.037 176.310 176.519 -0.287 0.000 1.406 506 W CA 0.435 57.638 57.345 -0.237 0.000 1.318 506 W CB 0.542 29.771 29.460 -0.385 0.000 1.338 506 W HN 0.087 nan 8.180 nan 0.000 0.570 507 D N 3.096 123.013 120.400 -0.805 0.000 2.398 507 D HA 0.136 4.776 4.640 0.001 0.000 0.210 507 D C 1.784 177.152 176.300 -1.552 0.000 1.094 507 D CA 0.820 54.332 54.000 -0.813 0.000 0.839 507 D CB 0.145 40.653 40.800 -0.487 0.000 0.963 507 D HN 0.720 nan 8.370 nan 0.000 0.506 508 G N 1.066 108.326 108.800 -2.567 0.000 2.162 508 G HA2 -0.250 3.711 3.960 0.001 0.000 0.260 508 G HA3 -0.250 3.711 3.960 0.001 0.000 0.260 508 G C 0.159 174.238 174.900 -1.368 0.000 0.976 508 G CA 0.189 43.880 45.100 -2.349 0.000 0.655 508 G HN 0.401 nan 8.290 nan 0.000 0.533 509 D N 0.502 120.245 120.400 -1.096 0.000 2.494 509 D HA 0.539 5.180 4.640 0.001 0.000 0.217 509 D C -0.049 176.148 176.300 -0.171 0.000 1.153 509 D CA -0.061 53.668 54.000 -0.452 0.000 0.954 509 D CB 0.210 40.819 40.800 -0.318 0.000 1.034 509 D HN 0.434 nan 8.370 nan 0.000 0.518 510 I N 0.721 121.313 120.570 0.037 0.000 2.769 510 I HA 0.429 4.600 4.170 0.001 0.000 0.298 510 I C 0.368 176.738 176.117 0.422 0.000 1.128 510 I CA -0.712 60.739 61.300 0.252 0.000 1.031 510 I CB 1.938 40.183 38.000 0.408 0.000 1.235 510 I HN 0.232 nan 8.210 nan 0.000 0.423 511 G N 4.434 113.417 108.800 0.304 0.000 2.474 511 G HA2 0.022 3.983 3.960 0.001 0.000 0.233 511 G HA3 0.022 3.983 3.960 0.001 0.000 0.233 511 G C -0.427 174.640 174.900 0.278 0.000 1.278 511 G CA -0.248 45.005 45.100 0.254 0.000 0.861 511 G HN 0.748 nan 8.290 nan 0.000 0.567 512 K N 2.042 122.265 120.400 -0.294 0.000 2.350 512 K HA 0.278 4.598 4.320 0.001 0.000 0.279 512 K C -1.933 174.155 176.600 -0.853 0.000 1.027 512 K CA -1.066 54.544 56.287 -1.128 0.000 0.969 512 K CB 0.722 32.608 32.500 -1.024 0.000 0.954 512 K HN 0.241 nan 8.250 nan 0.000 0.474 513 P HA 0.082 nan 4.420 nan 0.000 0.278 513 P C -1.293 175.292 177.300 -1.192 0.000 1.258 513 P CA -0.541 61.688 63.100 -1.451 0.000 0.811 513 P CB 0.594 31.026 31.700 -2.113 0.000 1.063 514 D N 0.324 120.296 120.400 -0.713 0.000 2.339 514 D HA 0.042 4.683 4.640 0.001 0.000 0.256 514 D C 0.164 176.174 176.300 -0.484 0.000 1.214 514 D CA -0.110 53.607 54.000 -0.472 0.000 0.877 514 D CB 0.144 40.808 40.800 -0.226 0.000 1.111 514 D HN 0.287 nan 8.370 nan 0.000 0.478 515 W N 3.644 124.781 121.300 -0.272 0.000 2.584 515 W HA 0.188 4.849 4.660 0.001 0.000 0.264 515 W C 1.761 178.250 176.519 -0.051 0.000 1.264 515 W CA 0.523 57.718 57.345 -0.250 0.000 1.306 515 W CB -0.096 29.047 29.460 -0.529 0.000 1.110 515 W HN 0.738 nan 8.180 nan 0.000 0.606 516 G N 0.307 109.190 108.800 0.137 0.000 2.584 516 G HA2 -0.261 3.700 3.960 0.001 0.000 0.229 516 G HA3 -0.261 3.700 3.960 0.001 0.000 0.229 516 G C 0.128 175.173 174.900 0.242 0.000 1.320 516 G CA -0.293 44.890 45.100 0.138 0.000 0.891 516 G HN 0.283 nan 8.290 nan 0.000 0.573 517 T N -0.047 114.589 114.554 0.137 0.000 2.899 517 T HA 0.592 4.942 4.350 0.001 0.000 0.295 517 T C -2.159 172.447 174.700 -0.157 0.000 1.033 517 T CA -0.488 61.654 62.100 0.070 0.000 1.084 517 T CB 1.384 70.258 68.868 0.010 0.000 0.979 517 T HN 0.533 nan 8.240 nan 0.000 0.532 518 P HA 0.179 nan 4.420 nan 0.000 0.266 518 P C 0.187 177.023 177.300 -0.775 0.000 1.195 518 P CA -0.227 62.170 63.100 -1.171 0.000 0.768 518 P CB 0.482 31.380 31.700 -1.336 0.000 0.838 519 S N 0.346 115.491 115.700 -0.926 0.000 2.511 519 S HA 0.068 4.538 4.470 0.001 0.000 0.214 519 S C 0.445 174.615 174.600 -0.716 0.000 0.997 519 S CA 0.149 57.866 58.200 -0.805 0.000 0.908 519 S CB 0.082 62.464 63.200 -1.365 0.000 0.803 519 S HN 0.545 nan 8.310 nan 0.000 0.504 520 Q N -0.379 118.929 119.800 -0.820 0.000 2.377 520 Q HA 0.480 4.821 4.340 0.001 0.000 0.279 520 Q C -2.248 173.392 176.000 -0.600 0.000 1.049 520 Q CA -0.635 54.865 55.803 -0.505 0.000 0.825 520 Q CB 1.663 30.147 28.738 -0.422 0.000 1.401 520 Q HN 0.316 nan 8.270 nan 0.000 0.404 521 Y N 2.487 122.661 120.300 -0.209 0.000 2.329 521 Y HA 0.429 4.979 4.550 0.001 0.000 0.328 521 Y C -0.167 175.611 175.900 -0.203 0.000 0.992 521 Y CA -0.792 57.188 58.100 -0.200 0.000 1.151 521 Y CB 1.389 39.753 38.460 -0.160 0.000 1.150 521 Y HN 0.423 nan 8.280 nan 0.000 0.450 522 I N 2.892 123.356 120.570 -0.177 0.000 2.440 522 I HA 0.244 4.415 4.170 0.001 0.000 0.294 522 I C -0.500 175.440 176.117 -0.294 0.000 0.995 522 I CA -0.238 60.831 61.300 -0.385 0.000 1.306 522 I CB 1.606 39.049 38.000 -0.928 0.000 1.407 522 I HN 0.633 nan 8.210 nan 0.000 0.501 523 D N 3.955 124.223 120.400 -0.220 0.000 2.381 523 D HA 0.275 4.915 4.640 0.001 0.000 0.245 523 D C -1.183 175.084 176.300 -0.055 0.000 1.297 523 D CA -0.231 53.722 54.000 -0.078 0.000 0.931 523 D CB 0.695 41.499 40.800 0.007 0.000 1.334 523 D HN 0.381 nan 8.370 nan 0.000 0.535 524 D N 1.484 121.865 120.400 -0.031 0.000 2.185 524 D HA 0.488 5.128 4.640 0.001 0.000 0.247 524 D C -0.728 175.692 176.300 0.201 0.000 1.027 524 D CA -0.312 53.771 54.000 0.139 0.000 0.861 524 D CB 1.200 42.210 40.800 0.351 0.000 1.202 524 D HN 0.038 nan 8.370 nan 0.000 0.453 525 K N 1.270 121.763 120.400 0.154 0.000 2.426 525 K HA 0.503 4.823 4.320 0.001 0.000 0.254 525 K C -1.131 175.554 176.600 0.142 0.000 0.936 525 K CA -0.703 55.658 56.287 0.123 0.000 0.801 525 K CB 2.059 34.538 32.500 -0.036 0.000 1.139 525 K HN 0.247 nan 8.250 nan 0.000 0.424 526 T N 2.788 117.444 114.554 0.170 0.000 2.770 526 T HA 0.323 4.673 4.350 0.001 0.000 0.283 526 T C -0.728 173.892 174.700 -0.133 0.000 0.988 526 T CA -0.711 61.354 62.100 -0.059 0.000 0.957 526 T CB 0.833 69.622 68.868 -0.132 0.000 0.930 526 T HN 0.274 nan 8.240 nan 0.000 0.443 527 R N 3.061 123.393 120.500 -0.281 0.000 2.480 527 R HA 0.430 4.770 4.340 0.001 0.000 0.306 527 R C -1.306 174.734 176.300 -0.432 0.000 0.958 527 R CA -0.567 55.326 56.100 -0.345 0.000 0.861 527 R CB 1.663 31.815 30.300 -0.246 0.000 1.171 527 R HN 0.761 nan 8.270 nan 0.000 0.445 528 Q N 5.691 125.250 119.800 -0.402 0.000 2.274 528 Q HA 0.421 4.761 4.340 0.001 0.000 0.268 528 Q C -1.455 174.436 176.000 -0.182 0.000 1.015 528 Q CA -0.625 55.035 55.803 -0.238 0.000 0.775 528 Q CB 1.656 30.320 28.738 -0.122 0.000 1.256 528 Q HN 0.575 nan 8.270 nan 0.000 0.442 529 L N 2.541 123.710 121.223 -0.089 0.000 2.329 529 L HA 0.910 5.250 4.340 0.001 0.000 0.279 529 L C 0.142 177.039 176.870 0.045 0.000 1.014 529 L CA -1.019 53.801 54.840 -0.032 0.000 0.814 529 L CB 1.990 44.037 42.059 -0.021 0.000 1.257 529 L HN 0.776 nan 8.230 nan 0.000 0.424 530 G N 0.723 109.567 108.800 0.073 0.000 2.731 530 G HA2 0.586 4.546 3.960 0.001 0.000 0.298 530 G HA3 0.586 4.546 3.960 0.001 0.000 0.298 530 G C -1.455 173.531 174.900 0.143 0.000 1.424 530 G CA -0.243 44.932 45.100 0.125 0.000 1.029 530 G HN 0.434 nan 8.290 nan 0.000 0.518 531 S N 0.121 115.903 115.700 0.136 0.000 2.532 531 S HA 0.779 5.249 4.470 0.001 0.000 0.299 531 S C -1.257 173.422 174.600 0.133 0.000 1.105 531 S CA -0.539 57.691 58.200 0.049 0.000 1.018 531 S CB 1.089 64.299 63.200 0.017 0.000 1.021 531 S HN 0.734 nan 8.310 nan 0.000 0.483 532 Y N 0.011 120.337 120.300 0.043 0.000 2.524 532 Y HA 0.874 5.425 4.550 0.001 0.000 0.347 532 Y C -1.006 174.916 175.900 0.036 0.000 1.005 532 Y CA -1.423 56.693 58.100 0.026 0.000 1.025 532 Y CB 0.984 39.425 38.460 -0.032 0.000 1.275 532 Y HN 0.450 nan 8.280 nan 0.000 0.460 533 M N 2.078 121.785 119.600 0.179 0.000 2.518 533 M HA 0.720 5.200 4.480 0.001 0.000 0.300 533 M C -1.338 175.043 176.300 0.134 0.000 1.175 533 M CA -0.351 55.020 55.300 0.119 0.000 0.890 533 M CB 3.013 35.659 32.600 0.078 0.000 1.710 533 M HN 0.817 nan 8.290 nan 0.000 0.453 534 T N 1.422 116.032 114.554 0.092 0.000 3.237 534 T HA 0.727 5.077 4.350 0.001 0.000 0.319 534 T C -1.362 173.340 174.700 0.003 0.000 1.037 534 T CA -0.775 61.361 62.100 0.060 0.000 1.048 534 T CB 1.553 70.427 68.868 0.011 0.000 1.081 534 T HN 0.715 nan 8.240 nan 0.000 0.455 535 A N 2.823 125.603 122.820 -0.068 0.000 2.324 535 A HA 0.849 5.169 4.320 0.001 0.000 0.330 535 A C -0.068 177.270 177.584 -0.411 0.000 1.165 535 A CA -0.826 51.029 52.037 -0.303 0.000 0.813 535 A CB 0.957 19.573 19.000 -0.640 0.000 1.197 535 A HN 0.765 nan 8.150 nan 0.000 0.484 536 R N 2.507 122.714 120.500 -0.488 0.000 2.312 536 R HA 0.450 4.790 4.340 0.001 0.000 0.310 536 R C -1.766 174.277 176.300 -0.428 0.000 1.064 536 R CA -0.369 55.335 56.100 -0.659 0.000 0.983 536 R CB 0.139 30.043 30.300 -0.660 0.000 1.139 536 R HN 0.556 nan 8.270 nan 0.000 0.536 537 F N 2.605 122.491 119.950 -0.107 0.000 2.472 537 F HA 0.125 4.653 4.527 0.001 0.000 0.364 537 F C 1.252 177.110 175.800 0.096 0.000 1.090 537 F CA -0.266 57.795 58.000 0.101 0.000 1.188 537 F CB 0.734 39.762 39.000 0.047 0.000 1.105 537 F HN 0.419 nan 8.300 nan 0.000 0.536 538 N N 3.811 122.717 118.700 0.343 0.000 2.605 538 N HA 0.090 4.831 4.740 0.001 0.000 0.258 538 N C 0.690 176.292 175.510 0.154 0.000 1.156 538 N CA -0.170 52.940 53.050 0.100 0.000 1.008 538 N CB 0.595 39.018 38.487 -0.107 0.000 1.354 538 N HN 0.457 nan 8.380 nan 0.000 0.509 539 V N 2.085 122.101 119.914 0.170 0.000 2.346 539 V HA -0.042 4.078 4.120 0.001 0.000 0.244 539 V C 1.100 177.242 176.094 0.081 0.000 1.037 539 V CA 1.294 63.674 62.300 0.134 0.000 1.029 539 V CB -0.091 31.794 31.823 0.104 0.000 0.663 539 V HN 0.550 nan 8.190 nan 0.000 0.454 540 T N -1.605 112.999 114.554 0.082 0.000 2.858 540 T HA 0.291 4.641 4.350 0.001 0.000 0.285 540 T C 0.294 175.037 174.700 0.071 0.000 1.052 540 T CA -0.482 61.662 62.100 0.075 0.000 1.009 540 T CB 1.508 70.437 68.868 0.102 0.000 1.241 540 T HN 0.035 nan 8.240 nan 0.000 0.542 541 D N 0.681 121.118 120.400 0.062 0.000 2.310 541 D HA -0.039 4.602 4.640 0.001 0.000 0.212 541 D C 0.974 177.313 176.300 0.065 0.000 0.965 541 D CA 1.075 55.102 54.000 0.045 0.000 0.879 541 D CB 0.123 40.941 40.800 0.029 0.000 0.921 541 D HN 0.412 nan 8.370 nan 0.000 0.510 542 D N -0.598 119.876 120.400 0.123 0.000 2.431 542 D HA 0.034 4.674 4.640 0.001 0.000 0.227 542 D C 0.631 177.104 176.300 0.289 0.000 1.030 542 D CA -0.228 53.865 54.000 0.155 0.000 0.897 542 D CB 0.650 41.539 40.800 0.150 0.000 1.058 542 D HN 0.106 nan 8.370 nan 0.000 0.500 543 L N 1.840 123.234 121.223 0.285 0.000 2.275 543 L HA 0.347 4.688 4.340 0.001 0.000 0.288 543 L C -0.677 176.292 176.870 0.165 0.000 1.046 543 L CA -0.218 54.769 54.840 0.246 0.000 0.805 543 L CB 0.806 42.945 42.059 0.133 0.000 1.193 543 L HN -0.207 nan 8.230 nan 0.000 0.426 544 N N 5.093 123.896 118.700 0.172 0.000 2.399 544 N HA 0.335 5.076 4.740 0.001 0.000 0.284 544 N C -1.567 174.020 175.510 0.127 0.000 1.025 544 N CA -0.587 52.526 53.050 0.104 0.000 0.885 544 N CB 2.304 40.820 38.487 0.049 0.000 1.339 544 N HN 0.400 nan 8.380 nan 0.000 0.487 545 L N 3.053 124.353 121.223 0.128 0.000 2.275 545 L HA 0.516 