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 2w6u_1_A DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVAEAADS SVDLGATMIT SNQLGTITED 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 0.000 176.028 176.000 0.047 0.000 1.003 44 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 44 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 45 E N 0.958 121.189 120.200 0.051 0.000 2.568 45 E HA 0.126 4.468 4.350 -0.014 0.000 0.262 45 E C -0.873 175.736 176.600 0.016 0.000 0.961 45 E CA 0.472 56.908 56.400 0.060 0.000 0.945 45 E CB 0.689 30.422 29.700 0.056 0.000 0.924 45 E HN 0.260 nan 8.360 nan 0.000 0.467 46 V N 3.050 122.957 119.914 -0.013 0.000 3.001 46 V HA 0.189 4.301 4.120 -0.014 0.000 0.314 46 V C -0.511 175.365 176.094 -0.363 0.000 1.099 46 V CA -0.848 61.302 62.300 -0.251 0.000 0.989 46 V CB 2.040 33.550 31.823 -0.522 0.000 1.040 46 V HN 0.642 nan 8.190 nan 0.000 0.434 47 E N 1.573 121.525 120.200 -0.414 0.000 2.105 47 E HA 0.453 4.795 4.350 -0.014 0.000 0.285 47 E C -1.489 174.874 176.600 -0.395 0.000 1.055 47 E CA 0.085 56.327 56.400 -0.263 0.000 0.843 47 E CB 0.298 29.913 29.700 -0.142 0.000 1.067 47 E HN 0.370 nan 8.360 nan 0.000 0.398 48 F N 2.404 122.344 119.950 -0.017 0.000 2.458 48 F HA 0.402 4.921 4.527 -0.013 0.000 0.330 48 F C 0.028 175.829 175.800 0.002 0.000 1.082 48 F CA -0.843 57.145 58.000 -0.020 0.000 0.995 48 F CB 1.746 40.752 39.000 0.009 0.000 1.170 48 F HN 0.295 nan 8.300 nan 0.000 0.478 49 D N 2.897 123.446 120.400 0.249 0.000 2.584 49 D HA 0.290 4.922 4.640 -0.014 0.000 0.238 49 D C -1.407 174.972 176.300 0.131 0.000 1.302 49 D CA 0.051 54.138 54.000 0.145 0.000 0.884 49 D CB 0.073 40.925 40.800 0.087 0.000 1.456 49 D HN 0.364 nan 8.370 nan 0.000 0.528 50 I N 4.100 124.745 120.570 0.126 0.000 2.464 50 I HA 0.325 4.487 4.170 -0.014 0.000 0.277 50 I C -2.064 174.087 176.117 0.057 0.000 1.040 50 I CA -1.774 59.583 61.300 0.094 0.000 1.153 50 I CB 1.869 39.938 38.000 0.114 0.000 1.274 50 I HN 0.062 nan 8.210 nan 0.000 0.469 51 P HA 0.162 nan 4.420 nan 0.000 0.269 51 P C -2.606 174.706 177.300 0.021 0.000 1.215 51 P CA -1.401 61.718 63.100 0.032 0.000 0.780 51 P CB -0.307 31.412 31.700 0.032 0.000 0.898 52 P HA 0.068 nan 4.420 nan 0.000 0.267 52 P C -0.323 176.979 177.300 0.003 0.000 1.209 52 P CA 0.628 63.728 63.100 0.001 0.000 0.763 52 P CB 0.161 31.860 31.700 -0.001 0.000 0.816 53 Q N 1.808 121.606 119.800 -0.003 0.000 2.832 53 Q HA 0.714 5.045 4.340 -0.014 0.000 0.322 53 Q C -1.133 174.861 176.000 -0.010 0.000 0.842 53 Q CA -1.434 54.370 55.803 0.001 0.000 0.780 53 Q CB 0.575 29.319 28.738 0.009 0.000 1.411 53 Q HN 0.285 nan 8.270 nan 0.000 0.490 54 A N 0.810 123.628 122.820 -0.004 0.000 2.565 54 A HA 0.100 4.412 4.320 -0.014 0.000 0.237 54 A C 0.753 178.307 177.584 -0.049 0.000 1.053 54 A CA -0.129 51.899 52.037 -0.014 0.000 0.755 54 A CB -0.010 18.995 19.000 0.008 0.000 0.980 54 A HN 0.723 nan 8.150 nan 0.000 0.506 55 L N 3.799 124.974 121.223 -0.080 0.000 2.079 55 L HA -0.056 4.276 4.340 -0.014 0.000 0.210 55 L C 2.249 178.984 176.870 -0.224 0.000 1.081 55 L CA 2.816 57.570 54.840 -0.143 0.000 0.752 55 L CB -1.208 40.760 42.059 -0.151 0.000 0.896 55 L HN 0.838 nan 8.230 nan 0.000 0.433 56 G N -1.120 107.561 108.800 -0.199 0.000 2.545 56 G HA2 -0.334 3.618 3.960 -0.014 0.000 0.217 56 G HA3 -0.334 3.618 3.960 -0.014 0.000 0.217 56 G C 1.518 176.369 174.900 -0.083 0.000 1.218 56 G CA 1.148 46.127 45.100 -0.200 0.000 0.787 56 G HN 0.513 nan 8.290 nan 0.000 0.571 57 S N 1.243 116.935 115.700 -0.013 0.000 2.400 57 S HA -0.037 4.425 4.470 -0.014 0.000 0.232 57 S C 2.646 177.253 174.600 0.011 0.000 1.025 57 S CA 1.328 59.538 58.200 0.017 0.000 0.993 57 S CB -0.351 62.861 63.200 0.020 0.000 0.808 57 S HN 0.659 nan 8.310 nan 0.000 0.478 58 A N 1.317 124.121 122.820 -0.027 0.000 1.929 58 A HA 0.148 4.460 4.320 -0.014 0.000 0.216 58 A C 2.116 179.705 177.584 0.009 0.000 1.176 58 A CA 0.785 52.817 52.037 -0.008 0.000 0.628 58 A CB -0.574 18.398 19.000 -0.047 0.000 0.816 58 A HN 0.430 nan 8.150 nan 0.000 0.444 59 L N -1.237 119.932 121.223 -0.089 0.000 2.056 59 L HA -0.219 4.113 4.340 -0.014 0.000 0.207 59 L C 2.842 179.792 176.870 0.133 0.000 1.078 59 L CA 1.659 56.459 54.840 -0.067 0.000 0.749 59 L CB -0.385 41.456 42.059 -0.364 0.000 0.901 59 L HN 0.405 nan 8.230 nan 0.000 0.433 60 Q N -0.321 119.561 119.800 0.137 0.000 2.226 60 Q HA -0.238 4.094 4.340 -0.014 0.000 0.204 60 Q C 2.021 178.110 176.000 0.147 0.000 0.975 60 Q CA 1.400 57.308 55.803 0.174 0.000 0.866 60 Q CB 0.123 28.954 28.738 0.155 0.000 0.915 60 Q HN 0.368 nan 8.270 nan 0.000 0.440 61 E N -1.287 118.993 120.200 0.133 0.000 2.158 61 E HA -0.110 4.232 4.350 -0.014 0.000 0.191 61 E C 1.279 177.974 176.600 0.159 0.000 0.982 61 E CA 0.409 56.880 56.400 0.118 0.000 0.823 61 E CB -0.002 29.757 29.700 0.099 0.000 0.766 61 E HN 0.370 nan 8.360 nan 0.000 0.468 62 F N 0.446 120.433 119.950 0.061 0.000 2.113 62 F HA -0.034 4.485 4.527 -0.013 0.000 0.297 62 F C 2.047 177.919 175.800 0.121 0.000 1.103 62 F CA 1.824 59.881 58.000 0.096 0.000 1.248 62 F CB -0.626 38.387 39.000 0.021 0.000 0.999 62 F HN 0.049 nan 8.300 nan 0.000 0.475 63 G N 0.314 109.278 108.800 0.274 0.000 2.505 63 G HA2 -0.303 3.649 3.960 -0.014 0.000 0.220 63 G HA3 -0.303 3.649 3.960 -0.014 0.000 0.220 63 G C 1.869 176.797 174.900 0.048 0.000 1.145 63 G CA 1.025 46.230 45.100 0.176 0.000 0.761 63 G HN 0.316 nan 8.290 nan 0.000 0.571 64 R N -0.390 120.132 120.500 0.037 0.000 2.056 64 R HA 0.012 4.344 4.340 -0.014 0.000 0.227 64 R C 2.892 179.070 176.300 -0.204 0.000 1.149 64 R CA 1.366 57.477 56.100 0.020 0.000 0.937 64 R CB -0.408 29.934 30.300 0.070 0.000 0.835 64 R HN 0.366 nan 8.270 nan 0.000 0.430 65 Q N -0.547 119.048 119.800 -0.342 0.000 2.308 65 Q HA -0.136 4.196 4.340 -0.014 0.000 0.209 65 Q C 1.410 176.986 176.000 -0.707 0.000 0.985 65 Q CA 1.620 56.991 55.803 -0.720 0.000 0.881 65 Q CB 0.107 28.643 28.738 -0.337 0.000 0.917 65 Q HN 0.348 nan 8.270 nan 0.000 0.443 66 A N -0.147 122.423 122.820 -0.416 0.000 2.390 66 A HA 0.051 4.363 4.320 -0.014 0.000 0.232 66 A C -0.136 177.376 177.584 -0.120 0.000 1.233 66 A CA 0.111 51.957 52.037 -0.318 0.000 0.907 66 A CB 0.532 19.264 19.000 -0.445 0.000 0.967 66 A HN 0.282 nan 8.150 nan 0.000 0.512 67 D N -1.042 119.333 120.400 -0.042 0.000 2.983 67 D HA -0.164 4.468 4.640 -0.014 0.000 0.225 67 D C -0.089 176.252 176.300 0.068 0.000 1.174 67 D CA 1.153 55.191 54.000 0.064 0.000 0.831 67 D CB -1.436 39.418 40.800 0.089 0.000 1.104 67 D HN 0.546 nan 8.370 nan 0.000 0.421 68 I N 0.185 120.798 120.570 0.071 0.000 2.646 68 I HA 0.166 4.328 4.170 -0.014 0.000 0.299 68 I C 0.430 176.631 176.117 0.140 0.000 1.036 68 I CA -0.795 60.577 61.300 0.120 0.000 1.074 68 I CB 2.307 40.410 38.000 0.172 0.000 1.258 68 I HN -0.215 nan 8.210 nan 0.000 0.430 69 Q N 4.280 124.161 119.800 0.134 0.000 2.256 69 Q HA 0.474 4.805 4.340 -0.014 0.000 0.254 69 Q C -1.571 174.513 176.000 0.141 0.000 0.916 69 Q CA -0.585 55.294 55.803 0.125 0.000 0.932 69 Q CB 1.676 30.468 28.738 0.090 0.000 1.207 69 Q HN 0.426 nan 8.270 nan 0.000 0.426 70 V N 5.767 125.778 119.914 0.162 0.000 2.417 70 V HA 0.433 4.545 4.120 -0.014 0.000 0.291 70 V C -0.266 175.913 176.094 0.141 0.000 1.024 70 V CA -0.710 61.696 62.300 0.178 0.000 0.861 70 V CB 1.284 33.258 31.823 0.252 0.000 0.985 70 V HN 0.670 nan 8.190 nan 0.000 0.436 71 L N 6.221 127.496 121.223 0.085 0.000 2.329 71 L HA 0.775 5.107 4.340 -0.014 0.000 0.279 71 L C -0.756 176.149 176.870 0.058 0.000 1.014 71 L CA -0.719 54.110 54.840 -0.019 0.000 0.814 71 L CB 1.535 43.569 42.059 -0.041 0.000 1.257 71 L HN 0.827 nan 8.230 nan 0.000 0.424 72 Y N -0.041 120.241 120.300 -0.030 0.000 2.638 72 Y HA 0.640 5.182 4.550 -0.014 0.000 0.335 72 Y C -1.019 174.859 175.900 -0.038 0.000 1.155 72 Y CA -1.577 56.498 58.100 -0.041 0.000 1.046 72 Y CB 1.248 39.683 38.460 -0.041 0.000 1.303 72 Y HN 0.372 nan 8.280 nan 0.000 0.460 73 R N 2.321 122.894 120.500 0.122 0.000 2.221 73 R HA 0.321 4.653 4.340 -0.014 0.000 0.327 73 R C -2.237 174.151 176.300 0.146 0.000 1.033 73 R CA -1.653 54.468 56.100 0.036 0.000 0.887 73 R CB 0.981 31.285 30.300 0.008 0.000 1.057 73 R HN 0.449 nan 8.270 nan 0.000 0.455 74 P HA -0.290 nan 4.420 nan 0.000 0.214 74 P C 1.024 178.392 177.300 0.112 0.000 1.169 74 P CA 1.334 64.522 63.100 0.148 0.000 0.908 74 P CB 0.208 31.949 31.700 0.069 0.000 0.791 75 E N 0.342 120.575 120.200 0.055 0.000 2.472 75 E HA -0.198 4.143 4.350 -0.014 0.000 0.200 75 E C 1.403 178.026 176.600 0.038 0.000 1.046 75 E CA 1.235 57.660 56.400 0.042 0.000 0.871 75 E CB -0.796 28.913 29.700 0.015 0.000 0.806 75 E HN 0.390 nan 8.360 nan 0.000 0.533 76 E N 0.309 120.538 120.200 0.048 0.000 2.190 76 E HA -0.027 4.315 4.350 -0.014 0.000 0.191 76 E C 1.574 178.185 176.600 0.018 0.000 0.978 76 E CA 0.991 57.409 56.400 0.030 0.000 0.839 76 E CB 0.539 30.256 29.700 0.029 0.000 0.787 76 E HN 0.273 nan 8.360 nan 0.000 0.473 77 V N -0.861 119.071 119.914 0.030 0.000 3.249 77 V HA 0.274 4.385 4.120 -0.014 0.000 0.338 77 V C 1.517 177.604 176.094 -0.012 0.000 1.363 77 V CA 0.000 62.283 62.300 -0.029 0.000 1.205 77 V CB 0.104 31.848 31.823 -0.132 0.000 1.164 77 V HN 0.028 nan 8.190 nan 0.000 0.458 78 R N 2.345 122.857 120.500 0.020 0.000 2.080 78 R HA 0.059 4.391 4.340 -0.014 0.000 0.222 78 R C 1.077 177.392 176.300 0.025 0.000 1.107 78 R CA 1.704 57.827 56.100 0.038 0.000 0.980 78 R CB 0.152 30.485 30.300 0.056 0.000 0.879 78 R HN 0.721 nan 8.270 nan 0.000 0.439 79 N N 0.265 118.973 118.700 0.013 0.000 2.480 79 N HA 0.161 4.893 4.740 -0.014 0.000 0.281 79 N C -1.265 174.244 175.510 -0.001 0.000 1.381 79 N CA -0.323 52.734 53.050 0.012 0.000 0.903 79 N CB 0.782 39.278 38.487 0.016 0.000 1.274 79 N HN 0.050 nan 8.380 nan 0.000 0.505 80 K N 0.233 120.625 120.400 -0.012 0.000 2.385 80 K HA 0.563 4.875 4.320 -0.014 0.000 0.248 80 K C -0.575 176.004 176.600 -0.034 0.000 0.955 80 K CA -0.615 55.657 56.287 -0.027 0.000 0.816 80 K CB 2.468 34.944 32.500 -0.040 0.000 1.250 80 K HN -0.015 nan 8.250 nan 0.000 0.434 81 R N 0.195 120.674 120.500 -0.036 0.000 2.795 81 R HA 0.348 4.680 4.340 -0.014 0.000 0.275 81 R C -0.832 175.439 176.300 -0.049 0.000 0.981 81 R CA -0.747 55.331 56.100 -0.037 0.000 0.917 81 R CB 2.172 32.460 30.300 -0.020 0.000 1.202 81 R HN 0.803 nan 8.270 nan 0.000 0.469 82 S N 0.170 115.838 115.700 -0.053 0.000 2.616 82 S HA 0.436 4.898 4.470 -0.014 0.000 0.277 82 S C -0.045 174.528 174.600 -0.045 0.000 1.234 82 S CA -0.816 57.346 58.200 -0.065 0.000 1.028 82 S CB 1.552 64.707 63.200 -0.075 0.000 0.988 82 S HN 0.537 nan 8.310 nan 0.000 0.522 83 S N 1.382 117.053 115.700 -0.049 0.000 2.610 83 S HA 0.686 5.148 4.470 -0.014 0.000 0.273 83 S C 0.407 174.991 174.600 -0.027 0.000 1.274 83 S CA -0.690 57.490 58.200 -0.033 0.000 1.023 83 S CB 0.677 63.858 63.200 -0.032 0.000 0.962 83 S HN 1.299 nan 8.310 nan 0.000 0.523 84 A N 1.870 124.683 122.820 -0.011 0.000 2.587 84 A HA 0.374 4.685 4.320 -0.014 0.000 0.235 84 A C 0.305 177.889 177.584 -0.001 0.000 1.044 84 A CA -0.163 51.875 52.037 0.001 0.000 0.754 84 A CB -0.931 18.074 19.000 0.009 0.000 0.968 84 A HN 0.975 nan 8.150 nan 0.000 0.509 85 I N -0.656 119.921 120.570 0.012 0.000 2.499 85 I HA 0.802 4.964 4.170 -0.014 0.000 0.288 85 I C -0.616 175.538 176.117 0.063 0.000 1.048 85 I CA -1.054 60.255 61.300 0.015 0.000 1.062 85 I CB 2.238 40.215 38.000 -0.038 0.000 1.238 85 I HN 0.410 nan 8.210 nan 0.000 0.426 86 K N 3.986 124.429 120.400 0.071 0.000 2.507 86 K HA 0.879 5.191 4.320 -0.014 0.000 0.251 86 K C -0.416 176.249 176.600 0.109 0.000 0.943 86 K CA 0.160 56.504 56.287 0.095 0.000 0.794 86 K CB 2.001 34.540 32.500 0.065 0.000 1.188 86 K HN 1.193 nan 8.250 nan 0.000 0.428 87 G N 2.106 110.989 108.800 0.139 0.000 2.371 87 G HA2 -0.063 3.889 3.960 -0.014 0.000 0.663 87 G HA3 -0.063 3.889 3.960 -0.014 0.000 0.663 87 G C -1.492 173.495 174.900 0.144 0.000 1.311 87 G CA -1.128 44.041 45.100 0.115 0.000 0.985 87 G HN 0.529 nan 8.290 nan 0.000 0.566 88 K N -0.159 120.296 120.400 0.091 0.000 2.447 88 K HA 0.535 4.846 4.320 -0.014 0.000 0.281 88 K C -0.184 176.497 176.600 0.135 0.000 1.031 88 K CA 0.288 56.623 56.287 0.080 0.000 1.019 88 K CB 0.027 32.553 32.500 0.044 0.000 0.918 88 K HN 0.441 nan 8.250 nan 0.000 0.476 89 L N 2.835 124.176 121.223 0.198 0.000 2.556 89 L HA 0.237 4.569 4.340 -0.014 0.000 0.257 89 L C -0.740 176.283 176.870 0.256 0.000 0.955 89 L CA -0.839 54.148 54.840 0.246 0.000 0.850 89 L CB 2.372 44.633 42.059 0.336 0.000 1.398 89 L HN 0.626 nan 8.230 nan 0.000 0.412 90 E N 2.702 123.009 120.200 0.178 0.000 2.290 90 E HA 0.101 4.443 4.350 -0.014 0.000 0.277 90 E C -1.683 175.056 176.600 0.232 0.000 1.035 90 E CA -1.561 54.939 56.400 0.166 0.000 0.873 90 E CB 1.328 31.081 29.700 0.089 0.000 1.029 90 E HN 0.271 nan 8.360 nan 0.000 0.419 91 P HA -0.252 nan 4.420 nan 0.000 0.217 91 P C 0.797 178.317 177.300 0.366 0.000 1.148 91 P CA 1.267 64.609 63.100 0.403 0.000 0.834 91 P CB 0.147 32.054 31.700 0.345 0.000 0.783 92 N N -0.799 118.034 118.700 0.220 0.000 2.300 92 N HA -0.136 4.596 4.740 -0.014 0.000 0.179 92 N C 1.783 177.379 175.510 0.143 0.000 1.016 92 N CA 1.002 54.162 53.050 0.184 0.000 0.876 92 N CB -0.867 37.491 38.487 -0.215 0.000 0.979 92 N HN 0.218 nan 8.380 nan 0.000 0.432 93 Q N 0.783 120.636 119.800 0.089 0.000 2.020 93 Q HA 0.031 4.363 4.340 -0.014 0.000 0.202 93 Q C 2.251 178.270 176.000 0.033 0.000 0.982 93 Q CA 2.093 57.930 55.803 0.058 0.000 0.838 93 Q CB -0.292 28.478 28.738 0.052 0.000 0.899 93 Q HN 0.482 nan 8.270 nan 0.000 0.423 94 A N 0.618 123.450 122.820 0.020 0.000 1.909 94 A HA -0.291 4.021 4.320 -0.014 0.000 0.221 94 A C 2.025 179.529 177.584 -0.133 0.000 1.223 94 A CA 2.010 53.971 52.037 -0.127 0.000 0.658 94 A CB -0.955 17.755 19.000 -0.484 0.000 0.831 94 A HN 0.533 nan 8.150 nan 0.000 0.462 95 I N 0.012 120.512 120.570 -0.116 0.000 2.233 95 I HA -0.175 3.986 4.170 -0.014 0.000 0.243 95 I C 2.693 178.666 176.117 -0.241 0.000 1.093 95 I CA 2.481 63.513 61.300 -0.446 0.000 1.380 95 I CB -0.500 37.141 38.000 -0.599 0.000 1.067 95 I HN 0.519 nan 8.210 nan 0.000 0.413 96 T N -2.331 112.176 114.554 -0.078 0.000 2.849 96 T HA -0.223 4.119 4.350 -0.014 0.000 0.270 96 T C 1.811 176.471 174.700 -0.067 0.000 1.066 96 T CA 1.677 63.748 62.100 -0.049 0.000 1.130 96 T CB -0.565 68.317 68.868 0.023 0.000 0.864 96 T HN 0.491 nan 8.240 nan 0.000 0.481 97 E N 0.433 120.589 120.200 -0.073 0.000 2.112 97 E HA 0.100 4.441 4.350 -0.014 0.000 0.190 97 E C 2.059 178.604 176.600 -0.092 0.000 0.979 97 E CA 0.434 56.795 56.400 -0.065 0.000 0.814 97 E CB -0.172 29.499 29.700 -0.049 0.000 0.762 97 E HN 0.529 nan 8.360 nan 0.000 0.460 98 L N 0.513 121.648 121.223 -0.147 0.000 2.093 98 L HA -0.103 4.229 4.340 -0.014 0.000 0.208 98 L C 1.821 178.601 176.870 -0.150 0.000 1.085 98 L CA 0.991 55.736 54.840 -0.159 0.000 0.755 98 L CB 0.067 41.982 42.059 -0.239 0.000 0.904 98 L HN 0.171 nan 8.230 nan 0.000 0.435 99 L N -0.234 120.890 121.223 -0.164 0.000 2.554 99 L HA 0.019 4.351 4.340 -0.014 0.000 0.226 99 L C 1.271 178.086 176.870 -0.092 0.000 1.137 99 L CA -0.195 54.562 54.840 -0.139 0.000 0.863 99 L CB -0.445 41.521 42.059 -0.155 0.000 0.985 99 L HN 0.224 nan 8.230 nan 0.000 0.451 100 R N 1.212 121.666 120.500 -0.076 0.000 2.481 100 R HA -0.008 4.324 4.340 -0.014 0.000 0.291 100 R C 1.086 177.359 176.300 -0.045 0.000 0.934 100 R CA 1.146 57.216 56.100 -0.051 0.000 1.116 100 R CB 0.043 30.320 30.300 -0.040 0.000 0.895 100 R HN 0.337 nan 8.270 nan 0.000 0.410 101 G N 2.417 111.195 108.800 -0.037 0.000 2.199 101 G HA2 -0.342 3.610 3.960 -0.014 0.000 0.254 101 G HA3 -0.342 3.610 3.960 -0.014 0.000 0.254 101 G C 0.609 175.488 174.900 -0.035 0.000 0.982 101 G CA 0.646 45.727 45.100 -0.032 0.000 0.632 101 G HN 0.789 nan 8.290 nan 0.000 0.529 102 T N -2.093 112.433 114.554 -0.046 0.000 3.069 102 T HA 0.464 4.806 4.350 -0.014 0.000 0.252 102 T C 2.338 177.011 174.700 -0.045 0.000 1.053 102 T CA 1.564 63.634 62.100 -0.050 0.000 0.964 102 T CB 0.405 69.230 68.868 -0.072 0.000 1.005 102 T HN 2.163 nan 8.240 nan 0.000 0.532 103 G N 1.319 110.095 108.800 -0.039 0.000 2.189 103 G HA2 -0.133 3.819 3.960 -0.014 0.000 0.267 103 G HA3 -0.133 3.819 3.960 -0.014 0.000 0.267 103 G C 0.342 175.217 174.900 -0.042 0.000 0.975 103 G CA 0.080 45.160 45.100 -0.034 0.000 0.644 103 G HN 1.266 nan 8.290 nan 0.000 0.537 104 A N -0.325 122.461 122.820 -0.057 0.000 2.316 104 A HA 0.850 5.161 4.320 -0.014 0.000 0.284 104 A C 0.542 178.082 177.584 -0.073 0.000 1.115 104 A CA 0.784 52.780 52.037 -0.069 0.000 0.812 104 A CB 1.035 19.979 19.000 -0.093 0.000 1.064 104 A HN 0.898 nan 8.150 nan 0.000 0.489 105 S N -0.701 114.954 115.700 -0.076 0.000 2.689 105 S HA 0.722 5.184 4.470 -0.014 0.000 0.306 105 S C -0.798 173.722 174.600 -0.134 0.000 1.104 105 S CA -0.530 57.622 58.200 -0.080 0.000 0.973 105 S CB 1.748 64.916 63.200 -0.055 0.000 1.121 105 S HN 0.683 nan 8.310 nan 0.000 0.523 106 V N 1.727 121.537 119.914 -0.173 0.000 2.569 106 V HA 0.356 4.468 4.120 -0.014 0.000 0.301 106 V C -1.240 174.629 176.094 -0.375 0.000 1.044 106 V CA -0.742 61.349 62.300 -0.349 0.000 0.874 106 V CB 1.899 33.380 31.823 -0.569 0.000 1.002 106 V HN 0.831 nan 8.190 nan 0.000 0.424 107 D N 3.999 124.208 120.400 -0.319 0.000 2.428 107 D HA 0.369 5.001 4.640 -0.014 0.000 0.221 107 D C -0.415 175.738 176.300 -0.245 0.000 1.123 107 D CA -0.299 53.586 54.000 -0.192 0.000 0.869 107 D CB 0.334 41.081 40.800 -0.089 0.000 1.032 107 D HN 0.246 nan 8.370 nan 0.000 0.506 108 F N 2.534 122.500 119.950 0.026 0.000 2.533 108 F HA 0.099 4.618 4.527 -0.014 0.000 0.378 108 F C 1.313 177.137 175.800 0.040 0.000 1.070 108 F CA 0.222 58.246 58.000 0.040 0.000 1.172 108 F CB 0.556 39.581 39.000 0.041 0.000 1.085 108 F HN 0.336 nan 8.300 nan 0.000 0.552 109 Q N 3.008 122.912 119.800 0.174 0.000 2.928 109 Q HA 0.499 4.831 4.340 -0.014 0.000 0.353 109 Q C 0.503 176.572 176.000 0.116 0.000 0.870 109 Q CA -0.216 55.658 55.803 0.119 0.000 0.963 109 Q CB 0.910 29.687 28.738 0.065 0.000 1.419 109 Q HN 0.856 nan 8.270 nan 0.000 0.396 110 G N 3.131 112.013 108.800 0.135 0.000 2.543 110 G HA2 -0.396 3.556 3.960 -0.014 0.000 0.286 110 G HA3 -0.396 3.556 3.960 -0.014 0.000 0.286 110 G C 0.481 175.455 174.900 0.123 0.000 1.153 110 G CA 0.364 45.530 45.100 0.110 0.000 0.968 110 G HN 0.500 nan 8.290 nan 0.000 0.544 111 N N 2.508 121.269 118.700 0.102 0.000 2.571 111 N HA 0.362 5.094 4.740 -0.014 0.000 0.189 111 N C 0.765 176.343 175.510 0.114 0.000 1.154 111 N CA 1.295 54.408 53.050 0.106 0.000 0.907 111 N CB -0.012 38.527 38.487 0.088 0.000 0.977 111 N HN 1.062 nan 8.380 nan 0.000 0.449 112 A N 0.910 123.795 122.820 0.108 0.000 2.355 112 A HA 0.714 5.026 4.320 -0.014 0.000 0.324 112 A C -0.140 177.500 177.584 0.092 0.000 1.117 112 A CA -0.810 51.284 52.037 0.096 0.000 0.785 112 A CB 1.189 20.227 19.000 0.064 0.000 1.254 112 A HN 0.204 nan 8.150 nan 0.000 0.453 113 I N -0.127 120.484 120.570 0.068 0.000 2.509 113 I HA 0.753 4.915 4.170 -0.014 0.000 0.293 113 I C -0.445 175.644 176.117 -0.047 0.000 1.020 113 I CA -0.307 60.968 61.300 -0.042 0.000 1.088 113 I CB 2.094 40.008 38.000 -0.143 0.000 1.267 113 I HN 0.579 nan 8.210 nan 0.000 0.430 114 T N 5.875 120.377 114.554 -0.086 0.000 2.797 114 T HA 0.611 4.953 4.350 -0.014 0.000 0.279 114 T C -0.556 174.091 174.700 -0.087 0.000 0.991 114 T CA -0.421 61.646 62.100 -0.054 0.000 0.979 114 T CB 0.989 69.835 68.868 -0.036 0.000 0.943 114 T HN 0.473 nan 8.240 nan 0.000 0.444 115 I N 4.978 125.523 120.570 -0.041 0.000 2.395 115 I HA 0.415 4.577 4.170 -0.014 0.000 0.289 115 I C 0.722 176.825 176.117 -0.024 0.000 1.023 115 I CA 0.409 61.673 61.300 -0.059 0.000 1.350 115 I CB 1.487 39.460 38.000 -0.044 0.000 1.409 115 I HN 0.864 nan 8.210 nan 0.000 0.507 116 S N 5.377 121.048 115.700 -0.048 0.000 2.599 116 S HA 0.865 5.327 4.470 -0.014 0.000 0.294 116 S C -0.919 173.661 174.600 -0.034 0.000 1.094 116 S CA -0.742 57.439 58.200 -0.030 0.000 0.931 116 S CB 2.023 65.203 63.200 -0.034 0.000 1.093 116 S HN 0.218 nan 8.310 nan 0.000 0.488 117 V N 1.663 121.563 119.914 -0.024 0.000 2.398 117 V HA 0.706 4.818 4.120 -0.014 0.000 0.282 117 V C 0.474 176.556 176.094 -0.020 0.000 1.014 117 V CA -0.565 61.720 62.300 -0.025 0.000 0.838 117 V CB 0.667 32.477 31.823 -0.023 0.000 1.018 117 V HN 1.227 nan 8.190 nan 0.000 0.432 118 A N 4.593 127.400 122.820 -0.020 0.000 2.386 118 A HA 0.720 5.032 4.320 -0.014 0.000 0.248 118 A C 0.099 177.675 177.584 -0.013 0.000 1.082 118 A CA -0.241 51.787 52.037 -0.016 0.000 0.789 118 A CB 0.404 19.395 19.000 -0.015 0.000 1.025 118 A HN 0.716 nan 8.150 nan 0.000 0.490 119 E N 0.337 120.530 120.200 -0.011 0.000 2.244 119 E HA 0.514 4.856 4.350 -0.014 0.000 0.266 119 E C 0.312 176.908 176.600 -0.007 0.000 0.914 119 E CA -0.269 56.126 56.400 -0.009 0.000 0.794 119 E CB 1.819 31.514 29.700 -0.008 0.000 1.210 119 E HN 0.609 nan 8.360 nan 0.000 0.414 120 A N 0.957 123.773 122.820 -0.006 0.000 2.238 120 A HA 0.219 4.531 4.320 -0.014 0.000 0.208 120 A C 1.501 179.083 177.584 -0.004 0.000 1.177 120 A CA 1.135 53.169 52.037 -0.004 0.000 0.804 120 A CB -0.265 18.733 19.000 -0.004 0.000 0.823 120 A HN 0.572 nan 8.150 nan 0.000 0.482 121 A N -0.099 122.718 122.820 -0.004 0.000 1.838 121 A HA 0.214 4.526 4.320 -0.014 0.000 0.215 121 A C 0.653 178.235 177.584 -0.004 0.000 1.273 121 A CA 0.794 52.828 52.037 -0.004 0.000 0.602 121 A CB -0.355 18.643 19.000 -0.004 0.000 0.934 121 A HN 0.362 nan 8.150 nan 0.000 0.461 122 D N -0.446 119.950 120.400 -0.006 0.000 3.038 122 D HA -0.127 4.505 4.640 -0.014 0.000 0.229 122 D C 0.913 177.209 176.300 -0.005 0.000 1.182 122 D CA 0.967 54.963 54.000 -0.007 0.000 0.852 122 D CB -1.117 39.678 40.800 -0.008 0.000 0.932 122 D HN 0.436 nan 8.370 nan 0.000 0.406 123 S N -0.160 115.537 115.700 -0.005 0.000 2.493 123 S HA -0.057 4.405 4.470 -0.014 0.000 0.243 123 S C 0.633 175.232 174.600 -0.002 0.000 0.991 