4.856 4.340 0.001 0.000 0.288 545 L C -1.121 175.823 176.870 0.123 0.000 1.046 545 L CA -0.236 54.735 54.840 0.218 0.000 0.805 545 L CB 0.346 42.579 42.059 0.290 0.000 1.193 545 L HN 0.357 nan 8.230 nan 0.000 0.426 546 F N 5.845 125.941 119.950 0.243 0.000 2.388 546 F HA 0.545 5.073 4.527 0.001 0.000 0.358 546 F C -0.339 175.627 175.800 0.277 0.000 1.122 546 F CA -0.287 57.857 58.000 0.240 0.000 1.056 546 F CB 0.985 40.163 39.000 0.298 0.000 1.155 546 F HN 0.188 nan 8.300 nan 0.000 0.461 547 L N 3.336 124.795 121.223 0.394 0.000 2.409 547 L HA 0.908 5.249 4.340 0.001 0.000 0.272 547 L C 0.019 177.073 176.870 0.306 0.000 0.980 547 L CA -0.423 54.641 54.840 0.373 0.000 0.826 547 L CB 2.006 44.309 42.059 0.406 0.000 1.268 547 L HN 0.764 nan 8.230 nan 0.000 0.407 548 G N 1.181 110.181 108.800 0.334 0.000 2.489 548 G HA2 0.744 4.705 3.960 0.001 0.000 0.305 548 G HA3 0.744 4.705 3.960 0.001 0.000 0.305 548 G C -1.329 173.721 174.900 0.251 0.000 1.311 548 G CA -0.017 45.233 45.100 0.250 0.000 0.813 548 G HN 0.884 nan 8.290 nan 0.000 0.480 549 G N -1.202 107.696 108.800 0.164 0.000 2.355 549 G HA2 0.586 4.546 3.960 0.001 0.000 0.296 549 G HA3 0.586 4.546 3.960 0.001 0.000 0.296 549 G C -1.814 173.128 174.900 0.070 0.000 1.507 549 G CA -0.637 44.470 45.100 0.013 0.000 0.823 549 G HN 0.631 nan 8.290 nan 0.000 0.569 550 R N -0.120 120.336 120.500 -0.073 0.000 2.561 550 R HA 0.667 5.007 4.340 0.001 0.000 0.297 550 R C -0.289 176.082 176.300 0.119 0.000 0.969 550 R CA -0.661 55.487 56.100 0.080 0.000 0.879 550 R CB 1.981 32.292 30.300 0.019 0.000 1.178 550 R HN 1.015 nan 8.270 nan 0.000 0.445 551 V N 1.807 121.854 119.914 0.220 0.000 2.539 551 V HA 0.704 4.825 4.120 0.001 0.000 0.292 551 V C -0.695 175.512 176.094 0.188 0.000 1.045 551 V CA -0.426 62.017 62.300 0.237 0.000 0.945 551 V CB 1.769 33.733 31.823 0.234 0.000 0.993 551 V HN 0.423 nan 8.190 nan 0.000 0.464 552 V N 3.900 123.943 119.914 0.214 0.000 2.588 552 V HA 0.513 4.633 4.120 0.001 0.000 0.304 552 V C -0.764 175.460 176.094 0.217 0.000 1.042 552 V CA -0.379 62.056 62.300 0.224 0.000 0.877 552 V CB 1.692 33.706 31.823 0.318 0.000 0.996 552 V HN 1.057 nan 8.190 nan 0.000 0.425 553 D N 2.669 123.167 120.400 0.165 0.000 2.344 553 D HA 0.358 4.998 4.640 0.001 0.000 0.239 553 D C -1.745 174.656 176.300 0.168 0.000 1.064 553 D CA -0.184 53.902 54.000 0.143 0.000 0.829 553 D CB 1.695 42.539 40.800 0.073 0.000 1.129 553 D HN 0.531 nan 8.370 nan 0.000 0.506 554 Y N 3.081 123.419 120.300 0.063 0.000 2.361 554 Y HA 0.406 4.957 4.550 0.001 0.000 0.337 554 Y C -0.785 175.130 175.900 0.026 0.000 0.965 554 Y CA -0.883 57.238 58.100 0.035 0.000 1.091 554 Y CB 1.337 39.843 38.460 0.076 0.000 1.182 554 Y HN 0.319 nan 8.280 nan 0.000 0.450 555 R N 4.982 125.308 120.500 -0.290 0.000 2.538 555 R HA 0.679 5.019 4.340 0.001 0.000 0.292 555 R C -2.302 173.852 176.300 -0.243 0.000 1.008 555 R CA -0.824 55.191 56.100 -0.142 0.000 0.896 555 R CB 1.802 32.055 30.300 -0.079 0.000 1.187 555 R HN 0.533 nan 8.270 nan 0.000 0.440 556 V N 4.370 124.244 119.914 -0.066 0.000 2.409 556 V HA 0.527 4.648 4.120 0.001 0.000 0.290 556 V C -0.521 175.601 176.094 0.046 0.000 1.017 556 V CA -0.072 62.221 62.300 -0.012 0.000 0.841 556 V CB 1.576 33.430 31.823 0.052 0.000 1.003 556 V HN 0.926 nan 8.190 nan 0.000 0.426 557 T N 3.624 118.202 114.554 0.040 0.000 2.934 557 T HA 0.983 5.334 4.350 0.001 0.000 0.283 557 T C 0.418 175.156 174.700 0.063 0.000 1.005 557 T CA 0.280 62.407 62.100 0.045 0.000 1.041 557 T CB 1.684 70.566 68.868 0.022 0.000 1.042 557 T HN 1.779 nan 8.240 nan 0.000 0.505 558 G N 0.452 109.285 108.800 0.055 0.000 2.566 558 G HA2 0.270 4.231 3.960 0.001 0.000 0.138 558 G HA3 0.270 4.231 3.960 0.001 0.000 0.138 558 G C 0.024 174.951 174.900 0.046 0.000 1.133 558 G CA -0.076 45.057 45.100 0.054 0.000 1.037 558 G HN 1.004 nan 8.290 nan 0.000 0.491 559 L N 0.820 122.076 121.223 0.055 0.000 2.209 559 L HA 0.459 4.800 4.340 0.001 0.000 0.207 559 L C 0.652 177.564 176.870 0.070 0.000 1.094 559 L CA 0.809 55.681 54.840 0.054 0.000 0.790 559 L CB -0.420 41.672 42.059 0.055 0.000 0.932 559 L HN 0.380 nan 8.230 nan 0.000 0.447 560 N N 0.320 119.073 118.700 0.088 0.000 2.476 560 N HA 0.296 5.037 4.740 0.001 0.000 0.275 560 N C -2.391 173.165 175.510 0.076 0.000 1.190 560 N CA -1.519 51.587 53.050 0.092 0.000 0.977 560 N CB -0.038 38.518 38.487 0.116 0.000 1.200 560 N HN -0.062 nan 8.380 nan 0.000 0.515 561 P HA -0.051 nan 4.420 nan 0.000 0.263 561 P C -0.383 176.953 177.300 0.060 0.000 1.168 561 P CA 0.568 63.704 63.100 0.060 0.000 0.759 561 P CB 0.050 31.786 31.700 0.059 0.000 0.782 562 T N 4.249 118.835 114.554 0.054 0.000 2.867 562 T HA 0.147 4.498 4.350 0.001 0.000 0.297 562 T C 0.737 175.474 174.700 0.061 0.000 0.989 562 T CA 0.222 62.355 62.100 0.055 0.000 1.159 562 T CB -0.315 68.580 68.868 0.045 0.000 0.928 562 T HN 0.183 nan 8.240 nan 0.000 0.538 563 I N 4.414 125.030 120.570 0.076 0.000 2.325 563 I HA 0.354 4.524 4.170 0.001 0.000 0.291 563 I C 0.740 176.927 176.117 0.118 0.000 1.019 563 I CA -0.278 61.080 61.300 0.096 0.000 1.302 563 I CB 0.504 38.577 38.000 0.122 0.000 1.401 563 I HN 0.198 nan 8.210 nan 0.000 0.485 564 R N 5.914 126.478 120.500 0.106 0.000 2.500 564 R HA 0.362 4.703 4.340 0.001 0.000 0.299 564 R C -1.273 175.093 176.300 0.111 0.000 1.038 564 R CA -0.547 55.617 56.100 0.106 0.000 0.903 564 R CB 1.716 32.056 30.300 0.066 0.000 1.177 564 R HN 0.526 nan 8.270 nan 0.000 0.455 565 E N 1.471 121.770 120.200 0.165 0.000 2.176 565 E HA 0.358 4.709 4.350 0.001 0.000 0.267 565 E C -0.932 175.744 176.600 0.127 0.000 0.893 565 E CA -0.419 56.056 56.400 0.126 0.000 0.761 565 E CB 2.482 32.271 29.700 0.149 0.000 1.133 565 E HN 0.307 nan 8.360 nan 0.000 0.409 566 S N 0.063 115.803 115.700 0.067 0.000 2.521 566 S HA 0.534 5.004 4.470 0.001 0.000 0.295 566 S C 0.447 175.077 174.600 0.049 0.000 1.098 566 S CA -0.031 58.209 58.200 0.067 0.000 0.999 566 S CB 1.609 64.839 63.200 0.050 0.000 1.034 566 S HN 0.748 nan 8.310 nan 0.000 0.483 567 G N 3.039 111.883 108.800 0.074 0.000 2.283 567 G HA2 -0.235 3.726 3.960 0.001 0.000 0.280 567 G HA3 -0.235 3.726 3.960 0.001 0.000 0.280 567 G C -0.021 174.924 174.900 0.075 0.000 1.029 567 G CA 0.125 45.272 45.100 0.077 0.000 0.840 567 G HN 0.605 nan 8.290 nan 0.000 0.505 568 R N -0.887 119.647 120.500 0.057 0.000 2.389 568 R HA 0.386 4.726 4.340 0.001 0.000 0.295 568 R C -0.319 176.071 176.300 0.150 0.000 1.075 568 R CA -0.481 55.600 56.100 -0.032 0.000 1.005 568 R CB 0.607 30.657 30.300 -0.418 0.000 0.987 568 R HN 0.202 nan 8.270 nan 0.000 0.452 569 F N 4.475 124.419 119.950 -0.011 0.000 2.410 569 F HA 0.383 4.911 4.527 0.001 0.000 0.349 569 F C -0.241 175.609 175.800 0.083 0.000 1.117 569 F CA -0.882 57.151 58.000 0.055 0.000 1.104 569 F CB 0.702 39.727 39.000 0.042 0.000 1.122 569 F HN 0.347 nan 8.300 nan 0.000 0.483 570 I N 8.939 129.193 120.570 -0.527 0.000 2.359 570 I HA 0.291 4.462 4.170 0.001 0.000 0.284 570 I C -2.256 173.349 176.117 -0.854 0.000 1.018 570 I CA -2.069 58.958 61.300 -0.454 0.000 1.173 570 I CB 1.271 39.161 38.000 -0.184 0.000 1.326 570 I HN 0.405 nan 8.210 nan 0.000 0.462 571 P HA 0.084 nan 4.420 nan 0.000 0.278 571 P C -1.424 175.824 177.300 -0.087 0.000 1.238 571 P CA -0.158 62.748 63.100 -0.325 0.000 0.794 571 P CB 0.868 32.655 31.700 0.145 0.000 0.955 572 Y N 2.545 122.804 120.300 -0.067 0.000 2.349 572 Y HA 0.413 4.964 4.550 0.001 0.000 0.324 572 Y C -1.281 174.689 175.900 0.115 0.000 1.005 572 Y CA -0.630 57.455 58.100 -0.024 0.000 1.240 572 Y CB 1.255 39.684 38.460 -0.052 0.000 1.117 572 Y HN 0.054 nan 8.280 nan 0.000 0.463 573 V N 5.522 125.423 119.914 -0.022 0.000 2.487 573 V HA 0.889 5.009 4.120 0.001 0.000 0.298 573 V C 0.038 176.097 176.094 -0.058 0.000 1.028 573 V CA -0.257 62.101 62.300 0.097 0.000 0.860 573 V CB 1.409 33.334 31.823 0.171 0.000 0.991 573 V HN 0.899 nan 8.190 nan 0.000 0.427 574 G N 2.893 111.758 108.800 0.109 0.000 2.690 574 G HA2 0.900 4.861 3.960 0.001 0.000 0.291 574 G HA3 0.900 4.861 3.960 0.001 0.000 0.291 574 G C -1.396 173.716 174.900 0.354 0.000 1.403 574 G CA -0.249 44.919 45.100 0.114 0.000 0.864 574 G HN 1.193 nan 8.290 nan 0.000 0.480 575 A N -0.742 122.279 122.820 0.335 0.000 2.540 575 A HA 0.758 5.078 4.320 0.001 0.000 0.297 575 A C -1.563 176.236 177.584 0.360 0.000 1.056 575 A CA -0.403 51.847 52.037 0.355 0.000 0.700 575 A CB 1.813 20.949 19.000 0.227 0.000 1.280 575 A HN 2.108 nan 8.150 nan 0.000 0.398 576 V N 2.953 123.093 119.914 0.378 0.000 2.577 576 V HA 0.765 4.886 4.120 0.001 0.000 0.303 576 V C -2.098 174.202 176.094 0.343 0.000 1.042 576 V CA -0.557 61.956 62.300 0.355 0.000 0.872 576 V CB 1.698 33.717 31.823 0.328 0.000 0.998 576 V HN 1.196 nan 8.190 nan 0.000 0.423 577 Y N 5.248 125.645 120.300 0.163 0.000 2.326 577 Y HA 0.604 5.155 4.550 0.001 0.000 0.331 577 Y C -0.159 175.805 175.900 0.107 0.000 0.962 577 Y CA -1.476 56.695 58.100 0.118 0.000 1.167 577 Y CB 1.245 39.765 38.460 0.100 0.000 1.148 577 Y HN 0.741 nan 8.280 nan 0.000 0.463 578 D N 6.388 126.708 120.400 -0.133 0.000 2.390 578 D HA 0.133 4.773 4.640 0.001 0.000 0.249 578 D C 0.888 176.900 176.300 -0.480 0.000 1.144 578 D CA 0.320 54.192 54.000 -0.213 0.000 0.880 578 D CB 1.523 42.264 40.800 -0.099 0.000 1.182 578 D HN 0.717 nan 8.370 nan 0.000 0.451 579 L N 1.782 122.841 121.223 -0.273 0.000 2.316 579 L HA 0.039 4.380 4.340 0.001 0.000 0.207 579 L C 0.659 177.458 176.870 -0.117 0.000 1.070 579 L CA 0.512 55.211 54.840 -0.235 0.000 0.820 579 L CB -0.167 41.840 42.059 -0.087 0.000 0.992 579 L HN 0.445 nan 8.230 nan 0.000 0.466 580 N N -3.491 115.172 118.700 -0.062 0.000 3.588 580 N HA 0.071 4.812 4.740 0.001 0.000 0.340 580 N C -0.233 175.243 175.510 -0.057 0.000 1.609 580 N CA -0.578 52.449 53.050 -0.038 0.000 0.811 580 N CB -0.035 38.456 38.487 0.007 0.000 2.184 580 N HN -0.318 nan 8.380 nan 0.000 0.577 581 D N -0.918 119.446 120.400 -0.061 0.000 2.269 581 D HA 0.013 4.653 4.640 0.001 0.000 0.208 581 D C 0.611 176.810 176.300 -0.168 0.000 0.963 581 D CA 1.403 55.349 54.000 -0.090 0.000 0.864 581 D CB -0.072 40.687 40.800 -0.068 0.000 0.936 581 D HN 0.556 nan 8.370 nan 0.000 0.505 582 T N -0.704 113.711 114.554 -0.233 0.000 3.044 582 T HA 0.040 4.390 4.350 0.001 0.000 0.237 582 T C 0.372 174.708 174.700 -0.607 0.000 1.001 582 T CA 0.331 62.111 62.100 -0.534 0.000 1.160 582 T CB 0.186 68.614 68.868 -0.733 0.000 0.889 582 T HN -0.025 nan 8.240 nan 0.000 0.442 583 Y N 1.383 121.599 120.300 -0.139 0.000 2.419 583 Y HA 0.638 5.188 4.550 0.001 0.000 0.328 583 Y C 0.134 175.992 175.900 -0.070 0.000 1.162 583 Y CA -1.002 57.042 58.100 -0.093 0.000 1.174 583 Y CB 1.478 39.908 38.460 -0.051 0.000 1.228 583 Y HN -0.056 nan 8.280 nan 0.000 0.473 584 S N 1.252 117.043 115.700 0.152 0.000 2.571 584 S HA 0.544 5.015 4.470 0.001 0.000 0.284 584 S C -0.878 173.844 174.600 0.202 0.000 1.128 584 S CA -1.032 57.238 58.200 0.117 0.000 0.970 584 S CB 1.214 64.475 63.200 0.103 0.000 1.039 584 S HN 0.499 nan 8.310 nan 0.000 0.485 585 V N 1.800 121.823 119.914 0.181 0.000 2.834 585 V HA 0.767 4.888 4.120 0.001 0.000 0.301 585 V C -0.602 175.676 176.094 0.306 0.000 1.066 585 V CA -0.515 61.908 62.300 0.205 0.000 1.052 585 V CB -0.196 31.724 31.823 0.162 0.000 1.021 585 V HN 0.927 nan 8.190 nan 0.000 0.480 586 Y N 0.709 121.091 120.300 0.136 0.000 2.588 586 Y HA 0.944 5.495 4.550 0.001 0.000 0.343 586 Y C -0.585 175.381 175.900 0.110 0.000 1.065 586 Y CA -0.961 57.216 58.100 0.129 0.000 1.038 586 Y CB 1.533 40.054 38.460 0.102 0.000 1.297 586 Y HN 1.091 nan 8.280 nan 0.000 0.467 587 A N 1.886 124.796 122.820 0.149 0.000 2.547 587 A HA 0.848 5.169 4.320 0.001 0.000 0.297 587 A C -1.169 176.490 177.584 0.125 0.000 1.056 587 A CA -0.095 51.973 52.037 0.052 0.000 0.688 587 A CB 1.275 20.303 19.000 0.047 0.000 1.282 587 A HN 1.690 nan 8.150 nan 0.000 0.400 588 S N 0.457 116.203 115.700 0.077 0.000 2.570 588 S HA 0.728 5.198 4.470 0.001 0.000 0.270 588 S C -1.417 173.168 174.600 -0.025 0.000 1.149 588 S CA -0.607 57.585 58.200 -0.014 0.000 0.837 588 S CB 1.407 64.523 63.200 -0.140 0.000 1.124 588 S HN 1.628 nan 8.310 nan 0.000 0.465 589 Y N 1.866 122.008 120.300 -0.264 0.000 2.326 589 Y HA 0.635 5.186 4.550 0.001 0.000 0.331 589 Y C -0.523 175.135 175.900 -0.403 0.000 0.962 589 Y CA -0.098 57.786 58.100 -0.359 0.000 1.167 589 Y CB 1.614 39.912 38.460 -0.270 0.000 1.148 589 Y HN 1.076 nan 8.280 nan 0.000 0.463 590 T N 2.162 116.264 114.554 -0.753 0.000 2.893 590 T HA 0.535 4.886 4.350 0.001 0.000 0.293 590 T C -1.418 172.889 174.700 -0.655 0.000 1.027 590 T CA -0.830 60.898 62.100 -0.619 0.000 0.988 590 T CB 2.251 70.880 68.868 -0.397 0.000 1.043 590 T HN 0.614 nan 8.240 nan 0.000 0.461 591 D N 0.452 120.562 120.400 -0.483 0.000 2.419 591 D HA 0.778 5.418 4.640 0.001 0.000 0.234 591 D C -1.246 174.906 176.300 -0.248 0.000 1.014 591 D CA -0.740 53.029 54.000 -0.386 0.000 0.919 591 D CB 1.890 42.482 40.800 -0.347 0.000 1.366 591 D HN 0.761 nan 8.370 nan 0.000 0.490 592 I N 2.147 122.601 120.570 -0.194 0.000 2.918 592 I HA 0.536 4.707 4.170 0.001 0.000 0.301 592 I C -1.686 174.393 176.117 -0.064 0.000 1.312 592 I CA -0.767 60.425 61.300 -0.180 0.000 1.007 592 I CB 1.297 39.136 38.000 -0.268 0.000 1.281 592 I HN 0.477 nan 8.210 nan 0.000 0.440 593 F N 4.982 124.807 119.950 -0.209 0.000 2.650 593 F HA 0.892 5.419 4.527 0.001 0.000 0.320 593 F C -1.299 174.356 175.800 -0.241 0.000 1.091 593 F CA -1.186 56.693 58.000 -0.202 0.000 0.962 593 F CB 1.690 40.591 39.000 -0.165 0.000 1.363 593 F HN 0.352 nan 8.300 nan 0.000 0.482 594 M N 2.697 122.238 119.600 -0.098 0.000 2.182 594 M HA 0.523 5.004 4.480 0.001 0.000 0.266 594 M C -3.065 173.151 176.300 -0.139 0.000 0.989 594 M CA -2.465 52.673 55.300 -0.269 0.000 1.003 594 M CB 1.924 34.378 32.600 -0.244 0.000 1.812 594 M HN 0.291 nan 8.290 nan 0.000 0.472 595 P HA 0.015 nan 4.420 nan 0.000 0.258 595 P C -0.988 176.240 177.300 -0.121 0.000 1.172 595 P CA 0.308 63.322 63.100 -0.143 0.000 0.762 595 P CB 0.335 31.899 31.700 -0.227 0.000 0.764 596 Q N 2.932 122.689 119.800 -0.073 0.000 2.428 596 Q HA -0.004 4.336 4.340 0.001 0.000 0.276 596 Q C 0.224 176.123 176.000 -0.168 0.000 1.059 596 Q CA 0.633 56.393 55.803 -0.072 0.000 0.923 596 Q CB 0.137 28.860 28.738 -0.025 0.000 1.283 596 Q HN 0.403 nan 8.270 nan 0.000 0.447 597 D N 0.277 120.490 120.400 -0.313 0.000 2.419 597 D HA -0.095 4.546 4.640 0.001 0.000 0.236 597 D C 0.712 176.540 176.300 -0.787 0.000 1.165 597 D CA 0.319 53.845 54.000 -0.789 0.000 0.882 597 D CB 0.937 40.712 40.800 -1.709 0.000 1.201 597 D HN 0.642 nan 8.370 nan 0.000 0.443 598 S N 1.357 116.678 115.700 -0.632 0.000 2.383 598 S HA -0.174 4.296 4.470 0.001 0.000 0.229 598 S C 1.712 176.217 174.600 -0.158 0.000 1.030 598 S CA 1.518 59.587 58.200 -0.219 0.000 1.002 598 S CB -0.271 62.951 63.200 0.036 0.000 0.829 598 S HN 0.635 nan 8.310 nan 0.000 0.467 599 W N -0.176 121.017 121.300 -0.178 0.000 2.584 599 W HA 0.280 4.941 4.660 0.001 0.000 0.264 599 W C -0.148 176.283 176.519 -0.146 0.000 1.264 599 W CA -0.478 56.777 57.345 -0.150 0.000 1.306 599 W CB -0.925 28.428 29.460 -0.177 0.000 1.110 599 W HN 0.088 nan 8.180 nan 0.000 0.606 600 Y N 3.665 123.726 120.300 -0.398 0.000 2.644 600 Y HA 0.296 4.847 4.550 0.001 0.000 0.354 600 Y C 0.497 176.336 175.900 -0.102 0.000 1.166 600 Y CA -0.832 56.992 58.100 -0.460 0.000 1.591 600 Y CB -0.784 37.350 38.460 -0.543 0.000 1.346 600 Y HN -0.020 nan 8.280 nan 0.000 0.497 601 R N 1.115 121.778 120.500 0.272 0.000 2.807 601 R HA 0.362 4.703 4.340 0.001 0.000 0.276 601 R C -0.588 175.821 176.300 0.182 0.000 0.979 601 R CA -1.192 55.019 56.100 0.186 0.000 0.928 601 R CB 1.605 31.997 30.300 0.153 0.000 1.191 601 R HN 0.442 nan 8.270 nan 0.000 0.471 602 D N 0.128 120.565 120.400 0.062 0.000 2.447 602 D HA 0.094 4.735 4.640 0.001 0.000 0.265 602 D C 0.549 176.751 176.300 -0.163 0.000 1.250 602 D CA -0.515 53.465 54.000 -0.034 0.000 1.046 602 D CB 0.310 41.085 40.800 -0.042 0.000 1.095 602 D HN 0.233 nan 8.370 nan 0.000 0.555 603 S N -0.890 114.609 115.700 -0.334 0.000 2.378 603 S HA -0.202 4.268 4.470 0.001 0.000 0.229 603 S C 1.741 176.167 174.600 -0.290 0.000 1.052 603 S CA 1.828 59.682 58.200 -0.578 0.000 1.084 603 S CB -0.621 62.312 63.200 -0.444 0.000 0.950 603 S HN 0.564 nan 8.310 nan 0.000 0.440 604 S N 1.285 116.900 115.700 -0.141 0.000 2.650 604 S HA 0.128 4.599 4.470 0.001 0.000 0.219 604 S C 0.771 175.358 174.600 -0.021 0.000 0.960 604 S CA 0.269 58.434 58.200 -0.057 0.000 0.925 604 S CB -0.341 62.839 63.200 -0.033 0.000 0.775 604 S HN 0.556 nan 8.310 nan 0.000 0.525 605 N N 1.064 119.751 118.700 -0.022 0.000 2.800 605 N HA -0.170 4.570 4.740 0.001 0.000 0.250 605 N C -0.756 174.774 175.510 0.033 0.000 1.078 605 N CA 0.851 53.917 53.050 0.026 0.000 0.804 605 N CB -1.366 37.148 38.487 0.046 0.000 1.135 605 N HN 0.501 nan 8.380 nan 0.000 0.565 606 K N 0.308 120.718 120.400 0.017 0.000 2.174 606 K HA 0.298 4.619 4.320 0.001 0.000 0.275 606 K C 0.238 176.856 176.600 0.030 0.000 1.015 606 K CA -0.882 55.417 56.287 0.021 0.000 0.933 606 K CB 1.030 33.536 32.500 0.009 0.000 1.025 606 K HN 0.124 nan 8.250 nan 0.000 0.463 607 L N 3.287 124.529 121.223 0.032 0.000 2.529 607 L HA -0.021 4.320 4.340 0.001 0.000 0.287 607 L C -0.350 176.532 176.870 0.019 0.000 1.241 607 L CA 0.595 55.452 54.840 0.029 0.000 0.857 607 L CB 0.230 42.301 42.059 0.019 0.000 1.113 607 L HN 0.480 nan 8.230 nan 0.000 0.504 608 L N 2.975 124.210 121.223 0.020 0.000 2.439 608 L HA 0.104 4.445 4.340 0.001 0.000 0.269 608 L C 0.591 177.455 176.870 -0.011 0.000 1.179 608 L CA -0.379 54.464 54.840 0.005 0.000 0.828 608 L CB 0.538 42.595 42.059 -0.004 0.000 1.106 608 L HN 0.655 nan 8.230 nan 0.000 0.467 609 E N 3.470 123.660 120.200 -0.018 0.000 2.481 609 E HA 0.018 4.368 4.350 0.001 0.000 0.263 609 E C -2.252 174.329 176.600 -0.032 0.000 0.992 609 E CA -0.886 55.496 56.400 -0.029 0.000 0.938 609 E CB 0.402 30.083 29.700 -0.032 0.000 0.933 609 E HN 0.194 nan 8.360 nan 0.000 0.453 610 P HA -0.116 nan 4.420 nan 0.000 0.264 610 P C -0.786 176.510 177.300 -0.007 0.000 1.179 610 P CA 0.343 63.439 63.100 -0.007 0.000 0.763 610 P CB 0.424 32.152 31.700 0.046 0.000 0.806 611 D N 2.589 122.977 120.400 -0.020 0.000 2.383 611 D HA 0.089 4.730 4.640 0.001 0.000 0.252 611 D C -0.274 176.009 176.300 -0.028 0.000 1.166 611 D CA 0.595 54.573 54.000 -0.037 0.000 0.879 611 D CB 0.365 41.128 40.800 -0.061 0.000 1.164 611 D HN 0.324 nan 8.370 nan 0.000 0.462 612 E N 1.736 121.916 120.200 -0.034 0.000 2.392 612 E HA 0.652 5.003 4.350 0.001 0.000 0.279 612 E C -1.302 175.261 176.600 -0.063 0.000 0.964 612 E CA -0.964 55.426 56.400 -0.017 0.000 0.777 612 E CB 1.731 31.443 29.700 0.019 0.000 1.249 612 E HN 0.477 nan 8.360 nan 0.000 0.449 613 G N 1.629 110.369 108.800 -0.099 0.000 2.673 613 G HA2 0.463 4.423 3.960 0.001 0.000 0.292 613 G HA3 0.463 4.423 3.960 0.001 0.000 0.292 613 G C -1.807 173.002 174.900 -0.152 0.000 1.450 613 G CA -0.635 44.404 45.100 -0.101 0.000 0.837 613 G HN 0.312 nan 8.290 nan 0.000 0.505 614 Q N -0.207 119.526 119.800 -0.111 0.000 2.337 614 Q HA 0.499 4.840 4.340 0.001 0.000 0.266 614 Q C -0.462 175.383 176.000 -0.259 0.000 1.023 614 Q CA -0.761 54.846 55.803 -0.326 0.000 0.829 614 Q CB 2.298 30.799 28.738 -0.394 0.000 1.306 614 Q HN 0.619 nan 8.270 nan 0.000 0.449 615 N N 1.190 119.651 118.700 -0.398 0.000 2.444 615 N HA 0.354 5.095 4.740 0.001 0.000 0.262 615 N C -1.655 173.671 175.510 -0.307 0.000 0.974 615 N CA -0.298 52.622 53.050 -0.216 0.000 0.933 615 N CB 0.556 38.930 38.487 -0.189 0.000 1.137 615 N HN 0.399 nan 8.380 nan 0.000 0.498 616 Y N 1.591 121.882 120.300 -0.015 0.000 2.328 616 Y HA 0.396 4.946 4.550 0.001 0.000 0.337 616 Y C 0.153 176.057 175.900 0.008 0.000 1.008 616 Y CA -0.675 57.432 58.100 0.011 0.000 1.129 616 Y CB 1.373 39.822 38.460 -0.019 0.000 1.185 616 Y HN 0.457 nan 8.280 nan 0.000 0.476 617 E N 3.770 124.054 120.200 0.140 0.000 2.291 617 E HA 0.507 4.858 4.350 0.001 0.000 0.276 617 E C -1.831 174.771 176.600 0.004 0.000 0.896 617 E CA -0.547 55.911 56.400 0.097 0.000 0.774 617 E CB 1.994 31.776 29.700 0.136 0.000 1.227 617 E HN 0.720 nan 8.360 nan 0.000 0.413 618 I N 2.872 123.426 120.570 -0.027 0.000 2.693 618 I HA 0.835 5.005 4.170 0.001 0.000 0.303 618 I C -0.144 175.798 176.117 -0.291 0.000 1.025 618 I CA -0.237 60.961 61.300 -0.170 0.000 1.086 618 I CB 1.855 39.843 38.000 -0.020 0.000 1.268 618 I HN 0.675 nan 8.210 nan 0.000 0.440 619 G N 5.669 114.137 108.800 -0.553 0.000 2.441 619 G HA2 0.423 4.384 3.960 0.001 0.000 0.294 619 G HA3 0.423 4.384 3.960 0.001 0.000 0.294 619 G C -2.276 172.506 174.900 -0.197 0.000 1.393 619 G CA -0.566 44.297 45.100 -0.394 0.000 0.796 619 G HN 0.673 nan 8.290 nan 0.000 0.494 620 I N -0.336 120.310 120.570 0.127 0.000 2.582 620 I HA 0.694 4.864 4.170 0.001 0.000 0.292 620 I C -1.073 175.248 176.117 0.339 0.000 1.066 620 I CA -0.936 60.503 61.300 0.231 0.000 1.053 620 I CB 1.913 39.981 38.000 0.114 0.000 1.241 620 I HN 0.397 nan 8.210 nan 0.000 0.421 621 K N 5.284 125.885 120.400 0.335 0.000 2.426 621 K HA 0.608 4.928 4.320 0.001 0.000 0.254 621 K C -0.536 176.162 176.600 0.164 0.000 0.936 621 K CA -0.743 55.686 56.287 0.237 0.000 0.801 621 K CB 2.157 34.736 32.500 0.132 0.000 1.139 621 K HN 0.743 nan 8.250 nan 0.000 0.424 622 G N 1.505 110.361 108.800 0.093 0.000 2.434 622 G HA2 0.438 4.399 3.960 0.001 0.000 0.330 622 G HA3 0.438 4.399 3.960 0.001 0.000 0.330 622 G C -1.223 173.398 174.900 -0.465 0.000 1.155 622 G CA -0.228 44.660 45.100 -0.353 0.000 0.917 622 G HN 0.573 nan 8.290 