123 S CA 1.547 59.745 58.200 -0.003 0.000 0.957 123 S CB 0.072 63.271 63.200 -0.002 0.000 0.756 123 S HN 1.239 nan 8.310 nan 0.000 0.521 124 S N -2.052 113.645 115.700 -0.005 0.000 2.589 124 S HA 0.126 4.587 4.470 -0.014 0.000 0.281 124 S C -1.263 173.331 174.600 -0.011 0.000 0.796 124 S CA -0.374 57.822 58.200 -0.006 0.000 1.234 124 S CB 0.047 63.246 63.200 -0.002 0.000 1.534 124 S HN 0.875 nan 8.310 nan 0.000 0.444 125 V N 1.259 121.163 119.914 -0.016 0.000 2.547 125 V HA 0.678 4.789 4.120 -0.014 0.000 0.299 125 V C -0.762 175.317 176.094 -0.025 0.000 1.040 125 V CA -0.152 62.135 62.300 -0.021 0.000 0.913 125 V CB 1.623 33.431 31.823 -0.025 0.000 0.992 125 V HN 0.970 nan 8.190 nan 0.000 0.449 126 D N 4.992 125.376 120.400 -0.027 0.000 2.499 126 D HA 0.267 4.899 4.640 -0.014 0.000 0.225 126 D C 0.994 177.273 176.300 -0.036 0.000 1.124 126 D CA -0.004 53.978 54.000 -0.030 0.000 0.938 126 D CB 0.733 41.514 40.800 -0.032 0.000 1.014 126 D HN 0.534 nan 8.370 nan 0.000 0.517 127 L N 1.729 122.928 121.223 -0.040 0.000 2.093 127 L HA 0.040 4.372 4.340 -0.014 0.000 0.208 127 L C 1.998 178.844 176.870 -0.040 0.000 1.085 127 L CA 1.116 55.930 54.840 -0.044 0.000 0.755 127 L CB 0.058 42.084 42.059 -0.054 0.000 0.904 127 L HN 0.413 nan 8.230 nan 0.000 0.435 128 G N -0.334 108.446 108.800 -0.033 0.000 3.591 128 G HA2 0.419 4.371 3.960 -0.014 0.000 0.282 128 G HA3 0.419 4.371 3.960 -0.014 0.000 0.282 128 G C 0.489 175.363 174.900 -0.043 0.000 1.238 128 G CA 0.109 45.193 45.100 -0.027 0.000 0.993 128 G HN 0.286 nan 8.290 nan 0.000 0.542 129 A N 0.279 123.067 122.820 -0.053 0.000 2.520 129 A HA 0.442 4.754 4.320 -0.014 0.000 0.235 129 A C 0.955 178.484 177.584 -0.093 0.000 1.065 129 A CA 0.207 52.199 52.037 -0.074 0.000 0.764 129 A CB 0.093 19.053 19.000 -0.068 0.000 1.002 129 A HN 0.230 nan 8.150 nan 0.000 0.502 130 T N 3.358 117.837 114.554 -0.125 0.000 2.793 130 T HA 0.318 4.660 4.350 -0.014 0.000 0.289 130 T C 0.016 174.631 174.700 -0.142 0.000 0.956 130 T CA 1.028 63.040 62.100 -0.146 0.000 1.177 130 T CB -0.524 68.232 68.868 -0.187 0.000 0.897 130 T HN 0.483 nan 8.240 nan 0.000 0.533 131 M N 4.670 124.177 119.600 -0.155 0.000 2.197 131 M HA 0.408 4.880 4.480 -0.014 0.000 0.301 131 M C -0.698 175.440 176.300 -0.270 0.000 0.987 131 M CA -0.941 54.238 55.300 -0.201 0.000 0.921 131 M CB 1.748 34.257 32.600 -0.151 0.000 1.569 131 M HN 0.297 nan 8.290 nan 0.000 0.431 132 I N 1.433 121.737 120.570 -0.444 0.000 2.970 132 I HA 0.512 4.674 4.170 -0.014 0.000 0.310 132 I C 0.456 176.224 176.117 -0.581 0.000 1.010 132 I CA -0.026 60.978 61.300 -0.493 0.000 1.228 132 I CB 1.827 39.537 38.000 -0.485 0.000 1.433 132 I HN 0.600 nan 8.210 nan 0.000 0.573 133 T N 1.341 115.704 114.554 -0.318 0.000 3.193 133 T HA 0.174 4.516 4.350 -0.014 0.000 0.332 133 T C 0.595 175.297 174.700 0.003 0.000 1.208 133 T CA -0.434 61.587 62.100 -0.131 0.000 1.080 133 T CB 1.240 70.053 68.868 -0.092 0.000 1.180 133 T HN 0.683 nan 8.240 nan 0.000 0.469 134 S N 2.434 118.180 115.700 0.077 0.000 2.470 134 S HA 0.076 4.538 4.470 -0.014 0.000 0.225 134 S C 0.776 175.437 174.600 0.102 0.000 1.006 134 S CA 0.147 58.421 58.200 0.123 0.000 0.934 134 S CB -0.001 63.301 63.200 0.169 0.000 0.778 134 S HN 0.566 nan 8.310 nan 0.000 0.517 135 N N 1.438 120.188 118.700 0.084 0.000 2.564 135 N HA 0.208 4.940 4.740 -0.014 0.000 0.248 135 N C 0.308 175.863 175.510 0.076 0.000 0.986 135 N CA -0.309 52.792 53.050 0.086 0.000 0.921 135 N CB 1.141 39.679 38.487 0.086 0.000 1.136 135 N HN 0.062 nan 8.380 nan 0.000 0.509 136 Q N 2.509 122.368 119.800 0.098 0.000 2.443 136 Q HA -0.030 4.302 4.340 -0.014 0.000 0.213 136 Q C 1.002 177.051 176.000 0.081 0.000 0.982 136 Q CA 0.884 56.753 55.803 0.111 0.000 0.894 136 Q CB 0.332 29.191 28.738 0.203 0.000 0.947 136 Q HN 0.681 nan 8.270 nan 0.000 0.480 137 L N -1.184 120.082 121.223 0.072 0.000 2.607 137 L HA 0.203 4.535 4.340 -0.014 0.000 0.228 137 L C 1.006 177.888 176.870 0.021 0.000 1.123 137 L CA 0.274 55.139 54.840 0.042 0.000 0.890 137 L CB 0.182 42.272 42.059 0.052 0.000 1.103 137 L HN 0.217 nan 8.230 nan 0.000 0.468 138 G N -0.189 108.629 108.800 0.030 0.000 2.582 138 G HA2 -0.202 3.750 3.960 -0.014 0.000 0.222 138 G HA3 -0.202 3.750 3.960 -0.014 0.000 0.222 138 G C -0.338 174.585 174.900 0.039 0.000 1.311 138 G CA -0.590 44.523 45.100 0.022 0.000 0.915 138 G HN -0.057 nan 8.290 nan 0.000 0.528 139 T N 0.948 115.523 114.554 0.036 0.000 2.814 139 T HA 0.490 4.832 4.350 -0.014 0.000 0.297 139 T C 1.114 175.846 174.700 0.053 0.000 0.956 139 T CA 0.107 62.236 62.100 0.049 0.000 1.123 139 T CB 0.700 69.595 68.868 0.046 0.000 0.902 139 T HN 0.587 nan 8.240 nan 0.000 0.528 140 I N 3.396 124.005 120.570 0.065 0.000 2.710 140 I HA 0.007 4.169 4.170 -0.014 0.000 0.286 140 I C 2.006 178.163 176.117 0.066 0.000 1.181 140 I CA 0.094 61.435 61.300 0.068 0.000 1.430 140 I CB 0.927 38.972 38.000 0.074 0.000 1.367 140 I HN 0.841 nan 8.210 nan 0.000 0.577 141 T N 0.803 115.397 114.554 0.066 0.000 3.044 141 T HA 0.007 4.349 4.350 -0.014 0.000 0.255 141 T C 0.771 175.516 174.700 0.075 0.000 1.073 141 T CA -0.294 61.849 62.100 0.071 0.000 1.125 141 T CB -0.171 68.738 68.868 0.069 0.000 0.908 141 T HN 0.649 nan 8.240 nan 0.000 0.480 142 E N 2.319 122.562 120.200 0.071 0.000 2.608 142 E HA -0.108 4.233 4.350 -0.014 0.000 0.259 142 E C -0.246 176.388 176.600 0.057 0.000 0.951 142 E CA 0.629 57.067 56.400 0.064 0.000 0.945 142 E CB -0.123 29.617 29.700 0.065 0.000 0.916 142 E HN 0.352 nan 8.360 nan 0.000 0.477 143 D N 1.992 122.420 120.400 0.047 0.000 3.059 143 D HA -0.278 4.354 4.640 -0.014 0.000 0.213 143 D C 0.934 177.265 176.300 0.051 0.000 1.144 143 D CA 1.298 55.323 54.000 0.041 0.000 0.975 143 D CB -1.754 39.066 40.800 0.034 0.000 1.125 143 D HN 0.499 nan 8.370 nan 0.000 0.412 144 S N -0.099 115.639 115.700 0.063 0.000 2.515 144 S HA 0.143 4.604 4.470 -0.014 0.000 0.231 144 S C 1.929 176.564 174.600 0.058 0.000 0.987 144 S CA 1.407 59.646 58.200 0.066 0.000 0.936 144 S CB -0.214 63.031 63.200 0.076 0.000 0.766 144 S HN 1.002 nan 8.310 nan 0.000 0.528 145 G N 0.754 109.589 108.800 0.058 0.000 2.309 145 G HA2 -0.292 3.659 3.960 -0.014 0.000 0.286 145 G HA3 -0.292 3.659 3.960 -0.014 0.000 0.286 145 G C 0.095 175.011 174.900 0.026 0.000 1.002 145 G CA 0.821 45.947 45.100 0.044 0.000 0.786 145 G HN 1.163 nan 8.290 nan 0.000 0.511 146 S N -1.997 113.750 115.700 0.078 0.000 2.600 146 S HA 0.739 5.201 4.470 -0.014 0.000 0.300 146 S C 0.747 175.521 174.600 0.290 0.000 1.087 146 S CA -0.717 57.522 58.200 0.066 0.000 0.965 146 S CB 1.159 64.397 63.200 0.063 0.000 1.089 146 S HN 0.216 nan 8.310 nan 0.000 0.496 147 Y N 1.066 121.407 120.300 0.068 0.000 2.458 147 Y HA 0.323 4.865 4.550 -0.013 0.000 0.254 147 Y C 1.559 177.485 175.900 0.043 0.000 1.120 147 Y CA -0.176 57.964 58.100 0.068 0.000 1.282 147 Y CB -0.475 38.038 38.460 0.088 0.000 1.109 147 Y HN 0.564 nan 8.280 nan 0.000 0.526 148 T N 3.893 118.562 114.554 0.191 0.000 2.882 148 T HA 0.319 4.661 4.350 -0.014 0.000 0.287 148 T C -2.372 172.377 174.700 0.082 0.000 0.992 148 T CA -1.895 60.272 62.100 0.111 0.000 1.076 148 T CB 1.104 70.020 68.868 0.080 0.000 0.961 148 T HN -0.105 nan 8.240 nan 0.000 0.490 149 P HA 0.297 nan 4.420 nan 0.000 0.275 149 P C 0.484 177.804 177.300 0.033 0.000 1.266 149 P CA -0.324 62.799 63.100 0.038 0.000 0.793 149 P CB 0.587 32.294 31.700 0.012 0.000 1.074 150 G N 0.157 108.976 108.800 0.030 0.000 3.199 150 G HA2 0.302 4.253 3.960 -0.014 0.000 0.184 150 G HA3 0.302 4.253 3.960 -0.014 0.000 0.184 150 G C 0.021 174.928 174.900 0.013 0.000 1.974 150 G CA 0.327 45.445 45.100 0.029 0.000 0.885 150 G HN 0.694 nan 8.290 nan 0.000 0.575 151 T N -1.879 112.681 114.554 0.009 0.000 2.923 151 T HA 0.721 5.062 4.350 -0.014 0.000 0.281 151 T C -0.665 174.027 174.700 -0.013 0.000 0.995 151 T CA -0.576 61.521 62.100 -0.005 0.000 0.985 151 T CB 2.069 70.933 68.868 -0.005 0.000 1.114 151 T HN 0.175 nan 8.240 nan 0.000 0.548 152 I N -0.133 120.420 120.570 -0.028 0.000 2.841 152 I HA 0.548 4.710 4.170 -0.014 0.000 0.298 152 I C -0.273 175.807 176.117 -0.061 0.000 1.304 152 I CA -1.064 60.209 61.300 -0.045 0.000 1.019 152 I CB 1.978 39.943 38.000 -0.058 0.000 1.282 152 I HN 0.992 nan 8.210 nan 0.000 0.432 153 A N 2.852 125.625 122.820 -0.077 0.000 2.610 153 A HA 0.289 4.601 4.320 -0.014 0.000 0.291 153 A C 1.133 178.627 177.584 -0.150 0.000 1.116 153 A CA 0.128 52.101 52.037 -0.107 0.000 0.963 153 A CB -0.315 18.626 19.000 -0.098 0.000 1.220 153 A HN 0.709 nan 8.150 nan 0.000 0.530 154 T N -0.028 114.439 114.554 -0.146 0.000 2.759 154 T HA -0.105 4.237 4.350 -0.014 0.000 0.269 154 T C 2.090 176.664 174.700 -0.209 0.000 1.042 154 T CA 1.785 63.781 62.100 -0.173 0.000 1.140 154 T CB -0.131 68.641 68.868 -0.160 0.000 0.864 154 T HN 0.588 nan 8.240 nan 0.000 0.455 155 A N 1.510 124.205 122.820 -0.208 0.000 1.935 155 A HA 0.072 4.384 4.320 -0.014 0.000 0.214 155 A C 2.362 179.741 177.584 -0.342 0.000 1.178 155 A CA 1.585 53.477 52.037 -0.242 0.000 0.640 155 A CB -0.335 18.533 19.000 -0.220 0.000 0.825 155 A HN 0.597 nan 8.150 nan 0.000 0.447 156 T N -7.164 107.201 114.554 -0.315 0.000 3.130 156 T HA 0.389 4.731 4.350 -0.014 0.000 0.288 156 T C 0.702 175.225 174.700 -0.296 0.000 0.936 156 T CA 0.587 62.469 62.100 -0.363 0.000 0.897 156 T CB 0.568 69.256 68.868 -0.300 0.000 1.178 156 T HN 0.311 nan 8.240 nan 0.000 0.543 157 R N -0.321 120.008 120.500 -0.285 0.000 3.606 157 R HA -0.103 4.229 4.340 -0.014 0.000 0.439 157 R C -0.590 175.598 176.300 -0.188 0.000 0.585 157 R CA 1.168 57.086 56.100 -0.303 0.000 1.521 157 R CB -2.297 27.752 30.300 -0.418 0.000 2.112 157 R HN 0.593 nan 8.270 nan 0.000 0.375 158 L N 1.829 122.981 121.223 -0.118 0.000 2.315 158 L HA 0.274 4.606 4.340 -0.014 0.000 0.283 158 L C 0.414 177.255 176.870 -0.048 0.000 1.089 158 L CA -0.695 54.109 54.840 -0.060 0.000 0.833 158 L CB 1.127 43.182 42.059 -0.006 0.000 1.170 158 L HN -0.160 nan 8.230 nan 0.000 0.442 159 V N 6.185 126.072 119.914 -0.044 0.000 2.452 159 V HA 0.003 4.115 4.120 -0.014 0.000 0.286 159 V C 0.402 176.479 176.094 -0.029 0.000 0.995 159 V CA 0.634 62.912 62.300 -0.036 0.000 1.116 159 V CB -0.438 31.366 31.823 -0.031 0.000 0.954 159 V HN 0.492 nan 8.190 nan 0.000 0.473 160 L N 4.453 125.663 121.223 -0.021 0.000 2.393 160 L HA 0.626 4.958 4.340 -0.014 0.000 0.260 160 L C 0.406 177.265 176.870 -0.018 0.000 1.002 160 L CA -0.725 54.113 54.840 -0.004 0.000 0.818 160 L CB 2.696 44.778 42.059 0.038 0.000 1.369 160 L HN 0.637 nan 8.230 nan 0.000 0.412 161 T N -2.679 111.865 114.554 -0.016 0.000 2.849 161 T HA 0.295 4.637 4.350 -0.014 0.000 0.284 161 T C -2.105 172.572 174.700 -0.037 0.000 1.004 161 T CA -1.721 60.364 62.100 -0.024 0.000 1.021 161 T CB 1.208 70.062 68.868 -0.024 0.000 1.013 161 T HN 0.327 nan 8.240 nan 0.000 0.527 162 P HA -0.094 nan 4.420 nan 0.000 0.218 162 P C 1.546 178.797 177.300 -0.083 0.000 1.148 162 P CA 0.897 63.956 63.100 -0.068 0.000 0.822 162 P CB 0.018 31.689 31.700 -0.048 0.000 0.784 163 R N 0.702 121.167 120.500 -0.059 0.000 2.148 163 R HA -0.117 4.215 4.340 -0.014 0.000 0.227 163 R C 1.680 177.962 176.300 -0.032 0.000 1.103 163 R CA 1.344 57.411 56.100 -0.055 0.000 0.983 163 R CB -0.336 29.928 30.300 -0.059 0.000 0.874 163 R HN 0.213 nan 8.270 nan 0.000 0.451 164 E N -0.317 119.876 120.200 -0.012 0.000 2.435 164 E HA -0.006 4.336 4.350 -0.014 0.000 0.195 164 E C -0.260 176.382 176.600 0.070 0.000 1.029 164 E CA 0.513 56.946 56.400 0.055 0.000 0.865 164 E CB 0.468 30.204 29.700 0.059 0.000 0.833 164 E HN 0.155 nan 8.360 nan 0.000 0.510 165 T N 3.553 118.068 114.554 -0.065 0.000 2.738 165 T HA 0.149 4.490 4.350 -0.014 0.000 0.298 165 T C -2.212 172.307 174.700 -0.303 0.000 0.962 165 T CA -1.428 60.579 62.100 -0.154 0.000 0.972 165 T CB 1.434 70.206 68.868 -0.160 0.000 0.928 165 T HN -0.015 nan 8.240 nan 0.000 0.474 166 P HA 0.236 nan 4.420 nan 0.000 0.220 166 P C -0.468 176.715 177.300 -0.195 0.000 1.793 166 P CA -0.190 62.762 63.100 -0.248 0.000 0.917 166 P CB 0.263 31.966 31.700 0.005 0.000 1.755 167 Q N -0.912 118.701 119.800 -0.313 0.000 2.511 167 Q HA 0.373 4.705 4.340 -0.014 0.000 0.289 167 Q C -0.621 175.266 176.000 -0.188 0.000 1.021 167 Q CA -0.828 54.888 55.803 -0.146 0.000 0.785 167 Q CB 1.910 30.576 28.738 -0.120 0.000 1.472 167 Q HN -0.121 nan 8.270 nan 0.000 0.411 168 S N 1.348 116.999 115.700 -0.081 0.000 2.465 168 S HA 0.314 4.776 4.470 -0.014 0.000 0.280 168 S C -0.581 173.947 174.600 -0.119 0.000 1.232 168 S CA -0.126 58.026 58.200 -0.079 0.000 1.066 168 S CB -0.127 63.039 63.200 -0.055 0.000 0.929 168 S HN 0.360 nan 8.310 nan 0.000 0.494 169 I N 4.063 124.563 120.570 -0.117 0.000 2.439 169 I HA 0.404 4.566 4.170 -0.014 0.000 0.285 169 I C -0.488 175.575 176.117 -0.089 0.000 1.021 169 I CA 0.107 61.336 61.300 -0.117 0.000 1.091 169 I CB 1.607 39.532 38.000 -0.126 0.000 1.242 169 I HN 0.424 nan 8.210 nan 0.000 0.439 170 T N 6.257 120.755 114.554 -0.093 0.000 2.823 170 T HA 0.721 5.063 4.350 -0.014 0.000 0.279 170 T C -0.921 173.729 174.700 -0.083 0.000 0.998 170 T CA -0.483 61.573 62.100 -0.073 0.000 0.994 170 T CB 1.665 70.488 68.868 -0.075 0.000 0.960 170 T HN 0.344 nan 8.240 nan 0.000 0.448 171 V N 3.327 123.205 119.914 -0.061 0.000 2.638 171 V HA 0.425 4.537 4.120 -0.014 0.000 0.306 171 V C -0.488 175.572 176.094 -0.057 0.000 1.052 171 V CA -0.786 61.476 62.300 -0.063 0.000 0.885 171 V CB 2.249 34.048 31.823 -0.040 0.000 0.999 171 V HN 0.716 nan 8.190 nan 0.000 0.424 172 V N 4.372 124.237 119.914 -0.080 0.000 2.383 172 V HA 0.429 4.541 4.120 -0.014 0.000 0.275 172 V C 0.582 176.640 176.094 -0.060 0.000 1.036 172 V CA -0.351 61.895 62.300 -0.090 0.000 0.889 172 V CB 1.677 33.427 31.823 -0.121 0.000 0.985 172 V HN 1.032 nan 8.190 nan 0.000 0.459 173 T N 2.054 116.586 114.554 -0.037 0.000 2.922 173 T HA 0.380 4.722 4.350 -0.014 0.000 0.285 173 T C 1.031 175.747 174.700 0.026 0.000 1.005 173 T CA -0.665 61.449 62.100 0.024 0.000 1.061 173 T CB 1.617 70.548 68.868 0.105 0.000 1.007 173 T HN 0.466 nan 8.240 nan 0.000 0.502 174 R N 0.983 121.514 120.500 0.052 0.000 2.153 174 R HA -0.222 4.110 4.340 -0.014 0.000 0.252 174 R C 2.266 178.606 176.300 0.067 0.000 1.158 174 R CA 2.142 58.276 56.100 0.057 0.000 0.975 174 R CB -0.892 29.449 30.300 0.068 0.000 0.871 174 R HN 0.809 nan 8.270 nan 0.000 0.450 175 Q N -0.343 119.531 119.800 0.123 0.000 2.311 175 Q HA -0.002 4.330 4.340 -0.014 0.000 0.203 175 Q C 1.594 177.700 176.000 0.177 0.000 0.954 175 Q CA 1.267 57.176 55.803 0.176 0.000 0.885 175 Q CB -0.234 28.672 28.738 0.281 0.000 0.963 175 Q HN 0.369 nan 8.270 nan 0.000 0.471 176 N N -0.296 118.417 118.700 0.021 0.000 2.142 176 N HA -0.124 4.607 4.740 -0.014 0.000 0.186 176 N C 1.507 176.996 175.510 -0.034 0.000 1.023 176 N CA 1.438 54.347 53.050 -0.234 0.000 0.852 176 N CB -0.045 38.185 38.487 -0.427 0.000 0.998 176 N HN 0.353 nan 8.380 nan 0.000 0.424 177 M N 0.383 119.958 119.600 -0.041 0.000 2.117 177 M HA -0.153 4.319 4.480 -0.014 0.000 0.262 177 M C 1.347 177.637 176.300 -0.017 0.000 1.065 177 M CA 1.444 56.718 55.300 -0.043 0.000 1.114 177 M CB -0.177 32.406 32.600 -0.027 0.000 1.361 177 M HN -0.012 nan 8.290 nan 0.000 0.408 178 D N 0.590 120.992 120.400 0.003 0.000 2.092 178 D HA -0.168 4.464 4.640 -0.014 0.000 0.193 178 D C 1.621 177.898 176.300 -0.038 0.000 0.994 178 D CA 1.388 55.382 54.000 -0.011 0.000 0.828 178 D CB -0.421 40.375 40.800 -0.006 0.000 0.963 178 D HN 0.289 nan 8.370 nan 0.000 0.450 179 D N -0.692 119.688 120.400 -0.033 0.000 2.144 179 D HA -0.108 4.524 4.640 -0.014 0.000 0.199 179 D C 1.421 177.488 176.300 -0.389 0.000 0.984 179 D CA 0.731 54.619 54.000 -0.186 0.000 0.834 179 D CB -0.269 40.444 40.800 -0.146 0.000 0.955 179 D HN 0.285 nan 8.370 nan 0.000 0.465 180 F N -0.530 119.383 119.950 -0.063 0.000 2.695 180 F HA 0.304 4.823 4.527 -0.014 0.000 0.303 180 F C 1.590 177.289 175.800 -0.168 0.000 1.091 180 F CA 0.085 58.020 58.000 -0.109 0.000 1.300 180 F CB 0.729 39.616 39.000 -0.189 0.000 1.071 180 F HN -0.006 nan 8.300 nan 0.000 0.578 181 G N 1.158 109.938 108.800 -0.034 0.000 2.149 181 G HA2 -0.282 3.670 3.960 -0.014 0.000 0.235 181 G HA3 -0.282 3.670 3.960 -0.014 0.000 0.235 181 G C 0.085 174.944 174.900 -0.069 0.000 1.018 181 G CA -0.412 44.661 45.100 -0.044 0.000 0.728 181 G HN 0.260 nan 8.290 nan 0.000 0.508 182 L N 0.465 121.627 121.223 -0.103 0.000 2.404 182 L HA 0.275 4.606 4.340 -0.014 0.000 0.277 182 L C 1.284 178.117 176.870 -0.062 0.000 1.184 182 L CA -0.187 54.565 54.840 -0.147 0.000 1.013 182 L CB 0.006 41.926 42.059 -0.231 0.000 1.318 182 L HN 0.211 nan 8.230 nan 0.000 0.435 183 N N 1.364 120.047 118.700 -0.028 0.000 2.373 183 N HA -0.037 4.695 4.740 -0.014 0.000 0.181 183 N C 0.164 175.692 175.510 0.030 0.000 1.082 183 N CA 0.038 53.096 53.050 0.012 0.000 0.885 183 N CB 0.269 38.770 38.487 0.024 0.000 0.977 183 N HN 0.627 nan 8.380 nan 0.000 0.462 184 N N -0.727 117.983 118.700 0.017 0.000 3.157 184 N HA 0.104 4.836 4.740 -0.014 0.000 0.291 184 N C 0.156 175.671 175.510 0.007 0.000 1.515 184 N CA -0.725 52.346 53.050 0.035 0.000 0.807 184 N CB 0.444 38.957 38.487 0.044 0.000 1.672 184 N HN -0.190 nan 8.380 nan 0.000 0.592 185 I N 0.214 120.798 120.570 0.023 0.000 2.546 185 I HA -0.031 4.131 4.170 -0.014 0.000 0.255 185 I C 0.903 176.998 176.117 -0.037 0.000 1.163 185 I CA 1.255 62.545 61.300 -0.017 0.000 1.457 185 I CB -0.359 37.656 38.000 0.024 0.000 1.092 185 I HN 0.464 nan 8.210 nan 0.000 0.434 186 D N 0.835 121.269 120.400 0.057 0.000 2.097 186 D HA -0.178 4.454 4.640 -0.014 0.000 0.195 186 D C 1.745 178.050 176.300 0.009 0.000 0.989 186 D CA 1.384 55.437 54.000 0.087 0.000 0.827 186 D CB -0.265 40.619 40.800 0.140 0.000 0.966 186 D HN 0.342 nan 8.370 nan 0.000 0.456 187 D N -0.103 120.292 120.400 -0.009 0.000 2.144 187 D HA -0.103 4.528 4.640 -0.014 0.000 0.199 187 D C 2.273 178.490 176.300 -0.140 0.000 0.984 187 D CA 0.415 54.380 54.000 -0.058 0.000 0.834 187 D CB -0.282 40.468 40.800 -0.084 0.000 0.955 187 D HN 0.087 nan 8.370 nan 0.000 0.465 188 V N 1.026 120.850 119.914 -0.149 0.000 2.295 188 V HA -0.240 3.871 4.120 -0.014 0.000 0.246 188 V C 2.503 178.493 176.094 -0.174 0.000 1.049 188 V CA 1.211 63.404 62.300 -0.178 0.000 1.024 188 V CB -0.350 31.374 31.823 -0.165 0.000 0.648 188 V HN 0.190 nan 8.190 nan 0.000 0.447 189 M N -0.282 119.167 119.600 -0.250 0.000 2.080 189 M HA -0.177 4.295 4.480 -0.014 0.000 0.260 189 M C 2.338 178.544 176.300 -0.156 0.000 1.068 189 M CA 1.771 56.871 55.300 -0.334 0.000 1.109 189 M CB -1.293 30.847 32.600 -0.767 0.000 1.342 189 M HN 0.310 nan 8.290 nan 0.000 0.405 190 R N -0.977 119.490 120.500 -0.055 0.000 2.117 190 R HA -0.186 4.146 4.340 -0.014 0.000 0.243 190 R C 1.369 177.706 176.300 0.061 0.000 1.143 190 R CA 1.275 57.405 56.100 0.049 0.000 0.968 190 R CB -0.538 29.846 30.300 0.140 0.000 0.863 190 R HN 0.488 nan 8.270 nan 0.000 0.444 191 H N -0.884 118.081 119.070 -0.175 0.000 2.524 191 H HA 0.164 4.711 4.556 -0.013 0.000 0.280 191 H C -0.362 174.856 175.328 -0.182 0.000 1.018 191 H CA 0.178 56.063 56.048 -0.271 0.000 1.165 191 H CB 0.532 29.971 29.762 -0.539 0.000 1.411 191 H HN -0.066 nan 8.280 nan 0.000 0.569 192 T N 2.953 117.476 114.554 -0.052 0.000 2.733 192 T HA 0.212 4.553 4.350 -0.014 0.000 0.294 192 T C -2.543 172.116 174.700 -0.068 0.000 0.956 192 T CA -1.713 60.338 62.100 -0.083 0.000 0.987 192 T CB 1.418 70.204 68.868 -0.136 0.000 0.920 192 T HN -0.010 nan 8.240 nan 0.000 0.470 193 P HA 0.174 nan 4.420 nan 0.000 0.258 193 P C 1.041 178.299 177.300 -0.070 0.000 1.187 193 P CA 1.008 64.082 63.100 -0.043 0.000 0.767 193 P CB 0.062 31.754 31.700 -0.013 0.000 0.770 194 G N 2.830 111.577 108.800 -0.089 0.000 2.179 194 G HA2 -0.166 3.786 3.960 -0.014 0.000 0.220 194 G HA3 -0.166 3.786 3.960 -0.014 0.000 0.220 194 G C -0.007 174.830 174.900 -0.104 0.000 0.990 194 G CA -0.562 44.476 45.100 -0.103 0.000 0.646 194 G HN 0.433 nan 8.290 nan 0.000 0.517 195 I N 1.880 122.392 120.570 -0.097 0.000 2.525 195 I HA 0.596 4.758 4.170 -0.014 0.000 0.301 195 I C 0.227 176.314 176.117 -0.050 0.000 0.992 195 I CA -0.326 60.929 61.300 -0.075 0.000 1.162 195 I CB 1.415 39.344 38.000 -0.118 0.000 1.332 195 I HN 0.084 nan 8.210 nan 0.000 0.458 196 T N 4.120 118.686 114.554 0.020 0.000 2.848 196 T HA 0.566 4.908 4.350 -0.014 0.000 0.285 196 T C -0.339 174.429 174.700 0.114 0.000 0.995 196 T CA -0.600 61.528 62.100 0.046 0.000 0.970 196 T CB 2.147 71.057 68.868 0.070 0.000 0.976 196 T HN 0.201 nan 8.240 nan 0.000 0.441 197 V N 3.572 123.555 119.914 0.114 0.000 2.347 197 V HA 0.651 4.763 4.120 -0.014 0.000 0.280 197 V C 0.308 176.477 176.094 0.125 0.000 1.021 197 V CA -0.622 61.779 62.300 0.169 0.000 0.847 197 V CB 0.996 32.937 31.823 0.197 0.000 0.990 197 V HN 1.124 nan 8.190 nan 0.000 0.444 198 S N 3.713 119.429 115.700 0.026 0.000 2.600 198 S HA 0.919 5.381 4.470 -0.014 0.000 0.300 198 S C -0.321 174.191 174.600 -0.147 0.000 1.087 198 S CA -0.617 57.630 58.200 0.078 0.000 0.965 198 S CB 2.160 65.521 63.200 0.267 0.000 1.089 198 S HN 1.114 nan 8.310 nan 0.000 0.496 199 A N 0.943 123.706 122.820 -0.096 0.000 2.290 199 A HA 0.675 4.987 4.320 -0.014 0.000 0.310 199 A C -0.360 177.012 177.584 -0.353 0.000 1.202 199 A CA -0.672 51.264 52.037 -0.168 0.000 0.837 199 A CB -0.060 18.925 19.000 -0.024 0.000 1.139 199 A HN 0.860 nan 8.150 nan 0.000 0.509 200 Y N 1.243 121.363 120.300 -0.301 0.000 2.262 200 Y HA 0.165 4.707 4.550 -0.013 0.000 0.295 200 Y C 0.745 176.578 175.900 -0.110 0.000 1.121 200 Y CA 1.221 58.996 58.100 -0.542 0.000 1.144 200 Y CB 0.206 38.293 38.460 -0.621 0.000 1.043 200 Y HN 0.874 nan 8.280 nan 0.000 0.528 201 D N -4.606 115.884 120.400 0.151 0.000 2.779 201 D HA 0.098 4.730 4.640 -0.014 0.000 0.331 201 D C 0.656 176.988 176.300 0.054 0.000 1.331 201 D CA 0.052 54.149 54.000 0.162 0.000 0.866 201 D CB 0.359 41.340 40.800 0.302 0.000 1.409 201 D HN -0.092 nan 8.370 nan 0.000 0.486 202 T N -3.076 111.482 114.554 0.007 0.000 2.897 202 T HA -0.111 4.230 4.350 -0.014 0.000 0.271 202 T C 0.421 175.055 174.700 -0.109 0.000 1.084 202 T CA 1.730 63.718 62.100 -0.187 0.000 1.123 202 T CB -0.531 68.112 68.868 -0.373 0.000 0.865 202 T HN 0.467 nan 8.240 nan 0.000 0.496 203 D N -0.214 120.164 120.400 -0.038 0.000 2.513 203 D HA 0.297 4.929 4.640 -0.014 0.000 0.222 203 D C 0.146 176.177 176.300 -0.448 0.000 1.210 203 D CA -0.338 53.542 54.000 -0.200 0.000 0.825 203 D CB 0.603 41.289 40.800 -0.190 0.000 1.037 203 D HN 0.017 nan 8.370 nan 0.000 0.506 204 R N 0.725 121.086 120.500 -0.232 0.000 2.523 204 R HA 0.376 4.708 4.340 -0.014 0.000 0.278 204 R C -1.300 174.967 176.300 -0.055 0.000 1.150 204 R CA -0.365 55.617 56.100 -0.196 0.000 0.987 204 R CB 1.381 31.602 30.300 -0.133 0.000 1.232 204 R HN 0.093 nan 8.270 nan 0.000 0.424 205 N N 0.703 119.319 118.700 -0.139 0.000 2.813 205 N HA 0.418 5.150 4.740 -0.014 0.000 0.320 205 N C -0.988 174.242 175.510 -0.466 0.000 1.315 205 N CA -0.772 52.131 53.050 -0.244 0.000 0.871 205 N CB 1.148 39.564 38.487 -0.119 0.000 1.241 205 N HN 0.374 nan 8.380 nan 0.000 0.602 206 N N -0.422 117.916 118.700 -0.603 0.000 2.287 206 N HA 0.294 5.026 4.740 -0.014 0.000 0.289 206 N C -2.121 173.091 175.510 -0.496 0.000 1.066 206 N CA -0.446 52.187 53.050 -0.695 0.000 0.841 206 N CB 0.799 38.737 38.487 -0.915 0.000 1.599 206 N HN 0.354 nan 8.380 nan 0.000 0.476 207 Y N 2.659 122.803 120.300 -0.261 0.000 2.478 207 Y HA 0.381 4.923 4.550 -0.013 0.000 0.329 207 Y C -0.828 174.956 175.900 -0.194 0.000 0.967 207 Y CA -0.912 57.065 58.100 -0.206 0.000 1.255 207 Y CB -0.037 38.345 38.460 -0.131 0.000 1.103 207 Y HN 0.376 nan 8.280 nan 0.000 0.497 208 Y N 1.672 122.010 120.300 0.062 0.000 2.304 208 Y HA 0.608 5.151 4.550 -0.013 0.000 0.328 208 Y C 0.417 176.299 175.900 -0.030 0.000 1.123 208 Y CA -0.905 57.197 58.100 0.003 0.000 1.218 208 Y CB 1.150 39.582 38.460 -0.046 0.000 1.207 208 Y HN 0.637 nan 8.280 nan 0.000 0.495 209 A N 2.963 125.875 122.820 0.154 0.000 2.393 209 A HA 0.672 4.984 4.320 -0.014 0.000 0.306 209 A C 0.030 177.637 177.584 0.039 0.000 1.050 209 A CA -1.210 50.843 52.037 0.027 0.000 0.724 209 A CB 0.751 19.715 19.000 -0.061 0.000 1.248 209 A HN 0.931 nan 8.150 nan 0.000 0.424 210 R N 1.106 121.582 120.500 -0.041 0.000 3.502 210 R HA -0.250 4.082 4.340 -0.014 0.000 0.266 210 R C 1.029 177.340 176.300 0.019 0.000 1.077 210 R CA 1.214 57.321 56.100 0.013 0.000 0.718 210 R CB -2.036 28.208 30.300 -0.094 0.000 1.120 210 R HN 2.445 nan 8.270 nan 0.000 0.457 211 G N -1.859 106.852 108.800 -0.148 0.000 2.144 211 G HA2 -0.278 3.674 3.960 -0.014 0.000 0.218 211 G HA3 -0.278 3.674 3.960 -0.014 0.000 0.218 211 G C -0.173 174.340 174.900 -0.645 0.000 0.988 211 G CA -0.027 44.794 45.100 -0.464 0.000 0.659 211 G HN 0.272 nan 8.290 nan 0.000 0.522 212 F N 0.455 120.447 119.950 0.070 0.000 2.588 212 F HA 0.714 5.233 4.527 -0.014 0.000 0.310 212 F C 0.500 176.418 175.800 0.197 0.000 1.082 212 F CA -0.948 57.120 58.000 0.113 0.000 0.929 212 F CB 2.187 41.191 39.000 0.007 0.000 1.254 212 F HN -0.039 nan 8.300 nan 0.000 0.455 213 S N 2.526 118.435 115.700 0.348 0.000 2.481 213 S HA 0.423 4.885 4.470 -0.014 0.000 0.276 213 S C -0.068 174.567 174.600 0.058 0.000 1.247 213 S CA -0.413 57.852 58.200 0.108 0.000 1.053 213 S CB -0.207 63.036 63.200 0.072 0.000 0.925 213 S HN 0.349 nan 8.310 nan 0.000 0.491 214 I N 4.586 125.147 120.570 -0.014 0.000 2.517 214 I HA 0.082 4.244 4.170 -0.014 0.000 0.285 214 I C 0.715 176.737 176.117 -0.158 0.000 1.106 214 I CA 0.220 61.449 61.300 -0.118 0.000 1.402 214 I CB 0.368 38.271 38.000 -0.162 0.000 1.399 214 I HN 0.565 nan 8.210 nan 0.000 0.535 215 N N 4.554 123.153 118.700 -0.168 0.000 2.416 215 N HA 0.192 4.924 4.740 -0.014 0.000 0.267 215 N C -1.109 174.312 175.510 -0.149 0.000 1.294 215 N CA -0.208 52.786 53.050 -0.093 0.000 0.891 215 N CB 0.257 38.738 38.487 -0.010 0.000 1.238 215 N HN 0.422 nan 8.380 nan 0.000 0.508 216 N N 0.777 119.245 118.700 -0.387 0.000 2.569 216 N HA 0.265 4.997 4.740 -0.014 0.000 0.254 216 N C -1.394 173.840 175.510 -0.461 0.000 1.004 216 N CA -0.159 52.710 53.050 -0.301 0.000 0.904 216 N CB 0.634 38.950 38.487 -0.285 0.000 1.165 216 N HN 0.029 nan 8.380 nan 0.000 0.513 217 F N 0.628 120.497 119.950 -0.136 0.000 2.469 217 F HA 0.432 4.951 4.527 -0.012 0.000 0.332 217 F C 0.757 176.379 175.800 -0.296 0.000 1.103 217 F CA -0.681 57.174 58.000 -0.241 0.000 0.979 217 F CB 1.826 40.721 39.000 -0.176 0.000 1.137 217 F HN 0.083 nan 8.300 nan 0.000 0.463 218 Q N 1.307 120.920 119.800 -0.312 0.000 2.351 218 Q HA 0.562 4.894 4.340 -0.014 0.000 0.273 218 Q C -1.813 173.731 176.000 -0.761 0.000 1.077 218 Q CA -1.025 54.572 55.803 -0.342 0.000 0.843 218 Q CB 2.657 31.265 28.738 -0.218 0.000 1.367 218 Q HN 0.554 nan 8.270 nan 0.000 0.449 219 Y N 0.479 120.754 120.300 -0.041 0.000 2.326 219 Y HA 0.202 4.744 4.550 -0.013 0.000 0.329 219 Y C -0.680 175.175 175.900 -0.074 0.000 0.973 219 Y CA -0.969 57.098 58.100 -0.055 0.000 1.162 219 Y CB 1.515 39.957 38.460 -0.031 0.000 1.147 219 Y HN 0.610 nan 8.280 nan 0.000 0.456 220 D N 2.875 123.291 120.400 0.028 0.000 2.689 220 D HA -0.168 4.464 4.640 -0.014 0.000 0.237 220 D C 1.247 177.542 176.300 -0.008 0.000 1.148 220 D CA 1.862 55.863 54.000 0.001 0.000 0.656 220 D CB -0.951 39.823 40.800 -0.044 0.000 1.050 220 D HN 1.141 nan 8.370 nan 0.000 0.426 221 G N -0.473 108.298 108.800 -0.048 0.000 2.203 221 G HA2 -0.304 3.648 3.960 -0.014 0.000 0.263 221 G HA3 -0.304 3.648 3.960 -0.014 0.000 0.263 221 G C 0.313 175.189 174.900 -0.039 0.000 1.012 221 G CA 0.413 45.472 45.100 -0.069 0.000 0.749 221 G HN 0.535 nan 8.290 nan 0.000 0.512 222 I N 1.010 121.582 120.570 0.004 0.000 2.354 222 I HA 0.297 4.459 4.170 -0.014 0.000 0.286 222 I C -2.114 174.041 176.117 0.064 0.000 1.007 222 I CA -2.857 58.472 61.300 0.049 0.000 1.167 222 I CB 1.249 39.301 38.000 0.087 0.000 1.320 222 I HN -0.171 nan 8.210 nan 0.000 0.458 223 P HA 0.121 nan 4.420 nan 0.000 0.269 223 P C -0.049 177.306 177.300 0.091 0.000 1.209 223 P CA 0.011 63.125 63.100 0.022 0.000 0.776 223 P CB 0.636 32.323 31.700 -0.022 0.000 0.876 224 S N 0.545 116.327 115.700 0.136 0.000 2.745 224 S HA 0.556 5.018 4.470 -0.014 0.000 0.292 224 S C -0.230 174.414 174.600 0.074 0.000 1.133 224 S CA -0.598 57.689 58.200 0.146 0.000 0.998 224 S CB 0.143 63.489 63.200 0.243 0.000 1.087 224 S HN 0.335 nan 8.310 nan 0.000 0.551 225 T N 1.052 115.633 114.554 0.044 0.000 2.856 225 T HA 0.641 4.983 4.350 -0.014 0.000 0.292 225 T C 0.270 174.960 174.700 -0.016 0.000 0.980 225 T CA -0.270 61.802 62.100 -0.048 0.000 1.091 225 T CB 1.176 69.950 68.868 -0.157 0.000 0.936 225 T HN 1.012 nan 8.240 nan 0.000 0.503 226 A N 2.938 125.730 122.820 -0.047 0.000 2.709 226 A HA 0.324 4.636 4.320 -0.014 0.000 0.241 226 A C 1.633 179.211 177.584 -0.010 0.000 0.879 226 A CA -0.486 51.566 52.037 0.025 0.000 1.120 226 A CB -0.038 19.044 19.000 0.135 0.000 1.226 226 A HN 0.808 nan 8.150 nan 0.000 0.468 227 R N 0.777 121.201 120.500 -0.125 0.000 2.159 227 R HA -0.252 4.080 4.340 -0.014 0.000 0.252 227 R C 0.693 177.040 176.300 0.077 0.000 1.144 227 R CA 2.526 58.599 56.100 -0.046 0.000 0.961 227 R CB -0.156 30.070 30.300 -0.124 0.000 0.877 227 R HN 0.906 nan 8.270 nan 0.000 0.444 228 N N -4.027 114.758 118.700 0.142 0.000 3.439 228 N HA 0.055 4.787 4.740 -0.014 0.000 0.313 228 N C 0.545 176.032 175.510 -0.039 0.000 1.598 228 N CA -0.156 52.943 53.050 0.082 0.000 0.830 228 N CB 0.680 39.256 38.487 0.149 0.000 1.849 228 N HN -0.189 nan 8.380 nan 0.000 0.598 229 V N -2.976 116.857 119.914 -0.136 0.000 2.720 229 V HA 0.101 4.213 4.120 -0.014 0.000 0.256 229 V C 1.904 177.735 176.094 -0.439 0.000 1.082 229 V CA 1.839 64.005 62.300 -0.222 0.000 1.101 229 V CB -1.620 30.089 31.823 -0.189 0.000 0.693 229 V HN 0.779 nan 8.190 nan 0.000 0.479 230 G N -0.090 108.258 108.800 -0.754 0.000 2.586 230 G HA2 -0.310 3.642 3.960 -0.014 0.000 0.218 230 G HA3 -0.310 3.642 3.960 -0.014 0.000 0.218 230 G C 1.334 175.567 174.900 -1.113 0.000 1.216 230 G CA 1.557 45.681 45.100 -1.626 0.000 0.786 230 G HN 0.611 nan 8.290 nan 0.000 0.583 231 Y N 0.118 120.023 120.300 -0.657 0.000 2.571 231 Y HA 0.171 4.714 4.550 -0.011 0.000 0.294 231 Y C 2.900 178.663 175.900 -0.228 0.000 1.141 231 Y CA 1.056 58.958 58.100 -0.329 0.000 1.308 231 Y CB 0.284 38.647 38.460 -0.162 0.000 1.002 231 Y HN 0.244 nan 8.280 nan 0.000 0.551 232 S N -0.633 115.001 115.700 -0.111 0.000 2.559 232 S HA 0.376 4.838 4.470 -0.014 0.000 0.226 232 S C 0.813 175.307 174.600 -0.176 0.000 1.000 232 S CA -0.127 58.007 58.200 -0.110 0.000 0.948 232 S CB -0.342 62.810 63.200 -0.079 0.000 0.870 232 S HN 0.276 nan 8.310 nan 0.000 0.497 233 A N 0.887 123.610 122.820 -0.161 0.000 2.600 233 A HA 0.346 4.658 4.320 -0.014 0.000 0.253 233 A C 1.519 178.976 177.584 -0.211 0.000 0.997 233 A CA 0.972 52.920 52.037 -0.149 0.000 0.820 233 A CB -1.044 17.919 19.000 -0.062 0.000 0.888 233 A HN 1.306 nan 8.150 nan 0.000 0.508 234 G N 2.489 111.140 108.800 -0.248 0.000 2.148 234 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.254 234 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.254 234 G C 0.672 175.431 174.900 -0.234 0.000 0.981 234 G CA 0.743 45.706 45.100 -0.229 0.000 0.670 234 G HN 0.792 nan 8.290 nan 0.000 0.528 235 N N -0.078 118.428 118.700 -0.323 0.000 2.250 235 N HA -0.002 4.730 4.740 -0.014 0.000 0.181 235 N C 2.280 177.566 175.510 -0.373 0.000 1.017 235 N CA 1.731 54.483 53.050 -0.497 0.000 0.866 235 N CB -0.402 37.533 38.487 -0.920 0.000 0.985 235 N HN 0.484 nan 8.380 nan 0.000 0.429 236 T N -0.605 113.801 114.554 -0.247 0.000 3.098 236 T HA 0.039 4.380 4.350 -0.014 0.000 0.266 236 T C 1.141 175.840 174.700 -0.002 0.000 1.145 236 T CA 0.709 62.769 62.100 -0.066 0.000 1.092 236 T CB -0.072 68.690 68.868 -0.176 0.000 0.908 236 T HN 0.132 nan 8.240 nan 0.000 0.526 237 L N 0.639 121.823 121.223 -0.065 0.000 2.966 237 L HA 0.355 4.686 4.340 -0.014 0.000 0.262 237 L C 0.554 177.429 176.870 0.007 0.000 1.165 237 L CA -0.401 54.419 54.840 -0.033 0.000 0.978 237 L CB 0.486 42.495 42.059 -0.083 0.000 1.337 237 L HN 0.037 nan 8.230 nan 0.000 0.563 238 S N 1.169 116.888 115.700 0.031 0.000 2.544 238 S HA -0.056 4.405 4.470 -0.014 0.000 0.290 238 S C 0.178 174.860 174.600 0.136 0.000 1.276 238 S CA -0.010 58.252 58.200 0.104 0.000 1.075 238 S CB 0.395 63.710 63.200 0.192 0.000 0.849 238 S HN 0.183 nan 8.310 nan 0.000 0.494 239 D N 1.651 122.130 120.400 0.131 0.000 2.443 239 D HA -0.018 4.614 4.640 -0.014 0.000 0.239 239 D C 0.657 177.079 176.300 0.205 0.000 1.136 239 D CA -0.128 53.943 54.000 0.118 0.000 0.879 239 D CB 0.477 41.313 40.800 0.061 0.000 1.195 239 D HN 0.305 nan 8.370 nan 0.000 0.443 240 M N 2.926 122.620 119.600 0.157 0.000 2.595 240 M HA 0.018 4.490 4.480 -0.014 0.000 0.248 240 M C 1.783 178.171 176.300 0.146 0.000 1.119 240 M CA 0.239 55.669 55.300 0.217 0.000 1.079 240 M CB -1.063 31.608 32.600 0.118 0.000 1.472 240 M HN 0.502 nan 8.290 nan 0.000 0.501 241 A N 0.805 123.665 122.820 0.067 0.000 2.070 241 A HA -0.100 4.212 4.320 -0.014 0.000 0.220 241 A C 1.849 179.413 177.584 -0.033 0.000 1.159 241 A CA 1.175 53.236 52.037 0.040 0.000 0.656 241 A CB -0.857 18.170 19.000 0.046 0.000 0.800 241 A HN 0.639 nan 8.150 nan 0.000 0.453 242 I N -4.860 115.555 120.570 -0.258 0.000 3.875 242 I HA 0.332 4.494 4.170 -0.014 0.000 0.329 242 I C -0.600 175.170 176.117 -0.579 0.000 1.295 242 I CA -0.556 60.455 61.300 -0.483 0.000 1.129 242 I CB -0.052 37.435 38.000 -0.856 0.000 1.008 242 I HN 0.114 nan 8.210 nan 0.000 0.413 243 Y N 0.221 120.519 120.300 -0.003 0.000 2.446 243 Y HA 0.342 4.883 4.550 -0.014 0.000 0.345 243 Y C 0.731 176.646 175.900 0.026 0.000 0.984 243 Y CA -1.047 57.052 58.100 -0.001 0.000 1.058 243 Y CB 1.480 39.932 38.460 -0.013 0.000 1.220 243 Y HN -0.109 nan 8.280 nan 0.000 0.455 244 D N 1.358 121.879 120.400 0.201 0.000 2.269 244 D HA 0.023 4.655 4.640 -0.014 0.000 0.208 244 D C -0.025 176.333 176.300 0.097 0.000 0.963 244 D CA 0.911 54.989 54.000 0.130 0.000 0.864 244 D CB 0.416 41.282 40.800 0.110 0.000 0.936 244 D HN 0.661 nan 8.370 nan 0.000 0.505 245 R N -2.758 117.794 120.500 0.087 0.000 3.529 245 R HA 0.193 4.525 4.340 -0.014 0.000 0.278 245 R C -2.197 174.066 176.300 -0.062 0.000 0.963 245 R CA -0.927 55.179 56.100 0.009 0.000 0.863 245 R CB 0.217 30.521 30.300 0.007 0.000 1.335 245 R HN -0.123 nan 8.270 nan 0.000 0.543 246 V N 1.278 121.130 119.914 -0.104 0.000 2.444 246 V HA 0.529 4.641 4.120 -0.014 0.000 0.294 246 V C -0.705 175.301 176.094 -0.146 0.000 1.022 246 V CA -0.258 61.941 62.300 -0.167 0.000 0.850 246 V CB 1.648 33.344 31.823 -0.213 0.000 0.992 246 V HN 0.819 nan 8.190 nan 0.000 0.426 247 E N 5.747 125.855 120.200 -0.155 0.000 2.133 247 E HA 0.538 4.879 4.350 -0.014 0.000 0.274 247 E C -0.877 175.619 176.600 -0.174 0.000 0.930 247 E CA -0.755 55.560 56.400 -0.142 0.000 0.770 247 E CB 2.210 31.839 29.700 -0.118 0.000 1.104 247 E HN 0.703 nan 8.360 nan 0.000 0.403 248 V N 4.630 124.444 119.914 -0.168 0.000 2.347 248 V HA 0.318 4.430 4.120 -0.014 0.000 0.280 248 V C -0.946 175.042 176.094 -0.175 0.000 1.021 248 V CA -0.904 61.283 62.300 -0.189 0.000 0.847 248 V CB 1.047 32.746 31.823 -0.206 0.000 0.990 248 V HN 0.651 nan 8.190 nan 0.000 0.444 249 L N 7.479 128.588 121.223 -0.190 0.000 2.265 249 L HA 0.571 4.903 4.340 -0.014 0.000 0.288 249 L C 0.063 176.815 176.870 -0.195 0.000 1.058 249 L CA 0.118 54.849 54.840 -0.183 0.000 0.809 249 L CB 0.774 42.721 42.059 -0.187 0.000 1.179 249 L HN 0.728 nan 8.230 nan 0.000 0.429 250 K N 3.752 124.037 120.400 -0.193 0.000 2.164 250 K HA 0.824 5.135 4.320 -0.014 0.000 0.258 250 K C 0.078 176.535 176.600 -0.239 0.000 0.951 250 K CA -0.161 55.992 56.287 -0.223 0.000 0.844 250 K CB 1.785 34.140 32.500 -0.242 0.000 1.099 250 K HN 0.871 nan 8.250 nan 0.000 0.435 251 G N 0.985 109.632 108.800 -0.254 0.000 2.253 251 G HA2 0.095 4.046 3.960 -0.014 0.000 0.190 251 G HA3 0.095 4.046 3.960 -0.014 0.000 0.190 251 G C -1.619 173.138 174.900 -0.238 0.000 1.274 251 G CA -0.315 44.641 45.100 -0.241 0.000 1.275 251 G HN 0.691 nan 8.290 nan 0.000 0.518 252 A N 0.523 123.199 122.820 -0.240 0.000 2.285 252 A HA 0.754 5.066 4.320 -0.014 0.000 0.310 252 A C 0.509 177.955 177.584 -0.229 0.000 1.266 252 A CA 0.837 52.717 52.037 -0.262 0.000 0.832 252 A CB 0.711 19.536 19.000 -0.292 0.000 1.163 252 A HN 2.069 nan 8.150 nan 0.000 0.499 253 T N -0.146 114.271 114.554 -0.228 0.000 3.268 253 T HA 0.350 4.691 4.350 -0.014 0.000 0.258 253 T C 1.242 175.816 174.700 -0.210 0.000 0.966 253 T CA 0.407 62.386 62.100 -0.202 0.000 0.952 253 T CB 0.377 69.115 68.868 -0.216 0.000 1.132 253 T HN 0.713 nan 8.240 nan 0.000 0.536 254 G N 1.900 110.578 108.800 -0.203 0.000 2.418 254 G HA2 -0.150 3.802 3.960 -0.014 0.000 0.217 254 G HA3 -0.150 3.802 3.960 -0.014 0.000 0.217 254 G C 1.266 176.050 174.900 -0.194 0.000 1.158 254 G CA 0.936 45.914 45.100 -0.203 0.000 0.771 254 G HN 0.545 nan 8.290 nan 0.000 0.545 255 L N 0.021 121.140 121.223 -0.173 0.000 2.034 255 L HA -0.088 4.244 4.340 -0.014 0.000 0.217 255 L C 2.270 178.935 176.870 -0.342 0.000 1.077 255 L CA 1.869 56.575 54.840 -0.223 0.000 0.769 255 L CB -0.169 41.734 42.059 -0.260 0.000 0.890 255 L HN 0.257 nan 8.230 nan 0.000 0.435 256 L N -2.753 118.255 121.223 -0.359 0.000 2.731 256 L HA 0.109 4.441 4.340 -0.014 0.000 0.240 256 L C 1.765 178.453 176.870 -0.305 0.000 1.120 256 L CA 0.315 54.890 54.840 -0.442 0.000 0.913 256 L CB 0.003 41.788 42.059 -0.456 0.000 1.213 256 L HN 0.080 nan 8.230 nan 0.000 0.515 257 T N -0.434 113.970 114.554 -0.250 0.000 3.009 257 T HA 0.236 4.578 4.350 -0.014 0.000 0.258 257 T C 1.234 175.821 174.700 -0.187 0.000 1.063 257 T CA 0.963 62.938 62.100 -0.208 0.000 1.139 257 T CB 0.257 68.992 68.868 -0.222 0.000 0.890 257 T HN 0.563 nan 8.240 nan 0.000 0.471 258 G N 1.465 110.146 108.800 -0.198 0.000 2.531 258 G HA2 -0.101 3.850 3.960 -0.014 0.000 0.274 258 G HA3 -0.101 3.850 3.960 -0.014 0.000 0.274 258 G C 0.191 174.881 174.900 -0.350 0.000 1.159 258 G CA -0.279 44.705 45.100 -0.194 0.000 0.969 258 G HN 0.896 nan 8.290 nan 0.000 0.554 259 A N 0.702 123.254 122.820 -0.445 0.000 2.451 259 A HA 0.750 5.062 4.320 -0.014 0.000 0.266 259 A C 0.929 178.221 177.584 -0.488 0.000 1.119 259 A CA 1.517 53.091 52.037 -0.772 0.000 0.786 259 A CB -0.012 18.408 19.000 -0.966 0.000 1.061 259 A HN 2.500 nan 8.150 nan 0.000 0.503 260 G N 0.684 109.201 108.800 -0.472 0.000 2.634 260 G HA2 0.587 4.539 3.960 -0.014 0.000 0.309 260 G HA3 0.587 4.539 3.960 -0.014 0.000 0.309 260 G C -0.195 174.521 174.900 -0.306 0.000 1.299 260 G CA 0.183 45.090 45.100 -0.322 0.000 0.798 260 G HN 1.384 nan 8.290 nan 0.000 0.490 261 S N -1.152 114.397 115.700 -0.251 0.000 2.645 261 S HA 0.706 5.167 4.470 -0.014 0.000 0.266 261 S C 0.401 174.800 174.600 -0.335 0.000 1.258 261 S CA -0.594 57.455 58.200 -0.252 0.000 0.990 261 S CB 0.911 64.009 63.200 -0.170 0.000 0.967 261 S HN 0.570 nan 8.310 nan 0.000 0.556 262 L N 0.487 121.416 121.223 -0.490 0.000 2.479 262 L HA 0.575 4.907 4.340 -0.014 0.000 0.249 262 L C 1.760 178.350 176.870 -0.466 0.000 1.178 262 L CA 0.538 54.968 54.840 -0.682 0.000 0.811 262 L CB 0.212 41.411 42.059 -1.435 0.000 1.187 262 L HN 1.129 nan 8.230 nan 0.000 0.480 263 G N 0.256 108.851 108.800 -0.342 0.000 2.956 263 G HA2 -0.075 3.877 3.960 -0.014 0.000 0.210 263 G HA3 -0.075 3.877 3.960 -0.014 0.000 0.210 263 G C -0.054 174.742 174.900 -0.172 0.000 1.316 263 G CA 0.203 45.237 45.100 -0.109 0.000 0.819 263 G HN 1.329 nan 8.290 nan 0.000 0.544 264 A N -1.884 120.813 122.820 -0.205 0.000 2.569 264 A HA 0.728 5.040 4.320 -0.014 0.000 0.292 264 A C -0.700 176.726 177.584 -0.264 0.000 1.032 264 A CA 0.882 52.785 52.037 -0.223 0.000 0.669 264 A CB 0.659 19.538 19.000 -0.201 0.000 1.290 264 A HN 1.240 nan 8.150 nan 0.000 0.422 265 T N 1.268 115.661 114.554 -0.268 0.000 2.829 265 T HA 0.621 4.962 4.350 -0.014 0.000 0.280 265 T C -0.548 173.963 174.700 -0.315 0.000 0.999 265 T CA -0.106 61.812 62.100 -0.303 0.000 0.983 265 T CB 0.678 69.388 68.868 -0.264 0.000 0.968 265 T HN 0.448 nan 8.240 nan 0.000 0.446 266 I N 4.130 124.466 120.570 -0.390 0.000 2.330 266 I HA 0.325 4.487 4.170 -0.014 0.000 0.286 266 I C -0.032 175.889 176.117 -0.327 0.000 1.025 266 I CA -0.700 60.389 61.300 -0.353 0.000 1.197 266 I CB 0.828 38.583 38.000 -0.408 0.000 1.358 266 I HN 0.446 nan 8.210 nan 0.000 0.467 267 N N 7.854 126.381 118.700 -0.289 0.000 2.469 267 N HA 0.425 5.157 4.740 -0.014 0.000 0.253 267 N C -1.346 173.984 175.510 -0.301 0.000 0.970 267 N CA -0.415 52.459 53.050 -0.293 0.000 0.940 267 N CB 0.865 39.216 38.487 -0.226 0.000 1.128 267 N HN 0.331 nan 8.380 nan 0.000 0.503 268 L N 3.729 124.703 121.223 -0.415 0.000 2.292 268 L HA 0.466 4.798 4.340 -0.014 0.000 0.284 268 L C -0.063 176.676 176.870 -0.218 0.000 1.065 268 L CA -0.424 54.152 54.840 -0.439 0.000 0.806 268 L CB 0.836 42.420 42.059 -0.791 0.000 1.175 268 L HN 0.459 nan 8.230 nan 0.000 0.431 269 I N 3.378 123.902 120.570 -0.077 0.000 2.354 269 I HA 0.387 4.549 4.170 -0.014 0.000 0.292 269 I C 0.535 176.809 176.117 0.262 0.000 0.989 269 I CA -0.507 60.836 61.300 0.072 0.000 1.188 269 I CB 1.371 39.396 38.000 0.040 0.000 1.342 269 I HN 0.581 nan 8.210 nan 0.000 0.457 270 R N 4.064 124.706 120.500 0.237 0.000 2.582 270 R HA 0.264 4.596 4.340 -0.014 0.000 0.271 270 R C 0.041 176.434 176.300 0.155 0.000 1.078 270 R CA -0.658 55.551 56.100 0.181 0.000 1.127 270 R CB 1.032 31.370 30.300 0.064 0.000 1.038 270 R HN 0.453 nan 8.270 nan 0.000 0.500 271 K N 2.000 122.474 120.400 0.124 0.000 2.295 271 K HA 0.089 4.401 4.320 -0.014 0.000 0.270 271 K C -0.082 176.671 176.600 0.255 0.000 1.011 271 K CA 0.279 56.681 56.287 0.191 0.000 0.953 271 K CB 0.732 33.350 32.500 0.196 0.000 0.956 271 K HN 0.258 nan 8.250 nan 0.000 0.477 272 K N 2.512 123.013 120.400 0.167 0.000 2.208 272 K HA 0.391 4.703 4.320 -0.014 0.000 0.247 272 K C -2.384 174.250 176.600 0.056 0.000 0.953 272 K CA -2.177 54.189 56.287 0.130 0.000 0.837 272 K CB 1.515 34.083 32.500 0.112 0.000 1.131 272 K HN 0.357 nan 8.250 nan 0.000 0.431 273 P HA 0.113 nan 4.420 nan 0.000 0.275 273 P C -0.799 176.452 177.300 -0.080 0.000 1.266 273 P CA -0.263 62.796 63.100 -0.069 0.000 0.793 273 P CB 0.678 32.302 31.700 -0.126 0.000 1.074 274 T N -3.827 110.650 114.554 -0.128 0.000 2.812 274 T HA 0.380 4.722 4.350 -0.014 0.000 0.294 274 T C 0.516 175.082 174.700 -0.222 0.000 1.159 274 T CA -0.325 61.711 62.100 -0.107 0.000 1.008 274 T CB 0.944 69.791 68.868 -0.035 0.000 1.289 274 T HN 0.285 nan 8.240 nan 0.000 0.514 275 H N 0.012 119.043 119.070 -0.065 0.000 2.497 275 H HA 0.231 4.779 4.556 -0.013 0.000 0.282 275 H C 0.481 175.771 175.328 -0.063 0.000 1.003 275 H CA 0.672 56.672 56.048 -0.081 0.000 1.307 275 H CB 0.285 29.968 29.762 -0.130 0.000 1.437 275 H HN 0.716 nan 8.280 nan 0.000 0.544 276 E N 0.756 120.987 120.200 0.052 0.000 2.266 276 E HA 0.162 4.504 4.350 -0.014 0.000 0.277 276 E C -0.682 175.949 176.600 0.052 0.000 1.018 276 E CA -0.907 55.522 56.400 0.048 0.000 0.840 276 E CB 1.017 30.733 29.700 0.028 0.000 1.082 276 E HN 0.127 nan 8.360 nan 0.000 0.395 277 F N 2.905 122.846 119.950 -0.016 0.000 2.602 277 F HA 0.183 4.701 4.527 -0.014 0.000 0.367 277 F C -0.186 175.626 175.800 0.021 0.000 1.126 277 F CA 0.429 58.421 58.000 -0.014 0.000 1.321 277 F CB 0.374 39.361 39.000 -0.021 0.000 1.094 277 F HN 0.647 nan 8.300 nan 0.000 0.594 278 K N 3.894 123.486 120.400 -1.347 0.000 2.653 278 K HA 0.701 5.013 4.320 -0.014 0.000 0.274 278 K C -1.285 174.883 176.600 -0.719 0.000 0.974 278 K CA -0.745 54.861 56.287 -1.136 0.000 0.868 278 K CB 0.959 33.226 32.500 -0.387 0.000 1.408 278 K HN 1.002 nan 8.250 nan 0.000 0.397 279 G N 0.995 109.587 108.800 -0.347 0.000 2.606 279 G HA2 0.685 4.637 3.960 -0.014 0.000 0.300 279 G HA3 0.685 4.637 3.960 -0.014 0.000 0.300 279 G C -1.770 172.948 174.900 -0.304 0.000 