nan 0.000 0.493 623 E N -0.264 119.431 120.200 -0.842 0.000 2.278 623 E HA 0.541 4.891 4.350 0.001 0.000 0.272 623 E C -1.674 174.495 176.600 -0.718 0.000 0.890 623 E CA -0.648 55.429 56.400 -0.539 0.000 0.770 623 E CB 1.586 31.120 29.700 -0.276 0.000 1.212 623 E HN 0.470 nan 8.360 nan 0.000 0.415 624 Y N 2.756 122.991 120.300 -0.107 0.000 2.545 624 Y HA 0.428 4.978 4.550 0.001 0.000 0.348 624 Y C -0.026 175.838 175.900 -0.061 0.000 1.002 624 Y CA -1.395 56.649 58.100 -0.094 0.000 1.039 624 Y CB 1.371 39.778 38.460 -0.089 0.000 1.271 624 Y HN 0.465 nan 8.280 nan 0.000 0.467 625 L N 3.060 124.344 121.223 0.102 0.000 3.713 625 L HA -0.337 4.003 4.340 0.001 0.000 0.499 625 L C -0.455 176.431 176.870 0.027 0.000 1.281 625 L CA 0.679 55.551 54.840 0.053 0.000 0.796 625 L CB -1.289 40.802 42.059 0.052 0.000 1.535 625 L HN 0.853 nan 8.230 nan 0.000 0.851 626 D N -0.514 119.889 120.400 0.005 0.000 3.070 626 D HA -0.237 4.404 4.640 0.001 0.000 0.220 626 D C 1.300 177.597 176.300 -0.006 0.000 1.176 626 D CA 2.185 56.181 54.000 -0.006 0.000 0.924 626 D CB -0.997 39.803 40.800 0.000 0.000 1.124 626 D HN 1.141 nan 8.370 nan 0.000 0.411 627 G N -0.639 108.159 108.800 -0.002 0.000 2.163 627 G HA2 -0.342 3.618 3.960 0.001 0.000 0.213 627 G HA3 -0.342 3.618 3.960 0.001 0.000 0.213 627 G C 0.934 175.846 174.900 0.021 0.000 0.991 627 G CA 0.472 45.573 45.100 0.002 0.000 0.653 627 G HN 0.435 nan 8.290 nan 0.000 0.518 628 R N -1.119 119.399 120.500 0.030 0.000 2.193 628 R HA 0.407 4.747 4.340 0.001 0.000 0.213 628 R C 0.740 177.063 176.300 0.038 0.000 1.055 628 R CA 0.942 57.059 56.100 0.028 0.000 0.995 628 R CB 0.148 30.459 30.300 0.019 0.000 0.893 628 R HN 0.413 nan 8.270 nan 0.000 0.459 629 L N 0.173 121.441 121.223 0.076 0.000 2.410 629 L HA 0.387 4.728 4.340 0.001 0.000 0.270 629 L C -1.637 175.350 176.870 0.196 0.000 0.983 629 L CA -0.475 54.429 54.840 0.106 0.000 0.822 629 L CB 2.181 44.278 42.059 0.064 0.000 1.285 629 L HN -0.091 nan 8.230 nan 0.000 0.409 630 N N 1.357 120.149 118.700 0.152 0.000 2.258 630 N HA 0.796 5.537 4.740 0.001 0.000 0.299 630 N C -1.368 174.253 175.510 0.186 0.000 1.047 630 N CA -0.614 52.525 53.050 0.148 0.000 0.814 630 N CB 2.098 40.627 38.487 0.070 0.000 1.413 630 N HN 0.697 nan 8.380 nan 0.000 0.478 631 T N -1.553 113.150 114.554 0.248 0.000 2.907 631 T HA 0.830 5.181 4.350 0.001 0.000 0.292 631 T C -0.536 174.287 174.700 0.205 0.000 1.043 631 T CA -0.792 61.452 62.100 0.239 0.000 1.003 631 T CB 1.459 70.530 68.868 0.339 0.000 1.084 631 T HN 0.423 nan 8.240 nan 0.000 0.483 632 S N 1.487 117.304 115.700 0.195 0.000 2.579 632 S HA 0.793 5.263 4.470 0.001 0.000 0.272 632 S C -1.403 173.331 174.600 0.223 0.000 1.141 632 S CA -1.010 57.319 58.200 0.216 0.000 0.843 632 S CB 1.815 65.128 63.200 0.188 0.000 1.122 632 S HN 1.100 nan 8.310 nan 0.000 0.468 633 L N 1.241 122.611 121.223 0.245 0.000 2.516 633 L HA 0.805 5.145 4.340 0.001 0.000 0.267 633 L C -1.259 175.757 176.870 0.242 0.000 0.957 633 L CA -0.448 54.529 54.840 0.228 0.000 0.860 633 L CB 1.621 43.778 42.059 0.163 0.000 1.265 633 L HN 1.202 nan 8.230 nan 0.000 0.403 634 A N 3.520 126.516 122.820 0.294 0.000 2.449 634 A HA 0.621 4.942 4.320 0.001 0.000 0.302 634 A C -2.209 175.596 177.584 0.369 0.000 1.048 634 A CA -0.398 51.813 52.037 0.290 0.000 0.708 634 A CB 1.519 20.737 19.000 0.365 0.000 1.274 634 A HN 0.627 nan 8.150 nan 0.000 0.410 635 Y N 2.537 122.920 120.300 0.138 0.000 2.342 635 Y HA 0.691 5.241 4.550 0.001 0.000 0.334 635 Y C -0.906 175.088 175.900 0.156 0.000 1.067 635 Y CA -1.531 56.623 58.100 0.089 0.000 1.128 635 Y CB 0.954 39.418 38.460 0.006 0.000 1.200 635 Y HN 0.733 nan 8.280 nan 0.000 0.464 636 F N 2.004 121.641 119.950 -0.522 0.000 2.643 636 F HA 0.767 5.295 4.527 0.001 0.000 0.314 636 F C -1.555 173.952 175.800 -0.488 0.000 1.096 636 F CA -1.354 56.417 58.000 -0.382 0.000 0.953 636 F CB 1.967 40.901 39.000 -0.110 0.000 1.345 636 F HN 0.451 nan 8.300 nan 0.000 0.468 637 E N 2.285 122.540 120.200 0.093 0.000 2.334 637 E HA 0.443 4.794 4.350 0.001 0.000 0.280 637 E C -1.834 174.999 176.600 0.388 0.000 0.899 637 E CA -0.426 56.064 56.400 0.149 0.000 0.813 637 E CB 1.717 31.448 29.700 0.052 0.000 1.318 637 E HN 0.745 nan 8.360 nan 0.000 0.399 638 I N 3.962 124.775 120.570 0.405 0.000 2.342 638 I HA 0.240 4.410 4.170 0.001 0.000 0.291 638 I C -0.044 176.357 176.117 0.472 0.000 1.010 638 I CA -0.450 61.078 61.300 0.379 0.000 1.308 638 I CB 0.873 39.081 38.000 0.346 0.000 1.400 638 I HN 0.427 nan 8.210 nan 0.000 0.488 639 H N 6.053 125.260 119.070 0.227 0.000 2.638 639 H HA 0.268 4.824 4.556 0.001 0.000 0.303 639 H C -0.607 174.799 175.328 0.131 0.000 1.034 639 H CA -0.522 55.647 56.048 0.201 0.000 1.225 639 H CB 1.527 31.456 29.762 0.278 0.000 1.394 639 H HN 0.583 nan 8.280 nan 0.000 0.477 640 E N 4.106 124.429 120.200 0.205 0.000 2.204 640 E HA 0.127 4.478 4.350 0.001 0.000 0.276 640 E C -0.706 175.952 176.600 0.096 0.000 0.974 640 E CA -0.797 55.679 56.400 0.126 0.000 0.815 640 E CB 1.155 30.971 29.700 0.193 0.000 1.119 640 E HN 0.657 nan 8.360 nan 0.000 0.393 641 E N 3.505 123.741 120.200 0.060 0.000 2.343 641 E HA 0.271 4.622 4.350 0.001 0.000 0.270 641 E C -0.536 176.073 176.600 0.014 0.000 0.895 641 E CA -0.953 55.472 56.400 0.041 0.000 0.767 641 E CB 1.003 30.732 29.700 0.048 0.000 1.248 641 E HN 0.658 nan 8.360 nan 0.000 0.440 642 N N 0.531 119.232 118.700 0.003 0.000 2.776 642 N HA -0.193 4.547 4.740 0.001 0.000 0.249 642 N C -0.346 175.141 175.510 -0.038 0.000 1.111 642 N CA 0.889 53.927 53.050 -0.019 0.000 0.711 642 N CB -1.124 37.348 38.487 -0.025 0.000 1.065 642 N HN 0.681 nan 8.380 nan 0.000 0.556 643 R N 0.997 121.486 120.500 -0.018 0.000 2.351 643 R HA 0.379 4.720 4.340 0.001 0.000 0.318 643 R C 0.291 176.538 176.300 -0.088 0.000 1.055 643 R CA 0.134 56.215 56.100 -0.032 0.000 0.968 643 R CB 0.315 30.632 30.300 0.028 0.000 0.974 643 R HN 0.205 nan 8.270 nan 0.000 0.439 644 A N 4.820 127.507 122.820 -0.221 0.000 2.476 644 A HA 0.106 4.427 4.320 0.001 0.000 0.275 644 A C -0.339 177.168 177.584 -0.127 0.000 1.133 644 A CA -0.094 51.753 52.037 -0.315 0.000 0.797 644 A CB 0.324 18.731 19.000 -0.988 0.000 1.081 644 A HN 0.834 nan 8.150 nan 0.000 0.510 645 E N 0.526 120.747 120.200 0.035 0.000 2.299 645 E HA 0.333 4.683 4.350 0.001 0.000 0.260 645 E C 1.104 177.794 176.600 0.149 0.000 0.944 645 E CA -0.244 56.217 56.400 0.102 0.000 0.815 645 E CB 1.146 30.868 29.700 0.036 0.000 1.252 645 E HN 0.693 nan 8.360 nan 0.000 0.418 646 E N 1.235 121.466 120.200 0.051 0.000 2.051 646 E HA -0.236 4.114 4.350 0.001 0.000 0.192 646 E C -0.381 176.042 176.600 -0.296 0.000 0.991 646 E CA 1.352 57.631 56.400 -0.202 0.000 0.799 646 E CB 0.054 29.697 29.700 -0.095 0.000 0.748 646 E HN 0.506 nan 8.360 nan 0.000 0.449 647 D N -1.072 119.249 120.400 -0.132 0.000 3.293 647 D HA -0.162 4.479 4.640 0.001 0.000 0.252 647 D C 0.202 176.438 176.300 -0.106 0.000 1.073 647 D CA 0.743 54.685 54.000 -0.096 0.000 0.957 647 D CB -1.209 39.539 40.800 -0.087 0.000 0.987 647 D HN 0.350 nan 8.370 nan 0.000 0.422 648 A N 1.765 124.544 122.820 -0.068 0.000 2.066 648 A HA -0.004 4.316 4.320 0.001 0.000 0.218 648 A C 2.180 179.745 177.584 -0.032 0.000 1.157 648 A CA 1.394 53.401 52.037 -0.050 0.000 0.670 648 A CB -0.074 18.916 19.000 -0.017 0.000 0.804 648 A HN 0.525 nan 8.150 nan 0.000 0.453 649 L N -1.925 119.292 121.223 -0.010 0.000 2.068 649 L HA -0.012 4.329 4.340 0.001 0.000 0.204 649 L C 2.272 179.144 176.870 0.004 0.000 1.076 649 L CA 2.045 56.885 54.840 -0.000 0.000 0.753 649 L CB -0.741 41.327 42.059 0.015 0.000 0.910 649 L HN 0.460 nan 8.230 nan 0.000 0.439 650 Y N 0.858 121.119 120.300 -0.065 0.000 2.128 650 Y HA -0.295 4.256 4.550 0.001 0.000 0.284 650 Y C 2.295 178.153 175.900 -0.070 0.000 1.154 650 Y CA 2.238 60.300 58.100 -0.064 0.000 1.149 650 Y CB -0.457 37.957 38.460 -0.076 0.000 0.976 650 Y HN 0.355 nan 8.280 nan 0.000 0.505 651 N N 0.004 118.630 118.700 -0.124 0.000 2.364 651 N HA -0.154 4.586 4.740 0.001 0.000 0.183 651 N C 2.025 177.444 175.510 -0.151 0.000 1.022 651 N CA 1.385 54.328 53.050 -0.180 0.000 0.883 651 N CB -0.625 37.767 38.487 -0.159 0.000 0.965 651 N HN 0.593 nan 8.380 nan 0.000 0.438 652 S N 0.342 115.969 115.700 -0.123 0.000 2.428 652 S HA -0.076 4.395 4.470 0.001 0.000 0.230 652 S C 0.560 175.092 174.600 -0.113 0.000 1.014 652 S CA 0.483 58.632 58.200 -0.084 0.000 0.957 652 S CB -0.201 62.969 63.200 -0.051 0.000 0.784 652 S HN 0.494 nan 8.310 nan 0.000 0.499 653 K N 0.871 121.161 120.400 -0.185 0.000 2.762 653 K HA 0.419 4.740 4.320 0.001 0.000 0.272 653 K C -3.506 172.875 176.600 -0.365 0.000 1.093 653 K CA -1.660 54.504 56.287 -0.205 0.000 1.048 653 K CB 1.277 33.708 32.500 -0.116 0.000 1.304 653 K HN -0.000 nan 8.250 nan 0.000 0.511 654 P HA 0.010 nan 4.420 nan 0.000 0.271 654 P C 0.180 177.311 177.300 -0.282 0.000 1.218 654 P CA -0.031 62.566 63.100 -0.838 0.000 0.780 654 P CB 1.284 32.664 31.700 -0.533 0.000 0.901 655 T N -2.729 111.800 114.554 -0.043 0.000 2.971 655 T HA 0.089 4.439 4.350 0.001 0.000 0.252 655 T C 0.633 175.423 174.700 0.151 0.000 1.022 655 T CA -0.002 62.152 62.100 0.090 0.000 0.980 655 T CB -0.217 68.728 68.868 0.128 0.000 1.044 655 T HN 0.281 nan 8.240 nan 0.000 0.501 656 N N 2.548 121.410 118.700 0.270 0.000 2.501 656 N HA 0.379 5.120 4.740 0.001 0.000 0.245 656 N C -2.326 173.290 175.510 0.177 0.000 0.974 656 N CA -2.489 50.683 53.050 0.202 0.000 0.941 656 N CB 1.992 40.590 38.487 0.184 0.000 1.122 656 N HN -0.087 nan 8.380 nan 0.000 0.507 657 P HA -0.026 nan 4.420 nan 0.000 0.222 657 P C 0.838 178.197 177.300 0.100 0.000 1.147 657 P CA 0.693 63.848 63.100 0.092 0.000 0.790 657 P CB 0.252 31.990 31.700 0.065 0.000 0.780 658 A N -0.921 121.958 122.820 0.099 0.000 1.986 658 A HA -0.100 4.221 4.320 0.001 0.000 0.220 658 A C 1.245 178.900 177.584 0.119 0.000 1.171 658 A CA 1.164 53.258 52.037 0.094 0.000 0.640 658 A CB -0.908 18.139 19.000 0.079 0.000 0.811 658 A HN 0.321 nan 8.150 nan 0.000 0.451 659 I N -1.956 118.707 120.570 0.154 0.000 2.571 659 I HA 0.241 4.412 4.170 0.001 0.000 0.286 659 I C 0.308 176.595 176.117 0.283 0.000 1.134 659 I CA -0.204 61.215 61.300 0.197 0.000 1.052 659 I CB 1.984 40.081 38.000 0.160 0.000 1.237 659 I HN -0.002 nan 8.210 nan 0.000 0.435 660 T N 5.904 120.608 114.554 0.250 0.000 3.022 660 T HA 0.145 4.495 4.350 0.001 0.000 0.250 660 T C -0.663 174.206 174.700 0.282 0.000 1.060 660 T CA 0.640 62.869 62.100 0.216 0.000 1.013 660 T CB -0.129 68.821 68.868 0.137 0.000 0.982 660 T HN 0.448 nan 8.240 nan 0.000 0.508 661 Y N 1.986 122.387 120.300 0.169 0.000 2.373 661 Y HA 0.619 5.169 4.550 0.001 0.000 0.327 661 Y C -0.627 175.340 175.900 0.112 0.000 1.036 661 Y CA -1.449 56.715 58.100 0.106 0.000 1.265 661 Y CB 0.437 38.930 38.460 0.054 0.000 1.108 661 Y HN 0.095 nan 8.280 nan 0.000 0.471 662 A N 4.118 126.804 122.820 -0.224 0.000 2.313 662 A HA 0.838 5.158 4.320 0.001 0.000 0.323 662 A C -2.010 175.321 177.584 -0.422 0.000 1.133 662 A CA -0.473 51.485 52.037 -0.132 0.000 0.847 662 A CB 0.916 19.795 19.000 -0.201 0.000 1.308 662 A HN 0.655 nan 8.150 nan 0.000 0.475 663 Y N -0.001 120.272 120.300 -0.045 0.000 2.524 663 Y HA 0.537 5.088 4.550 0.001 0.000 0.344 663 Y C 0.446 176.313 175.900 -0.054 0.000 1.012 663 Y CA -0.696 57.388 58.100 -0.026 0.000 1.068 663 Y CB 2.078 40.587 38.460 0.083 0.000 1.249 663 Y HN 0.741 nan 8.280 nan 0.000 0.468 664 K N 0.053 120.504 120.400 0.086 0.000 2.281 664 K HA 0.862 5.183 4.320 0.001 0.000 0.242 664 K C -0.412 176.203 176.600 0.024 0.000 0.971 664 K CA -1.250 55.056 56.287 0.031 0.000 0.834 664 K CB 1.987 34.486 32.500 -0.002 0.000 1.181 664 K HN 0.771 nan 8.250 nan 0.000 0.435 665 G N 2.397 111.199 108.800 0.003 0.000 2.329 665 G HA2 0.498 4.458 3.960 0.001 0.000 0.309 665 G HA3 0.498 4.458 3.960 0.001 0.000 0.309 665 G C -0.192 174.705 174.900 -0.005 0.000 1.110 665 G CA -0.928 44.165 45.100 -0.011 0.000 0.923 665 G HN 0.691 nan 8.290 nan 0.000 0.430 666 I N -0.989 119.578 120.570 -0.004 0.000 2.648 666 I HA 0.635 4.805 4.170 0.001 0.000 0.304 666 I C -0.063 176.060 176.117 0.009 0.000 1.009 666 I CA -1.363 59.938 61.300 0.001 0.000 1.114 666 I CB 2.088 40.088 38.000 -0.000 0.000 1.293 666 I HN 0.160 nan 8.210 nan 0.000 0.449 667 K N 3.080 123.486 120.400 0.010 0.000 2.258 667 K HA 0.688 5.009 4.320 0.001 0.000 0.264 667 K C -0.414 176.194 176.600 0.013 0.000 1.007 667 K CA -0.437 55.860 56.287 0.017 0.000 0.941 667 K CB 1.226 33.731 32.500 0.009 0.000 0.966 667 K HN 0.847 nan 8.250 nan 0.000 0.480 668 A N 1.900 124.737 122.820 0.029 0.000 2.587 668 A HA 0.575 4.895 4.320 0.001 0.000 0.293 668 A C -1.499 176.097 177.584 0.021 0.000 1.087 668 A CA -0.720 51.333 52.037 0.026 0.000 0.692 668 A CB 1.715 20.755 19.000 0.066 0.000 1.291 668 A HN 0.629 nan 8.150 nan 0.000 0.407 669 K N 0.824 121.216 120.400 -0.013 0.000 2.581 669 K HA 0.537 4.857 4.320 0.001 0.000 0.249 669 K C -1.460 175.149 176.600 0.015 0.000 0.966 669 K CA -0.207 56.058 56.287 -0.036 0.000 0.811 669 K CB 1.885 34.276 32.500 -0.180 0.000 1.223 669 K HN 0.696 nan 8.250 nan 0.000 0.438 670 T N 3.945 118.564 114.554 0.108 0.000 2.749 670 T HA 0.332 4.683 4.350 0.001 0.000 0.287 670 T C -0.709 174.053 174.700 0.104 0.000 0.970 670 T CA -0.487 61.672 62.100 0.097 0.000 0.980 670 T CB 0.862 69.851 68.868 0.202 0.000 0.924 670 T HN 0.367 nan 8.240 nan 0.000 0.456 671 K N 1.736 122.151 120.400 0.025 0.000 2.221 671 K HA 0.771 5.092 4.320 0.001 0.000 0.258 671 K C 0.189 176.710 176.600 -0.131 0.000 0.944 671 K CA -0.625 55.651 56.287 -0.019 0.000 0.823 671 K CB 2.044 34.616 32.500 0.119 0.000 1.113 671 K HN 0.797 nan 8.250 nan 0.000 0.431 672 G N 1.222 109.741 108.800 -0.468 0.000 2.506 672 G HA2 0.457 4.418 3.960 0.001 0.000 0.292 672 G HA3 0.457 4.418 3.960 0.001 0.000 0.292 672 G C -2.172 172.260 174.900 -0.779 0.000 1.425 672 G CA -0.781 43.977 45.100 -0.570 0.000 0.788 672 G HN 0.521 nan 8.290 nan 0.000 0.490 673 Y N -1.664 118.474 120.300 -0.271 0.000 2.615 673 Y HA 0.888 5.438 4.550 0.001 0.000 0.341 673 Y C -0.803 175.294 175.900 0.327 0.000 1.089 673 Y CA -1.401 56.721 58.100 0.037 0.000 1.049 673 Y CB 2.210 40.789 38.460 0.199 0.000 1.296 673 Y HN 0.720 nan 8.280 nan 0.000 0.470 674 E N 1.231 121.747 120.200 0.526 0.000 2.311 674 E HA 0.740 5.091 4.350 0.001 0.000 0.281 674 E C -1.942 174.881 176.600 0.372 0.000 0.905 674 E CA -0.920 55.729 56.400 0.416 0.000 0.778 674 E CB 1.878 31.814 29.700 0.393 0.000 1.240 674 E HN 1.063 nan 8.360 nan 0.000 0.410 675 A N 4.363 127.389 122.820 0.344 0.000 2.343 675 A HA 0.681 5.001 4.320 0.001 0.000 0.316 675 A C -0.926 176.786 177.584 0.213 0.000 1.104 675 A CA -0.582 51.615 52.037 0.266 0.000 0.768 675 A CB 0.976 20.122 19.000 0.243 0.000 1.213 675 A HN 0.661 nan 8.150 nan 0.000 0.456 676 E N 1.570 121.873 120.200 0.171 0.000 2.429 676 E HA 0.779 5.129 4.350 0.001 0.000 0.276 676 E C -1.483 175.186 176.600 0.115 0.000 0.953 676 E CA -0.772 55.706 56.400 0.130 0.000 0.787 676 E CB 2.090 31.852 29.700 0.104 0.000 1.307 676 E HN 0.610 nan 8.360 nan 0.000 0.458 677 I N 0.851 121.474 120.570 0.090 0.000 2.722 677 I HA 0.493 4.664 4.170 0.001 0.000 0.295 677 I C -1.828 174.329 176.117 0.067 0.000 1.161 677 I CA -0.308 61.036 61.300 0.072 0.000 1.032 677 I CB 2.055 40.073 38.000 0.030 0.000 1.244 677 I HN 0.828 nan 8.210 nan 0.000 0.421 678 S N 4.814 120.556 115.700 0.069 0.000 2.533 678 S HA 1.002 5.473 4.470 0.001 0.000 0.271 678 S C -0.416 174.225 174.600 0.069 0.000 1.143 678 S CA -0.012 58.241 58.200 0.089 0.000 0.891 678 S CB 1.611 64.872 63.200 0.102 0.000 1.105 678 S HN 1.760 nan 8.310 nan 0.000 0.468 679 G N 1.445 110.287 108.800 0.070 0.000 2.342 679 G HA2 0.060 4.021 3.960 0.001 0.000 0.220 679 G HA3 0.060 4.021 3.960 0.001 0.000 0.220 679 G C -1.018 173.846 174.900 -0.061 0.000 1.243 679 G CA -0.461 44.653 45.100 0.024 0.000 1.083 679 G HN 1.047 nan 8.290 nan 0.000 0.500 680 E N -0.020 120.146 120.200 -0.057 0.000 2.299 680 E HA 0.331 4.682 4.350 0.001 0.000 0.272 680 E C 0.759 177.280 176.600 -0.131 0.000 1.043 680 E CA -0.471 55.883 56.400 -0.077 0.000 0.895 680 E CB 0.587 30.269 29.700 -0.031 0.000 1.011 680 E HN 0.364 nan 8.360 nan 0.000 0.432 681 L N 4.334 125.430 121.223 -0.212 0.000 2.357 681 L HA 0.369 4.709 4.340 0.001 0.000 0.211 681 L C 0.144 176.951 176.870 -0.105 0.000 1.075 681 L CA 0.969 55.598 54.840 -0.353 0.000 0.830 681 L CB 0.126 41.605 42.059 -0.966 0.000 0.996 681 L HN 0.622 nan 8.230 nan 0.000 0.467 682 A N -2.555 120.324 122.820 0.099 0.000 2.601 682 A HA 0.584 4.904 4.320 0.001 0.000 0.291 682 A C -2.165 175.527 177.584 0.180 0.000 1.075 682 A CA -0.631 51.533 52.037 0.211 0.000 0.671 682 A CB 0.023 19.283 19.000 0.434 0.000 1.277 682 A HN -0.112 nan 8.150 nan 0.000 0.417 683 P HA -0.188 nan 4.420 nan 0.000 0.219 683 P C 1.130 178.448 177.300 0.030 0.000 1.158 683 P CA 2.664 65.801 63.100 0.062 0.000 0.895 683 P CB 0.230 31.958 31.700 0.046 0.000 0.792 684 G N -3.978 104.839 108.800 0.028 0.000 3.805 684 G HA2 0.173 4.133 3.960 0.001 0.000 0.290 684 G HA3 0.173 4.133 3.960 0.001 0.000 0.290 684 G C -1.193 173.726 174.900 0.031 0.000 1.077 684 G CA -0.131 44.902 45.100 -0.112 0.000 0.852 684 G HN 0.110 nan 8.290 nan 0.000 0.531 685 W N 1.652 122.941 121.300 -0.018 0.000 2.587 685 W HA 0.584 5.245 4.660 0.001 0.000 0.324 685 W C -1.020 175.476 176.519 -0.038 0.000 1.008 685 W CA -1.469 55.921 57.345 0.075 0.000 1.265 685 W CB 1.355 30.923 29.460 0.180 0.000 1.328 685 W HN -0.103 nan 8.180 nan 0.000 0.432 686 Q N 4.434 124.281 119.800 0.079 0.000 2.342 686 Q HA 0.648 4.989 4.340 0.001 0.000 0.267 686 Q C -0.488 175.480 176.000 -0.053 0.000 1.038 686 Q CA -0.804 54.863 55.803 -0.226 0.000 0.832 686 Q CB 2.749 31.027 28.738 -0.766 0.000 1.323 686 Q HN 0.401 nan 8.270 nan 0.000 0.448 687 V N -0.035 119.891 119.914 0.021 0.000 3.001 687 V HA 0.701 4.821 4.120 0.001 0.000 0.314 687 V C -0.817 175.490 176.094 0.356 0.000 1.099 687 V CA -1.055 61.365 62.300 0.200 0.000 0.989 687 V CB 2.031 33.843 31.823 -0.019 0.000 1.040 687 V HN 0.754 nan 8.190 nan 0.000 0.434 688 Q N 1.530 121.524 119.800 0.323 0.000 2.350 688 Q HA 0.790 5.131 4.340 0.001 0.000 0.255 688 Q C -1.079 175.012 176.000 0.151 0.000 0.951 688 Q CA 0.031 55.954 55.803 0.200 0.000 0.751 688 Q CB 1.465 30.279 28.738 0.127 0.000 1.296 688 Q HN 1.524 nan 8.270 nan 0.000 0.453 689 A N 2.216 125.093 122.820 0.096 0.000 2.475 689 A HA 1.019 5.339 4.320 0.001 0.000 0.301 689 A C -0.609 177.020 177.584 0.075 0.000 1.059 689 A CA -0.206 51.869 52.037 0.063 0.000 0.710 689 A CB 1.892 20.917 19.000 0.041 0.000 1.288 689 A HN 0.847 nan 8.150 nan 0.000 0.408 690 G N -0.704 108.142 108.800 0.077 0.000 2.704 690 G HA2 0.572 4.532 3.960 0.001 0.000 0.293 690 G HA3 0.572 4.532 3.960 0.001 0.000 0.293 690 G C -2.145 172.842 174.900 0.145 0.000 1.421 690 G CA -0.409 44.753 45.100 0.105 0.000 0.870 690 G HN 1.121 nan 8.290 nan 0.000 0.492 691 Y N 0.437 120.770 120.300 0.057 0.000 2.406 691 Y HA 0.716 5.267 4.550 0.001 0.000 0.340 691 Y C -0.544 175.387 175.900 0.052 0.000 0.975 691 Y CA -0.512 57.623 58.100 0.057 0.000 1.056 691 Y CB 2.520 41.029 38.460 0.083 0.000 1.210 691 Y HN 0.599 nan 8.280 nan 0.000 0.448 692 T N 4.972 119.241 114.554 -0.476 0.000 2.916 692 T HA 0.267 4.618 4.350 0.001 0.000 0.298 692 T C -2.026 172.419 174.700 -0.426 0.000 1.031 692 T CA -0.614 61.341 62.100 -0.241 0.000 0.993 692 T CB 0.965 69.751 68.868 -0.137 0.000 1.045 692 T HN 0.664 nan 8.240 nan 0.000 0.454 693 H N 2.223 121.036 119.070 -0.427 0.000 2.529 693 H HA 0.693 5.250 4.556 0.001 0.000 0.348 693 H C -0.775 174.401 175.328 -0.254 0.000 1.079 693 H CA -0.695 55.092 56.048 -0.434 0.000 1.198 693 H CB 0.892 30.193 29.762 -0.768 0.000 1.521 693 H HN 0.597 nan 8.280 nan 0.000 0.514 694 K N 4.412 124.372 120.400 -0.734 0.000 2.502 694 K HA 0.533 4.853 4.320 0.001 0.000 0.257 694 K C -1.961 174.335 176.600 -0.507 0.000 0.938 694 K CA -0.661 55.351 56.287 -0.460 0.000 0.819 694 K CB 1.425 33.828 32.500 -0.161 0.000 1.333 694 K HN 0.509 nan 8.250 nan 0.000 0.434 695 I N 3.506 123.904 120.570 -0.287 0.000 2.500 695 I HA 0.387 4.557 4.170 0.001 0.000 0.286 695 I C -1.010 175.031 176.117 -0.127 0.000 1.063 695 I CA -0.938 60.252 61.300 -0.184 0.000 1.062 695 I CB 1.803 39.754 38.000 -0.082 0.000 1.223 695 I HN 0.716 nan 8.210 nan 0.000 0.435 696 I N 7.103 127.571 120.570 -0.170 0.000 2.312 696 I HA 0.449 4.620 4.170 0.001 0.000 0.290 696 I C -0.459 175.581 176.117 -0.129 0.000 1.008 696 I CA -0.282 60.919 61.300 -0.165 0.000 1.226 696 I CB 0.338 38.157 38.000 -0.301 0.000 1.371 696 I HN 0.605 nan 8.210 nan 0.000 0.468 697 R N 4.972 125.424 120.500 -0.080 0.000 2.711 697 R HA 0.445 4.786 4.340 0.001 0.000 0.284 697 R C -0.954 175.317 176.300 -0.048 0.000 0.968 697 R CA -1.073 54.994 56.100 -0.056 0.000 0.924 697 R CB 1.136 31.419 30.300 -0.029 0.000 1.162 697 R HN 0.481 nan 8.270 nan 0.000 0.465 698 D N 1.231 121.607 120.400 -0.039 0.000 2.390 698 D HA -0.082 4.558 4.640 0.001 0.000 0.236 698 D C 0.893 177.178 176.300 -0.024 0.000 1.189 698 D CA 0.323 54.307 54.000 -0.027 0.000 0.887 698 D CB 0.531 41.318 40.800 -0.023 0.000 1.198 698 D HN 0.499 nan 8.370 nan 0.000 0.444 699 D N 0.268 120.657 120.400 -0.019 0.000 2.412 699 D HA -0.252 4.389 4.640 0.001 0.000 0.191 699 D C 1.801 178.092 176.300 -0.015 0.000 1.019 699 D CA 2.597 56.587 54.000 -0.016 0.000 0.866 699 D CB -0.305 40.489 40.800 -0.009 0.000 0.966 699 D HN 0.417 nan 8.370 nan 0.000 0.459 700 S N -1.931 113.761 115.700 -0.013 0.000 2.474 700 S HA 0.127 4.598 4.470 0.001 0.000 