1.360 279 G CA -0.598 44.430 45.100 -0.119 0.000 0.783 279 G HN 1.039 nan 8.290 nan 0.000 0.484 280 H N -2.630 116.218 119.070 -0.370 0.000 2.966 280 H HA 0.798 5.345 4.556 -0.014 0.000 0.330 280 H C -1.858 173.208 175.328 -0.436 0.000 1.292 280 H CA -1.033 54.618 56.048 -0.663 0.000 1.127 280 H CB 1.596 31.156 29.762 -0.337 0.000 1.863 280 H HN 0.599 nan 8.280 nan 0.000 0.543 281 V N 0.573 120.335 119.914 -0.254 0.000 2.760 281 V HA 0.344 4.456 4.120 -0.014 0.000 0.309 281 V C -0.481 175.702 176.094 0.149 0.000 1.077 281 V CA -0.647 61.629 62.300 -0.041 0.000 0.910 281 V CB 2.019 33.833 31.823 -0.014 0.000 1.008 281 V HN 0.897 nan 8.190 nan 0.000 0.424 282 E N 3.391 123.700 120.200 0.181 0.000 2.314 282 E HA 0.797 5.139 4.350 -0.014 0.000 0.272 282 E C -1.985 174.710 176.600 0.158 0.000 0.884 282 E CA -0.556 55.952 56.400 0.179 0.000 0.753 282 E CB 2.188 32.005 29.700 0.195 0.000 1.213 282 E HN 0.624 nan 8.360 nan 0.000 0.432 283 L N 2.668 123.980 121.223 0.149 0.000 2.455 283 L HA 0.811 5.143 4.340 -0.014 0.000 0.264 283 L C -0.321 176.629 176.870 0.134 0.000 0.968 283 L CA -0.804 54.125 54.840 0.149 0.000 0.827 283 L CB 2.384 44.538 42.059 0.158 0.000 1.317 283 L HN 0.719 nan 8.230 nan 0.000 0.407 284 G N 1.518 110.401 108.800 0.138 0.000 2.659 284 G HA2 0.829 4.781 3.960 -0.014 0.000 0.296 284 G HA3 0.829 4.781 3.960 -0.014 0.000 0.296 284 G C -1.873 173.087 174.900 0.101 0.000 1.369 284 G CA -0.407 44.762 45.100 0.114 0.000 0.937 284 G HN 0.747 nan 8.290 nan 0.000 0.485 285 A N 0.030 122.893 122.820 0.072 0.000 2.513 285 A HA 0.852 5.164 4.320 -0.014 0.000 0.285 285 A C -0.060 177.532 177.584 0.014 0.000 1.047 285 A CA 0.194 52.205 52.037 -0.043 0.000 0.864 285 A CB 1.147 20.114 19.000 -0.054 0.000 1.373 285 A HN 1.887 nan 8.150 nan 0.000 0.403 286 G N 0.184 108.930 108.800 -0.091 0.000 2.818 286 G HA2 0.617 4.569 3.960 -0.014 0.000 0.286 286 G HA3 0.617 4.569 3.960 -0.014 0.000 0.286 286 G C -0.151 174.644 174.900 -0.175 0.000 1.364 286 G CA -0.379 44.676 45.100 -0.074 0.000 0.938 286 G HN 1.107 nan 8.290 nan 0.000 0.490 287 S N 0.586 116.113 115.700 -0.289 0.000 2.643 287 S HA 0.014 4.476 4.470 -0.014 0.000 0.310 287 S C -0.160 174.212 174.600 -0.381 0.000 1.253 287 S CA 0.920 58.729 58.200 -0.653 0.000 1.047 287 S CB -0.308 62.157 63.200 -1.226 0.000 0.767 287 S HN 0.706 nan 8.310 nan 0.000 0.498 288 W N 1.648 122.960 121.300 0.020 0.000 4.754 288 W HA -0.167 4.485 4.660 -0.013 0.000 0.389 288 W C -0.205 176.293 176.519 -0.035 0.000 1.497 288 W CA 0.279 57.648 57.345 0.039 0.000 0.851 288 W CB -2.917 26.621 29.460 0.130 0.000 2.661 288 W HN 0.993 nan 8.180 nan 0.000 1.339 289 D N -0.572 119.805 120.400 -0.038 0.000 2.689 289 D HA -0.217 4.415 4.640 -0.014 0.000 0.237 289 D C 0.160 176.389 176.300 -0.119 0.000 1.148 289 D CA 1.376 55.279 54.000 -0.163 0.000 0.656 289 D CB -1.157 39.520 40.800 -0.204 0.000 1.050 289 D HN 0.329 nan 8.370 nan 0.000 0.426 290 N N 0.726 119.307 118.700 -0.199 0.000 2.457 290 N HA 0.271 5.003 4.740 -0.014 0.000 0.250 290 N C -1.382 174.012 175.510 -0.194 0.000 0.982 290 N CA -0.058 52.962 53.050 -0.050 0.000 0.941 290 N CB 0.402 38.913 38.487 0.038 0.000 1.120 290 N HN 0.073 nan 8.380 nan 0.000 0.505 291 Y N 1.589 121.898 120.300 0.015 0.000 2.462 291 Y HA 0.478 5.020 4.550 -0.014 0.000 0.346 291 Y C 0.314 176.205 175.900 -0.015 0.000 0.976 291 Y CA -1.019 57.089 58.100 0.014 0.000 1.044 291 Y CB 2.000 40.469 38.460 0.015 0.000 1.230 291 Y HN 0.379 nan 8.280 nan 0.000 0.455 292 R N 1.677 122.282 120.500 0.175 0.000 2.522 292 R HA 0.690 5.022 4.340 -0.014 0.000 0.283 292 R C -1.680 174.700 176.300 0.133 0.000 1.074 292 R CA -0.491 55.667 56.100 0.097 0.000 0.925 292 R CB 1.474 31.812 30.300 0.064 0.000 1.205 292 R HN 0.774 nan 8.270 nan 0.000 0.436 293 S N 2.190 117.978 115.700 0.146 0.000 2.648 293 S HA 0.604 5.065 4.470 -0.014 0.000 0.305 293 S C -0.803 173.877 174.600 0.133 0.000 1.094 293 S CA -0.824 57.469 58.200 0.155 0.000 0.983 293 S CB 2.121 65.428 63.200 0.180 0.000 1.101 293 S HN 0.725 nan 8.310 nan 0.000 0.514 294 E N 0.375 120.647 120.200 0.121 0.000 2.347 294 E HA 0.461 4.802 4.350 -0.014 0.000 0.285 294 E C -2.339 174.289 176.600 0.047 0.000 0.925 294 E CA -0.754 55.700 56.400 0.091 0.000 0.779 294 E CB 1.567 31.330 29.700 0.105 0.000 1.233 294 E HN 0.526 nan 8.360 nan 0.000 0.414 295 L N 3.825 125.053 121.223 0.008 0.000 2.365 295 L HA 0.666 4.998 4.340 -0.014 0.000 0.273 295 L C -1.713 175.088 176.870 -0.115 0.000 1.000 295 L CA -0.319 54.492 54.840 -0.047 0.000 0.819 295 L CB 1.732 43.808 42.059 0.028 0.000 1.284 295 L HN 0.620 nan 8.230 nan 0.000 0.418 296 D N 3.690 123.933 120.400 -0.263 0.000 2.763 296 D HA 0.571 5.203 4.640 -0.014 0.000 0.235 296 D C -1.891 174.291 176.300 -0.197 0.000 1.334 296 D CA -0.010 53.828 54.000 -0.270 0.000 0.950 296 D CB 1.796 42.300 40.800 -0.493 0.000 1.433 296 D HN 0.294 nan 8.370 nan 0.000 0.580 297 V N 2.212 122.067 119.914 -0.098 0.000 2.808 297 V HA 0.798 4.910 4.120 -0.014 0.000 0.308 297 V C -0.564 175.474 176.094 -0.094 0.000 1.099 297 V CA -0.652 61.607 62.300 -0.067 0.000 0.920 297 V CB 1.901 33.719 31.823 -0.008 0.000 1.014 297 V HN 0.576 nan 8.190 nan 0.000 0.425 298 S N 2.196 117.809 115.700 -0.145 0.000 2.542 298 S HA 0.926 5.388 4.470 -0.014 0.000 0.276 298 S C -0.439 174.092 174.600 -0.115 0.000 1.148 298 S CA 0.464 58.589 58.200 -0.125 0.000 0.886 298 S CB 1.797 64.923 63.200 -0.123 0.000 1.109 298 S HN 1.949 nan 8.310 nan 0.000 0.458 299 G N 2.795 111.553 108.800 -0.070 0.000 2.345 299 G HA2 0.348 4.300 3.960 -0.014 0.000 0.285 299 G HA3 0.348 4.300 3.960 -0.014 0.000 0.285 299 G C -3.554 171.298 174.900 -0.079 0.000 1.297 299 G CA -0.518 44.556 45.100 -0.043 0.000 0.875 299 G HN 0.617 nan 8.290 nan 0.000 0.506 300 P HA 0.369 nan 4.420 nan 0.000 0.276 300 P C 0.225 177.488 177.300 -0.061 0.000 1.230 300 P CA -0.040 63.010 63.100 -0.083 0.000 0.776 300 P CB 1.481 33.159 31.700 -0.037 0.000 0.888 301 L N 1.719 122.886 121.223 -0.094 0.000 2.858 301 L HA 0.177 4.509 4.340 -0.014 0.000 0.251 301 L C 0.797 177.625 176.870 -0.070 0.000 1.149 301 L CA 0.393 55.180 54.840 -0.088 0.000 0.955 301 L CB 0.400 42.383 42.059 -0.127 0.000 1.289 301 L HN 0.498 nan 8.230 nan 0.000 0.542 302 T N -5.288 109.231 114.554 -0.059 0.000 2.900 302 T HA 0.202 4.544 4.350 -0.014 0.000 0.303 302 T C 0.837 175.524 174.700 -0.023 0.000 1.142 302 T CA -0.668 61.411 62.100 -0.034 0.000 1.007 302 T CB 1.702 70.557 68.868 -0.021 0.000 1.156 302 T HN 0.232 nan 8.240 nan 0.000 0.490 303 E N 1.697 121.888 120.200 -0.016 0.000 2.136 303 E HA -0.300 4.042 4.350 -0.014 0.000 0.202 303 E C 1.894 178.494 176.600 -0.001 0.000 1.019 303 E CA 2.074 58.468 56.400 -0.009 0.000 0.819 303 E CB -0.647 29.048 29.700 -0.007 0.000 0.739 303 E HN 0.732 nan 8.360 nan 0.000 0.458 304 S N -0.421 115.283 115.700 0.006 0.000 2.395 304 S HA 0.203 4.665 4.470 -0.014 0.000 0.225 304 S C 1.823 176.438 174.600 0.025 0.000 1.027 304 S CA 0.544 58.754 58.200 0.016 0.000 0.965 304 S CB 0.341 63.555 63.200 0.023 0.000 0.812 304 S HN 0.676 nan 8.310 nan 0.000 0.482 305 G N 2.380 111.191 108.800 0.017 0.000 2.184 305 G HA2 -0.248 3.703 3.960 -0.014 0.000 0.206 305 G HA3 -0.248 3.703 3.960 -0.014 0.000 0.206 305 G C 0.598 175.513 174.900 0.024 0.000 0.995 305 G CA 0.209 45.330 45.100 0.034 0.000 0.651 305 G HN 0.625 nan 8.290 nan 0.000 0.511 306 N N 0.379 119.089 118.700 0.018 0.000 2.463 306 N HA 0.152 4.883 4.740 -0.014 0.000 0.181 306 N C 0.897 176.386 175.510 -0.035 0.000 1.078 306 N CA 1.068 54.134 53.050 0.028 0.000 0.902 306 N CB 0.201 38.722 38.487 0.056 0.000 0.970 306 N HN 1.360 nan 8.380 nan 0.000 0.451 307 V N -2.013 117.833 119.914 -0.114 0.000 2.769 307 V HA 0.750 4.862 4.120 -0.014 0.000 0.312 307 V C -0.853 175.065 176.094 -0.294 0.000 1.061 307 V CA -0.995 61.121 62.300 -0.307 0.000 0.931 307 V CB 2.141 33.688 31.823 -0.460 0.000 1.010 307 V HN 0.078 nan 8.190 nan 0.000 0.433 308 R N 2.285 122.563 120.500 -0.370 0.000 2.710 308 R HA 0.837 5.169 4.340 -0.014 0.000 0.270 308 R C -0.551 175.579 176.300 -0.284 0.000 1.021 308 R CA -0.216 55.707 56.100 -0.294 0.000 0.889 308 R CB 2.545 32.646 30.300 -0.333 0.000 1.243 308 R HN 1.276 nan 8.270 nan 0.000 0.464 309 G N 0.699 109.372 108.800 -0.213 0.000 2.698 309 G HA2 0.604 4.556 3.960 -0.014 0.000 0.293 309 G HA3 0.604 4.556 3.960 -0.014 0.000 0.293 309 G C -1.896 172.910 174.900 -0.156 0.000 1.437 309 G CA -0.591 44.393 45.100 -0.193 0.000 0.852 309 G HN 0.451 nan 8.290 nan 0.000 0.499 310 R N -0.320 120.074 120.500 -0.178 0.000 2.725 310 R HA 0.800 5.132 4.340 -0.014 0.000 0.277 310 R C -1.167 174.999 176.300 -0.224 0.000 0.987 310 R CA -0.480 55.524 56.100 -0.160 0.000 0.901 310 R CB 2.159 32.393 30.300 -0.110 0.000 1.207 310 R HN 1.156 nan 8.270 nan 0.000 0.463 311 A N 2.572 125.302 122.820 -0.151 0.000 2.488 311 A HA 0.645 4.956 4.320 -0.014 0.000 0.298 311 A C -1.600 175.958 177.584 -0.042 0.000 1.044 311 A CA -0.557 51.399 52.037 -0.135 0.000 0.693 311 A CB 1.920 20.864 19.000 -0.093 0.000 1.272 311 A HN 0.704 nan 8.150 nan 0.000 0.402 312 V N 0.064 119.997 119.914 0.032 0.000 2.971 312 V HA 0.995 5.107 4.120 -0.014 0.000 0.309 312 V C -0.660 175.511 176.094 0.128 0.000 1.130 312 V CA 0.110 62.459 62.300 0.083 0.000 0.964 312 V CB 1.732 33.629 31.823 0.124 0.000 1.029 312 V HN 2.454 nan 8.190 nan 0.000 0.427 313 A N 3.765 126.636 122.820 0.084 0.000 2.520 313 A HA 1.079 5.391 4.320 -0.014 0.000 0.298 313 A C -0.490 177.105 177.584 0.018 0.000 1.051 313 A CA -0.154 51.912 52.037 0.048 0.000 0.690 313 A CB 1.756 20.838 19.000 0.137 0.000 1.281 313 A HN 2.598 nan 8.150 nan 0.000 0.402 314 A N 0.668 123.474 122.820 -0.023 0.000 2.549 314 A HA 0.785 5.097 4.320 -0.014 0.000 0.297 314 A C -1.818 175.818 177.584 0.087 0.000 1.061 314 A CA -0.405 51.659 52.037 0.045 0.000 0.690 314 A CB 1.263 20.289 19.000 0.042 0.000 1.287 314 A HN 1.927 nan 8.150 nan 0.000 0.402 315 Y N 0.562 120.853 120.300 -0.016 0.000 2.504 315 Y HA 0.689 5.230 4.550 -0.016 0.000 0.344 315 Y C -0.713 175.215 175.900 0.047 0.000 1.023 315 Y CA -0.468 57.630 58.100 -0.004 0.000 1.020 315 Y CB 2.130 40.589 38.460 -0.002 0.000 1.282 315 Y HN 0.899 nan 8.280 nan 0.000 0.454 316 Q N 4.080 123.485 119.800 -0.657 0.000 2.309 316 Q HA 0.469 4.801 4.340 -0.014 0.000 0.273 316 Q C -2.476 173.199 176.000 -0.542 0.000 1.040 316 Q CA -0.658 54.893 55.803 -0.420 0.000 0.834 316 Q CB 1.967 30.619 28.738 -0.142 0.000 1.345 316 Q HN 0.684 nan 8.270 nan 0.000 0.414 317 D N 2.703 122.928 120.400 -0.291 0.000 2.763 317 D HA 0.382 5.013 4.640 -0.014 0.000 0.235 317 D C -1.957 174.395 176.300 0.087 0.000 1.334 317 D CA -0.395 53.525 54.000 -0.134 0.000 0.950 317 D CB 0.995 41.717 40.800 -0.131 0.000 1.433 317 D HN 0.573 nan 8.370 nan 0.000 0.580 318 K N 1.966 122.448 120.400 0.137 0.000 2.498 318 K HA 0.538 4.849 4.320 -0.014 0.000 0.254 318 K C -0.673 176.133 176.600 0.344 0.000 0.933 318 K CA -0.761 55.656 56.287 0.217 0.000 0.806 318 K CB 1.903 34.512 32.500 0.182 0.000 1.301 318 K HN 0.351 nan 8.250 nan 0.000 0.432 319 H N 0.212 119.383 119.070 0.168 0.000 2.683 319 H HA 0.525 5.074 4.556 -0.012 0.000 0.276 319 H C -0.384 175.060 175.328 0.194 0.000 1.564 319 H CA -1.225 54.909 56.048 0.144 0.000 1.590 319 H CB 1.688 31.539 29.762 0.148 0.000 1.692 319 H HN 0.618 nan 8.280 nan 0.000 0.871 320 S N -1.094 114.733 115.700 0.212 0.000 2.643 320 S HA 0.120 4.582 4.470 -0.014 0.000 0.270 320 S C 0.289 174.442 174.600 -0.746 0.000 1.166 320 S CA -0.659 57.445 58.200 -0.159 0.000 0.815 320 S CB 0.427 63.508 63.200 -0.199 0.000 1.139 320 S HN 0.538 nan 8.310 nan 0.000 0.472 321 F N 1.427 120.495 119.950 -1.469 0.000 2.134 321 F HA 0.317 4.837 4.527 -0.011 0.000 0.299 321 F C 1.029 176.516 175.800 -0.521 0.000 1.097 321 F CA 0.499 57.698 58.000 -1.335 0.000 1.264 321 F CB -0.860 37.437 39.000 -1.172 0.000 1.001 321 F HN 0.339 nan 8.300 nan 0.000 0.479 322 M N 2.530 121.348 119.600 -1.302 0.000 2.260 322 M HA -0.062 4.410 4.480 -0.014 0.000 0.348 322 M C 0.474 176.532 176.300 -0.403 0.000 1.342 322 M CA 0.442 55.286 55.300 -0.760 0.000 1.040 322 M CB -0.105 31.991 32.600 -0.840 0.000 1.810 322 M HN 0.189 nan 8.290 nan 0.000 0.453 323 D N 3.859 124.117 120.400 -0.236 0.000 2.443 323 D HA -0.137 4.495 4.640 -0.014 0.000 0.234 323 D C 0.875 176.997 176.300 -0.297 0.000 1.172 323 D CA 0.619 54.555 54.000 -0.107 0.000 0.878 323 D CB 0.444 41.274 40.800 0.050 0.000 1.204 323 D HN 0.917 nan 8.370 nan 0.000 0.453 324 H N 0.900 119.877 119.070 -0.155 0.000 2.650 324 H HA -0.306 4.241 4.556 -0.015 0.000 0.317 324 H C -1.096 174.155 175.328 -0.129 0.000 1.037 324 H CA 0.695 56.638 56.048 -0.176 0.000 1.152 324 H CB -2.728 26.895 29.762 -0.233 0.000 1.395 324 H HN 0.372 nan 8.280 nan 0.000 0.388 325 Y N 1.815 121.880 120.300 -0.391 0.000 2.320 325 Y HA 0.450 4.993 4.550 -0.011 0.000 0.334 325 Y C 0.259 176.021 175.900 -0.230 0.000 1.055 325 Y CA -0.431 57.488 58.100 -0.302 0.000 1.143 325 Y CB 1.145 39.415 38.460 -0.317 0.000 1.193 325 Y HN 0.566 nan 8.280 nan 0.000 0.477 326 E N 4.408 124.189 120.200 -0.700 0.000 2.413 326 E HA 0.593 4.935 4.350 -0.014 0.000 0.277 326 E C -1.752 174.494 176.600 -0.590 0.000 0.958 326 E CA -1.297 54.806 56.400 -0.494 0.000 0.779 326 E CB 1.954 31.380 29.700 -0.456 0.000 1.278 326 E HN 0.585 nan 8.360 nan 0.000 0.456 327 R N 1.609 121.946 120.500 -0.273 0.000 2.605 327 R HA 0.286 4.618 4.340 -0.014 0.000 0.291 327 R C -1.332 174.937 176.300 -0.051 0.000 1.226 327 R CA -0.627 55.361 56.100 -0.186 0.000 0.981 327 R CB 1.052 31.259 30.300 -0.154 0.000 1.215 327 R HN 0.542 nan 8.270 nan 0.000 0.428 328 K N 2.954 123.339 120.400 -0.024 0.000 2.316 328 K HA 0.145 4.457 4.320 -0.014 0.000 0.289 328 K C -0.201 176.408 176.600 0.015 0.000 1.070 328 K CA -0.081 56.200 56.287 -0.009 0.000 0.928 328 K CB 1.394 33.971 32.500 0.128 0.000 1.039 328 K HN 0.620 nan 8.250 nan 0.000 0.480 329 T N -0.728 113.798 114.554 -0.047 0.000 2.855 329 T HA 0.431 4.773 4.350 -0.014 0.000 0.281 329 T C -0.213 174.555 174.700 0.114 0.000 1.007 329 T CA -0.722 61.396 62.100 0.031 0.000 1.009 329 T CB 1.399 70.271 68.868 0.007 0.000 0.983 329 T HN 0.251 nan 8.240 nan 0.000 0.455 330 S N 1.733 117.540 115.700 0.178 0.000 2.500 330 S HA 0.727 5.189 4.470 -0.014 0.000 0.301 330 S C -0.740 173.873 174.600 0.021 0.000 1.092 330 S CA -0.795 57.499 58.200 0.157 0.000 1.030 330 S CB 1.536 64.843 63.200 0.179 0.000 1.031 330 S HN 1.163 nan 8.310 nan 0.000 0.483 331 V N 3.878 123.695 119.914 -0.163 0.000 2.623 331 V HA 0.731 4.843 4.120 -0.014 0.000 0.304 331 V C -2.244 173.673 176.094 -0.296 0.000 1.054 331 V CA -0.460 61.782 62.300 -0.096 0.000 0.882 331 V CB 0.946 32.766 31.823 -0.006 0.000 1.002 331 V HN 0.837 nan 8.190 nan 0.000 0.424 332 Y N 5.918 126.375 120.300 0.262 0.000 2.509 332 Y HA 0.830 5.371 4.550 -0.016 0.000 0.341 332 Y C -0.629 175.424 175.900 0.255 0.000 1.038 332 Y CA -0.812 57.395 58.100 0.178 0.000 1.089 332 Y CB 2.062 40.564 38.460 0.070 0.000 1.241 332 Y HN 0.814 nan 8.280 nan 0.000 0.468 333 Y N 0.119 120.538 120.300 0.199 0.000 2.513 333 Y HA 0.786 5.328 4.550 -0.014 0.000 0.340 333 Y C -1.078 174.871 175.900 0.082 0.000 1.055 333 Y CA -1.647 56.527 58.100 0.123 0.000 1.020 333 Y CB 2.190 40.681 38.460 0.051 0.000 1.301 333 Y HN 0.724 nan 8.280 nan 0.000 0.453 334 G N 4.952 113.547 108.800 -0.341 0.000 2.766 334 G HA2 0.577 4.529 3.960 -0.014 0.000 0.297 334 G HA3 0.577 4.529 3.960 -0.014 0.000 0.297 334 G C -2.450 172.175 174.900 -0.458 0.000 1.431 334 G CA -0.687 44.131 45.100 -0.469 0.000 1.042 334 G HN 0.850 nan 8.290 nan 0.000 0.542 335 I N 1.698 122.002 120.570 -0.443 0.000 2.534 335 I HA 0.628 4.790 4.170 -0.014 0.000 0.288 335 I C -1.374 174.629 176.117 -0.189 0.000 1.077 335 I CA -1.111 60.037 61.300 -0.253 0.000 1.051 335 I CB 1.718 39.632 38.000 -0.143 0.000 1.234 335 I HN 0.352 nan 8.210 nan 0.000 0.425 336 L N 6.900 128.038 121.223 -0.141 0.000 2.341 336 L HA 0.557 4.889 4.340 -0.014 0.000 0.278 336 L C -0.601 176.141 176.870 -0.213 0.000 1.005 336 L CA -0.550 54.150 54.840 -0.234 0.000 0.818 336 L CB 1.960 43.888 42.059 -0.218 0.000 1.259 336 L HN 0.551 nan 8.230 nan 0.000 0.418 337 E N 2.291 122.294 120.200 -0.328 0.000 2.171 337 E HA 0.542 4.884 4.350 -0.014 0.000 0.271 337 E C -1.601 174.772 176.600 -0.379 0.000 0.916 337 E CA -0.534 55.760 56.400 -0.177 0.000 0.774 337 E CB 1.702 31.341 29.700 -0.102 0.000 1.128 337 E HN 0.240 nan 8.360 nan 0.000 0.403 338 F N 1.650 121.602 119.950 0.003 0.000 2.507 338 F HA 0.271 4.790 4.527 -0.014 0.000 0.325 338 F C -0.080 175.735 175.800 0.025 0.000 1.116 338 F CA -0.993 57.010 58.000 0.006 0.000 0.930 338 F CB 1.522 40.523 39.000 0.001 0.000 1.146 338 F HN 0.256 nan 8.300 nan 0.000 0.447 339 D N 5.016 125.528 120.400 0.186 0.000 2.557 339 D HA 0.244 4.876 4.640 -0.014 0.000 0.236 339 D C 1.633 178.010 176.300 0.128 0.000 1.154 339 D CA 0.093 54.176 54.000 0.139 0.000 0.985 339 D CB 0.514 41.378 40.800 0.106 0.000 1.010 339 D HN 0.493 nan 8.370 nan 0.000 0.516 340 L N 0.903 122.203 121.223 0.128 0.000 2.149 340 L HA -0.334 3.998 4.340 -0.014 0.000 0.223 340 L C 0.765 177.675 176.870 0.067 0.000 1.089 340 L CA 1.622 56.510 54.840 0.080 0.000 0.800 340 L CB -0.763 41.330 42.059 0.057 0.000 0.897 340 L HN 0.418 nan 8.230 nan 0.000 0.443 341 N N -4.937 113.807 118.700 0.073 0.000 3.355 341 N HA 0.177 4.909 4.740 -0.014 0.000 0.238 341 N C -2.705 172.843 175.510 0.064 0.000 1.466 341 N CA -1.323 51.765 53.050 0.062 0.000 0.882 341 N CB 0.495 39.015 38.487 0.055 0.000 1.406 341 N HN -0.393 nan 8.380 nan 0.000 0.500 342 P HA 0.106 nan 4.420 nan 0.000 0.242 342 P C -0.704 176.615 177.300 0.031 0.000 1.197 342 P CA 1.032 64.162 63.100 0.049 0.000 0.765 342 P CB -0.178 31.550 31.700 0.047 0.000 0.936 343 D N -3.640 116.767 120.400 0.012 0.000 2.503 343 D HA 0.073 4.705 4.640 -0.014 0.000 0.218 343 D C -0.276 175.992 176.300 -0.053 0.000 1.183 343 D CA -0.118 53.844 54.000 -0.065 0.000 0.827 343 D CB -0.253 40.449 40.800 -0.163 0.000 1.034 343 D HN -0.185 nan 8.370 nan 0.000 0.510 344 T N 1.086 115.685 114.554 0.075 0.000 2.815 344 T HA 0.391 4.733 4.350 -0.014 0.000 0.289 344 T C -0.911 173.853 174.700 0.106 0.000 1.000 344 T CA -0.539 61.645 62.100 0.141 0.000 0.958 344 T CB 1.441 70.417 68.868 0.180 0.000 0.944 344 T HN 0.095 nan 8.240 nan 0.000 0.442 345 M N 4.432 124.096 119.600 0.107 0.000 2.243 345 M HA 0.607 5.079 4.480 -0.014 0.000 0.324 345 M C -1.633 174.747 176.300 0.133 0.000 1.031 345 M CA -1.195 54.178 55.300 0.121 0.000 0.949 345 M CB 1.308 33.978 32.600 0.116 0.000 1.615 345 M HN 0.499 nan 8.290 nan 0.000 0.430 346 L N 5.128 126.448 121.223 0.162 0.000 2.287 346 L HA 0.589 4.921 4.340 -0.014 0.000 0.287 346 L C -1.092 175.922 176.870 0.240 0.000 1.022 346 L CA 0.346 55.286 54.840 0.168 0.000 0.814 346 L CB 1.797 43.926 42.059 0.117 0.000 1.217 346 L HN 0.655 nan 8.230 nan 0.000 0.420 347 T N 5.231 119.908 114.554 0.206 0.000 2.779 347 T HA 0.624 4.966 4.350 -0.014 0.000 0.280 347 T C -0.716 174.081 174.700 0.161 0.000 0.987 347 T CA -0.388 61.837 62.100 0.209 0.000 0.966 347 T CB 1.454 70.462 68.868 0.234 0.000 0.933 347 T HN 0.617 nan 8.240 nan 0.000 0.442 348 V N 1.032 121.006 119.914 0.100 0.000 2.735 348 V HA 1.074 5.186 4.120 -0.014 0.000 0.310 348 V C -0.346 175.581 176.094 -0.279 0.000 1.061 348 V CA -0.244 62.011 62.300 -0.073 0.000 0.913 348 V CB 1.580 33.398 31.823 -0.008 0.000 1.005 348 V HN 1.126 nan 8.190 nan 0.000 0.428 349 G N 2.480 110.878 108.800 -0.670 0.000 2.576 349 G HA2 0.922 4.874 3.960 -0.014 0.000 0.290 349 G HA3 0.922 4.874 3.960 -0.014 0.000 0.290 349 G C -1.199 173.327 174.900 -0.624 0.000 1.442 349 G CA -0.234 44.470 45.100 -0.659 0.000 0.792 349 G HN 1.888 nan 8.290 nan 0.000 0.491 350 A N -0.033 122.699 122.820 -0.147 0.000 2.515 350 A HA 0.890 5.202 4.320 -0.014 0.000 0.298 350 A C -1.143 176.663 177.584 0.370 0.000 1.059 350 A CA -0.068 52.038 52.037 0.116 0.000 0.698 350 A CB 2.135 21.182 19.000 0.078 0.000 1.289 350 A HN 1.389 nan 8.150 nan 0.000 0.404 351 D N -1.081 119.559 120.400 0.401 0.000 2.559 351 D HA 0.663 5.295 4.640 -0.014 0.000 0.250 351 D C -1.116 175.396 176.300 0.354 0.000 1.135 351 D CA -0.497 53.741 54.000 0.396 0.000 0.955 351 D CB 1.331 42.282 40.800 0.250 0.000 1.442 351 D HN 0.747 nan 8.370 nan 0.000 0.471 352 Y N -0.232 120.178 120.300 0.183 0.000 2.390 352 Y HA 0.393 4.933 4.550 -0.016 0.000 0.324 352 Y C -2.071 173.916 175.900 0.145 0.000 1.151 352 Y CA -0.521 57.689 58.100 0.183 0.000 1.053 352 Y CB 1.738 40.351 38.460 0.254 0.000 1.277 352 Y HN 0.680 nan 8.280 nan 0.000 0.432 353 Q N 4.691 124.236 119.800 -0.424 0.000 2.305 353 Q HA 0.421 4.753 4.340 -0.014 0.000 0.271 353 Q C -2.271 173.506 176.000 -0.372 0.000 1.046 353 Q CA -0.793 54.863 55.803 -0.245 0.000 0.798 353 Q CB 1.982 30.669 28.738 -0.084 0.000 1.286 353 Q HN 0.743 nan 8.270 nan 0.000 0.435 354 D N 2.210 122.517 120.400 -0.155 0.000 2.375 354 D HA 0.364 4.996 4.640 -0.014 0.000 0.247 354 D C -1.276 175.047 176.300 0.038 0.000 1.061 354 D CA -0.348 53.635 54.000 -0.028 0.000 0.834 354 D CB 1.145 41.997 40.800 0.086 0.000 1.247 354 D HN 0.485 nan 8.370 nan 0.000 0.489 355 N N 2.975 121.699 118.700 0.039 0.000 2.407 355 N HA 0.285 5.017 4.740 -0.014 0.000 0.277 355 N C -1.469 174.074 175.510 0.054 0.000 0.995 355 N CA -0.533 52.532 53.050 0.026 0.000 0.903 355 N CB 1.871 40.343 38.487 -0.026 0.000 1.218 355 N HN 0.404 nan 8.380 nan 0.000 0.487 356 D N 2.421 122.851 120.400 0.050 0.000 2.429 356 D HA 0.293 4.925 4.640 -0.014 0.000 0.255 356 D C -2.655 173.654 176.300 0.015 0.000 1.257 356 D CA -1.428 52.609 54.000 0.063 0.000 0.890 356 D CB 1.653 42.499 40.800 0.078 0.000 1.267 356 D HN 0.209 nan 8.370 nan 0.000 0.521 357 P HA 0.553 nan 4.420 nan 0.000 0.284 357 P C -0.939 176.294 177.300 -0.111 0.000 1.287 357 P CA -0.798 62.221 63.100 -0.135 0.000 0.824 357 P CB 1.596 33.258 