0.235 700 S C 1.773 176.367 174.600 -0.011 0.000 0.997 700 S CA 1.305 59.498 58.200 -0.012 0.000 0.949 700 S CB 0.395 63.587 63.200 -0.012 0.000 0.766 700 S HN 0.595 nan 8.310 nan 0.000 0.517 701 G N 1.342 110.134 108.800 -0.013 0.000 2.179 701 G HA2 -0.242 3.718 3.960 0.001 0.000 0.220 701 G HA3 -0.242 3.718 3.960 0.001 0.000 0.220 701 G C -0.097 174.800 174.900 -0.004 0.000 0.990 701 G CA -0.061 45.033 45.100 -0.009 0.000 0.646 701 G HN 0.940 nan 8.290 nan 0.000 0.517 702 K N 1.071 121.466 120.400 -0.008 0.000 2.270 702 K HA 0.624 4.944 4.320 0.001 0.000 0.276 702 K C 0.380 176.977 176.600 -0.004 0.000 1.023 702 K CA -0.555 55.731 56.287 -0.001 0.000 0.955 702 K CB 1.033 33.526 32.500 -0.011 0.000 0.975 702 K HN 0.127 nan 8.250 nan 0.000 0.471 703 K N 1.596 122.011 120.400 0.025 0.000 2.258 703 K HA 0.221 4.542 4.320 0.001 0.000 0.264 703 K C -0.677 175.890 176.600 -0.055 0.000 1.007 703 K CA -0.534 55.753 56.287 0.000 0.000 0.941 703 K CB 1.272 33.822 32.500 0.084 0.000 0.966 703 K HN 0.361 nan 8.250 nan 0.000 0.480 704 V N 0.683 120.519 119.914 -0.131 0.000 3.159 704 V HA 0.086 4.207 4.120 0.001 0.000 0.308 704 V C -0.652 175.289 176.094 -0.256 0.000 1.190 704 V CA -0.731 61.473 62.300 -0.159 0.000 1.037 704 V CB 2.161 33.904 31.823 -0.132 0.000 1.060 704 V HN 0.979 nan 8.190 nan 0.000 0.437 705 S N 0.686 116.244 115.700 -0.235 0.000 3.491 705 S HA -0.206 4.265 4.470 0.001 0.000 0.371 705 S C 1.318 175.635 174.600 -0.472 0.000 0.980 705 S CA 1.111 59.118 58.200 -0.321 0.000 1.204 705 S CB -1.363 61.593 63.200 -0.408 0.000 0.915 705 S HN 1.326 nan 8.310 nan 0.000 0.482 706 T N -2.747 111.521 114.554 -0.475 0.000 3.007 706 T HA -0.102 4.249 4.350 0.001 0.000 0.270 706 T C 1.170 175.387 174.700 -0.806 0.000 1.107 706 T CA 0.830 62.397 62.100 -0.888 0.000 1.118 706 T CB -0.335 67.778 68.868 -1.259 0.000 0.889 706 T HN 0.774 nan 8.240 nan 0.000 0.506 707 W N 1.892 122.827 121.300 -0.607 0.000 2.518 707 W HA 0.205 4.865 4.660 0.001 0.000 0.273 707 W C 0.651 176.901 176.519 -0.449 0.000 1.247 707 W CA 0.055 57.166 57.345 -0.389 0.000 1.288 707 W CB 0.113 29.478 29.460 -0.157 0.000 1.107 707 W HN 0.325 nan 8.180 nan 0.000 0.586 708 E N 2.895 122.625 120.200 -0.784 0.000 2.299 708 E HA 0.056 4.407 4.350 0.001 0.000 0.272 708 E C -2.143 174.068 176.600 -0.649 0.000 1.043 708 E CA -1.887 53.985 56.400 -0.880 0.000 0.895 708 E CB 0.925 29.909 29.700 -1.193 0.000 1.011 708 E HN -0.165 nan 8.360 nan 0.000 0.432 709 P HA 0.010 nan 4.420 nan 0.000 0.274 709 P C -0.230 176.823 177.300 -0.411 0.000 1.231 709 P CA 0.100 62.914 63.100 -0.476 0.000 0.790 709 P CB 0.911 32.304 31.700 -0.512 0.000 0.951 710 Q N 0.174 119.787 119.800 -0.311 0.000 2.311 710 Q HA -0.035 4.306 4.340 0.001 0.000 0.203 710 Q C -0.357 175.475 176.000 -0.279 0.000 0.954 710 Q CA 1.248 56.877 55.803 -0.290 0.000 0.885 710 Q CB 0.079 28.732 28.738 -0.141 0.000 0.963 710 Q HN 0.604 nan 8.270 nan 0.000 0.471 711 D N -0.095 120.159 120.400 -0.244 0.000 2.738 711 D HA 0.221 4.861 4.640 0.001 0.000 0.237 711 D C -1.041 174.969 176.300 -0.484 0.000 1.123 711 D CA -0.550 53.312 54.000 -0.229 0.000 0.856 711 D CB 1.417 42.306 40.800 0.150 0.000 1.552 711 D HN -0.012 nan 8.370 nan 0.000 0.480 712 Q N 0.809 120.272 119.800 -0.563 0.000 2.418 712 Q HA 0.741 5.081 4.340 0.001 0.000 0.282 712 Q C -1.924 173.823 176.000 -0.423 0.000 1.044 712 Q CA -1.246 54.246 55.803 -0.519 0.000 0.813 712 Q CB 2.314 30.776 28.738 -0.459 0.000 1.428 712 Q HN 0.422 nan 8.270 nan 0.000 0.402 713 L N 0.687 121.806 121.223 -0.174 0.000 2.436 713 L HA 0.710 5.051 4.340 0.001 0.000 0.268 713 L C -1.636 175.191 176.870 -0.071 0.000 0.974 713 L CA 0.006 54.839 54.840 -0.012 0.000 0.826 713 L CB 2.728 44.902 42.059 0.192 0.000 1.291 713 L HN 0.783 nan 8.230 nan 0.000 0.406 714 S N 4.958 120.626 115.700 -0.052 0.000 2.521 714 S HA 0.799 5.269 4.470 0.001 0.000 0.295 714 S C -1.328 173.186 174.600 -0.144 0.000 1.098 714 S CA -0.470 57.659 58.200 -0.119 0.000 0.999 714 S CB 1.652 64.846 63.200 -0.009 0.000 1.034 714 S HN 0.682 nan 8.310 nan 0.000 0.483 715 L N 3.867 124.854 121.223 -0.392 0.000 2.476 715 L HA 0.626 4.966 4.340 0.001 0.000 0.269 715 L C -2.190 174.277 176.870 -0.672 0.000 0.965 715 L CA -0.492 54.169 54.840 -0.298 0.000 0.845 715 L CB 0.995 42.994 42.059 -0.100 0.000 1.259 715 L HN 0.676 nan 8.230 nan 0.000 0.403 716 Y N 2.763 123.068 120.300 0.008 0.000 2.361 716 Y HA 0.662 5.213 4.550 0.001 0.000 0.337 716 Y C 0.101 176.185 175.900 0.307 0.000 0.965 716 Y CA -0.627 57.480 58.100 0.012 0.000 1.091 716 Y CB 2.493 40.747 38.460 -0.344 0.000 1.182 716 Y HN 0.463 nan 8.280 nan 0.000 0.450 717 T N 2.303 117.220 114.554 0.605 0.000 2.912 717 T HA 0.682 5.032 4.350 0.001 0.000 0.299 717 T C -1.043 174.049 174.700 0.653 0.000 1.052 717 T CA -0.612 61.852 62.100 0.608 0.000 0.996 717 T CB 0.823 69.993 68.868 0.504 0.000 1.070 717 T HN 0.699 nan 8.240 nan 0.000 0.465 718 S N 3.373 119.390 115.700 0.527 0.000 2.599 718 S HA 0.783 5.253 4.470 0.001 0.000 0.294 718 S C -1.687 173.093 174.600 0.299 0.000 1.094 718 S CA -0.742 57.655 58.200 0.329 0.000 0.931 718 S CB 1.838 65.173 63.200 0.225 0.000 1.093 718 S HN 0.766 nan 8.310 nan 0.000 0.488 719 Y N 1.135 121.417 120.300 -0.029 0.000 2.361 719 Y HA 0.492 5.043 4.550 0.001 0.000 0.328 719 Y C -0.819 174.920 175.900 -0.269 0.000 1.044 719 Y CA -0.683 57.289 58.100 -0.213 0.000 1.085 719 Y CB 1.482 39.636 38.460 -0.511 0.000 1.194 719 Y HN 0.724 nan 8.280 nan 0.000 0.438 720 K N 6.910 126.892 120.400 -0.697 0.000 2.273 720 K HA 0.202 4.523 4.320 0.001 0.000 0.287 720 K C -0.862 175.237 176.600 -0.835 0.000 1.089 720 K CA -0.136 55.822 56.287 -0.549 0.000 0.909 720 K CB 0.031 32.336 32.500 -0.326 0.000 1.123 720 K HN 0.602 nan 8.250 nan 0.000 0.473 721 F N 1.908 121.575 119.950 -0.472 0.000 2.539 721 F HA 0.057 4.584 4.527 0.001 0.000 0.340 721 F C 1.462 177.136 175.800 -0.210 0.000 1.185 721 F CA 0.584 58.406 58.000 -0.297 0.000 1.333 721 F CB 0.494 39.462 39.000 -0.053 0.000 1.152 721 F HN 0.152 nan 8.300 nan 0.000 0.602 722 K N 0.565 121.028 120.400 0.105 0.000 2.156 722 K HA 0.516 4.836 4.320 0.001 0.000 0.254 722 K C 0.601 177.242 176.600 0.069 0.000 0.950 722 K CA 0.082 56.396 56.287 0.044 0.000 0.849 722 K CB 1.645 34.165 32.500 0.034 0.000 1.100 722 K HN 0.788 nan 8.250 nan 0.000 0.434 723 G N 1.532 110.351 108.800 0.031 0.000 2.574 723 G HA2 -0.443 3.517 3.960 0.001 0.000 0.301 723 G HA3 -0.443 3.517 3.960 0.001 0.000 0.301 723 G C 0.942 175.854 174.900 0.020 0.000 1.166 723 G CA 0.566 45.681 45.100 0.025 0.000 0.971 723 G HN 0.687 nan 8.290 nan 0.000 0.542 724 A N -0.457 122.376 122.820 0.020 0.000 1.933 724 A HA 0.300 4.620 4.320 0.001 0.000 0.218 724 A C 2.309 179.897 177.584 0.007 0.000 1.175 724 A CA 2.132 54.176 52.037 0.010 0.000 0.628 724 A CB -0.317 18.684 19.000 0.002 0.000 0.814 724 A HN 0.991 nan 8.150 nan 0.000 0.444 725 L N 0.459 121.678 121.223 -0.006 0.000 2.791 725 L HA 0.070 4.410 4.340 0.001 0.000 0.239 725 L C 1.046 177.924 176.870 0.014 0.000 1.203 725 L CA 0.418 55.236 54.840 -0.038 0.000 1.002 725 L CB -0.138 41.764 42.059 -0.261 0.000 1.295 725 L HN 0.506 nan 8.230 nan 0.000 0.504 726 D N -0.367 120.035 120.400 0.003 0.000 2.392 726 D HA -0.196 4.445 4.640 0.001 0.000 0.228 726 D C 1.503 177.738 176.300 -0.107 0.000 1.003 726 D CA 0.957 54.945 54.000 -0.020 0.000 0.917 726 D CB 0.202 40.987 40.800 -0.025 0.000 0.890 726 D HN 0.102 nan 8.370 nan 0.000 0.532 727 K N -1.026 119.242 120.400 -0.219 0.000 2.374 727 K HA 0.256 4.576 4.320 0.001 0.000 0.196 727 K C -0.172 176.034 176.600 -0.655 0.000 1.023 727 K CA -0.349 55.645 56.287 -0.488 0.000 1.103 727 K CB 0.467 32.557 32.500 -0.684 0.000 0.848 727 K HN 0.120 nan 8.250 nan 0.000 0.528 728 L N 0.723 121.780 121.223 -0.276 0.000 2.295 728 L HA 0.347 4.687 4.340 0.001 0.000 0.285 728 L C -1.006 175.958 176.870 0.156 0.000 1.035 728 L CA 0.246 55.094 54.840 0.014 0.000 0.806 728 L CB 1.723 43.889 42.059 0.178 0.000 1.214 728 L HN -0.143 nan 8.230 nan 0.000 0.426 729 T N 4.637 119.262 114.554 0.118 0.000 2.815 729 T HA 0.567 4.918 4.350 0.001 0.000 0.289 729 T C -0.573 174.213 174.700 0.143 0.000 1.000 729 T CA -0.354 61.802 62.100 0.093 0.000 0.958 729 T CB 1.349 70.211 68.868 -0.009 0.000 0.944 729 T HN 0.368 nan 8.240 nan 0.000 0.442 730 V N 2.510 122.546 119.914 0.202 0.000 2.630 730 V HA 0.967 5.088 4.120 0.001 0.000 0.305 730 V C 0.561 176.732 176.094 0.129 0.000 1.046 730 V CA -0.236 62.180 62.300 0.193 0.000 0.934 730 V CB 1.962 33.981 31.823 0.326 0.000 1.003 730 V HN 1.081 nan 8.190 nan 0.000 0.451 731 G N 1.191 110.062 108.800 0.117 0.000 2.646 731 G HA2 0.784 4.745 3.960 0.001 0.000 0.291 731 G HA3 0.784 4.745 3.960 0.001 0.000 0.291 731 G C -0.748 174.303 174.900 0.252 0.000 1.445 731 G CA 0.010 45.214 45.100 0.174 0.000 0.814 731 G HN 1.188 nan 8.290 nan 0.000 0.495 732 G N -1.984 107.088 108.800 0.452 0.000 2.495 732 G HA2 0.932 4.893 3.960 0.001 0.000 0.294 732 G HA3 0.932 4.893 3.960 0.001 0.000 0.294 732 G C -0.603 174.603 174.900 0.510 0.000 1.397 732 G CA 0.332 45.711 45.100 0.466 0.000 0.790 732 G HN 1.891 nan 8.290 nan 0.000 0.486 733 G N -1.829 107.153 108.800 0.303 0.000 2.601 733 G HA2 0.858 4.819 3.960 0.001 0.000 0.291 733 G HA3 0.858 4.819 3.960 0.001 0.000 0.291 733 G C -1.283 173.543 174.900 -0.124 0.000 1.456 733 G CA 0.484 45.546 45.100 -0.063 0.000 0.804 733 G HN 1.913 nan 8.290 nan 0.000 0.499 734 A N 0.499 123.123 122.820 -0.326 0.000 2.422 734 A HA 0.899 5.220 4.320 0.001 0.000 0.302 734 A C -0.447 177.060 177.584 -0.128 0.000 1.041 734 A CA -0.677 51.347 52.037 -0.022 0.000 0.708 734 A CB 1.926 21.052 19.000 0.210 0.000 1.257 734 A HN 0.868 nan 8.150 nan 0.000 0.414 735 R N 1.322 121.821 120.500 -0.001 0.000 2.562 735 R HA 0.571 4.911 4.340 0.001 0.000 0.298 735 R C -1.755 174.449 176.300 -0.161 0.000 0.961 735 R CA -0.438 55.596 56.100 -0.110 0.000 0.881 735 R CB 1.353 31.558 30.300 -0.159 0.000 1.159 735 R HN 0.817 nan 8.270 nan 0.000 0.450 736 W N 4.927 125.855 121.300 -0.621 0.000 2.844 736 W HA 0.326 4.987 4.660 0.001 0.000 0.340 736 W C -1.529 174.514 176.519 -0.794 0.000 1.093 736 W CA -0.417 56.297 57.345 -1.052 0.000 1.212 736 W CB 1.487 29.780 29.460 -1.945 0.000 1.422 736 W HN 0.627 nan 8.180 nan 0.000 0.515 737 Q N 3.930 122.486 119.800 -2.073 0.000 2.456 737 Q HA 0.762 5.103 4.340 0.001 0.000 0.284 737 Q C -0.283 174.401 176.000 -2.193 0.000 1.061 737 Q CA -1.111 53.513 55.803 -1.965 0.000 0.799 737 Q CB 2.012 30.078 28.738 -1.120 0.000 1.445 737 Q HN 0.653 nan 8.270 nan 0.000 0.411 738 G N 0.955 108.856 108.800 -1.499 0.000 2.510 738 G HA2 0.287 4.247 3.960 0.001 0.000 0.280 738 G HA3 0.287 4.247 3.960 0.001 0.000 0.280 738 G C -0.739 173.973 174.900 -0.314 0.000 1.386 738 G CA -0.936 43.760 