31.700 -0.063 0.000 1.180 358 K N -1.327 118.904 120.400 -0.283 0.000 2.501 358 K HA 0.559 4.871 4.320 -0.014 0.000 0.252 358 K C 0.132 176.635 176.600 -0.162 0.000 0.934 358 K CA 0.156 56.358 56.287 -0.142 0.000 0.797 358 K CB 0.937 33.356 32.500 -0.134 0.000 1.270 358 K HN 0.703 nan 8.250 nan 0.000 0.431 359 G N 1.410 110.201 108.800 -0.015 0.000 2.160 359 G HA2 -0.258 3.693 3.960 -0.014 0.000 0.251 359 G HA3 -0.258 3.693 3.960 -0.014 0.000 0.251 359 G C -0.202 174.808 174.900 0.184 0.000 1.008 359 G CA 0.504 45.627 45.100 0.038 0.000 0.724 359 G HN 0.510 nan 8.290 nan 0.000 0.514 360 S N -0.126 115.721 115.700 0.246 0.000 2.568 360 S HA 0.517 4.979 4.470 -0.014 0.000 0.282 360 S C 1.027 175.785 174.600 0.263 0.000 1.338 360 S CA 0.360 58.765 58.200 0.341 0.000 1.045 360 S CB 1.438 64.865 63.200 0.379 0.000 0.873 360 S HN 1.287 nan 8.310 nan 0.000 0.516 361 G N -0.094 108.868 108.800 0.270 0.000 2.552 361 G HA2 0.497 4.449 3.960 -0.014 0.000 0.324 361 G HA3 0.497 4.449 3.960 -0.014 0.000 0.324 361 G C -0.272 174.859 174.900 0.385 0.000 1.217 361 G CA -0.846 44.428 45.100 0.291 0.000 0.989 361 G HN 0.872 nan 8.290 nan 0.000 0.490 362 W N 0.242 121.633 121.300 0.152 0.000 2.846 362 W HA 0.265 4.914 4.660 -0.018 0.000 0.273 362 W C 0.930 177.544 176.519 0.159 0.000 1.081 362 W CA 0.732 58.139 57.345 0.102 0.000 1.692 362 W CB 0.682 30.165 29.460 0.039 0.000 1.106 362 W HN 0.588 nan 8.180 nan 0.000 0.577 363 S N 0.948 117.040 115.700 0.654 0.000 2.620 363 S HA 0.661 5.123 4.470 -0.014 0.000 0.244 363 S C -0.309 174.509 174.600 0.364 0.000 1.192 363 S CA -0.151 58.415 58.200 0.611 0.000 1.148 363 S CB 0.732 64.193 63.200 0.434 0.000 1.106 363 S HN 0.858 nan 8.310 nan 0.000 0.474 364 G N 1.934 110.920 108.800 0.311 0.000 2.655 364 G HA2 -0.068 3.884 3.960 -0.014 0.000 0.680 364 G HA3 -0.068 3.884 3.960 -0.014 0.000 0.680 364 G C 0.263 175.220 174.900 0.095 0.000 1.302 364 G CA -0.259 44.912 45.100 0.119 0.000 0.872 364 G HN 0.916 nan 8.290 nan 0.000 0.540 365 S N -0.651 115.054 115.700 0.007 0.000 2.497 365 S HA 0.553 5.015 4.470 -0.014 0.000 0.218 365 S C 0.222 175.114 174.600 0.488 0.000 1.023 365 S CA 1.555 59.889 58.200 0.224 0.000 0.913 365 S CB -0.138 63.250 63.200 0.314 0.000 0.800 365 S HN 1.445 nan 8.310 nan 0.000 0.505 366 F N -0.671 119.407 119.950 0.212 0.000 2.770 366 F HA 0.639 5.157 4.527 -0.015 0.000 0.313 366 F C -3.483 172.378 175.800 0.101 0.000 1.154 366 F CA -2.326 55.826 58.000 0.252 0.000 0.923 366 F CB 0.637 39.772 39.000 0.224 0.000 1.301 366 F HN -0.305 nan 8.300 nan 0.000 0.449 367 P HA 0.377 nan 4.420 nan 0.000 0.286 367 P C 0.229 177.511 177.300 -0.030 0.000 1.261 367 P CA -0.466 62.637 63.100 0.005 0.000 0.821 367 P CB 2.277 34.004 31.700 0.046 0.000 1.013 368 L N 1.166 122.196 121.223 -0.321 0.000 1.961 368 L HA -0.083 4.249 4.340 -0.014 0.000 0.210 368 L C 1.062 177.696 176.870 -0.393 0.000 1.072 368 L CA 1.654 56.193 54.840 -0.502 0.000 0.749 368 L CB -0.717 40.694 42.059 -1.079 0.000 0.889 368 L HN 0.267 nan 8.230 nan 0.000 0.432 369 F N 0.111 120.027 119.950 -0.057 0.000 2.377 369 F HA 0.226 4.745 4.527 -0.014 0.000 0.328 369 F C 0.576 176.285 175.800 -0.152 0.000 1.094 369 F CA -1.648 56.306 58.000 -0.076 0.000 1.093 369 F CB 0.356 39.290 39.000 -0.110 0.000 1.214 369 F HN 0.089 nan 8.300 nan 0.000 0.518 370 D N -0.854 119.566 120.400 0.034 0.000 2.496 370 D HA 0.169 4.801 4.640 -0.014 0.000 0.283 370 D C 1.194 177.385 176.300 -0.183 0.000 1.214 370 D CA -0.065 53.856 54.000 -0.131 0.000 1.089 370 D CB -0.364 40.361 40.800 -0.124 0.000 1.141 370 D HN 0.387 nan 8.370 nan 0.000 0.580 371 S N -1.263 114.307 115.700 -0.216 0.000 2.399 371 S HA -0.242 4.220 4.470 -0.014 0.000 0.231 371 S C 1.489 175.976 174.600 -0.188 0.000 1.022 371 S CA 1.294 59.335 58.200 -0.266 0.000 0.983 371 S CB -0.858 62.220 63.200 -0.203 0.000 0.803 371 S HN 0.678 nan 8.310 nan 0.000 0.480 372 Q N 0.295 120.020 119.800 -0.125 0.000 2.319 372 Q HA 0.504 4.836 4.340 -0.014 0.000 0.202 372 Q C 1.324 177.252 176.000 -0.119 0.000 0.896 372 Q CA 0.330 56.068 55.803 -0.109 0.000 0.942 372 Q CB 0.165 28.860 28.738 -0.072 0.000 1.083 372 Q HN 0.667 nan 8.270 nan 0.000 0.510 373 G N 1.193 109.926 108.800 -0.112 0.000 2.184 373 G HA2 -0.187 3.765 3.960 -0.014 0.000 0.206 373 G HA3 -0.187 3.765 3.960 -0.014 0.000 0.206 373 G C -0.394 174.506 174.900 -0.001 0.000 0.995 373 G CA -0.318 44.687 45.100 -0.158 0.000 0.651 373 G HN 0.277 nan 8.290 nan 0.000 0.511 374 N N 0.997 119.734 118.700 0.061 0.000 2.520 374 N HA 0.434 5.166 4.740 -0.014 0.000 0.273 374 N C 0.635 176.277 175.510 0.221 0.000 1.155 374 N CA -0.223 52.895 53.050 0.114 0.000 0.967 374 N CB 0.636 39.154 38.487 0.053 0.000 1.092 374 N HN 0.344 nan 8.380 nan 0.000 0.457 375 R N 1.284 121.933 120.500 0.248 0.000 2.583 375 R HA -0.007 4.325 4.340 -0.014 0.000 0.274 375 R C 0.268 176.631 176.300 0.106 0.000 0.998 375 R CA 0.271 56.477 56.100 0.177 0.000 1.081 375 R CB 0.047 30.435 30.300 0.146 0.000 0.940 375 R HN 0.433 nan 8.270 nan 0.000 0.413 376 N N 1.447 120.195 118.700 0.080 0.000 2.530 376 N HA 0.020 4.752 4.740 -0.014 0.000 0.273 376 N C -0.955 174.595 175.510 0.067 0.000 1.173 376 N CA 0.090 53.183 53.050 0.072 0.000 0.967 376 N CB 1.034 39.582 38.487 0.101 0.000 1.109 376 N HN 0.434 nan 8.380 nan 0.000 0.453 377 D N 1.376 121.788 120.400 0.020 0.000 2.481 377 D HA 0.435 5.067 4.640 -0.014 0.000 0.246 377 D C -1.135 175.109 176.300 -0.093 0.000 1.109 377 D CA -0.538 53.468 54.000 0.010 0.000 0.845 377 D CB 0.803 41.639 40.800 0.060 0.000 1.160 377 D HN 0.219 nan 8.370 nan 0.000 0.534 378 V N 0.597 120.399 119.914 -0.186 0.000 2.971 378 V HA 0.615 4.726 4.120 -0.014 0.000 0.309 378 V C 0.267 176.331 176.094 -0.049 0.000 1.130 378 V CA -0.991 61.152 62.300 -0.261 0.000 0.964 378 V CB 1.465 32.826 31.823 -0.769 0.000 1.029 378 V HN 0.436 nan 8.190 nan 0.000 0.427 379 S N 1.676 117.392 115.700 0.027 0.000 2.553 379 S HA 0.064 4.526 4.470 -0.014 0.000 0.293 379 S C 1.431 176.109 174.600 0.131 0.000 1.296 379 S CA 0.278 58.521 58.200 0.072 0.000 1.046 379 S CB 0.201 63.469 63.200 0.114 0.000 0.810 379 S HN 0.857 nan 8.310 nan 0.000 0.505 380 R N 1.492 121.944 120.500 -0.080 0.000 2.159 380 R HA -0.124 4.208 4.340 -0.014 0.000 0.237 380 R C 2.407 178.886 176.300 0.299 0.000 1.131 380 R CA 1.604 57.632 56.100 -0.119 0.000 0.982 380 R CB -0.423 29.582 30.300 -0.492 0.000 0.868 380 R HN 0.775 nan 8.270 nan 0.000 0.453 381 S N 0.307 116.128 115.700 0.201 0.000 2.428 381 S HA -0.105 4.357 4.470 -0.014 0.000 0.230 381 S C 0.723 175.398 174.600 0.125 0.000 1.014 381 S CA -0.028 58.243 58.200 0.118 0.000 0.957 381 S CB -0.416 62.830 63.200 0.078 0.000 0.784 381 S HN 0.187 nan 8.310 nan 0.000 0.499 382 F N 3.949 123.943 119.950 0.073 0.000 2.623 382 F HA 0.185 4.705 4.527 -0.011 0.000 0.386 382 F C 0.446 176.336 175.800 0.150 0.000 1.068 382 F CA 0.442 58.496 58.000 0.090 0.000 1.265 382 F CB 0.202 39.198 39.000 -0.007 0.000 1.026 382 F HN 0.236 nan 8.300 nan 0.000 0.568 383 N N 4.527 123.166 118.700 -0.101 0.000 2.549 383 N HA 0.127 4.859 4.740 -0.014 0.000 0.281 383 N C -0.064 175.529 175.510 0.137 0.000 1.084 383 N CA -0.774 52.273 53.050 -0.004 0.000 0.862 383 N CB 0.515 38.804 38.487 -0.330 0.000 1.333 383 N HN 0.520 nan 8.380 nan 0.000 0.523 384 N N 1.932 120.815 118.700 0.306 0.000 2.550 384 N HA 0.032 4.764 4.740 -0.014 0.000 0.186 384 N C 0.598 176.391 175.510 0.472 0.000 1.110 384 N CA 0.163 53.411 53.050 0.331 0.000 0.912 384 N CB -0.318 38.370 38.487 0.334 0.000 0.968 384 N HN 0.497 nan 8.380 nan 0.000 0.448 385 G N -0.155 108.874 108.800 0.381 0.000 2.544 385 G HA2 0.470 4.421 3.960 -0.014 0.000 0.242 385 G HA3 0.470 4.421 3.960 -0.014 0.000 0.242 385 G C -0.130 174.987 174.900 0.362 0.000 1.247 385 G CA 0.014 45.294 45.100 0.299 0.000 0.840 385 G HN 0.486 nan 8.290 nan 0.000 0.578 386 A N 1.512 124.359 122.820 0.045 0.000 2.498 386 A HA 0.236 4.548 4.320 -0.014 0.000 0.239 386 A C 1.679 179.021 177.584 -0.402 0.000 1.068 386 A CA 0.142 51.962 52.037 -0.361 0.000 0.766 386 A CB 0.276 18.496 19.000 -1.301 0.000 1.003 386 A HN 0.833 nan 8.150 nan 0.000 0.497 387 K N 1.297 121.464 120.400 -0.388 0.000 2.127 387 K HA -0.207 4.105 4.320 -0.014 0.000 0.212 387 K C 1.411 177.963 176.600 -0.079 0.000 1.050 387 K CA 2.554 58.728 56.287 -0.189 0.000 0.929 387 K CB -0.202 32.193 32.500 -0.174 0.000 0.715 387 K HN 1.014 nan 8.250 nan 0.000 0.457 388 W N -0.090 121.266 121.300 0.092 0.000 3.197 388 W HA 0.253 4.927 4.660 0.023 0.000 0.274 388 W C 0.321 176.938 176.519 0.163 0.000 1.297 388 W CA -0.503 56.907 57.345 0.109 0.000 1.662 388 W CB -0.520 29.004 29.460 0.108 0.000 1.106 388 W HN -0.164 nan 8.180 nan 0.000 0.663 389 S N 2.234 117.846 115.700 -0.148 0.000 2.516 389 S HA 0.216 4.677 4.470 -0.014 0.000 0.282 389 S C -0.158 174.579 174.600 0.230 0.000 1.286 389 S CA 0.240 58.470 58.200 0.049 0.000 1.066 389 S CB 0.719 63.811 63.200 -0.180 0.000 0.884 389 S HN 0.183 nan 8.310 nan 0.000 0.491 390 S N 4.990 120.897 115.700 0.345 0.000 2.557 390 S HA 0.549 5.011 4.470 -0.014 0.000 0.291 390 S C -1.573 173.270 174.600 0.405 0.000 1.116 390 S CA -0.640 57.754 58.200 0.323 0.000 0.992 390 S CB 0.806 64.192 63.200 0.310 0.000 1.028 390 S HN 0.834 nan 8.310 nan 0.000 0.484 391 W N 6.603 128.001 121.300 0.162 0.000 2.149 391 W HA 0.402 5.052 4.660 -0.017 0.000 0.291 391 W C -0.241 176.363 176.519 0.142 0.000 0.875 391 W CA -1.505 55.922 57.345 0.137 0.000 1.885 391 W CB -0.198 29.309 29.460 0.077 0.000 2.062 391 W HN 0.801 nan 8.180 nan 0.000 0.391 392 E N 2.279 122.737 120.200 0.431 0.000 2.373 392 E HA 0.280 4.622 4.350 -0.014 0.000 0.267 392 E C -0.795 175.984 176.600 0.298 0.000 1.032 392 E CA 0.410 56.979 56.400 0.282 0.000 0.889 392 E CB 0.943 30.811 29.700 0.280 0.000 0.984 392 E HN 0.453 nan 8.360 nan 0.000 0.425 393 Q N 2.635 122.516 119.800 0.135 0.000 2.289 393 Q HA 0.357 4.689 4.340 -0.014 0.000 0.270 393 Q C -1.412 174.628 176.000 0.065 0.000 1.038 393 Q CA -0.976 54.867 55.803 0.068 0.000 0.812 393 Q CB 1.596 30.239 28.738 -0.158 0.000 1.300 393 Q HN 0.757 nan 8.270 nan 0.000 0.427 394 Y N -1.286 118.999 120.300 -0.025 0.000 2.633 394 Y HA 0.920 5.461 4.550 -0.014 0.000 0.339 394 Y C -0.697 175.118 175.900 -0.143 0.000 1.045 394 Y CA -0.941 57.089 58.100 -0.117 0.000 1.098 394 Y CB 1.982 40.370 38.460 -0.120 0.000 1.296 394 Y HN 0.575 nan 8.280 nan 0.000 0.494 395 T N -0.094 114.425 114.554 -0.059 0.000 3.012 395 T HA 0.761 5.103 4.350 -0.014 0.000 0.330 395 T C -1.383 173.272 174.700 -0.075 0.000 1.321 395 T CA -1.167 60.857 62.100 -0.126 0.000 1.067 395 T CB 1.905 70.667 68.868 -0.176 0.000 1.235 395 T HN 1.251 nan 8.240 nan 0.000 0.479 396 R N 0.013 120.517 120.500 0.007 0.000 2.663 396 R HA 0.819 5.151 4.340 -0.014 0.000 0.267 396 R C -1.679 174.688 176.300 0.111 0.000 1.038 396 R CA -1.027 55.136 56.100 0.105 0.000 0.886 396 R CB 1.509 31.957 30.300 0.247 0.000 1.249 396 R HN 0.601 nan 8.270 nan 0.000 0.463 397 T N 1.020 115.685 114.554 0.185 0.000 2.921 397 T HA 0.461 4.803 4.350 -0.014 0.000 0.297 397 T C -1.071 173.812 174.700 0.305 0.000 1.013 397 T CA -0.762 61.478 62.100 0.233 0.000 0.990 397 T CB 1.984 71.013 68.868 0.270 0.000 1.023 397 T HN 0.345 nan 8.240 nan 0.000 0.447 398 V N 4.567 124.667 119.914 0.311 0.000 2.409 398 V HA 0.779 4.891 4.120 -0.014 0.000 0.291 398 V C -0.723 175.543 176.094 0.286 0.000 1.020 398 V CA -0.876 61.552 62.300 0.213 0.000 0.848 398 V CB 0.641 32.558 31.823 0.157 0.000 0.990 398 V HN 0.887 nan 8.190 nan 0.000 0.430 399 F N 2.525 122.567 119.950 0.153 0.000 2.640 399 F HA 1.045 5.564 4.527 -0.014 0.000 0.324 399 F C -0.307 175.572 175.800 0.131 0.000 1.077 399 F CA -1.282 56.806 58.000 0.147 0.000 0.965 399 F CB 1.970 41.063 39.000 0.154 0.000 1.351 399 F HN 0.642 nan 8.300 nan 0.000 0.487 400 A N 1.500 124.519 122.820 0.332 0.000 2.566 400 A HA 0.732 5.044 4.320 -0.014 0.000 0.297 400 A C -2.019 175.731 177.584 0.275 0.000 1.059 400 A CA -0.943 51.220 52.037 0.209 0.000 0.691 400 A CB 1.358 20.419 19.000 0.102 0.000 1.282 400 A HN 0.957 nan 8.150 nan 0.000 0.401 401 N N -0.088 118.757 118.700 0.241 0.000 2.242 401 N HA 0.675 5.407 4.740 -0.014 0.000 0.292 401 N C -1.520 174.081 175.510 0.152 0.000 1.125 401 N CA -0.645 52.529 53.050 0.207 0.000 0.783 401 N CB 2.544 41.172 38.487 0.234 0.000 1.558 401 N HN 0.548 nan 8.380 nan 0.000 0.472 402 L N 0.685 121.980 121.223 0.119 0.000 2.386 402 L HA 0.524 4.856 4.340 -0.014 0.000 0.271 402 L C -1.117 175.809 176.870 0.093 0.000 0.993 402 L CA -0.283 54.616 54.840 0.099 0.000 0.819 402 L CB 1.780 43.881 42.059 0.070 0.000 1.294 402 L HN 0.677 nan 8.230 nan 0.000 0.414 403 E N 2.975 123.236 120.200 0.102 0.000 2.256 403 E HA 0.407 4.749 4.350 -0.014 0.000 0.268 403 E C -1.877 174.793 176.600 0.117 0.000 0.877 403 E CA -0.696 55.762 56.400 0.096 0.000 0.757 403 E CB 1.357 31.111 29.700 0.091 0.000 1.183 403 E HN 0.799 nan 8.360 nan 0.000 0.418 404 H N 2.749 121.808 119.070 -0.018 0.000 2.771 404 H HA 0.436 4.984 4.556 -0.014 0.000 0.361 404 H C -1.413 173.839 175.328 -0.127 0.000 1.108 404 H CA -0.754 55.220 56.048 -0.123 0.000 1.201 404 H CB 1.130 30.731 29.762 -0.269 0.000 1.681 404 H HN 0.353 nan 8.280 nan 0.000 0.534 405 N N 4.139 122.362 118.700 -0.794 0.000 2.422 405 N HA 0.210 4.942 4.740 -0.014 0.000 0.266 405 N C -1.254 173.897 175.510 -0.597 0.000 1.007 405 N CA -0.177 52.615 53.050 -0.430 0.000 0.941 405 N CB 0.455 38.821 38.487 -0.202 0.000 1.115 405 N HN 0.333 nan 8.380 nan 0.000 0.492 406 F N 0.598 120.520 119.950 -0.047 0.000 2.422 406 F HA 0.407 4.926 4.527 -0.014 0.000 0.333 406 F C 1.656 177.519 175.800 0.105 0.000 1.095 406 F CA -0.862 57.192 58.000 0.091 0.000 1.038 406 F CB 1.186 40.308 39.000 0.203 0.000 1.156 406 F HN 0.522 nan 8.300 nan 0.000 0.483 407 A N 2.752 125.731 122.820 0.265 0.000 1.909 407 A HA -0.367 3.945 4.320 -0.014 0.000 0.221 407 A C 2.013 179.724 177.584 0.212 0.000 1.223 407 A CA 2.659 54.806 52.037 0.183 0.000 0.658 407 A CB -1.442 17.648 19.000 0.150 0.000 0.831 407 A HN 1.008 nan 8.150 nan 0.000 0.462 408 N N -1.537 117.310 118.700 0.245 0.000 2.369 408 N HA -0.346 4.386 4.740 -0.014 0.000 0.190 408 N C 1.217 176.952 175.510 0.376 0.000 0.836 408 N CA 1.738 54.972 53.050 0.307 0.000 0.950 408 N CB -0.383 38.303 38.487 0.331 0.000 1.046 408 N HN 1.123 nan 8.380 nan 0.000 0.869 409 G N -1.409 107.591 108.800 0.334 0.000 2.184 409 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.264 409 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.264 409 G C -0.225 174.847 174.900 0.287 0.000 0.975 409 G CA 0.405 45.680 45.100 0.292 0.000 0.642 409 G HN 0.352 nan 8.290 nan 0.000 0.536 410 W N -0.599 120.803 121.300 0.170 0.000 2.170 410 W HA 0.579 5.231 4.660 -0.014 0.000 0.336 410 W C 0.474 177.174 176.519 0.301 0.000 1.283 410 W CA 0.329 57.771 57.345 0.161 0.000 1.224 410 W CB 1.182 30.664 29.460 0.037 0.000 1.132 410 W HN 0.439 nan 8.180 nan 0.000 0.571 411 V N 3.373 123.530 119.914 0.405 0.000 2.789 411 V HA 0.942 5.054 4.120 -0.014 0.000 0.311 411 V C -0.375 175.943 176.094 0.373 0.000 1.073 411 V CA -0.724 61.820 62.300 0.407 0.000 0.921 411 V CB 1.677 33.618 31.823 0.196 0.000 1.009 411 V HN 0.598 nan 8.190 nan 0.000 0.426 412 G N 3.689 112.757 108.800 0.448 0.000 2.482 412 G HA2 0.705 4.657 3.960 -0.014 0.000 0.317 412 G HA3 0.705 4.657 3.960 -0.014 0.000 0.317 412 G C -1.477 173.439 174.900 0.025 0.000 1.241 412 G CA -0.776 44.491 45.100 0.279 0.000 0.967 412 G HN 0.900 nan 8.290 nan 0.000 0.482 413 K N 0.917 121.182 120.400 -0.226 0.000 2.535 413 K HA 0.537 4.848 4.320 -0.014 0.000 0.251 413 K C -1.544 174.985 176.600 -0.119 0.000 0.942 413 K CA -0.574 55.587 56.287 -0.211 0.000 0.798 413 K CB 2.649 34.916 32.500 -0.388 0.000 1.267 413 K HN 0.318 nan 8.250 nan 0.000 0.434 414 V N 4.038 123.961 119.914 0.016 0.000 2.417 414 V HA 0.369 4.481 4.120 -0.014 0.000 0.291 414 V C -0.746 175.418 176.094 0.116 0.000 1.024 414 V CA -0.686 61.656 62.300 0.071 0.000 0.861 414 V CB 1.582 33.450 31.823 0.074 0.000 0.985 414 V HN 0.754 nan 8.190 nan 0.000 0.436 415 Q N 4.389 124.279 119.800 0.150 0.000 2.325 415 Q HA 0.628 4.960 4.340 -0.014 0.000 0.270 415 Q C -1.305 174.806 176.000 0.185 0.000 1.020 415 Q CA -0.440 55.472 55.803 0.182 0.000 0.785 415 Q CB 2.680 31.534 28.738 0.194 0.000 1.259 415 Q HN 0.622 nan 8.270 nan 0.000 0.452 416 L N 2.542 123.886 121.223 0.203 0.000 2.296 416 L HA 0.484 4.816 4.340 -0.014 0.000 0.286 416 L C -0.939 176.084 176.870 0.255 0.000 1.023 416 L CA -0.377 54.584 54.840 0.202 0.000 0.812 416 L CB 1.483 43.643 42.059 0.169 0.000 1.223 416 L HN 0.569 nan 8.230 nan 0.000 0.421 417 D N 0.125 120.670 120.400 0.241 0.000 2.787 417 D HA 0.326 4.958 4.640 -0.014 0.000 0.246 417 D C -1.281 175.183 176.300 0.273 0.000 1.150 417 D CA -0.390 53.770 54.000 0.268 0.000 0.864 417 D CB 1.543 42.466 40.800 0.205 0.000 1.481 417 D HN 0.375 nan 8.370 nan 0.000 0.509 418 H N 1.423 120.599 119.070 0.178 0.000 2.539 418 H HA 0.516 5.063 4.556 -0.014 0.000 0.332 418 H C -1.183 174.230 175.328 0.141 0.000 1.031 418 H CA -0.705 55.430 56.048 0.145 0.000 1.206 418 H CB 0.843 30.678 29.762 0.123 0.000 1.446 418 H HN 0.163 nan 8.280 nan 0.000 0.496 419 K N 5.746 125.996 120.400 -0.251 0.000 2.427 419 K HA 0.472 4.784 4.320 -0.014 0.000 0.252 419 K C -1.569 174.915 176.600 -0.195 0.000 0.931 419 K CA -0.707 55.494 56.287 -0.143 0.000 0.793 419 K CB 1.297 33.765 32.500 -0.052 0.000 1.211 419 K HN 0.609 nan 8.250 nan 0.000 0.426 420 I N 3.247 123.754 120.570 -0.106 0.000 2.406 420 I HA 0.271 4.433 4.170 -0.014 0.000 0.290 420 I C -0.953 175.085 176.117 -0.132 0.000 0.999 420 I CA -0.984 60.271 61.300 -0.075 0.000 1.124 420 I CB 1.948 39.977 38.000 0.049 0.000 1.289 420 I HN 0.604 nan 8.210 nan 0.000 0.441 421 N N 4.023 122.613 118.700 -0.183 0.000 2.476 421 N HA 0.587 5.319 4.740 -0.014 0.000 0.257 421 N C -0.376 174.863 175.510 -0.451 0.000 0.970 421 N CA -0.282 52.594 53.050 -0.290 0.000 0.938 421 N CB 1.893 40.268 38.487 -0.186 0.000 1.144 421 N HN 0.746 nan 8.380 nan 0.000 0.500 422 G N 0.971 109.184 108.800 -0.979 0.000 2.481 422 G HA2 0.587 4.538 3.960 -0.014 0.000 0.315 422 G HA3 0.587 4.538 3.960 -0.014 0.000 0.315 422 G C -1.481 173.073 174.900 -0.577 0.000 1.231 422 G CA -0.482 43.940 45.100 -1.130 0.000 0.968 422 G HN 0.477 nan 8.290 nan 0.000 0.482 423 Y N -1.153 119.065 120.300 -0.135 0.000 2.576 423 Y HA 0.794 5.336 4.550 -0.014 0.000 0.346 423 Y C -0.794 175.279 175.900 0.288 0.000 1.018 423 Y CA -1.772 56.413 58.100 0.142 0.000 1.050 423 Y CB 1.982 40.578 38.460 0.228 0.000 1.280 423 Y HN 0.684 nan 8.280 nan 0.000 0.474 424 H N 1.335 120.631 119.070 0.376 0.000 3.108 424 H HA 0.748 5.287 4.556 -0.029 0.000 0.301 424 H C -1.705 173.798 175.328 0.291 0.000 1.139 424 H CA -0.506 55.684 56.048 0.237 0.000 1.552 424 H CB 0.826 30.688 29.762 0.167 0.000 1.663 424 H HN 1.058 nan 8.280 nan 0.000 0.517 425 A N 6.271 129.153 122.820 0.104 0.000 2.938 425 A HA 0.343 4.655 4.320 -0.014 0.000 0.344 425 A C -2.847 174.676 177.584 -0.101 0.000 1.142 425 A CA -1.535 50.559 52.037 0.096 0.000 0.841 425 A CB 0.262 19.226 19.000 -0.059 0.000 1.083 425 A HN 0.491 nan 8.150 nan 0.000 0.479 426 P HA 0.314 nan 4.420 nan 0.000 0.266 426 P C -0.539 176.985 177.300 0.373 0.000 1.586 426 P CA 0.200 63.216 63.100 -0.141 0.000 1.088 426 P CB 0.510 32.193 31.700 -0.028 0.000 1.584 427 L N 2.636 124.064 121.223 0.340 0.000 2.360 427 L HA 0.845 5.177 4.340 -0.014 0.000 0.271 427 L C 0.968 178.226 176.870 0.647 0.000 1.057 427 L CA -0.369 54.745 54.840 0.457 0.000 0.803 427 L CB 1.619 43.884 42.059 0.343 0.000 1.207 427 L HN 0.371 nan 8.230 nan 0.000 0.445 428 G N 0.968 109.959 108.800 0.318 0.000 2.659 428 G HA2 0.678 4.630 3.960 -0.014 0.000 0.291 428 G HA3 0.678 4.630 3.960 -0.014 0.000 0.291 428 G C -1.590 173.364 174.900 0.090 0.000 1.379 428 G CA 0.158 45.421 45.100 0.271 0.000 1.254 428 G HN 0.850 nan 8.290 nan 0.000 0.590 429 A N 1.690 124.607 122.820 0.162 0.000 2.568 429 A HA 0.858 5.169 4.320 -0.014 0.000 0.291 429 A C -1.292 176.297 177.584 0.009 0.000 1.159 429 A CA -0.761 51.351 52.037 0.125 0.000 0.679 429 A CB 0.808 19.912 19.000 0.172 0.000 1.285 429 A HN 0.807 nan 8.150 nan 0.000 0.428 430 I N 1.751 122.275 120.570 -0.076 0.000 2.325 430 I HA 0.442 4.604 4.170 -0.014 0.000 0.291 430 I C 0.343 176.490 176.117 0.051 0.000 1.019 430 I CA 0.232 61.466 61.300 -0.109 0.000 1.302 430 I CB 0.749 38.611 38.000 -0.229 0.000 1.401 430 I HN 0.757 nan 8.210 nan 0.000 0.485 431 M N 5.111 124.752 119.600 0.069 0.000 2.716 431 M HA 0.919 5.391 4.480 -0.014 0.000 0.278 431 M C -0.179 176.263 176.300 0.237 0.000 1.281 431 M CA -0.469 54.887 55.300 0.093 0.000 0.814 431 M CB 2.164 34.702 32.600 -0.104 0.000 1.719 431 M HN 0.635 nan 8.290 nan 0.000 0.457 432 G N 0.865 109.700 108.800 0.058 0.000 2.566 432 G HA2 -0.078 3.874 3.960 -0.014 0.000 0.599 432 G HA3 -0.078 3.874 3.960 -0.014 0.000 0.599 432 G C -1.696 172.958 174.900 -0.411 0.000 1.292 432 G CA -0.506 44.515 45.100 -0.133 0.000 0.922 432 G HN 0.871 nan 8.290 nan 0.000 0.514 433 D N 0.957 120.876 120.400 -0.802 0.000 2.494 433 D HA 0.443 5.075 4.640 -0.014 0.000 0.217 433 D C -0.307 175.365 176.300 -1.047 0.000 1.153 433 D CA 0.565 54.160 54.000 -0.674 0.000 0.954 433 D CB -0.101 40.407 40.800 -0.486 0.000 1.034 433 D HN 0.381 nan 8.370 nan 0.000 0.518 434 W N 1.909 123.083 121.300 -0.211 0.000 2.902 434 W HA 0.362 5.015 4.660 -0.011 0.000 0.346 434 W C -2.006 174.062 176.519 -0.752 0.000 1.139 434 W CA -1.982 55.137 57.345 -0.376 0.000 1.139 434 W CB 0.762 30.034 29.460 -0.314 0.000 1.439 434 W HN -0.009 nan 8.180 nan 0.000 0.558 435 P HA 0.330 nan 4.420 nan 0.000 0.277 435 P C -0.748 176.573 177.300 0.035 0.000 1.276 435 P CA -0.021 62.896 63.100 -0.305 0.000 0.788 435 P CB 0.831 32.281 31.700 -0.417 0.000 1.114 436 A N 0.068 122.999 122.820 0.185 0.000 2.282 436 A HA 0.568 4.880 4.320 -0.014 0.000 0.324 436 A C -1.750 175.877 177.584 0.073 0.000 1.119 436 A CA -1.709 50.422 52.037 0.156 0.000 0.880 436 A CB -0.388 18.788 19.000 0.294 0.000 1.294 436 A HN 0.261 nan 8.150 nan 0.000 0.493 437 P HA -0.147 nan 4.420 nan 0.000 0.219 437 P C 0.311 177.639 177.300 0.046 0.000 1.146 437 P CA 1.765 64.886 63.100 0.034 0.000 0.808 437 P CB 0.029 31.742 31.700 0.022 0.000 0.779 438 D N -2.546 117.887 120.400 0.056 0.000 2.328 438 D HA -0.039 4.593 4.640 -0.014 0.000 0.221 438 D C 0.601 176.942 176.300 0.069 0.000 1.072 438 D CA -0.274 53.758 54.000 0.054 0.000 0.850 438 D CB -1.203 39.624 40.800 0.045 0.000 0.922 438 D HN 0.084 nan 8.370 nan 0.000 0.516 439 N N -0.763 117.989 118.700 0.086 0.000 2.967 439 N HA -0.182 4.550 4.740 -0.014 0.000 0.241 439 N C -0.769 174.819 175.510 0.130 0.000 0.983 439 N CA 0.727 53.853 53.050 0.126 0.000 0.918 439 N CB -1.246 37.321 38.487 0.134 0.000 1.109 439 N HN 0.451 nan 8.380 nan 0.000 0.567 440 S N -0.272 115.469 115.700 0.068 0.000 2.722 440 S HA 0.937 5.399 4.470 -0.014 0.000 0.292 440 S C 0.039 174.547 174.600 -0.155 0.000 1.135 440 S CA 0.147 58.334 58.200 -0.021 0.000 1.003 440 S CB 2.845 66.007 63.200 -0.063 0.000 1.067 440 S HN 0.580 nan 8.310 nan 0.000 0.546 441 A N 0.604 123.172 122.820 -0.420 0.000 2.602 441 A HA 0.787 5.098 4.320 -0.014 0.000 0.290 441 A C -1.434 175.458 177.584 -1.154 0.000 1.114 441 A CA -1.026 50.455 52.037 -0.927 0.000 0.683 441 A CB 1.256 20.035 19.000 -0.367 0.000 1.281 441 A HN 0.765 nan 8.150 nan 0.000 0.416 442 K N 0.672 120.116 120.400 -1.594 0.000 2.316 442 K HA 0.560 4.872 4.320 -0.014 0.000 0.251 442 K C -1.231 175.132 176.600 -0.395 0.000 0.934 442 K CA -0.822 54.988 56.287 -0.795 0.000 0.802 442 K CB 1.849 33.997 32.500 -0.586 0.000 1.171 442 K HN 0.484 nan 8.250 nan 0.000 0.426 443 I N 2.743 123.186 120.570 -0.212 0.000 2.365 443 I HA 0.189 4.350 4.170 -0.014 0.000 0.291 443 I C 0.185 176.339 176.117 0.061 0.000 1.004 443 I CA -0.835 60.442 61.300 -0.038 0.000 1.311 443 I CB 1.089 39.160 38.000 0.118 0.000 1.401 443 I HN 0.234 nan 8.210 nan 0.000 0.491 444 V N 5.573 125.526 119.914 0.066 0.000 2.394 444 V HA 0.737 4.849 4.120 -0.014 0.000 0.282 444 V C 0.300 176.531 176.094 0.229 0.000 1.031 444 V CA -0.614 61.743 62.300 0.094 0.000 0.881 444 V CB 1.357 33.131 31.823 -0.082 0.000 0.982 444 V HN 0.894 nan 8.190 nan 0.000 0.451 445 A N 5.196 128.231 122.820 0.359 0.000 2.411 445 A HA 0.805 5.117 4.320 -0.014 0.000 0.285 445 A C -0.639 177.275 177.584 0.551 0.000 1.129 445 A CA -0.581 51.780 52.037 0.540 0.000 0.736 445 A CB 1.112 20.458 19.000 0.576 0.000 1.186 445 A HN 0.809 nan 8.150 nan 0.000 0.445 446 Q N 0.672 120.788 119.800 0.526 0.000 2.528 446 Q HA 0.693 5.025 4.340 -0.014 0.000 0.289 446 Q C -0.863 175.033 176.000 -0.174 0.000 1.091 446 Q CA -0.953 55.026 55.803 0.294 0.000 0.797 446 Q CB 2.721 31.587 28.738 0.212 0.000 1.466 446 Q HN 0.634 nan 8.270 nan 0.000 0.436 447 K N 1.058 121.058 120.400 -0.667 0.000 2.541 447 K HA 0.450 4.762 4.320 -0.014 0.000 0.250 447 K C -1.971 174.167 176.600 -0.770 0.000 0.950 447 K CA -0.416 55.307 56.287 -0.941 0.000 0.805 447 K CB 1.010 32.473 32.500 -1.727 0.000 1.166 447 K HN 0.548 nan 8.250 nan 0.000 0.430 448 Y N 1.795 121.991 120.300 -0.174 0.000 2.331 448 Y HA 0.299 4.844 4.550 -0.008 0.000 0.334 448 Y C 0.308 176.267 175.900 0.097 0.000 0.960 448 Y CA -0.760 57.352 58.100 0.020 0.000 1.130 448 Y CB 2.205 40.670 38.460 0.008 0.000 1.164 448 Y HN 0.596 nan 8.280 nan 0.000 0.458 449 T N -0.019 114.638 114.554 0.172 0.000 2.918 449 T HA 0.971 5.313 4.350 -0.014 0.000 0.286 449 T C -0.003 174.570 174.700 -0.212 0.000 1.026 449 T CA -0.508 61.561 62.100 -0.052 0.000 1.031 449 T CB 1.919 70.715 68.868 -0.120 0.000 1.046 449 T HN 1.015 nan 8.240 nan 0.000 0.479 450 G N 0.406 108.707 108.800 -0.832 0.000 2.451 450 G HA2 0.541 4.493 3.960 -0.014 0.000 0.292 450 G HA3 0.541 4.493 3.960 -0.014 0.000 0.292 450 G C -2.074 172.523 174.900 -0.505 0.000 1.427 450 G CA -0.817 43.944 45.100 -0.565 0.000 0.792 450 G HN 0.936 nan 8.290 nan 0.000 0.498 451 E N -1.008 119.122 120.200 -0.115 0.000 2.343 451 E HA 0.639 4.980 4.350 -0.014 0.000 0.278 451 E C -1.422 175.199 176.600 0.034 0.000 0.910 451 E CA -0.611 55.745 56.400 -0.073 0.000 0.757 451 E CB 2.225 31.932 29.700 0.012 0.000 1.218 451 E HN 0.424 nan 8.360 nan 0.000 0.435 452 T N 3.452 117.985 114.554 -0.035 0.000 2.812 452 T HA 0.414 4.756 4.350 -0.014 0.000 0.282 452 T C -0.855 173.852 174.700 0.011 0.000 0.990 452 T CA -0.842 61.264 62.100 0.010 0.000 0.960 452 T CB 1.154 69.991 68.868 -0.052 0.000 0.948 452 T HN 0.239 nan 8.240 nan 0.000 0.438 453 K N 1.970 122.405 120.400 0.059 0.000 2.206 453 K HA 0.686 4.998 4.320 -0.014 0.000 0.264 453 K C -0.470 176.173 176.600 0.072 0.000 0.967 453 K CA -0.676 55.621 56.287 0.018 0.000 0.844 453 K CB 1.771 34.319 32.500 0.080 0.000 1.099 453 K HN 0.403 nan 8.250 nan 0.000 0.441 454 S N 1.686 117.372 115.700 -0.024 0.000 2.513 454 S HA 0.399 4.861 4.470 -0.014 0.000 0.299 454 S C -1.026 173.628 174.600 0.090 0.000 1.087 454 S CA -0.877 57.370 58.200 0.079 0.000 1.012 454 S CB 1.069 64.316 63.200 0.078 0.000 1.044 454 S HN 0.561 nan 8.310 nan 0.000 0.485 455 N N 0.622 119.444 118.700 0.204 0.000 2.296 455 N HA 0.556 5.288 4.740 -0.014 0.000 0.294 455 N C -1.614 174.057 175.510 0.267 0.000 1.033 455 N CA -0.521 52.674 53.050 0.241 0.000 0.839 455 N CB 1.880 40.513 38.487 0.244 0.000 1.395 455 N HN 0.347 nan 8.380 nan 0.000 0.479 456 S N 1.517 117.353 115.700 0.227 0.000 2.532 456 S HA 0.505 4.967 4.470 -0.014 0.000 0.299 456 S C -1.296 173.426 174.600 0.205 0.000 1.105 456 S CA -0.604 57.721 58.200 0.209 0.000 1.018 456 S CB 1.314 64.614 63.200 0.167 0.000 1.021 456 S HN 0.437 nan 8.310 nan 0.000 0.483 457 L N 2.827 124.173 121.223 0.205 0.000 2.341 457 L HA 0.720 5.051 4.340 -0.014 0.000 0.278 457 L C -1.179 175.794 176.870 0.172 0.000 1.005 457 L CA 0.008 54.957 54.840 0.181 0.000 0.818 457 L CB 1.424 43.589 42.059 0.177 0.000 1.259 457 L HN 0.619 nan 8.230 nan 0.000 0.418 458 D N 5.219 125.725 120.400 0.177 0.000 2.896 458 D HA 0.379 5.010 4.640 -0.014 0.000 0.241 458 D C -1.473 174.948 176.300 0.203 0.000 1.188 458 D CA -0.320 53.801 54.000 0.201 0.000 0.879 458 D CB 2.227 43.167 40.800 0.234 0.000 1.553 458 D HN 0.704 nan 8.370 nan 0.000 0.515 459 I N 3.000 123.680 120.570 0.184 0.000 2.545 459 I HA 0.683 4.845 4.170 -0.014 0.000 0.292 459 I C -1.961 174.274 176.117 0.196 0.000 1.040 459 I CA -0.673 60.714 61.300 0.145 0.000 1.068 459 I CB 1.774 39.824 38.000 0.082 0.000 1.251 459 I HN 0.354 nan 8.210 nan 0.000 0.424 460 Y N 4.773 125.130 120.300 0.094 0.000 2.571 460 Y HA 0.775 5.317 4.550 -0.014 0.000 0.341 460 Y C -2.286 173.688 175.900 0.123 0.000 1.076 460 Y CA -1.376 56.769 58.100 0.075 0.000 1.029 460 Y CB 1.389 39.929 38.460 0.133 0.000 1.308 460 Y HN 0.643 nan 8.280 nan 0.000 0.461 461 L N 2.574 123.964 121.223 0.278 0.000 2.385 461 L HA 0.690 5.021 4.340 -0.014 0.000 0.273 461 L C -0.757 176.299 176.870 0.311 0.000 0.990 461 L CA -0.529 54.472 54.840 0.267 0.000 0.821 461 L CB 2.418 44.629 42.059 0.253 0.000 1.279 461 L HN 0.970 nan 8.230 nan 0.000 0.412 462 T N 2.312 116.977 114.554 0.184 0.000 2.886 462 T HA 0.864 5.206 4.350 -0.014 0.000 0.292 462 T C -0.569 173.691 174.700 -0.732 0.000 1.012 462 T CA -0.283 61.729 62.100 -0.147 0.000 0.982 462 T CB 1.539 70.457 68.868 0.082 0.000 1.018 462 T HN 0.821 nan 8.240 nan 0.000 0.451 463 G N 4.149 112.041 108.800 -1.514 0.000 2.523 463 G HA2 0.669 4.620 3.960 -0.014 0.000 0.291 463 G HA3 0.669 4.620 3.960 -0.014 0.000 0.291 463 G C -3.473 170.787 174.900 -1.066 0.000 1.450 463 G CA -0.933 42.917 45.100 -2.084 0.000 0.790 463 G HN 0.551 nan 8.290 nan 0.000 0.496 464 P HA 0.770 nan 4.420 nan 0.000 0.283 464 P C -1.288 176.285 177.300 0.455 0.000 1.271 464 P CA -0.704 62.401 63.100 0.009 0.000 0.841 464 P CB 1.383 33.074 31.700 -0.015 0.000 1.122 465 F N -2.825 117.240 119.950 0.191 0.000 2.688 465 F HA 0.431 4.950 4.527 -0.014 0.000 0.308 465 F C -1.317 174.648 175.800 0.275 0.000 1.117 465 F CA -1.074 57.086 58.000 0.268 0.000 0.976 465 F CB 0.991 40.174 39.000 0.304 0.000 1.291 465 F HN 0.169 nan 8.300 nan 0.000 0.439 466 Q N 2.221 122.203 119.800 0.305 0.000 2.259 466 Q HA 0.371 4.703 4.340 -0.014 0.000 0.246 466 Q C -1.249 175.046 176.000 0.493 0.000 0.920 466 Q CA -0.341 55.612 55.803 0.250 0.000 0.895 466 Q CB 1.645 30.510 28.738 0.212 0.000 1.220 466 Q HN 0.854 nan 8.270 nan 0.000 0.439 467 F N 2.267 122.402 119.950 0.309 0.000 1.941 467 F HA 0.268 4.787 4.527 -0.013 0.000 0.230 467 F C -0.082 175.839 175.800 0.202 0.000 1.181 467 F CA 0.085 58.260 58.000 0.292 0.000 1.294 467 F CB 0.371 39.528 39.000 0.261 0.000 1.748 467 F HN 0.440 nan 8.300 nan 0.000 0.419 468 L N 1.419 122.613 121.223 -0.047 0.000 2.956 468 L HA 0.388 4.720 4.340 -0.014 0.000 0.232 468 L C 0.809 177.647 176.870 -0.052 0.000 1.291 468 L CA 0.148 54.829 54.840 -0.265 0.000 1.122 468 L CB 0.027 41.813 42.059 -0.456 0.000 1.461 468 L HN 0.657 nan 8.230 nan 0.000 0.470 469 G N 0.836 109.646 108.800 0.018 0.000 2.225 469 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.267 469 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.267 469 G C 0.265 175.172 174.900 0.012 0.000 1.024 469 G CA 0.215 45.328 45.100 0.022 0.000 0.784 469 G HN 0.522 nan 8.290 nan 0.000 0.507 470 R N -0.846 119.669 120.500 0.025 0.000 2.888 470 R HA 0.617 4.949 4.340 -0.014 0.000 0.264 470 R C -0.909 175.191 176.300 -0.332 0.000 1.045 470 R CA -1.091 54.937 56.100 -0.120 0.000 0.962 470 R CB 1.313 31.532 30.300 -0.135 0.000 1.210 470 R HN 0.138 nan 8.270 nan 0.000 0.479 471 E N 2.569 122.505 120.200 -0.440 0.000 2.146 471 E HA 0.251 4.593 4.350 -0.014 0.000 0.282 471 E C -0.542 175.609 176.600 -0.747 0.000 0.989 471 E CA -0.257 55.852 56.400 -0.486 0.000 0.799 471 E CB 1.201 30.763 29.700 -0.229 0.000 1.088 471 E HN 0.433 nan 8.360 nan 0.000 0.397 472 H N 1.049 119.871 119.070 -0.414 0.000 2.710 472 H HA 0.409 4.957 4.556 -0.014 0.000 0.361 472 H C 0.070 175.075 175.328 -0.538 0.000 1.175 472 H CA -0.767 54.930 56.048 -0.585 0.000 1.206 472 H CB 1.983 31.176 29.762 -0.949 0.000 1.750 472 H HN 0.504 nan 8.280 nan 0.000 0.553 473 E N 0.984 121.040 120.200 -0.240 0.000 2.312 473 E HA 0.574 4.916 4.350 -0.014 0.000 0.267 473 E C -1.455 175.164 176.600 0.031 0.000 0.894 473 E CA -1.038 55.310 56.400 -0.087 0.000 0.773 473 E CB 2.725 32.326 29.700 -0.165 0.000 1.241 473 E HN 0.211 nan 8.360 nan 0.000 0.432 474 L N 1.799 123.055 121.223 0.055 0.000 2.354 474 L HA 0.604 4.936 4.340 -0.014 0.000 0.264 474 L C -1.546 175.290 176.870 -0.057 0.000 1.008 474 L CA -0.810 54.054 54.840 0.039 0.000 0.819 474 L CB 2.313 44.436 42.059 0.107 0.000 1.339 474 L HN 0.620 nan 8.230 nan 0.000 0.420 475 V N 2.899 122.826 119.914 0.022 0.000 2.735 475 V HA 0.770 4.882 4.120 -0.014 0.000 0.310 475 V C -1.005 175.152 176.094 0.105 0.000 1.061 475 V CA -0.881 61.461 62.300 0.070 0.000 0.913 475 V CB 1.736 33.610 31.823 0.085 0.000 1.005 475 V HN 0.568 nan 8.190 nan 0.000 0.428 476 V N 2.510 122.491 119.914 0.111 0.000 2.612 476 V HA 0.982 5.093 4.120 -0.014 0.000 0.301 476 V C -0.065 175.941 176.094 -0.147 0.000 1.059 476 V CA 0.596 62.888 62.300 -0.014 0.000 0.886 476 V CB 1.506 33.344 31.823 0.026 0.000 1.007 476 V HN 1.289 nan 8.190 nan 0.000 0.426 477 G N 2.931 111.344 108.800 -0.646 0.000 2.660 477 G HA2 0.674 4.626 3.960 -0.014 0.000 0.294 477 G HA3 0.674 4.626 3.960 -0.014 0.000 0.294 477 G C -1.126 173.303 174.900 -0.784 0.000 1.369 477 G CA -0.361 44.237 45.100 -0.837 0.000 0.912 477 G HN 0.884 nan 8.290 nan 0.000 0.479 478 T N -0.985 113.396 114.554 -0.288 0.000 2.906 478 T HA 0.773 5.115 4.350 -0.014 0.000 0.295 478 T C -0.506 174.233 174.700 0.065 0.000 1.061 478 T CA -0.063 61.980 62.100 -0.096 0.000 1.000 478 T CB 1.506 70.352 68.868 -0.036 0.000 1.103 478 T HN 1.604 nan 8.240 nan 0.000 0.486 479 S N 1.619 117.385 115.700 0.110 0.000 2.537 479 S HA 0.843 5.305 4.470 -0.014 0.000 0.270 479 S C -1.329 173.326 174.600 0.091 0.000 1.142 479 S CA -0.711 57.573 58.200 0.141 0.000 0.870 479 S CB 1.496 64.812 63.200 0.194 0.000 1.112 479 S HN 1.213 nan 8.310 nan 0.000 0.466 480 A N 1.678 124.554 122.820 0.093 0.000 2.381 480 A HA 0.885 5.197 4.320 -0.014 0.000 0.299 480 A C -0.306 177.302 177.584 0.040 0.000 1.049 480 A CA -0.416 51.640 52.037 0.032 0.000 0.715 480 A CB 1.373 20.460 19.000 0.145 0.000 1.222 480 A HN 1.975 nan 8.150 nan 0.000 0.428 481 S N 1.014 116.638 115.700 -0.126 0.000 2.547 481 S HA 0.874 5.336 4.470 -0.014 0.000 0.281 481 S C -1.168 173.304 174.600 -0.213 0.000 1.118 481 S CA -0.543 57.645 58.200 -0.020 0.000 0.947 481 S CB 0.948 64.162 63.200 0.023 0.000 1.053 481 S HN 0.488 nan 8.310 nan 0.000 0.482 482 F N 1.818 121.798 119.950 0.050 0.000 2.493 482 F HA 0.739 5.257 4.527 -0.014 0.000 0.329 482 F C 0.469 176.322 175.800 0.089 0.000 1.126 482 F CA -0.294 57.736 58.000 0.049 0.000 0.937 482 F CB 2.402 41.437 39.000 0.059 0.000 1.146 482 F HN 0.859 nan 8.300 nan 0.000 0.442 483 S N 2.139 117.997 115.700 0.262 0.000 2.540 483 S HA 0.489 4.951 4.470 -0.014 0.000 0.275 483 S C -1.749 173.117 174.600 0.443 0.000 1.123 483 S CA -0.635 57.751 58.200 0.311 0.000 0.907 483 S CB 1.620 64.975 63.200 0.259 0.000 1.081 483 S HN 0.864 nan 8.310 nan 0.000 0.476 484 H N 2.371 121.615 119.070 0.290 0.000 2.887 484 H HA 0.344 4.893 4.556 -0.012 0.000 0.300 484 H C -1.619 173.855 175.328 0.243 0.000 1.038 484 H CA -0.631 55.572 56.048 0.259 0.000 1.352 484 H CB 0.457 30.331 29.762 0.186 0.000 1.473 484 H HN 0.743 nan 8.280 nan 0.000 0.503 485 W N 6.358 127.707 121.300 0.082 0.000 2.322 485 W HA 0.295 4.944 4.660 -0.017 0.000 0.307 485 W C -1.177 175.251 176.519 -0.152 0.000 1.220 485 W CA -0.764 56.460 57.345 -0.200 0.000 1.210 485 W CB 0.564 29.706 29.460 -0.530 0.000 1.223 485 W HN 0.601 nan 8.180 nan 0.000 0.511 486 E N 4.393 124.590 120.200 -0.005 0.000 2.265 486 E HA 0.582 4.924 4.350 -0.014 0.000 0.262 486 E C -0.194 176.327 176.600 -0.131 0.000 0.889 486 E CA -0.646 55.622 56.400 -0.219 0.000 0.789 486 E CB 1.662 31.225 29.700 -0.228 0.000 1.221 486 E HN 0.557 nan 8.360 nan 0.000 0.414 487 G N 2.092 110.753 108.800 -0.232 0.000 2.725 487 G HA2 0.659 4.611 3.960 -0.014 0.000 0.288 487 G HA3 0.659 4.611 3.960 -0.014 0.000 0.288 487 G C -1.187 173.639 174.900 -0.124 0.000 1.399 487 G CA -0.668 44.389 45.100 -0.071 0.000 0.859 487 G HN 0.220 nan 8.290 nan 0.000 0.479 488 K N -0.112 120.227 120.400 -0.101 0.000 2.464 488 K HA 0.696 5.008 4.320 -0.014 0.000 0.253 488 K C -1.006 175.478 176.600 -0.193 0.000 0.933 488 K CA -0.592 55.501 56.287 -0.323 0.000 0.801 488 K CB 2.476 34.774 32.500 -0.336 0.000 1.271 488 K HN 0.445 nan 8.250 nan 0.000 0.430 489 S N 1.005 116.441 115.700 -0.439 0.000 2.599 489 S HA 0.597 5.059 4.470 -0.014 0.000 0.294 489 S C -1.591 172.548 174.600 -0.769 0.000 1.094 489 S CA -0.725 57.303 58.200 -0.286 0.000 0.931 489 S CB 0.788 64.070 63.200 0.137 0.000 1.093 489 S HN 0.428 nan 8.310 nan 0.000 0.488 490 Y N 1.096 121.066 120.300 -0.550 0.000 2.315 490 Y HA 0.347 4.902 4.550 0.008 0.000 0.324 490 Y C -0.161 175.606 175.900 -0.221 0.000 1.062 490 Y CA -1.110 56.708 58.100 -0.470 0.000 1.159 490 Y CB 0.803 39.057 38.460 -0.345 0.000 1.145 490 Y HN 0.965 nan 8.280 nan 0.000 0.442 491 W N -0.142 121.187 121.300 0.049 0.000 2.592 491 W HA 0.372 5.027 4.660 -0.009 0.000 0.306 491 W C -0.664 175.917 176.519 0.103 0.000 0.991 491 W CA -0.307 57.090 57.345 0.087 0.000 1.430 491 W CB 0.222 29.718 29.460 0.060 0.000 1.017 491 W HN 0.133 nan 8.180 nan 0.000 0.557 492 N N 3.144 121.834 118.700 -0.017 0.000 2.663 492 N HA 0.192 4.924 4.740 -0.014 0.000 0.250 492 N C -0.732 174.824 175.510 0.076 0.000 1.129 492 N CA 0.257 53.346 53.050 0.065 0.000 0.995 492 N CB 0.462 38.922 38.487 -0.044 0.000 1.324 492 N HN 0.129 nan 8.380 nan 0.000 0.512 493 L N 2.408 123.697 121.223 0.110 0.000 2.265 493 L HA 0.345 4.677 4.340 -0.014 0.000 0.288 493 L C 0.788 177.674 176.870 0.026 0.000 1.058 493 L CA -0.823 54.041 54.840 0.040 0.000 0.809 493 L CB 0.797 42.859 42.059 0.005 0.000 1.179 493 L HN 0.055 nan 8.230 nan 0.000 0.429 494 R N 3.116 123.606 120.500 -0.017 0.000 2.316 494 R HA 0.100 4.431 4.340 -0.014 0.000 0.314 494 R C 0.135 176.429 176.300 -0.010 0.000 1.069 494 R CA -0.280 55.814 56.100 -0.010 0.000 0.959 494 R CB -0.024 30.261 30.300 -0.024 0.000 0.987 494 R HN 0.617 nan 8.270 nan 0.000 0.446 495 N N 0.826 119.542 118.700 0.027 0.000 2.735 495 N HA -0.277 4.455 4.740 -0.014 0.000 0.248 495 N C -1.122 174.440 175.510 0.087 0.000 1.083 495 N CA 0.746 53.818 53.050 0.036 0.000 0.703 495 N CB -1.287 37.206 38.487 0.009 0.000 1.005 495 N HN 0.539 nan 8.380 nan 0.000 0.550 496 Y N 1.283 121.542 120.300 -0.067 0.000 2.308 496 Y HA 0.407 4.955 4.550 -0.002 0.000 0.329 496 Y C -0.040 175.836 175.900 -0.040 0.000 1.111 496 Y CA -1.630 56.425 58.100 -0.076 0.000 1.179 496 Y CB 0.952 39.356 38.460 -0.094 0.000 1.201 496 Y HN 0.121 nan 8.280 nan 0.000 0.483 497 D N 4.404 124.612 120.400 -0.319 0.000 2.461 497 D HA 0.113 4.745 4.640 -0.014 0.000 0.240 497 D C -0.174 175.705 176.300 -0.701 0.000 1.094 497 D CA -0.497 53.284 54.000 -0.366 0.000 0.868 497 D CB 0.129 40.818 40.800 -0.185 0.000 1.062 497 D HN 0.621 nan 8.370 nan 0.000 0.530 498 N N 2.360 120.660 118.700 -0.666 0.000 2.313 498 N HA -0.022 4.710 4.740 -0.014 0.000 0.207 498 N C -0.057 175.252 175.510 -0.336 0.000 1.141 498 N CA -0.298 52.375 53.050 -0.628 0.000 0.830 498 N CB 0.014 38.305 38.487 -0.327 0.000 1.008 498 N HN 0.381 nan 8.380 nan 0.000 0.481 499 T N -2.437 111.943 114.554 -0.290 0.000 2.928 499 T HA 0.451 4.793 4.350 -0.014 0.000 0.284 499 T C -0.241 174.359 174.700 -0.167 0.000 1.008 499 T CA -0.447 61.497 62.100 -0.259 0.000 1.057 499 T CB 2.061 70.789 68.868 -0.234 0.000 1.018 499 T HN 0.061 nan 8.240 nan 0.000 0.493 500 T N 0.311 114.774 114.554 -0.151 0.000 2.906 500 T HA 0.399 4.741 4.350 -0.014 0.000 0.295 500 T C -0.062 174.632 174.700 -0.010 0.000 1.061 500 T CA -0.627 61.466 62.100 -0.012 0.000 1.000 500 T CB 1.455 70.402 68.868 0.130 0.000 1.103 500 T HN 0.819 nan 8.240 nan 0.000 0.486 501 D N 1.537 121.966 120.400 0.048 0.000 2.402 501 D HA 0.149 4.781 4.640 -0.014 0.000 0.216 501 D C -0.347 176.008 176.300 0.091 0.000 1.128 501 D CA -0.164 53.863 54.000 0.045 0.000 0.833 501 D CB 0.495 41.314 40.800 0.032 0.000 0.971 501 D HN 0.375 nan 8.370 nan 0.000 0.503 502 D N 0.084 120.573 120.400 0.148 0.000 2.445 502 D HA 0.060 4.691 4.640 -0.014 0.000 0.236 502 D C -0.253 176.230 176.300 0.305 0.000 1.315 502 D CA -0.677 53.441 54.000 0.195 0.000 0.924 502 D CB 0.029 40.920 40.800 0.151 0.000 1.447 502 D HN -0.084 nan 8.370 nan 0.000 0.532 503 F N 2.700 122.751 119.950 0.167 0.000 2.098 503 F HA 0.008 4.526 4.527 -0.014 0.000 0.294 503 F C 1.830 177.847 175.800 0.361 0.000 1.107 503 F CA 1.063 59.207 58.000 0.241 0.000 1.234 503 F CB 0.024 39.110 39.000 0.143 0.000 1.002 503 F HN 0.350 nan 8.300 nan 0.000 0.472 504 I N 1.093 121.871 120.570 0.347 0.000 2.236 504 I HA -0.382 3.780 4.170 -0.014 0.000 0.249 504 I C 0.990 177.227 176.117 0.200 0.000 1.102 504 I CA 2.095 63.527 61.300 0.221 0.000 1.365 504 I CB -0.543 37.576 38.000 0.199 0.000 1.051 504 I HN 0.240 nan 8.210 nan 0.000 0.420 505 N N -0.869 117.942 118.700 0.185 0.000 2.273 505 N HA -0.009 4.723 4.740 -0.014 0.000 0.231 505 N C -0.442 175.118 175.510 0.083 0.000 1.134 505 N CA -0.280 52.842 53.050 0.121 0.000 0.856 505 N CB 0.044 38.577 38.487 0.075 0.000 1.068 505 N HN 0.309 nan 8.380 nan 0.000 0.510 506 W N 2.238 123.478 121.300 -0.101 0.000 2.603 506 W HA -0.148 4.502 4.660 -0.016 0.000 0.349 506 W C 0.019 176.315 176.519 -0.371 0.000 1.291 506 W CA 0.655 57.845 57.345 -0.258 0.000 1.277 506 W CB 0.426 29.651 29.460 -0.392 0.000 1.292 506 W HN 0.249 nan 8.180 nan 0.000 0.578 507 D N 3.052 122.946 120.400 -0.844 0.000 2.379 507 D HA 0.115 4.747 4.640 -0.014 0.000 0.208 507 D C 1.900 177.238 176.300 -1.602 0.000 1.065 507 D CA 1.008 54.464 54.000 -0.907 0.000 0.848 507 D CB 0.152 40.634 40.800 -0.530 0.000 0.949 507 D HN 0.703 nan 8.370 nan 0.000 0.509 508 G N 1.439 108.793 108.800 -2.409 0.000 2.179 508 G HA2 -0.297 3.655 3.960 -0.014 0.000 0.260 508 G HA3 -0.297 3.655 3.960 -0.014 0.000 0.260 508 G C 0.415 174.618 174.900 -1.162 0.000 0.977 508 G CA 0.374 44.280 45.100 -1.990 0.000 0.641 508 G HN 0.417 nan 8.290 nan 0.000 0.533 509 D N 0.681 120.512 120.400 -0.949 0.000 2.801 509 D HA 0.432 5.064 4.640 -0.014 0.000 0.232 509 D C 0.607 176.792 176.300 -0.192 0.000 1.128 509 D CA -0.227 53.520 54.000 -0.422 0.000 1.003 509 D CB -0.520 40.089 40.800 -0.319 0.000 1.110 509 D HN 0.511 nan 8.370 nan 0.000 0.477 510 I N 0.062 120.595 120.570 -0.062 0.000 2.750 510 I HA 0.545 4.707 4.170 -0.014 0.000 0.308 510 I C 1.032 177.368 176.117 0.364 0.000 1.016 510 I CA -0.991 60.435 61.300 0.209 0.000 1.098 510 I CB 1.588 39.835 38.000 0.411 0.000 1.279 510 I HN 0.215 nan 8.210 nan 0.000 0.454 511 G N 3.471 112.468 108.800 0.328 0.000 2.771 511 G HA2 0.035 3.987 3.960 -0.014 0.000 0.242 511 G HA3 0.035 3.987 3.960 -0.014 0.000 0.242 511 G C -0.728 174.374 174.900 0.337 0.000 1.233 511 G CA -0.283 44.998 45.100 0.301 0.000 0.858 511 G HN 0.719 nan 8.290 nan 0.000 0.591 512 K N 1.176 121.463 120.400 -0.188 0.000 2.274 512 K HA 0.488 4.800 4.320 -0.014 0.000 0.262 512 K C -2.155 173.894 176.600 -0.918 0.000 0.961 512 K CA -1.645 54.083 56.287 -0.932 0.000 0.833 512 K CB 1.938 33.778 32.500 -1.099 0.000 1.102 512 K HN 0.307 nan 8.250 nan 0.000 0.436 513 P HA 0.126 nan 4.420 nan 0.000 0.279 513 P C -1.102 175.488 177.300 -1.184 0.000 1.282 513 P CA -0.382 61.849 63.100 -1.447 0.000 0.788 513 P CB 0.494 30.944 31.700 -2.082 0.000 1.139 514 D N -0.658 119.286 120.400 -0.759 0.000 2.396 514 D HA 0.093 4.725 4.640 -0.014 0.000 0.225 514 D C 0.617 176.656 176.300 -0.433 0.000 1.121 514 D CA -0.384 53.317 54.000 -0.499 0.000 0.853 514 D CB -0.124 40.527 40.800 -0.248 0.000 1.043 514 D HN 0.272 nan 8.370 nan 0.000 0.500 515 W N 3.661 124.813 121.300 -0.248 0.000 2.387 515 W HA -0.015 4.609 4.660 -0.059 0.000 0.272 515 W C 1.819 178.312 176.519 -0.043 0.000 1.224 515 W CA 0.417 57.636 57.345 -0.211 0.000 1.210 515 W CB -0.090 29.112 29.460 -0.430 0.000 1.125 515 W HN 0.688 nan 8.180 nan 0.000 0.572 516 G N 0.186 109.064 108.800 0.129 0.000 2.645 516 G HA2 -0.271 3.681 3.960 -0.014 0.000 0.239 516 G HA3 -0.271 3.681 3.960 -0.014 0.000 0.239 516 G C 0.111 175.111 174.900 0.166 0.000 1.331 516 G CA -0.047 45.111 45.100 0.097 0.000 0.890 516 G HN 0.227 nan 8.290 nan 0.000 0.572 517 T N -0.397 114.192 114.554 0.058 0.000 2.881 517 T HA 0.671 5.013 4.350 -0.014 0.000 0.278 517 T C -2.522 172.008 174.700 -0.283 0.000 0.982 517 T CA -1.010 61.091 62.100 0.002 0.000 0.989 517 T CB 1.692 70.549 68.868 -0.018 0.000 1.058 517 T HN 0.572 nan 8.240 nan 0.000 0.529 518 P HA 0.228 nan 4.420 nan 0.000 0.266 518 P C 0.286 177.113 177.300 -0.789 0.000 1.195 518 P CA -0.149 62.295 63.100 -1.093 0.000 0.768 518 P CB 0.397 31.433 31.700 -1.106 0.000 0.838 519 S N 0.267 115.355 115.700 -1.019 0.000 2.501 519 S HA 0.006 4.468 4.470 -0.014 0.000 0.220 519 S C 0.476 174.657 174.600 -0.699 0.000 0.997 519 S CA 0.422 58.004 58.200 -1.029 0.000 0.919 519 S CB -0.142 61.759 63.200 -2.165 0.000 0.778 519 S HN 0.600 nan 8.310 nan 0.000 0.523 520 Q N -0.775 118.652 119.800 -0.621 0.000 2.545 520 Q HA 0.365 4.697 4.340 -0.014 0.000 0.273 520 Q C -2.376 173.413 176.000 -0.353 0.000 0.975 520 Q CA -0.625 55.016 55.803 -0.270 0.000 0.876 520 Q CB 0.893 29.571 28.738 -0.100 0.000 1.472 520 Q HN 0.224 nan 8.270 nan 0.000 0.389 521 Y N 2.749 122.957 120.300 -0.154 0.000 2.361 521 Y HA 0.493 5.036 4.550 -0.012 0.000 0.337 521 Y C -0.074 175.715 175.900 -0.185 0.000 0.965 521 Y CA -0.781 57.220 58.100 -0.164 0.000 1.091 521 Y CB 1.485 39.862 38.460 -0.137 0.000 1.182 521 Y HN 0.453 nan 8.280 nan 0.000 0.450 522 I N 2.148 122.617 120.570 -0.168 0.000 2.577 522 I HA 0.359 4.521 4.170 -0.014 0.000 0.300 522 I C -0.678 175.258 176.117 -0.301 0.000 0.990 522 I CA -0.391 60.673 61.300 -0.393 0.000 1.283 522 I CB 1.681 39.103 38.000 -0.963 0.000 1.411 522 I HN 0.654 nan 8.210 nan 0.000 0.515 523 D N 2.557 122.811 120.400 -0.244 0.000 2.419 523 D HA 0.322 4.954 4.640 -0.014 0.000 0.219 523 D C -1.688 174.640 176.300 0.046 0.000 1.349 523 D CA -0.179 53.799 54.000 -0.037 0.000 0.964 523 D CB 1.035 41.879 40.800 0.074 0.000 1.463 523 D HN 0.489 nan 8.370 nan 0.000 0.573 524 D N 2.359 122.855 120.400 0.161 0.000 2.788 524 D HA 0.403 5.035 4.640 -0.014 0.000 0.247 524 D C -1.213 175.343 176.300 0.426 0.000 1.236 524 D CA -0.489 53.689 54.000 0.297 0.000 0.898 524 D CB 1.205 42.276 40.800 0.452 0.000 1.401 524 D HN 0.105 nan 8.370 nan 0.000 0.549 525 K N 2.018 122.589 120.400 0.285 0.000 2.450 525 K HA 0.505 4.817 4.320 -0.014 0.000 0.257 525 K C -0.783 175.912 176.600 0.159 0.000 0.953 525 K CA -0.690 55.724 56.287 0.212 0.000 0.844 525 K CB 1.961 34.460 32.500 -0.001 0.000 1.103 525 K HN 0.222 nan 8.250 nan 0.000 0.429 526 T N 2.457 117.098 114.554 0.145 0.000 2.875 526 T HA 0.332 4.674 4.350 -0.014 0.000 0.284 526 T C -0.399 174.193 174.700 -0.181 0.000 0.995 526 T CA -0.645 61.385 62.100 -0.117 0.000 1.060 526 T CB 0.976 69.675 68.868 -0.280 0.000 0.967 526 T HN 0.325 nan 8.240 nan 0.000 0.476 527 R N 2.189 122.492 120.500 -0.328 0.000 2.439 527 R HA 0.284 4.615 4.340 -0.014 0.000 0.310 527 R C -1.131 174.898 176.300 -0.452 0.000 0.955 527 R CA -0.575 55.279 56.100 -0.410 0.000 0.853 527 R CB 1.153 31.231 30.300 -0.370 0.000 1.171 527 R HN 0.539 nan 8.270 nan 0.000 0.449 528 Q N 5.119 124.686 119.800 -0.388 0.000 2.333 528 Q HA 0.409 4.741 4.340 -0.014 0.000 0.268 528 Q C -1.152 174.746 176.000 -0.170 0.000 1.007 528 Q CA -0.615 55.069 55.803 -0.199 0.000 0.810 528 Q CB 1.827 30.508 28.738 -0.094 0.000 1.264 528 Q HN 0.558 nan 8.270 nan 0.000 0.452 529 L N 0.954 122.128 121.223 -0.081 0.000 2.341 529 L HA 0.920 5.252 4.340 -0.014 0.000 0.267 529 L C 0.284 177.182 176.870 0.046 0.000 1.009 529 L CA -0.949 53.870 54.840 -0.036 0.000 0.819 529 L CB 2.322 44.357 42.059 -0.040 0.000 1.323 529 L HN 0.631 nan 8.230 nan 0.000 0.425 530 G N 0.025 108.870 108.800 0.075 0.000 2.718 530 G HA2 0.647 4.599 3.960 -0.014 0.000 0.295 530 G HA3 0.647 4.599 3.960 -0.014 0.000 0.295 530 G C -1.715 173.258 174.900 0.121 0.000 1.421 530 G CA -0.392 44.778 45.100 0.117 0.000 0.902 530 G HN 0.424 nan 8.290 nan 0.000 0.501 531 S N -0.360 115.407 115.700 0.112 0.000 2.521 531 S HA 0.805 5.267 4.470 -0.014 0.000 0.295 531 S C -1.166 173.497 174.600 0.105 0.000 1.098 531 S CA -0.589 57.627 58.200 0.027 0.000 0.999 531 S CB 1.229 64.433 63.200 0.008 0.000 1.034 531 S HN 0.818 nan 8.310 nan 0.000 0.483 532 Y N -0.354 119.969 120.300 0.038 0.000 2.609 532 Y HA 0.863 5.404 4.550 -0.014 0.000 0.342 532 Y C -0.772 175.145 175.900 0.027 0.000 1.058 532 Y CA -1.609 56.501 58.100 0.016 0.000 1.055 532 Y CB 1.511 39.948 38.460 -0.038 0.000 1.292 532 Y HN 0.627 nan 8.280 nan 0.000 0.476 533 M N 1.965 121.704 119.600 0.232 0.000 2.284 533 M HA 0.616 5.087 4.480 -0.014 0.000 0.281 533 M C -2.195 174.191 176.300 0.144 0.000 1.083 533 M CA 0.025 55.414 55.300 0.148 0.000 0.965 533 M CB 2.239 34.904 32.600 0.107 0.000 1.717 533 M HN 0.847 nan 8.290 nan 0.000 0.479 534 T N 3.264 117.884 114.554 0.109 0.000 2.861 534 T HA 0.880 5.222 4.350 -0.014 0.000 0.287 534 T C -0.984 173.753 174.700 0.062 0.000 1.003 534 T CA -0.657 61.495 62.100 0.087 0.000 0.977 534 T CB 1.765 70.647 68.868 0.023 0.000 0.996 534 T HN 0.758 nan 8.240 nan 0.000 0.448 535 A N 2.544 125.394 122.820 0.050 0.000 2.337 535 A HA 0.826 5.138 4.320 -0.014 0.000 0.329 535 A C -0.204 177.229 177.584 -0.251 0.000 1.146 535 A CA -0.834 51.117 52.037 -0.143 0.000 0.800 535 A CB 1.017 19.836 19.000 -0.302 0.000 1.220 535 A HN 0.750 nan 8.150 nan 0.000 0.472 536 R N 2.316 122.565 120.500 -0.419 0.000 2.371 536 R HA 0.487 4.818 4.340 -0.014 0.000 0.312 536 R C -1.919 174.137 176.300 -0.407 0.000 0.980 536 R CA -0.292 55.495 56.100 -0.522 0.000 0.867 536 R CB 0.428 30.377 30.300 -0.584 0.000 1.163 536 R HN 0.591 nan 8.270 nan 0.000 0.492 537 F N 2.507 122.420 119.950 -0.062 0.000 2.410 537 F HA 0.240 4.759 4.527 -0.013 0.000 0.349 537 F C 1.130 177.021 175.800 0.153 0.000 1.117 537 F CA -0.493 57.617 58.000 0.184 0.000 1.104 537 F CB 1.212 40.233 39.000 0.035 0.000 1.122 537 F HN 0.386 nan 8.300 nan 0.000 0.483 538 N N 3.556 122.475 118.700 0.365 0.000 2.605 538 N HA 0.116 4.848 4.740 -0.014 0.000 0.258 538 N C 0.747 176.379 175.510 0.203 0.000 1.156 538 N CA -0.201 52.905 53.050 0.093 0.000 1.008 538 N CB 0.645 39.050 38.487 -0.138 0.000 1.354 538 N HN 0.472 nan 8.380 nan 0.000 0.509 539 V N 1.678 121.720 119.914 0.214 0.000 2.283 539 V HA -0.096 4.016 4.120 -0.014 0.000 0.243 539 V C 1.526 177.685 176.094 0.108 0.000 1.039 539 V CA 1.712 64.119 62.300 0.179 0.000 1.016 539 V CB -0.697 31.203 31.823 0.127 0.000 0.650 539 V HN 0.755 nan 8.190 nan 0.000 0.449 540 T N -3.652 110.958 114.554 0.094 0.000 2.773 540 T HA 0.287 4.629 4.350 -0.014 0.000 0.278 540 T C 0.336 175.071 174.700 0.057 0.000 1.011 540 T CA -0.356 61.786 62.100 0.070 0.000 1.014 540 T CB 1.617 70.537 68.868 0.087 0.000 1.293 540 T HN 0.096 nan 8.240 nan 0.000 0.554 541 D N 0.600 121.026 120.400 0.042 0.000 2.378 541 D HA -0.001 4.631 4.640 -0.014 0.000 0.222 541 D C 0.422 176.737 176.300 0.025 0.000 0.980 541 D CA 0.924 54.936 54.000 0.021 0.000 0.907 541 D CB 0.053 40.857 40.800 0.007 0.000 0.899 541 D HN 0.567 nan 8.370 nan 0.000 0.527 542 D N -0.333 120.112 120.400 0.074 0.000 2.500 542 D HA 0.061 4.693 4.640 -0.014 0.000 0.218 542 D C 0.253 176.665 176.300 0.188 0.000 1.140 542 D CA -0.258 53.778 54.000 0.060 0.000 0.830 542 D CB 1.008 41.778 40.800 -0.050 0.000 1.055 542 D HN 0.067 nan 8.370 nan 0.000 0.512 543 L N 1.781 123.131 121.223 0.212 0.000 2.349 543 L HA 0.420 4.751 4.340 -0.014 0.000 0.278 543 L C -1.216 175.751 176.870 0.162 0.000 0.996 543 L CA -0.498 54.491 54.840 0.247 0.000 0.825 543 L CB 1.343 43.539 42.059 0.228 0.000 1.243 543 L HN -0.227 nan 8.230 nan 0.000 0.412 544 N N 5.345 124.139 118.700 0.157 0.000 2.417 544 N HA 0.422 5.154 4.740 -0.014 0.000 0.274 544 N C -1.492 174.088 175.510 0.117 0.000 0.987 544 N CA -0.576 52.526 53.050 0.086 0.000 0.912 544 N CB 2.631 41.121 38.487 0.004 0.000 1.177 544 N HN 0.407 nan 8.380 nan 0.000 0.490 545 L N 2.851 124.141 121.223 0.111 0.000 2.322 545 L HA 0.584 4.916 4.340 -0.014 0.000 0.281 545 L C -1.446 175.527 176.870 0.171 0.000 1.014 545 L CA -0.473 54.493 54.840 0.209 0.000 0.815 545 L CB 0.749 42.950 42.059 0.238 0.000 1.247 545 L HN 0.371 nan 8.230 nan 0.000 0.421 546 F N 5.740 125.860 119.950 0.282 0.000 2.449 546 F HA 0.604 5.123 4.527 -0.013 0.000 0.342 546 F C -0.584 175.423 175.800 0.345 0.000 1.127 546 F CA -0.432 57.749 58.000 0.302 0.000 0.975 546 F CB 1.432 40.649 39.000 0.362 0.000 1.146 546 F HN 0.222 nan 8.300 nan 0.000 0.444 547 L N 3.932 125.462 121.223 0.512 0.000 2.441 547 L HA 0.822 5.154 4.340 -0.014 0.000 0.270 547 L C -0.220 176.872 176.870 0.370 0.000 0.973 547 L CA -0.467 54.636 54.840 0.437 0.000 0.842 547 L CB 1.902 44.205 42.059 0.407 0.000 1.239 547 L HN 0.750 nan 8.230 nan 0.000 0.406 548 G N 1.319 110.345 108.800 0.377 0.000 2.645 548 G HA2 0.793 4.744 3.960 -0.014 0.000 0.292 548 G HA3 0.793 4.744 3.960 -0.014 0.000 0.292 548 G C -1.371 173.687 174.900 0.263 0.000 1.415 548 G CA -0.087 45.173 45.100 0.267 0.000 0.785 548 G HN 0.777 nan 8.290 nan 0.000 0.483 549 G N -1.282 107.627 108.800 0.183 0.000 2.663 549 G HA2 0.701 4.653 3.960 -0.014 0.000 0.299 549 G HA3 0.701 4.653 3.960 -0.014 0.000 0.299 549 G C -1.608 173.292 174.900 0.001 0.000 1.372 549 G CA -0.739 44.346 45.100 -0.026 0.000 0.781 549 G HN 0.683 nan 8.290 nan 0.000 0.491 550 R N -0.665 119.744 120.500 -0.151 0.000 2.574 550 R HA 0.610 4.942 4.340 -0.014 0.000 0.288 550 R C -1.661 174.650 176.300 0.019 0.000 1.004 550 R CA -0.620 55.490 56.100 0.018 0.000 0.895 550 R CB 2.234 32.530 30.300 -0.008 0.000 1.191 550 R HN 0.690 nan 8.270 nan 0.000 0.444 551 V N 5.527 125.539 119.914 0.162 0.000 2.472 551 V HA 0.693 4.805 4.120 -0.014 0.000 0.290 551 V C -1.194 174.997 176.094 0.163 0.000 1.037 551 V CA -0.230 62.193 62.300 0.206 0.000 0.908 551 V CB 1.721 33.697 31.823 0.255 0.000 0.985 551 V HN 0.579 nan 8.190 nan 0.000 0.454 552 V N 5.745 125.766 119.914 0.177 0.000 2.709 552 V HA 0.607 4.719 4.120 -0.014 0.000 0.308 552 V C -0.922 175.293 176.094 0.201 0.000 1.062 552 V CA -0.635 61.786 62.300 0.202 0.000 0.901 552 V CB 1.953 33.960 31.823 0.306 0.000 1.003 552 V HN 0.960 nan 8.190 nan 0.000 0.425 553 D N 1.974 122.481 120.400 0.178 0.000 2.757 553 D HA 0.457 5.089 4.640 -0.014 0.000 0.249 553 D C -2.056 174.355 176.300 0.184 0.000 1.168 553 D CA -0.235 53.857 54.000 0.154 0.000 0.870 553 D CB 2.338 43.184 40.800 0.078 0.000 1.411 553 D HN 0.560 nan 8.370 nan 0.000 0.525 554 Y N 3.011 123.339 120.300 0.046 0.000 2.362 554 Y HA 0.352 4.894 4.550 -0.014 0.000 0.326 554 Y C -1.321 174.593 175.900 0.023 0.000 1.083 554 Y CA -0.842 57.272 58.100 0.024 0.000 1.073 554 Y CB 1.292 39.798 38.460 0.078 0.000 1.211 554 Y HN 0.406 nan 8.280 nan 0.000 0.433 555 R N 5.660 125.973 120.500 -0.312 0.000 2.502 555 R HA 0.682 5.013 4.340 -0.014 0.000 0.298 555 R C -2.394 173.796 176.300 -0.184 0.000 1.018 555 R CA -0.811 55.215 56.100 -0.124 0.000 0.899 555 R CB 1.708 31.977 30.300 -0.052 0.000 1.181 555 R HN 0.502 nan 8.270 nan 0.000 0.444 556 V N 3.621 123.512 119.914 -0.039 0.000 2.350 556 V HA 0.569 4.681 4.120 -0.014 0.000 0.285 556 V C -1.218 174.919 176.094 0.070 0.000 1.014 556 V CA 0.125 62.431 62.300 0.010 0.000 0.831 556 V CB 1.568 33.427 31.823 0.060 0.000 1.000 556 V HN 0.889 nan 8.190 nan 0.000 0.433 557 T N 5.197 119.793 114.554 0.069 0.000 2.912 557 T HA 0.941 5.283 4.350 -0.014 0.000 0.288 557 T C 0.358 175.111 174.700 0.087 0.000 1.030 557 T CA 0.566 62.706 62.100 0.067 0.000 1.020 557 T CB 1.463 70.354 68.868 0.039 0.000 1.056 557 T HN 1.629 nan 8.240 nan 0.000 0.480 558 G N 1.110 109.954 108.800 0.074 0.000 2.174 558 G HA2 -0.051 3.901 3.960 -0.014 0.000 0.070 558 G HA3 -0.051 3.901 3.960 -0.014 0.000 0.070 558 G C 0.242 175.180 174.900 0.064 0.000 1.120 558 G CA -0.385 44.758 45.100 0.072 0.000 1.194 558 G HN 0.614 nan 8.290 nan 0.000 0.435 559 L N 1.719 122.979 121.223 0.063 0.000 2.446 559 L HA 0.236 4.568 4.340 -0.014 0.000 0.219 559 L C 0.741 177.657 176.870 0.076 0.000 1.116 559 L CA 0.298 55.170 54.840 0.054 0.000 0.844 559 L CB -0.533 41.544 42.059 0.030 0.000 0.970 559 L HN 0.295 nan 8.230 nan 0.000 0.457 560 N N 0.455 119.218 118.700 0.103 0.000 2.434 560 N HA 0.274 5.006 4.740 -0.014 0.000 0.266 560 N C -2.261 173.309 175.510 0.100 0.000 1.223 560 N CA -1.453 51.669 53.050 0.120 0.000 0.972 560 N CB -0.218 38.367 38.487 0.163 0.000 1.207 560 N HN -0.173 nan 8.380 nan 0.000 0.525 561 P HA 0.074 nan 4.420 nan 0.000 0.269 561 P C -0.214 177.139 177.300 0.088 0.000 1.209 561 P CA 0.183 63.333 63.100 0.083 0.000 0.776 561 P CB 0.187 31.936 31.700 0.082 0.000 0.876 562 T N 2.837 117.436 114.554 0.076 0.000 2.946 562 T HA 0.106 4.448 4.350 -0.014 0.000 0.312 562 T C 0.511 175.263 174.700 0.087 0.000 1.066 562 T CA 0.681 62.827 62.100 0.077 0.000 1.138 562 T CB -0.326 68.579 68.868 0.062 0.000 1.014 562 T HN 0.178 nan 8.240 nan 0.000 0.544 563 I N 3.577 124.207 120.570 0.100 0.000 2.389 563 I HA 0.463 4.625 4.170 -0.014 0.000 0.288 563 I C 0.289 176.490 176.117 0.140 0.000 0.999 563 I CA -0.631 60.742 61.300 0.122 0.000 1.129 563 I CB 1.235 39.326 38.000 0.152 0.000 1.288 563 I HN 0.225 nan 8.210 nan 0.000 0.444 564 R N 5.202 125.779 120.500 0.128 0.000 2.532 564 R HA 0.478 4.810 4.340 -0.014 0.000 0.297 564 R C -1.388 174.988 176.300 0.127 0.000 0.984 564 R CA -0.607 55.569 56.100 0.126 0.000 0.884 564 R CB 2.315 32.664 30.300 0.081 0.000 1.182 564 R HN 0.519 nan 8.270 nan 0.000 0.442 565 E N 1.570 121.871 120.200 0.168 0.000 2.244 565 E HA 0.309 4.650 4.350 -0.014 0.000 0.260 565 E C -1.038 175.630 176.600 0.113 0.000 0.884 565 E CA -0.373 56.096 56.400 0.116 0.000 0.777 565 E CB 2.495 32.274 29.700 0.131 0.000 1.197 565 E HN 0.362 nan 8.360 nan 0.000 0.416 566 S N -0.137 115.598 115.700 0.058 0.000 2.621 566 S HA 0.543 5.005 4.470 -0.014 0.000 0.302 566 S C 0.708 175.332 174.600 0.040 0.000 1.093 566 S CA 0.050 58.285 58.200 0.059 0.000 1.017 566 S CB 1.499 64.727 63.200 0.046 0.000 1.077 566 S HN 0.750 nan 8.310 nan 0.000 0.517 567 G N 2.572 111.407 108.800 0.059 0.000 2.449 567 G HA2 -0.247 3.705 3.960 -0.014 0.000 0.304 567 G HA3 -0.247 3.705 3.960 -0.014 0.000 0.304 567 G C 0.071 175.008 174.900 0.061 0.000 0.962 567 G CA 0.451 45.590 45.100 0.065 0.000 0.943 567 G HN 0.534 nan 8.290 nan 0.000 0.514 568 R N -0.987 119.534 120.500 0.034 0.000 2.389 568 R HA 0.350 4.682 4.340 -0.014 0.000 0.295 568 R C -0.339 176.025 176.300 0.106 0.000 1.075 568 R CA -0.461 55.609 56.100 -0.051 0.000 1.005 568 R CB 0.678 30.748 30.300 -0.383 0.000 0.987 568 R HN 0.222 nan 8.270 nan 0.000 0.452 569 F N 4.170 124.095 119.950 -0.042 0.000 2.427 569 F HA 0.417 4.936 4.527 -0.013 0.000 0.346 569 F C -0.323 175.507 175.800 0.050 0.000 1.120 569 F CA -0.900 57.117 58.000 0.028 0.000 1.033 569 F CB 0.790 39.806 39.000 0.027 0.000 1.126 569 F HN 0.346 nan 8.300 nan 0.000 0.462 570 I N 8.884 129.046 120.570 -0.680 0.000 2.359 570 I HA 0.300 4.462 4.170 -0.014 0.000 0.284 570 I C -2.172 173.493 176.117 -0.753 0.000 1.018 570 I CA -2.163 58.844 61.300 -0.488 0.000 1.173 570 I CB 1.197 39.080 38.000 -0.195 0.000 1.326 570 I HN 0.414 nan 8.210 nan 0.000 0.462 571 P HA -0.002 nan 4.420 nan 0.000 0.270 571 P C -1.288 176.028 177.300 0.027 0.000 1.223 571 P CA 0.103 63.151 63.100 -0.088 0.000 0.785 571 P CB 0.597 32.479 31.700 0.304 0.000 0.923 572 Y N 1.089 121.407 120.300 0.028 0.000 2.287 572 Y HA 0.400 4.942 4.550 -0.014 0.000 0.325 572 Y C -1.790 174.194 175.900 0.141 0.000 1.139 572 Y CA -0.642 57.470 58.100 0.020 0.000 1.167 572 Y CB 1.032 39.464 38.460 -0.046 0.000 1.158 572 Y HN 0.069 nan 8.280 nan 0.000 0.434 573 V N 5.315 125.212 119.914 -0.029 0.000 2.588 573 V HA 0.977 5.089 4.120 -0.014 0.000 0.304 573 V C -0.005 176.059 176.094 -0.050 0.000 1.042 573 V CA -0.085 62.285 62.300 0.117 0.000 0.877 573 V CB 1.580 33.504 31.823 0.168 0.000 0.996 573 V HN 0.952 nan 8.190 nan 0.000 0.425 574 G N 2.580 111.468 108.800 0.147 0.000 2.677 574 G HA2 0.885 4.837 3.960 -0.014 0.000 0.291 574 G HA3 0.885 4.837 3.960 -0.014 0.000 0.291 574 G C -1.474 173.634 174.900 0.347 0.000 1.435 574 G CA -0.073 45.115 45.100 0.146 0.000 0.826 574 G HN 1.165 nan 8.290 nan 0.000 0.491 575 A N -0.665 122.345 122.820 0.317 0.000 2.572 575 A HA 0.821 5.133 4.320 -0.014 0.000 0.295 575 A C -1.570 176.228 177.584 0.357 0.000 1.072 575 A CA -0.614 51.627 52.037 0.339 0.000 0.691 575 A CB 2.139 21.277 19.000 0.230 0.000 1.291 575 A HN 1.520 nan 8.150 nan 0.000 0.404 576 V N 2.153 122.275 119.914 0.348 0.000 2.419 576 V HA 0.329 4.441 4.120 -0.014 0.000 0.287 576 V C -1.546 174.727 176.094 0.299 0.000 1.017 576 V CA -0.346 62.149 62.300 0.325 0.000 0.844 576 V CB 1.242 33.245 31.823 0.300 0.000 1.011 576 V HN 0.813 nan 8.190 nan 0.000 0.429 577 Y N 4.327 124.714 120.300 0.144 0.000 2.335 577 Y HA 0.536 5.077 4.550 -0.014 0.000 0.339 577 Y C 0.179 176.135 175.900 0.093 0.000 0.987 577 Y CA -1.367 56.794 58.100 0.101 0.000 1.140 577 Y CB 0.918 39.427 38.460 0.082 0.000 1.173 577 Y HN 0.666 nan 8.280 nan 0.000 0.486 578 D N 6.437 126.584 120.400 -0.423 0.000 2.302 578 D HA 0.167 4.799 4.640 -0.014 0.000 0.248 578 D C 0.583 176.568 176.300 -0.526 0.000 1.094 578 D CA 0.039 53.842 54.000 -0.329 0.000 0.897 578 D CB 1.836 42.522 40.800 -0.190 0.000 1.200 578 D HN 0.688 nan 8.370 nan 0.000 0.429 579 L N 0.867 121.946 121.223 -0.241 0.000 2.445 579 L HA 0.117 4.449 4.340 -0.014 0.000 0.207 579 L C 0.710 177.532 176.870 -0.080 0.000 1.053 579 L CA 0.396 55.135 54.840 -0.168 0.000 0.841 579 L CB 0.072 42.113 42.059 -0.029 0.000 1.074 579 L HN 0.338 nan 8.230 nan 0.000 0.479 580 N N -1.862 116.819 118.700 -0.032 0.000 3.278 580 N HA 0.136 4.868 4.740 -0.014 0.000 0.307 580 N C -0.460 175.017 175.510 -0.054 0.000 1.551 580 N CA -0.630 52.407 53.050 -0.021 0.000 0.794 580 N CB 0.308 38.815 38.487 0.033 0.000 1.770 580 N HN -0.270 nan 8.380 nan 0.000 0.612 581 D N 0.288 120.656 120.400 -0.052 0.000 2.271 581 D HA -0.080 4.552 4.640 -0.014 0.000 0.207 581 D C 0.970 177.181 176.300 -0.149 0.000 0.983 581 D CA 1.691 55.642 54.000 -0.081 0.000 0.878 581 D CB -0.013 40.752 40.800 -0.058 0.000 0.920 581 D HN 0.470 nan 8.370 nan 0.000 0.479 582 T N -1.366 113.081 114.554 -0.178 0.000 3.071 582 T HA 0.061 4.402 4.350 -0.014 0.000 0.239 582 T C 0.208 174.545 174.700 -0.604 0.000 0.997 582 T CA 0.163 61.984 62.100 -0.464 0.000 1.134 582 T CB 0.360 68.889 68.868 -0.566 0.000 0.928 582 T HN -0.023 nan 8.240 nan 0.000 0.453 583 Y N 1.221 121.436 120.300 -0.142 0.000 2.409 583 Y HA 0.658 5.200 4.550 -0.014 0.000 0.339 583 Y C 0.121 175.979 175.900 -0.069 0.000 1.033 583 Y CA -0.893 57.151 58.100 -0.094 0.000 1.094 583 Y CB 1.778 40.207 38.460 -0.050 0.000 1.210 583 Y HN -0.049 nan 8.280 nan 0.000 0.456 584 S N 1.485 117.265 115.700 0.133 0.000 2.570 584 S HA 0.688 5.150 4.470 -0.014 0.000 0.286 584 S C -1.016 173.700 174.600 0.194 0.000 1.099 584 S CA -0.920 57.343 58.200 0.103 0.000 0.913 584 S CB 1.751 64.997 63.200 0.077 0.000 1.085 584 S HN 0.525 nan 8.310 nan 0.000 0.480 585 V N 1.308 121.338 119.914 0.193 0.000 2.630 585 V HA 0.927 5.039 4.120 -0.014 0.000 0.305 585 V C -1.172 175.093 176.094 0.285 0.000 1.046 585 V CA -0.697 61.728 62.300 0.209 0.000 0.934 585 V CB 0.808 32.722 31.823 0.151 0.000 1.003 585 V HN 0.925 nan 8.190 nan 0.000 0.451 586 Y N 1.853 122.237 120.300 0.140 0.000 2.581 586 Y HA 0.992 5.534 4.550 -0.014 0.000 0.345 586 Y C -0.513 175.461 175.900 0.123 0.000 1.036 586 Y CA -0.958 57.225 58.100 0.139 0.000 1.042 586 Y CB 1.675 40.206 38.460 0.118 0.000 1.289 586 Y HN 1.158 nan 8.280 nan 0.000 0.471 587 A N 1.830 124.727 122.820 0.129 0.000 2.488 587 A HA 0.817 5.129 4.320 -0.014 0.000 0.298 587 A C -1.083 176.586 177.584 0.141 0.000 1.044 587 A CA -0.105 51.961 52.037 0.049 0.000 0.693 587 A CB 1.286 20.311 19.000 0.041 0.000 1.272 587 A HN 1.583 nan 8.150 nan 0.000 0.402 588 S N 0.594 116.357 115.700 0.104 0.000 2.618 588 S HA 0.796 5.258 4.470 -0.014 0.000 0.277 588 S C -1.264 173.329 174.600 -0.011 0.000 1.138 588 S CA -0.603 57.598 58.200 0.002 0.000 0.844 588 S CB 1.590 64.736 63.200 -0.089 0.000 1.127 588 S HN 1.737 nan 8.310 nan 0.000 0.474 589 Y N 1.413 121.552 120.300 -0.268 0.000 2.331 589 Y HA 0.592 5.134 4.550 -0.013 0.000 0.326 589 Y C -0.797 174.855 175.900 -0.414 0.000 1.020 589 Y CA -0.182 57.719 58.100 -0.331 0.000 1.136 589 Y CB 1.601 39.926 38.460 -0.225 0.000 1.157 589 Y HN 1.089 nan 8.280 nan 0.000 0.444 590 T N 2.169 116.212 114.554 -0.852 0.000 2.893 590 T HA 0.590 4.931 4.350 -0.014 0.000 0.291 590 T C -1.406 172.876 174.700 -0.696 0.000 1.028 590 T CA -0.759 60.950 62.100 -0.653 0.000 0.995 590 T CB 2.374 70.995 68.868 -0.412 0.000 1.051 590 T HN 0.652 nan 8.240 nan 0.000 0.470 591 D N 0.089 120.214 120.400 -0.458 0.000 2.523 591 D HA 0.781 5.412 4.640 -0.014 0.000 0.236 591 D C -1.254 174.912 176.300 -0.225 0.000 1.094 591 D CA -0.804 52.983 54.000 -0.355 0.000 0.942 591 D CB 1.959 42.582 40.800 -0.295 0.000 1.447 591 D HN 0.811 nan 8.370 nan 0.000 0.479 592 I N 1.540 122.010 120.570 -0.166 0.000 2.842 592 I HA 0.484 4.646 4.170 -0.014 0.000 0.296 592 I C -1.789 174.304 176.117 -0.041 0.000 1.538 592 I CA -0.818 60.398 61.300 -0.140 0.000 0.994 592 I CB 1.342 39.194 38.000 -0.246 0.000 1.372 592 I HN 0.538 nan 8.210 