45.100 -0.672 0.000 1.047 738 G HN 0.534 nan 8.290 nan 0.000 0.527 739 K N -0.030 120.343 120.400 -0.046 0.000 2.491 739 K HA 0.216 4.537 4.320 0.001 0.000 0.279 739 K C 0.320 176.985 176.600 0.108 0.000 1.026 739 K CA 0.502 56.852 56.287 0.104 0.000 1.070 739 K CB 0.302 32.927 32.500 0.208 0.000 0.887 739 K HN 0.572 nan 8.250 nan 0.000 0.481 740 S N 2.620 118.354 115.700 0.058 0.000 2.599 740 S HA 0.797 5.268 4.470 0.001 0.000 0.294 740 S C -1.370 173.426 174.600 0.328 0.000 1.094 740 S CA -1.081 57.075 58.200 -0.072 0.000 0.931 740 S CB 1.095 63.955 63.200 -0.567 0.000 1.093 740 S HN 0.729 nan 8.310 nan 0.000 0.488 741 W N -0.190 121.232 121.300 0.202 0.000 3.074 741 W HA 0.776 5.437 4.660 0.001 0.000 0.332 741 W C -1.784 174.972 176.519 0.395 0.000 1.253 741 W CA -0.766 56.796 57.345 0.362 0.000 1.180 741 W CB 0.944 30.519 29.460 0.191 0.000 1.445 741 W HN 0.612 nan 8.180 nan 0.000 0.573 742 Q N 1.780 121.878 119.800 0.497 0.000 2.359 742 Q HA 0.405 4.745 4.340 0.001 0.000 0.274 742 Q C -1.385 174.824 176.000 0.347 0.000 1.074 742 Q CA -1.215 54.741 55.803 0.255 0.000 0.810 742 Q CB 2.735 31.476 28.738 0.005 0.000 1.342 742 Q HN 0.728 nan 8.270 nan 0.000 0.427 743 M N 2.584 122.360 119.600 0.293 0.000 2.105 743 M HA 0.255 4.735 4.480 0.001 0.000 0.350 743 M C -0.600 175.984 176.300 0.474 0.000 1.308 743 M CA -0.442 55.063 55.300 0.342 0.000 1.108 743 M CB 0.588 33.264 32.600 0.126 0.000 1.622 743 M HN 0.359 nan 8.290 nan 0.000 0.468 744 V N 3.517 123.759 119.914 0.546 0.000 2.628 744 V HA 0.558 4.678 4.120 0.001 0.000 0.306 744 V C -1.491 174.841 176.094 0.397 0.000 1.045 744 V CA -0.881 61.672 62.300 0.421 0.000 0.905 744 V CB 1.632 33.484 31.823 0.049 0.000 0.997 744 V HN 0.705 nan 8.190 nan 0.000 0.436 745 Y N 4.518 124.721 120.300 -0.162 0.000 2.404 745 Y HA 0.448 4.998 4.550 0.001 0.000 0.344 745 Y C 0.588 176.285 175.900 -0.338 0.000 0.970 745 Y CA -0.466 57.218 58.100 -0.693 0.000 1.180 745 Y CB 0.846 38.531 38.460 -1.292 0.000 1.138 745 Y HN 0.918 nan 8.280 nan 0.000 0.510 746 N N 5.704 123.907 118.700 -0.828 0.000 2.402 746 N HA -0.083 4.657 4.740 0.001 0.000 0.259 746 N C 0.668 175.536 175.510 -1.070 0.000 1.167 746 N CA 0.471 52.849 53.050 -1.120 0.000 0.949 746 N CB 0.215 37.943 38.487 -1.266 0.000 1.212 746 N HN 0.865 nan 8.380 nan 0.000 0.493 747 N N 4.843 123.164 118.700 -0.631 0.000 2.080 747 N HA -0.027 4.714 4.740 0.001 0.000 0.189 747 N C -1.121 174.170 175.510 -0.365 0.000 1.036 747 N CA 1.053 53.880 53.050 -0.372 0.000 0.846 747 N CB -0.614 37.783 38.487 -0.151 0.000 1.015 747 N HN 0.456 nan 8.380 nan 0.000 0.423 748 P HA -0.045 nan 4.420 nan 0.000 0.216 748 P C 0.726 177.841 177.300 -0.308 0.000 1.150 748 P CA 1.390 64.309 63.100 -0.301 0.000 0.837 748 P CB 0.020 31.546 31.700 -0.292 0.000 0.786 749 R N -0.990 119.264 120.500 -0.411 0.000 2.334 749 R HA 0.216 4.557 4.340 0.001 0.000 0.220 749 R C 0.139 176.219 176.300 -0.368 0.000 0.917 749 R CA 0.125 56.014 56.100 -0.351 0.000 1.073 749 R CB -0.367 29.721 30.300 -0.353 0.000 1.056 749 R HN 0.020 nan 8.270 nan 0.000 0.506 750 S N 1.734 117.161 115.700 -0.456 0.000 3.405 750 S HA -0.222 4.249 4.470 0.001 0.000 0.373 750 S C -0.222 174.122 174.600 -0.427 0.000 0.939 750 S CA 1.197 59.155 58.200 -0.404 0.000 1.295 750 S CB -1.292 61.824 63.200 -0.140 0.000 0.919 750 S HN 0.683 nan 8.310 nan 0.000 0.535 751 R N -1.624 118.384 120.500 -0.820 0.000 2.634 751 R HA 0.506 4.847 4.340 0.001 0.000 0.263 751 R C -1.465 174.505 176.300 -0.549 0.000 1.060 751 R CA -1.193 54.640 56.100 -0.446 0.000 0.898 751 R CB 0.399 30.556 30.300 -0.237 0.000 1.253 751 R HN 0.176 nan 8.270 nan 0.000 0.461 752 W N 1.522 122.816 121.300 -0.009 0.000 2.202 752 W HA 0.352 5.013 4.660 0.001 0.000 0.332 752 W C 0.102 176.660 176.519 0.064 0.000 1.263 752 W CA 0.067 57.468 57.345 0.093 0.000 1.223 752 W CB 1.073 30.631 29.460 0.163 0.000 1.128 752 W HN 0.424 nan 8.180 nan 0.000 0.573 753 E N 1.800 122.251 120.200 0.419 0.000 2.256 753 E HA 0.163 4.513 4.350 0.001 0.000 0.268 753 E C -1.026 175.835 176.600 0.435 0.000 0.877 753 E CA -1.238 55.378 56.400 0.359 0.000 0.757 753 E CB 1.973 31.928 29.700 0.425 0.000 1.183 753 E HN 0.215 nan 8.360 nan 0.000 0.418 754 K N 2.897 123.463 120.400 0.275 0.000 2.339 754 K HA 0.252 4.572 4.320 0.001 0.000 0.286 754 K C -1.308 175.432 176.600 0.232 0.000 1.050 754 K CA -0.033 56.411 56.287 0.262 0.000 0.956 754 K CB 0.413 32.974 32.500 0.103 0.000 0.990 754 K HN 0.280 nan 8.250 nan 0.000 0.475 755 F N 2.514 122.576 119.950 0.186 0.000 2.427 755 F HA 0.302 4.830 4.527 0.001 0.000 0.348 755 F C -0.322 175.625 175.800 0.246 0.000 1.125 755 F CA -0.220 57.863 58.000 0.139 0.000 0.989 755 F CB 1.942 40.963 39.000 0.035 0.000 1.165 755 F HN 0.428 nan 8.300 nan 0.000 0.442 756 S N 2.516 118.377 115.700 0.269 0.000 2.537 756 S HA 0.515 4.986 4.470 0.001 0.000 0.301 756 S C -1.004 173.806 174.600 0.351 0.000 1.092 756 S CA -0.731 57.669 58.200 0.333 0.000 1.048 756 S CB 1.798 65.105 63.200 0.178 0.000 1.053 756 S HN 0.481 nan 8.310 nan 0.000 0.501 757 Q N 2.145 122.167 119.800 0.370 0.000 2.357 757 Q HA 0.285 4.626 4.340 0.001 0.000 0.266 757 Q C -0.894 175.225 176.000 0.198 0.000 1.021 757 Q CA -0.310 55.672 55.803 0.298 0.000 0.784 757 Q CB 0.496 29.379 28.738 0.243 0.000 1.243 757 Q HN 0.630 nan 8.270 nan 0.000 0.465 758 E N 1.857 122.169 120.200 0.187 0.000 2.436 758 E HA 0.006 4.357 4.350 0.001 0.000 0.262 758 E C -0.456 176.255 176.600 0.185 0.000 1.063 758 E CA 0.373 56.871 56.400 0.164 0.000 0.944 758 E CB 0.317 30.113 29.700 0.160 0.000 0.950 758 E HN 0.734 nan 8.360 nan 0.000 0.444 759 D N 1.149 121.625 120.400 0.127 0.000 2.548 759 D HA -0.038 4.603 4.640 0.001 0.000 0.231 759 D C -0.746 175.651 176.300 0.161 0.000 1.142 759 D CA 0.312 54.319 54.000 0.013 0.000 0.866 759 D CB 0.164 41.034 40.800 0.118 0.000 1.190 759 D HN 0.394 nan 8.370 nan 0.000 0.469 760 Y N -1.277 118.857 120.300 -0.276 0.000 2.609 760 Y HA 0.589 5.139 4.550 0.001 0.000 0.336 760 Y C -1.839 173.957 175.900 -0.173 0.000 1.129 760 Y CA -2.012 56.029 58.100 -0.097 0.000 1.040 760 Y CB 0.630 39.041 38.460 -0.082 0.000 1.310 760 Y HN 0.414 nan 8.280 nan 0.000 0.460 761 W N 2.646 124.021 121.300 0.124 0.000 2.512 761 W HA 0.778 5.438 4.660 0.001 0.000 0.335 761 W C -1.209 175.340 176.519 0.050 0.000 1.088 761 W CA -0.799 56.577 57.345 0.052 0.000 1.236 761 W CB 1.815 31.335 29.460 0.099 0.000 1.307 761 W HN 0.452 nan 8.180 nan 0.000 0.567 762 L N 3.708 125.071 121.223 0.233 0.000 2.343 762 L HA 0.554 4.894 4.340 0.001 0.000 0.278 762 L C -0.584 176.442 176.870 0.259 0.000 0.996 762 L CA -1.045 53.922 54.840 0.212 0.000 0.831 762 L CB 1.049 43.151 42.059 0.071 0.000 1.232 762 L HN 0.068 nan 8.230 nan 0.000 0.413 763 V N 1.788 121.889 119.914 0.311 0.000 2.547 763 V HA 0.547 4.668 4.120 0.001 0.000 0.299 763 V C -0.750 175.469 176.094 0.209 0.000 1.040 763 V CA -0.531 61.930 62.300 0.269 0.000 0.913 763 V CB 2.081 34.123 31.823 0.364 0.000 0.992 763 V HN 0.837 nan 8.190 nan 0.000 0.449 764 D N 2.872 123.402 120.400 0.217 0.000 2.596 764 D HA 0.752 5.393 4.640 0.001 0.000 0.234 764 D C -0.947 175.511 176.300 0.263 0.000 1.181 764 D CA -0.613 53.524 54.000 0.229 0.000 0.856 764 D CB 1.827 42.805 40.800 0.297 0.000 1.498 764 D HN 0.321 nan 8.370 nan 0.000 0.446 765 L N -0.224 121.117 121.223 0.195 0.000 2.283 765 L HA 0.770 5.111 4.340 0.001 0.000 0.259 765 L C -0.716 176.220 176.870 0.110 0.000 1.027 765 L CA -1.065 53.870 54.840 0.158 0.000 0.828 765 L CB 2.117 44.213 42.059 0.062 0.000 1.380 765 L HN 0.435 nan 8.230 nan 0.000 0.425 766 M N 1.832 121.465 119.600 0.054 0.000 2.333 766 M HA 0.721 5.202 4.480 0.001 0.000 0.286 766 M C -2.346 173.937 176.300 -0.029 0.000 1.113 766 M CA -0.288 54.982 55.300 -0.050 0.000 0.959 766 M CB 2.065 34.534 32.600 -0.218 0.000 1.776 766 M HN 0.713 nan 8.290 nan 0.000 0.492 767 A N 4.547 127.344 122.820 -0.038 0.000 2.488 767 A HA 0.863 5.184 4.320 0.001 0.000 0.298 767 A C -1.542 176.052 177.584 0.018 0.000 1.044 767 A CA -0.752 51.297 52.037 0.020 0.000 0.693 767 A CB 1.889 20.921 19.000 0.054 0.000 1.272 767 A HN 0.907 nan 8.150 nan 0.000 0.402 768 R N 1.280 121.808 120.500 0.046 0.000 2.621 768 R HA 0.625 4.966 4.340 0.001 0.000 0.292 768 R C -2.208 174.159 176.300 0.112 0.000 0.969 768 R CA -0.473 55.658 56.100 0.053 0.000 0.887 768 R CB 1.424 31.723 30.300 -0.003 0.000 1.180 768 R HN 0.776 nan 8.270 nan 0.000 0.450 769 Y N 2.482 122.791 120.300 0.015 0.000 2.331 769 Y HA 0.219 4.769 4.550 0.001 0.000 0.334 769 Y C -0.637 175.273 175.900 0.017 0.000 0.960 769 Y CA -0.651 57.459 58.100 0.016 0.000 1.130 769 Y CB 1.958 40.426 38.460 0.013 0.000 1.164 769 Y HN 0.559 nan 8.280 nan 0.000 0.458 770 Q N 5.967 125.581 119.800 -0.310 0.000 2.664 770 Q HA 0.257 4.598 4.340 0.001 0.000 0.223 770 Q C 0.352 176.312 176.000 -0.065 0.000 1.298 770 Q CA 0.443 56.155 55.803 -0.151 0.000 0.965 770 Q CB -0.363 28.265 28.738 -0.184 0.000 1.510 770 Q HN 0.912 nan 8.270 nan 0.000 0.567 771 I N -0.416 120.271 120.570 0.196 0.000 2.264 771 I HA -0.170 4.001 4.170 0.001 0.000 0.248 771 I C 0.774 176.970 176.117 0.132 0.000 1.111 771 I CA 0.812 62.276 61.300 0.274 0.000 1.382 771 I CB -0.114 38.005 38.000 0.198 0.000 1.060 771 I HN 0.315 nan 8.210 nan 0.000 0.418 772 T N -0.702 113.900 114.554 0.080 0.000 2.896 772 T HA 0.182 4.532 4.350 0.001 0.000 0.297 772 T C 0.013 174.744 174.700 0.052 0.000 1.108 772 T CA -0.578 61.558 62.100 0.059 0.000 1.004 772 T CB 1.992 70.893 68.868 0.055 0.000 1.159 772 T HN 0.011 nan 8.240 nan 0.000 0.499 773 D N 0.744 121.174 120.400 0.051 0.000 2.228 773 D HA -0.110 4.531 4.640 0.001 0.000 0.203 773 D C 1.527 177.883 176.300 0.093 0.000 0.988 773 D CA 1.116 55.149 54.000 0.055 0.000 0.864 773 D CB 0.229 41.061 40.800 0.054 0.000 0.928 773 D HN 0.186 nan 8.370 nan 0.000 0.469 774 K N -0.880 119.604 120.400 0.140 0.000 2.391 774 K HA 0.272 4.592 4.320 0.001 0.000 0.197 774 K C -0.160 176.620 176.600 0.299 0.000 1.087 774 K CA -0.229 56.211 56.287 0.255 0.000 1.012 774 K CB 1.207 33.926 32.500 0.365 0.000 0.925 774 K HN 0.110 nan 8.250 nan 0.000 0.547 775 L N 1.555 122.878 121.223 0.168 0.000 2.441 775 L HA 0.304 4.644 4.340 0.001 0.000 0.270 775 L C -0.815 176.116 176.870 0.101 0.000 0.973 775 L CA -0.330 54.592 54.840 0.137 0.000 0.842 775 L CB 1.810 43.894 42.059 0.041 0.000 1.239 775 L HN 0.120 nan 8.230 nan 0.000 0.406 776 S N 3.390 119.150 115.700 0.101 0.000 2.607 776 S HA 1.018 5.488 4.470 0.001 0.000 0.303 776 S C -0.536 174.123 174.600 0.099 0.000 1.086 776 S CA -0.301 57.952 58.200 0.087 0.000 0.995 776 S CB 2.051 65.278 63.200 0.046 0.000 1.084 776 S HN 1.014 nan 8.310 nan 0.000 0.507 777 A N 1.233 124.123 122.820 0.116 0.000 2.414 777 A HA 0.847 5.167 4.320 0.001 0.000 0.306 777 A C -0.320 177.328 177.584 0.107 0.000 1.054 777 A CA -0.717 51.389 52.037 0.115 0.000 0.724 777 A CB 1.619 20.693 19.000 0.124 0.000 1.267 777 A HN 0.822 nan 8.150 nan 0.000 0.418 778 S N -0.521 115.227 115.700 0.080 0.000 2.677 778 S HA 0.818 5.289 4.470 0.001 0.000 0.304 778 S C -1.054 173.527 174.600 -0.032 0.000 1.108 778 S CA -0.620 57.594 58.200 0.023 0.000 0.944 778 S CB 1.870 65.060 63.200 -0.017 0.000 1.127 778 S HN 1.659 nan 8.310 nan 0.000 0.511 779 V N 1.780 121.615 119.914 -0.133 0.000 2.777 779 V HA 0.585 4.705 4.120 0.001 0.000 0.306 779 V C -2.070 173.861 176.094 -0.273 0.000 1.112 779 V CA -0.592 61.491 62.300 -0.362 0.000 0.917 779 V CB 1.892 33.464 31.823 -0.419 0.000 1.018 779 V HN 0.913 nan 8.190 nan 0.000 0.426 780 N N 4.096 122.615 118.700 -0.303 0.000 2.342 780 N HA 0.730 5.471 4.740 0.001 0.000 0.293 780 N C -1.182 174.228 175.510 -0.166 0.000 1.026 780 N CA -0.396 52.561 53.050 -0.155 0.000 0.857 780 N CB 2.318 40.767 38.487 -0.065 0.000 1.256 780 N HN 0.517 nan 8.380 nan 0.000 0.484 781 V N 2.513 122.382 119.914 -0.075 0.000 2.409 781 V HA 0.486 4.606 4.120 0.001 0.000 0.291 781 V C -0.534 175.586 176.094 0.043 0.000 1.020 781 V CA -0.849 61.419 62.300 -0.052 0.000 0.848 781 V CB 1.181 32.964 31.823 -0.068 0.000 0.990 781 V HN 0.646 nan 8.190 nan 0.000 0.430 782 N N 3.280 122.018 118.700 0.063 0.000 2.404 782 N HA 0.346 5.087 4.740 0.001 0.000 0.297 782 N C 0.214 175.806 175.510 0.135 0.000 1.163 782 N CA -0.714 52.420 53.050 0.140 0.000 0.864 782 N CB 0.961 39.556 38.487 0.180 0.000 1.247 782 N HN 0.682 nan 8.380 nan 0.000 0.510 783 N N 0.189 118.997 118.700 0.180 0.000 2.705 783 N HA -0.155 4.586 4.740 0.001 0.000 0.255 783 N C 0.557 176.142 175.510 0.125 0.000 1.008 783 N CA 0.175 53.344 53.050 0.199 0.000 0.742 783 N CB -0.959 37.675 38.487 0.245 0.000 0.906 783 N HN 0.402 nan 8.380 nan 0.000 0.541 784 V N -0.366 119.574 119.914 0.043 0.000 2.317 784 V HA -0.265 3.855 4.120 0.001 0.000 0.251 784 V C 1.684 177.624 176.094 -0.258 0.000 1.065 784 V CA 2.228 64.424 62.300 -0.173 0.000 1.049 784 V CB -0.559 31.042 31.823 -0.370 0.000 0.651 784 V HN 0.460 nan 8.190 nan 0.000 0.450 785 F N -0.297 119.707 119.950 0.091 0.000 2.664 785 F HA 0.270 4.798 4.527 0.001 0.000 0.301 785 F C 1.083 176.941 175.800 0.095 0.000 1.126 785 F CA -0.025 58.025 58.000 0.084 0.000 1.373 785 F CB -0.675 38.376 39.000 0.084 0.000 1.042 785 F HN 0.140 nan 8.300 nan 0.000 0.535 786 D N 1.430 121.951 120.400 0.203 0.000 2.733 786 D HA -0.284 4.356 4.640 0.001 0.000 0.232 786 D C 0.405 176.815 176.300 0.184 0.000 1.161 786 D CA 0.520 54.619 54.000 0.165 0.000 0.653 786 D CB -0.714 40.156 40.800 0.117 0.000 1.052 786 D HN 0.174 nan 8.370 nan 0.000 0.424 787 K N 0.376 120.926 120.400 0.249 0.000 2.484 787 K HA 0.143 4.464 4.320 0.001 0.000 0.280 787 K C -0.063 176.680 176.600 0.239 0.000 1.013 787 K CA 0.358 56.791 56.287 0.244 0.000 1.029 787 K CB 0.539 33.206 32.500 0.278 0.000 0.902 787 K HN 0.182 nan 8.250 nan 0.000 0.481 788 T N 4.194 118.827 114.554 0.133 0.000 2.767 788 T HA 0.533 4.884 4.350 0.001 0.000 0.288 788 T C -0.912 173.814 174.700 0.044 0.000 0.963 788 T CA -0.438 61.672 62.100 0.016 0.000 1.019 788 T CB 0.107 68.909 68.868 -0.110 0.000 0.923 788 T HN 0.544 nan 8.240 nan 0.000 0.468 789 Y N 1.566 121.746 120.300 -0.200 0.000 2.670 789 Y HA 0.695 5.246 4.550 0.001 0.000 0.334 789 Y C -2.253 173.496 175.900 -0.252 0.000 1.185 789 Y CA -2.095 55.808 58.100 -0.328 0.000 1.053 789 Y CB 0.844 38.937 38.460 -0.613 0.000 1.298 789 Y HN 0.561 nan 8.280 nan 0.000 0.459 790 Y N 0.447 120.832 120.300 0.140 0.000 2.360 790 Y HA 0.461 5.011 4.550 0.001 0.000 0.337 790 Y C 1.125 177.265 175.900 0.400 0.000 1.039 790 Y CA -0.101 58.105 58.100 0.176 0.000 1.109 790 Y CB 2.386 41.016 38.460 0.283 0.000 1.201 790 Y HN 0.798 nan 8.280 nan 0.000 0.458 791 T N -2.419 112.393 114.554 0.429 0.000 3.001 791 T HA 0.173 4.523 4.350 0.001 0.000 0.251 791 T C 0.005 175.016 174.700 0.517 0.000 1.040 791 T CA 0.018 62.420 62.100 0.503 0.000 0.985 791 T CB -0.133 68.889 68.868 0.258 0.000 1.011 791 T HN 0.512 nan 8.240 nan 0.000 0.509 792 N N 0.309 119.138 118.700 0.215 0.000 2.503 792 N HA 0.448 5.189 4.740 0.001 0.000 0.287 792 N C -1.952 173.223 175.510 -0.559 0.000 1.096 792 N CA -0.768 52.111 53.050 -0.286 0.000 0.936 792 N CB 1.265 39.645 38.487 -0.178 0.000 1.570 792 N HN 0.268 nan 8.380 nan 0.000 0.504 793 I N 2.828 122.717 120.570 -1.135 0.000 2.447 793 I HA 0.623 4.793 4.170 0.001 0.000 0.287 793 I C 0.941 176.623 176.117 -0.725 0.000 1.023 793 I CA -0.454 60.320 61.300 -0.877 0.000 1.083 793 I CB 1.889 39.408 38.000 -0.802 0.000 1.245 793 I HN 0.940 nan 8.210 nan 0.000 0.434 794 G N 5.075 113.561 108.800 -0.524 0.000 2.316 794 G HA2 -0.263 3.697 3.960 0.001 0.000 0.203 794 G HA3 -0.263 3.697 3.960 0.001 0.000 0.203 794 G C 0.145 174.915 174.900 -0.217 0.000 0.999 794 G CA -0.644 44.250 45.100 -0.343 0.000 0.649 794 G HN 0.471 nan 8.290 nan 0.000 0.489 795 F N 3.315 123.079 119.950 -0.310 0.000 2.504 795 F HA 0.465 4.993 4.527 0.001 0.000 0.365 795 F C 0.979 176.701 175.800 -0.129 0.000 1.140 795 F CA -0.131 57.744 58.000 -0.209 0.000 1.077 795 F CB -0.793 38.177 39.000 -0.050 0.000 1.106 795 F HN 0.344 nan 8.300 nan 0.000 0.578 796 Y N 3.560 123.505 120.300 -0.591 0.000 3.037 796 Y HA -0.305 4.245 4.550 0.001 0.000 0.204 796 Y C 1.092 176.803 175.900 -0.315 0.000 1.275 796 Y CA 0.709 58.519 58.100 -0.484 0.000 1.066 796 Y CB -2.581 35.497 38.460 -0.636 0.000 1.305 796 Y HN 0.755 nan 8.280 nan 0.000 0.499 797 T N -0.889 113.557 114.554 -0.181 0.000 3.882 797 T HA -0.111 4.240 4.350 0.001 0.000 0.366 797 T C 0.207 174.724 174.700 -0.305 0.000 0.760 797 T CA 0.962 62.935 62.100 -0.212 0.000 1.931 797 T CB -1.430 67.381 68.868 -0.094 0.000 1.807 797 T HN 1.135 nan 8.240 nan 0.000 0.790 798 S N -1.267 114.230 115.700 -0.338 0.000 2.697 798 S HA 0.949 5.420 4.470 0.001 0.000 0.289 798 S C -0.708 173.548 174.600 -0.573 0.000 1.149 798 S CA -0.448 57.503 58.200 -0.415 0.000 0.850 798 S CB 2.684 65.764 63.200 -0.200 0.000 1.151 798 S HN 1.366 nan 8.310 nan 0.000 0.491 799 A N 0.437 122.766 122.820 -0.817 0.000 2.539 799 A HA 0.867 5.187 4.320 0.001 0.000 0.296 799 A C -0.701 176.523 177.584 -0.600 0.000 1.073 799 A CA -0.699 50.881 52.037 -0.763 0.000 0.700 799 A CB 1.685 20.149 19.000 -0.893 0.000 1.296 799 A HN 0.878 nan 8.150 nan 0.000 0.405 800 S N -0.131 115.432 115.700 -0.229 0.000 2.548 800 S HA 0.688 5.158 4.470 0.001 0.000 0.286 800 S C -1.467 173.153 174.600 0.034 0.000 1.098 800 S CA -0.248 57.936 58.200 -0.026 0.000 0.930 800 S CB 0.857 64.075 63.200 0.031 0.000 1.070 800 S HN 0.482 nan 8.310 nan 0.000 0.480 801 Y N 1.124 121.552 120.300 0.213 0.000 2.320 801 Y HA 0.545 5.096 4.550 0.001 0.000 0.324 801 Y C 1.160 176.947 175.900 -0.189 0.000 1.190 801 Y CA -0.201 57.880 58.100 -0.033 0.000 1.215 801 Y CB 0.679 39.137 38.460 -0.004 0.000 1.221 801 Y HN 0.791 nan 8.280 nan 0.000 0.486 802 G N 1.057 109.558 108.800 -0.498 0.000 2.539 802 G HA2 0.169 4.130 3.960 0.001 0.000 0.258 802 G HA3 0.169 4.130 3.960 0.001 0.000 0.258 802 G C -0.990 173.589 174.900 -0.535 0.000 1.202 802 G CA -0.778 43.887 45.100 -0.726 0.000 0.851 802 G HN 0.581 nan 8.290 nan 0.000 0.556 803 D N 1.818 122.099 120.400 -0.197 0.000 2.487 803 D HA 0.232 4.873 4.640 0.001 0.000 0.243 803 D C -1.716 174.501 176.300 -0.138 0.000 1.154 803 D CA -0.198 53.661 54.000 -0.235 0.000 0.876 803 D CB 0.819 41.749 40.800 0.215 0.000 1.161 803 D HN 0.063 nan 8.370 nan 0.000 0.478 804 P HA -0.014 nan 4.420 nan 0.000 0.272 804 P C 0.122 177.556 177.300 0.223 0.000 1.248 804 P CA -0.471 62.621 63.100 -0.013 0.000 0.799 804 P CB 0.479 32.169 31.700 -0.016 0.000 0.997 805 R N 1.756 122.358 120.500 0.170 0.000 2.538 805 R HA -0.073 4.267 4.340 0.001 0.000 0.273 805 R C -0.307 176.032 176.300 0.065 0.000 0.967 805 R CA 0.917 57.088 56.100 0.119 0.000 1.101 805 R CB -0.787 29.553 30.300 0.067 0.000 0.908 805 R HN 0.735 nan 8.270 nan 0.000 0.411 806 N N 2.249 120.934 118.700 -0.024 0.000 2.405 806 N HA 0.362 5.103 4.740 0.001 0.000 0.274 806 N C -1.939 173.474 175.510 -0.160 0.000 1.170 806 N CA -0.930 51.980 53.050 -0.232 0.000 0.848 806 N CB 1.117 39.393 38.487 -0.352 0.000 1.629 806 N HN 0.213 nan 8.380 nan 0.000 0.481 807 L N 0.276 121.373 121.223 -0.210 0.000 2.330 807 L HA 0.756 5.097 4.340 0.001 0.000 0.271 807 L C -0.551 176.207 176.870 -0.186 0.000 1.013 807 L CA -0.756 53.962 54.840 -0.203 0.000 0.816 807 L CB 1.637 43.594 42.059 -0.170 0.000 1.287 807 L HN 0.838 nan 8.230 nan 0.000 0.435 808 M N 2.180 121.625 119.600 -0.258 0.000 2.204 808 M HA 0.574 5.055 4.480 0.001 0.000 0.293 808 M C -1.926 174.215 176.300 -0.266 0.000 0.994 808 M CA -0.172 55.039 55.300 -0.148 0.000 0.925 808 M CB 1.190 33.746 32.600 -0.073 0.000 1.577 808 M HN 0.230 nan 8.290 nan 0.000 0.439 809 F N 2.304 122.239 119.950 -0.025 0.000 2.420 809 F HA 0.717 5.244 4.527 0.001 0.000 0.342 809 F C 0.389 176.199 175.800 0.016 0.000 1.113 809 F CA -0.124 57.873 58.000 -0.005 0.000 1.059 809 F CB 1.920 40.916 39.000 -0.008 0.000 1.128 809 F HN 0.557 nan 8.300 nan 0.000 0.475 810 S N 1.040 116.836 115.700 0.161 0.000 2.542 810 S HA 0.764 5.235 4.470 0.001 0.000 0.293 810 S C -0.897 173.778 174.600 0.126 0.000 1.089 810 S CA -0.652 57.619 58.200 0.118 0.000 0.961 810 S CB 1.823 65.058 63.200 0.057 0.000 1.062 810 S HN 0.555 nan 8.310 nan 0.000 0.483 811 T N 2.718 117.347 114.554 0.125 0.000 2.928 811 T HA 0.475 4.825 4.350 0.001 0.000 0.296 811 T C -0.767 174.019 174.700 0.143 0.000 1.000 811 T CA -0.654 61.520 62.100 0.125 0.000 0.989 811 T CB 1.284 70.223 68.868 0.120 0.000 1.005 811 T HN 0.475 nan 8.240 nan 0.000 0.442 812 R N 2.025 122.608 120.500 0.137 0.000 2.494 812 R HA 0.482 4.823 4.340 0.001 0.000 0.305 812 R C -1.733 174.714 176.300 0.245 0.000 0.959 812 R CA -0.771 55.424 56.100 0.159 0.000 0.864 812 R CB 1.233 31.567 30.300 0.056 0.000 1.159 812 R HN 0.635 nan 8.270 nan 0.000 0.446 813 W N 5.247 126.587 121.300 0.066 0.000 2.361 813 W HA 0.348 5.007 4.660 -0.000 0.000 0.314 813 W C -1.441 175.075 176.519 -0.005 0.000 1.041 813 W CA -1.264 56.125 57.345 0.072 0.000 1.241 813 W CB 0.991 30.534 29.460 0.139 0.000 1.279 813 W HN 0.587 nan 8.180 nan 0.000 0.436 814 D N 6.053 126.531 120.400 0.129 0.000 2.198 814 D HA 0.407 5.048 4.640 0.001 0.000 0.245 814 D C -0.257 175.917 176.300 -0.211 0.000 1.079 814 D CA 0.111 53.997 54.000 -0.189 0.000 0.854 814 D CB 0.922 41.695 40.800 -0.045 0.000 1.148 814 D HN 0.105 nan 8.370 nan 0.000 0.456 815 F N 0.000 119.836 119.950 -0.190 0.000 2.286 815 F HA 0.000 4.528 4.527 0.002 0.000 0.279 815 F CA 0.000 57.967 58.000 -0.054 0.000 1.383 815 F CB 0.000 38.933 39.000 -0.111 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574