nan 0.000 0.478 593 F N 5.340 125.163 119.950 -0.211 0.000 2.643 593 F HA 0.908 5.427 4.527 -0.013 0.000 0.314 593 F C -1.394 174.255 175.800 -0.252 0.000 1.096 593 F CA -1.101 56.774 58.000 -0.207 0.000 0.953 593 F CB 1.790 40.687 39.000 -0.172 0.000 1.345 593 F HN 0.371 nan 8.300 nan 0.000 0.468 594 M N 2.906 122.364 119.600 -0.238 0.000 2.255 594 M HA 0.571 5.042 4.480 -0.014 0.000 0.275 594 M C -3.218 172.972 176.300 -0.183 0.000 1.050 594 M CA -2.142 52.914 55.300 -0.407 0.000 0.978 594 M CB 2.235 34.630 32.600 -0.341 0.000 1.761 594 M HN 0.320 nan 8.290 nan 0.000 0.479 595 P HA 0.176 nan 4.420 nan 0.000 0.268 595 P C -1.293 175.967 177.300 -0.068 0.000 1.204 595 P CA -0.009 63.032 63.100 -0.098 0.000 0.768 595 P CB 0.533 32.156 31.700 -0.129 0.000 0.842 596 Q N 1.919 121.702 119.800 -0.029 0.000 2.368 596 Q HA 0.123 4.455 4.340 -0.014 0.000 0.237 596 Q C -0.073 175.896 176.000 -0.052 0.000 0.987 596 Q CA -0.057 55.718 55.803 -0.046 0.000 0.896 596 Q CB 0.329 29.046 28.738 -0.035 0.000 1.241 596 Q HN 0.386 nan 8.270 nan 0.000 0.485 597 D N 0.098 120.417 120.400 -0.136 0.000 2.423 597 D HA -0.066 4.566 4.640 -0.014 0.000 0.238 597 D C 0.574 176.656 176.300 -0.364 0.000 1.142 597 D CA 0.259 53.981 54.000 -0.464 0.000 0.884 597 D CB 1.278 41.205 40.800 -1.455 0.000 1.199 597 D HN 0.611 nan 8.370 nan 0.000 0.438 598 S N 1.843 117.455 115.700 -0.146 0.000 2.440 598 S HA -0.168 4.294 4.470 -0.014 0.000 0.238 598 S C 1.359 176.036 174.600 0.129 0.000 1.010 598 S CA 0.958 59.205 58.200 0.078 0.000 0.972 598 S CB -0.217 63.120 63.200 0.227 0.000 0.774 598 S HN 0.636 nan 8.310 nan 0.000 0.501 599 W N -0.425 120.831 121.300 -0.074 0.000 3.405 599 W HA 0.447 5.100 4.660 -0.012 0.000 0.300 599 W C -0.584 175.846 176.519 -0.149 0.000 1.286 599 W CA -0.881 56.403 57.345 -0.101 0.000 1.762 599 W CB -0.699 28.684 29.460 -0.129 0.000 1.087 599 W HN 0.080 nan 8.180 nan 0.000 0.703 600 Y N 3.292 123.503 120.300 -0.149 0.000 2.849 600 Y HA 0.398 4.941 4.550 -0.013 0.000 0.356 600 Y C 0.514 176.444 175.900 0.051 0.000 1.236 600 Y CA -1.554 56.431 58.100 -0.192 0.000 1.508 600 Y CB -0.452 37.746 38.460 -0.436 0.000 1.619 600 Y HN -0.033 nan 8.280 nan 0.000 0.513 601 R N 0.090 120.799 120.500 0.349 0.000 2.674 601 R HA 0.438 4.770 4.340 -0.014 0.000 0.266 601 R C -0.472 175.945 176.300 0.195 0.000 1.016 601 R CA -0.974 55.258 56.100 0.220 0.000 1.062 601 R CB 0.932 31.331 30.300 0.166 0.000 1.142 601 R HN 0.302 nan 8.270 nan 0.000 0.517 602 D N -0.471 119.970 120.400 0.068 0.000 2.549 602 D HA 0.145 4.777 4.640 -0.014 0.000 0.270 602 D C 0.495 176.689 176.300 -0.176 0.000 1.181 602 D CA -0.808 53.172 54.000 -0.035 0.000 1.070 602 D CB 0.356 41.138 40.800 -0.031 0.000 1.154 602 D HN 0.222 nan 8.370 nan 0.000 0.602 603 S N -0.927 114.577 115.700 -0.326 0.000 2.389 603 S HA -0.181 4.280 4.470 -0.014 0.000 0.231 603 S C 1.762 176.187 174.600 -0.291 0.000 1.052 603 S CA 1.758 59.631 58.200 -0.544 0.000 1.053 603 S CB -0.508 62.455 63.200 -0.395 0.000 0.886 603 S HN 0.527 nan 8.310 nan 0.000 0.456 604 S N 0.892 116.507 115.700 -0.143 0.000 2.603 604 S HA 0.099 4.561 4.470 -0.014 0.000 0.220 604 S C 0.670 175.250 174.600 -0.034 0.000 0.967 604 S CA 0.214 58.375 58.200 -0.064 0.000 0.920 604 S CB -0.325 62.855 63.200 -0.033 0.000 0.773 604 S HN 0.637 nan 8.310 nan 0.000 0.529 605 N N 1.217 119.892 118.700 -0.041 0.000 2.783 605 N HA -0.173 4.559 4.740 -0.014 0.000 0.247 605 N C -0.791 174.738 175.510 0.032 0.000 1.089 605 N CA 0.616 53.673 53.050 0.012 0.000 0.690 605 N CB -1.269 37.236 38.487 0.030 0.000 0.991 605 N HN 0.362 nan 8.380 nan 0.000 0.552 606 K N 0.550 120.966 120.400 0.025 0.000 2.274 606 K HA 0.429 4.741 4.320 -0.014 0.000 0.262 606 K C -0.343 176.288 176.600 0.052 0.000 0.961 606 K CA -0.932 55.375 56.287 0.034 0.000 0.833 606 K CB 1.050 33.560 32.500 0.017 0.000 1.102 606 K HN 0.241 nan 8.250 nan 0.000 0.436 607 L N 4.715 125.975 121.223 0.061 0.000 2.525 607 L HA 0.050 4.382 4.340 -0.014 0.000 0.278 607 L C -0.461 176.441 176.870 0.052 0.000 1.218 607 L CA 0.452 55.335 54.840 0.071 0.000 0.878 607 L CB 0.228 42.328 42.059 0.067 0.000 1.127 607 L HN 0.590 nan 8.230 nan 0.000 0.492 608 L N 3.953 125.210 121.223 0.056 0.000 2.482 608 L HA 0.074 4.406 4.340 -0.014 0.000 0.273 608 L C 0.679 177.551 176.870 0.002 0.000 1.228 608 L CA -0.030 54.823 54.840 0.023 0.000 0.827 608 L CB 0.516 42.575 42.059 0.001 0.000 1.099 608 L HN 0.702 nan 8.230 nan 0.000 0.494 609 E N 2.783 122.977 120.200 -0.010 0.000 2.383 609 E HA 0.125 4.467 4.350 -0.014 0.000 0.264 609 E C -2.222 174.363 176.600 -0.025 0.000 1.050 609 E CA -1.455 54.935 56.400 -0.017 0.000 0.896 609 E CB 0.589 30.275 29.700 -0.022 0.000 0.982 609 E HN 0.280 nan 8.360 nan 0.000 0.424 610 P HA -0.179 nan 4.420 nan 0.000 0.259 610 P C -0.717 176.583 177.300 -0.000 0.000 1.163 610 P CA 0.458 63.569 63.100 0.018 0.000 0.760 610 P CB 0.313 32.074 31.700 0.102 0.000 0.762 611 D N 3.124 123.501 120.400 -0.039 0.000 2.472 611 D HA -0.004 4.628 4.640 -0.014 0.000 0.248 611 D C -0.038 176.242 176.300 -0.034 0.000 1.174 611 D CA 0.963 54.926 54.000 -0.060 0.000 0.883 611 D CB 0.281 41.015 40.800 -0.110 0.000 1.149 611 D HN 0.335 nan 8.370 nan 0.000 0.488 612 E N 1.234 121.417 120.200 -0.028 0.000 2.356 612 E HA 0.681 5.023 4.350 -0.014 0.000 0.275 612 E C -1.062 175.513 176.600 -0.042 0.000 0.904 612 E CA -1.003 55.394 56.400 -0.005 0.000 0.757 612 E CB 1.770 31.482 29.700 0.019 0.000 1.232 612 E HN 0.438 nan 8.360 nan 0.000 0.442 613 G N 1.920 110.671 108.800 -0.081 0.000 2.719 613 G HA2 0.460 4.412 3.960 -0.014 0.000 0.298 613 G HA3 0.460 4.412 3.960 -0.014 0.000 0.298 613 G C -1.680 173.134 174.900 -0.143 0.000 1.411 613 G CA -0.597 44.445 45.100 -0.097 0.000 0.991 613 G HN 0.279 nan 8.290 nan 0.000 0.509 614 Q N 0.433 120.170 119.800 -0.104 0.000 2.341 614 Q HA 0.342 4.674 4.340 -0.014 0.000 0.268 614 Q C -0.309 175.498 176.000 -0.321 0.000 1.013 614 Q CA -0.660 54.940 55.803 -0.338 0.000 0.798 614 Q CB 1.993 30.479 28.738 -0.420 0.000 1.253 614 Q HN 0.642 nan 8.270 nan 0.000 0.457 615 N N 1.791 120.254 118.700 -0.396 0.000 2.422 615 N HA 0.232 4.964 4.740 -0.014 0.000 0.264 615 N C -1.489 173.806 175.510 -0.358 0.000 1.063 615 N CA -0.168 52.743 53.050 -0.233 0.000 0.959 615 N CB 0.476 38.846 38.487 -0.195 0.000 1.087 615 N HN 0.396 nan 8.380 nan 0.000 0.483 616 Y N 1.713 121.999 120.300 -0.024 0.000 2.331 616 Y HA 0.343 4.885 4.550 -0.014 0.000 0.338 616 Y C 0.090 176.035 175.900 0.074 0.000 0.992 616 Y CA -0.669 57.447 58.100 0.027 0.000 1.121 616 Y CB 1.381 39.846 38.460 0.008 0.000 1.184 616 Y HN 0.495 nan 8.280 nan 0.000 0.469 617 E N 4.084 124.398 120.200 0.189 0.000 2.278 617 E HA 0.528 4.870 4.350 -0.014 0.000 0.272 617 E C -1.823 174.825 176.600 0.079 0.000 0.890 617 E CA -0.494 56.008 56.400 0.171 0.000 0.770 617 E CB 1.680 31.484 29.700 0.174 0.000 1.212 617 E HN 0.664 nan 8.360 nan 0.000 0.415 618 I N 3.175 123.771 120.570 0.043 0.000 2.646 618 I HA 0.829 4.991 4.170 -0.014 0.000 0.299 618 I C -0.320 175.639 176.117 -0.264 0.000 1.036 618 I CA -0.368 60.853 61.300 -0.132 0.000 1.074 618 I CB 1.936 39.929 38.000 -0.012 0.000 1.258 618 I HN 0.744 nan 8.210 nan 0.000 0.430 619 G N 6.162 114.635 108.800 -0.545 0.000 2.451 619 G HA2 0.406 4.358 3.960 -0.014 0.000 0.292 619 G HA3 0.406 4.358 3.960 -0.014 0.000 0.292 619 G C -2.270 172.514 174.900 -0.193 0.000 1.427 619 G CA -0.560 44.289 45.100 -0.419 0.000 0.792 619 G HN 0.650 nan 8.290 nan 0.000 0.498 620 I N -0.341 120.307 120.570 0.131 0.000 2.533 620 I HA 0.732 4.893 4.170 -0.014 0.000 0.290 620 I C -1.043 175.282 176.117 0.347 0.000 1.056 620 I CA -0.994 60.450 61.300 0.239 0.000 1.057 620 I CB 1.855 39.950 38.000 0.158 0.000 1.240 620 I HN 0.451 nan 8.210 nan 0.000 0.423 621 K N 5.038 125.638 120.400 0.334 0.000 2.259 621 K HA 0.750 5.062 4.320 -0.014 0.000 0.249 621 K C -0.545 176.124 176.600 0.115 0.000 0.942 621 K CA -0.750 55.669 56.287 0.219 0.000 0.816 621 K CB 2.198 34.770 32.500 0.120 0.000 1.155 621 K HN 0.757 nan 8.250 nan 0.000 0.428 622 G N 0.904 109.705 108.800 0.001 0.000 2.524 622 G HA2 0.469 4.421 3.960 -0.014 0.000 0.310 622 G HA3 0.469 4.421 3.960 -0.014 0.000 0.310 622 G C -1.510 173.067 174.900 -0.537 0.000 1.279 622 G CA -0.286 44.528 45.100 -0.477 0.000 0.974 622 G HN 0.553 nan 8.290 nan 0.000 0.484 623 E N -0.031 119.609 120.200 -0.935 0.000 2.292 623 E HA 0.637 4.979 4.350 -0.014 0.000 0.272 623 E C -1.587 174.549 176.600 -0.772 0.000 0.881 623 E CA -0.692 55.355 56.400 -0.588 0.000 0.754 623 E CB 1.913 31.433 29.700 -0.299 0.000 1.201 623 E HN 0.473 nan 8.360 nan 0.000 0.425 624 Y N 1.768 122.002 120.300 -0.109 0.000 2.644 624 Y HA 0.359 4.900 4.550 -0.014 0.000 0.338 624 Y C 0.011 175.881 175.900 -0.050 0.000 1.119 624 Y CA -1.286 56.762 58.100 -0.088 0.000 1.060 624 Y CB 1.062 39.472 38.460 -0.082 0.000 1.294 624 Y HN 0.489 nan 8.280 nan 0.000 0.472 625 L N 1.737 123.043 121.223 0.139 0.000 3.854 625 L HA -0.301 4.030 4.340 -0.014 0.000 0.460 625 L C -0.205 176.698 176.870 0.054 0.000 1.228 625 L CA 1.166 56.054 54.840 0.080 0.000 0.760 625 L CB -1.282 40.821 42.059 0.073 0.000 1.597 625 L HN 0.900 nan 8.230 nan 0.000 0.852 626 D N 0.553 120.972 120.400 0.031 0.000 2.723 626 D HA -0.163 4.469 4.640 -0.014 0.000 0.236 626 D C 1.237 177.548 176.300 0.018 0.000 1.138 626 D CA 2.102 56.112 54.000 0.017 0.000 0.676 626 D CB -0.919 39.899 40.800 0.029 0.000 1.069 626 D HN 1.024 nan 8.370 nan 0.000 0.430 627 G N -0.290 108.518 108.800 0.013 0.000 2.148 627 G HA2 -0.432 3.520 3.960 -0.014 0.000 0.254 627 G HA3 -0.432 3.520 3.960 -0.014 0.000 0.254 627 G C 1.073 175.998 174.900 0.041 0.000 0.981 627 G CA 0.756 45.866 45.100 0.017 0.000 0.670 627 G HN 0.573 nan 8.290 nan 0.000 0.528 628 R N -1.207 119.324 120.500 0.052 0.000 2.236 628 R HA 0.437 4.769 4.340 -0.014 0.000 0.208 628 R C 0.824 177.156 176.300 0.053 0.000 1.036 628 R CA 1.050 57.180 56.100 0.050 0.000 1.001 628 R CB 0.089 30.416 30.300 0.045 0.000 0.896 628 R HN 0.524 nan 8.270 nan 0.000 0.464 629 L N -0.458 120.818 121.223 0.089 0.000 2.422 629 L HA 0.422 4.754 4.340 -0.014 0.000 0.264 629 L C -1.759 175.249 176.870 0.230 0.000 0.984 629 L CA -0.504 54.400 54.840 0.107 0.000 0.819 629 L CB 2.353 44.425 42.059 0.022 0.000 1.330 629 L HN -0.104 nan 8.230 nan 0.000 0.410 630 N N 1.099 119.903 118.700 0.173 0.000 2.249 630 N HA 0.818 5.550 4.740 -0.014 0.000 0.296 630 N C -1.576 174.050 175.510 0.194 0.000 1.051 630 N CA -0.608 52.542 53.050 0.167 0.000 0.815 630 N CB 2.226 40.760 38.487 0.079 0.000 1.487 630 N HN 0.745 nan 8.380 nan 0.000 0.475 631 T N -1.516 113.185 114.554 0.245 0.000 2.893 631 T HA 0.763 5.105 4.350 -0.014 0.000 0.293 631 T C -0.751 174.064 174.700 0.193 0.000 1.027 631 T CA -0.841 61.397 62.100 0.230 0.000 0.988 631 T CB 1.394 70.465 68.868 0.339 0.000 1.043 631 T HN 0.379 nan 8.240 nan 0.000 0.461 632 S N 2.413 118.222 115.700 0.183 0.000 2.548 632 S HA 0.713 5.175 4.470 -0.014 0.000 0.276 632 S C -1.375 173.359 174.600 0.224 0.000 1.129 632 S CA -0.964 57.360 58.200 0.207 0.000 0.931 632 S CB 1.718 65.018 63.200 0.167 0.000 1.068 632 S HN 1.054 nan 8.310 nan 0.000 0.480 633 L N 2.695 124.068 121.223 0.249 0.000 2.372 633 L HA 0.940 5.272 4.340 -0.014 0.000 0.274 633 L C -0.562 176.459 176.870 0.251 0.000 0.988 633 L CA -0.510 54.469 54.840 0.232 0.000 0.833 633 L CB 0.978 43.141 42.059 0.172 0.000 1.236 633 L HN 1.181 nan 8.230 nan 0.000 0.410 634 A N 4.280 127.279 122.820 0.298 0.000 2.454 634 A HA 0.739 5.051 4.320 -0.014 0.000 0.302 634 A C -2.148 175.658 177.584 0.369 0.000 1.079 634 A CA -0.511 51.710 52.037 0.308 0.000 0.731 634 A CB 1.300 20.526 19.000 0.376 0.000 1.299 634 A HN 0.735 nan 8.150 nan 0.000 0.413 635 Y N 1.626 122.030 120.300 0.175 0.000 2.350 635 Y HA 0.651 5.193 4.550 -0.013 0.000 0.338 635 Y C -1.218 174.779 175.900 0.162 0.000 0.961 635 Y CA -1.381 56.790 58.100 0.119 0.000 1.100 635 Y CB 1.288 39.764 38.460 0.028 0.000 1.179 635 Y HN 0.757 nan 8.280 nan 0.000 0.454 636 F N 2.705 122.377 119.950 -0.463 0.000 2.588 636 F HA 0.799 5.318 4.527 -0.013 0.000 0.314 636 F C -1.331 174.239 175.800 -0.383 0.000 1.069 636 F CA -1.222 56.623 58.000 -0.259 0.000 0.931 636 F CB 1.877 40.820 39.000 -0.095 0.000 1.260 636 F HN 0.467 nan 8.300 nan 0.000 0.465 637 E N 2.283 122.545 120.200 0.104 0.000 2.314 637 E HA 0.639 4.981 4.350 -0.014 0.000 0.272 637 E C -1.771 175.038 176.600 0.349 0.000 0.884 637 E CA -0.830 55.666 56.400 0.160 0.000 0.753 637 E CB 2.479 32.278 29.700 0.164 0.000 1.213 637 E HN 0.777 nan 8.360 nan 0.000 0.432 638 I N 3.484 124.285 120.570 0.385 0.000 2.389 638 I HA 0.256 4.418 4.170 -0.014 0.000 0.288 638 I C -0.613 175.808 176.117 0.506 0.000 0.999 638 I CA -0.589 60.938 61.300 0.379 0.000 1.129 638 I CB 1.420 39.632 38.000 0.354 0.000 1.288 638 I HN 0.474 nan 8.210 nan 0.000 0.444 639 H N 5.874 125.077 119.070 0.223 0.000 2.661 639 H HA 0.261 4.809 4.556 -0.014 0.000 0.290 639 H C -0.503 174.903 175.328 0.130 0.000 1.082 639 H CA -0.474 55.690 56.048 0.194 0.000 1.234 639 H CB 1.285 31.209 29.762 0.269 0.000 1.387 639 H HN 0.557 nan 8.280 nan 0.000 0.476 640 E N 3.578 123.910 120.200 0.219 0.000 2.313 640 E HA 0.077 4.419 4.350 -0.014 0.000 0.272 640 E C -0.481 176.175 176.600 0.094 0.000 1.038 640 E CA -0.711 55.778 56.400 0.149 0.000 0.863 640 E CB 0.906 30.736 29.700 0.216 0.000 1.060 640 E HN 0.654 nan 8.360 nan 0.000 0.402 641 E N 3.323 123.558 120.200 0.059 0.000 2.356 641 E HA 0.235 4.576 4.350 -0.014 0.000 0.275 641 E C -0.641 175.963 176.600 0.007 0.000 0.904 641 E CA -0.935 55.486 56.400 0.035 0.000 0.757 641 E CB 1.069 30.794 29.700 0.042 0.000 1.232 641 E HN 0.621 nan 8.360 nan 0.000 0.442 642 N N 0.837 119.533 118.700 -0.007 0.000 2.776 642 N HA -0.209 4.523 4.740 -0.014 0.000 0.249 642 N C -0.232 175.241 175.510 -0.061 0.000 1.111 642 N CA 1.006 54.037 53.050 -0.032 0.000 0.711 642 N CB -1.186 37.279 38.487 -0.036 0.000 1.065 642 N HN 0.720 nan 8.380 nan 0.000 0.556 643 R N 0.881 121.357 120.500 -0.039 0.000 2.399 643 R HA 0.376 4.708 4.340 -0.014 0.000 0.324 643 R C 0.426 176.658 176.300 -0.113 0.000 1.030 643 R CA 0.184 56.249 56.100 -0.058 0.000 0.984 643 R CB 0.266 30.570 30.300 0.006 0.000 0.961 643 R HN 0.203 nan 8.270 nan 0.000 0.433 644 A N 4.784 127.453 122.820 -0.253 0.000 2.573 644 A HA -0.018 4.294 4.320 -0.014 0.000 0.250 644 A C -0.146 177.342 177.584 -0.161 0.000 1.049 644 A CA 0.574 52.386 52.037 -0.375 0.000 0.767 644 A CB 0.125 18.478 19.000 -1.077 0.000 0.965 644 A HN 0.857 nan 8.150 nan 0.000 0.514 645 E N 1.715 121.931 120.200 0.028 0.000 2.263 645 E HA 0.090 4.432 4.350 -0.014 0.000 0.268 645 E C 0.653 177.410 176.600 0.262 0.000 0.884 645 E CA -0.534 55.949 56.400 0.138 0.000 0.766 645 E CB 1.290 31.023 29.700 0.055 0.000 1.196 645 E HN 0.906 nan 8.360 nan 0.000 0.416 646 E N 2.621 123.007 120.200 0.309 0.000 2.276 646 E HA -0.344 3.998 4.350 -0.014 0.000 0.226 646 E C -0.292 176.154 176.600 -0.257 0.000 1.090 646 E CA 2.162 58.543 56.400 -0.032 0.000 0.930 646 E CB 0.016 29.725 29.700 0.015 0.000 0.791 646 E HN 0.730 nan 8.360 nan 0.000 0.467 647 D N -1.922 118.422 120.400 -0.094 0.000 3.916 647 D HA -0.148 4.484 4.640 -0.014 0.000 0.250 647 D C 0.090 176.341 176.300 -0.083 0.000 1.058 647 D CA 0.769 54.719 54.000 -0.083 0.000 1.130 647 D CB -1.019 39.724 40.800 -0.096 0.000 0.913 647 D HN 0.303 nan 8.370 nan 0.000 0.418 648 A N 3.568 126.365 122.820 -0.039 0.000 1.878 648 A HA 0.039 4.351 4.320 -0.014 0.000 0.213 648 A C 2.613 180.190 177.584 -0.012 0.000 1.192 648 A CA 1.073 53.092 52.037 -0.029 0.000 0.619 648 A CB -0.398 18.597 19.000 -0.009 0.000 0.837 648 A HN 0.533 nan 8.150 nan 0.000 0.446 649 L N -1.672 119.554 121.223 0.006 0.000 2.034 649 L HA -0.298 4.034 4.340 -0.014 0.000 0.217 649 L C 2.608 179.487 176.870 0.016 0.000 1.077 649 L CA 2.377 57.224 54.840 0.013 0.000 0.769 649 L CB -0.698 41.377 42.059 0.026 0.000 0.890 649 L HN 0.630 nan 8.230 nan 0.000 0.435 650 Y N 1.204 121.468 120.300 -0.059 0.000 2.089 650 Y HA -0.259 4.283 4.550 -0.014 0.000 0.282 650 Y C 2.541 178.401 175.900 -0.066 0.000 1.139 650 Y CA 1.883 59.945 58.100 -0.062 0.000 1.123 650 Y CB -0.332 38.080 38.460 -0.079 0.000 0.980 650 Y HN 0.205 nan 8.280 nan 0.000 0.493 651 N N -0.166 118.488 118.700 -0.076 0.000 2.334 651 N HA -0.205 4.527 4.740 -0.014 0.000 0.187 651 N C 2.008 177.457 175.510 -0.101 0.000 1.016 651 N CA 1.324 54.304 53.050 -0.116 0.000 0.879 651 N CB -0.691 37.704 38.487 -0.153 0.000 0.965 651 N HN 0.314 nan 8.380 nan 0.000 0.438 652 S N -0.036 115.603 115.700 -0.101 0.000 2.441 652 S HA -0.165 4.297 4.470 -0.014 0.000 0.242 652 S C 0.610 175.138 174.600 -0.120 0.000 1.018 652 S CA 1.245 59.396 58.200 -0.082 0.000 0.988 652 S CB 0.013 63.171 63.200 -0.069 0.000 0.778 652 S HN 0.439 nan 8.310 nan 0.000 0.498 653 K N 0.070 120.335 120.400 -0.224 0.000 2.265 653 K HA 0.192 4.504 4.320 -0.014 0.000 0.320 653 K C -3.337 173.008 176.600 -0.426 0.000 1.661 653 K CA -0.790 55.361 56.287 -0.227 0.000 0.952 653 K CB 0.089 32.503 32.500 -0.144 0.000 1.415 653 K HN -0.168 nan 8.250 nan 0.000 0.449 654 P HA -0.082 nan 4.420 nan 0.000 0.255 654 P C -0.252 176.905 177.300 -0.237 0.000 1.151 654 P CA 0.610 63.381 63.100 -0.549 0.000 0.767 654 P CB 0.803 32.400 31.700 -0.171 0.000 0.736 655 T N 0.493 114.984 114.554 -0.104 0.000 2.999 655 T HA 0.033 4.375 4.350 -0.014 0.000 0.247 655 T C 0.737 175.526 174.700 0.149 0.000 1.012 655 T CA 0.145 62.282 62.100 0.062 0.000 1.048 655 T CB -0.094 68.824 68.868 0.084 0.000 1.020 655 T HN 0.295 nan 8.240 nan 0.000 0.478 656 N N 3.022 121.887 118.700 0.275 0.000 2.411 656 N HA 0.165 4.897 4.740 -0.014 0.000 0.259 656 N C -2.137 173.473 175.510 0.167 0.000 1.103 656 N CA -1.959 51.200 53.050 0.183 0.000 0.954 656 N CB 1.716 40.293 38.487 0.150 0.000 1.085 656 N HN 0.018 nan 8.380 nan 0.000 0.485 657 P HA 0.062 nan 4.420 nan 0.000 0.236 657 P C 0.704 178.059 177.300 0.091 0.000 1.177 657 P CA 0.334 63.486 63.100 0.088 0.000 0.773 657 P CB 0.227 31.963 31.700 0.060 0.000 0.878 658 A N -0.074 122.800 122.820 0.090 0.000 1.902 658 A HA -0.048 4.263 4.320 -0.014 0.000 0.217 658 A C 1.121 178.763 177.584 0.097 0.000 1.181 658 A CA 1.289 53.374 52.037 0.080 0.000 0.623 658 A CB -1.088 17.950 19.000 0.063 0.000 0.818 658 A HN 0.253 nan 8.150 nan 0.000 0.443 659 I N -5.126 115.518 120.570 0.125 0.000 2.910 659 I HA 0.593 4.755 4.170 -0.014 0.000 0.310 659 I C 0.783 177.037 176.117 0.228 0.000 1.043 659 I CA -0.269 61.124 61.300 0.154 0.000 1.053 659 I CB 1.861 39.929 38.000 0.114 0.000 1.242 659 I HN -0.124 nan 8.210 nan 0.000 0.452 660 T N 0.308 115.003 114.554 0.234 0.000 2.989 660 T HA 0.233 4.575 4.350 -0.014 0.000 0.250 660 T C -1.034 173.845 174.700 0.298 0.000 0.981 660 T CA 0.500 62.728 62.100 0.214 0.000 0.980 660 T CB 0.106 69.055 68.868 0.134 0.000 1.133 660 T HN 0.519 nan 8.240 nan 0.000 0.489 661 Y N 1.979 122.360 120.300 0.134 0.000 2.400 661 Y HA 0.681 5.223 4.550 -0.013 0.000 0.335 661 Y C -0.550 175.332 175.900 -0.031 0.000 1.066 661 Y CA -1.344 56.788 58.100 0.054 0.000 1.285 661 Y CB 0.570 39.023 38.460 -0.011 0.000 1.103 661 Y HN 0.179 nan 8.280 nan 0.000 0.490 662 A N 4.383 127.093 122.820 -0.182 0.000 2.282 662 A HA 0.738 5.050 4.320 -0.014 0.000 0.319 662 A C -1.661 175.620 177.584 -0.507 0.000 1.121 662 A CA -0.283 51.607 52.037 -0.244 0.000 0.836 662 A CB 0.573 19.370 19.000 -0.339 0.000 1.146 662 A HN 0.713 nan 8.150 nan 0.000 0.494 663 Y N -0.084 120.201 120.300 -0.027 0.000 2.631 663 Y HA 0.662 5.203 4.550 -0.014 0.000 0.328 663 Y C 0.376 176.252 175.900 -0.039 0.000 1.118 663 Y CA -0.556 57.539 58.100 -0.008 0.000 1.206 663 Y CB 1.645 40.182 38.460 0.129 0.000 1.337 663 Y HN 0.670 nan 8.280 nan 0.000 0.515 664 K N -0.192 120.292 120.400 0.140 0.000 2.427 664 K HA 0.622 4.934 4.320 -0.014 0.000 0.252 664 K C -0.716 175.905 176.600 0.035 0.000 0.931 664 K CA -0.743 55.573 56.287 0.048 0.000 0.793 664 K CB 1.597 34.109 32.500 0.019 0.000 1.211 664 K HN 0.893 nan 8.250 nan 0.000 0.426 665 G N 5.138 113.940 108.800 0.004 0.000 2.393 665 G HA2 0.408 4.360 3.960 -0.014 0.000 0.311 665 G HA3 0.408 4.360 3.960 -0.014 0.000 0.311 665 G C 0.074 174.966 174.900 -0.013 0.000 1.067 665 G CA -0.554 44.533 45.100 -0.022 0.000 1.000 665 G HN 0.639 nan 8.290 nan 0.000 0.422 666 I N -0.957 119.605 120.570 -0.014 0.000 3.501 666 I HA 0.719 4.880 4.170 -0.014 0.000 0.297 666 I C -0.101 176.014 176.117 -0.003 0.000 1.199 666 I CA -1.428 59.868 61.300 -0.007 0.000 0.987 666 I CB 1.652 39.648 38.000 -0.006 0.000 1.365 666 I HN 0.099 nan 8.210 nan 0.000 0.574 667 K N 0.868 121.267 120.400 -0.001 0.000 2.166 667 K HA 0.846 5.158 4.320 -0.014 0.000 0.245 667 K C -1.059 175.542 176.600 0.003 0.000 0.967 667 K CA -0.954 55.336 56.287 0.005 0.000 0.863 667 K CB 2.027 34.523 32.500 -0.007 0.000 1.107 667 K HN 0.851 nan 8.250 nan 0.000 0.436 668 A N 1.541 124.373 122.820 0.019 0.000 2.604 668 A HA 0.524 4.836 4.320 -0.014 0.000 0.295 668 A C -1.695 175.908 177.584 0.033 0.000 1.067 668 A CA -0.713 51.332 52.037 0.013 0.000 0.683 668 A CB 1.728 20.742 19.000 0.023 0.000 1.281 668 A HN 0.600 nan 8.150 nan 0.000 0.407 669 K N 0.894 121.294 120.400 -0.001 0.000 2.482 669 K HA 0.646 4.957 4.320 -0.014 0.000 0.251 669 K C -1.425 175.195 176.600 0.033 0.000 0.936 669 K CA -0.225 56.073 56.287 0.019 0.000 0.791 669 K CB 2.018 34.470 32.500 -0.079 0.000 1.213 669 K HN 0.703 nan 8.250 nan 0.000 0.428 670 T N 3.815 118.438 114.554 0.116 0.000 2.779 670 T HA 0.397 4.739 4.350 -0.014 0.000 0.280 670 T C -0.975 173.768 174.700 0.071 0.000 0.987 670 T CA -0.626 61.522 62.100 0.081 0.000 0.966 670 T CB 1.111 70.085 68.868 0.175 0.000 0.933 670 T HN 0.408 nan 8.240 nan 0.000 0.442 671 K N 1.552 121.928 120.400 -0.040 0.000 2.378 671 K HA 0.790 5.101 4.320 -0.014 0.000 0.252 671 K C -0.074 176.332 176.600 -0.324 0.000 0.931 671 K CA -0.790 55.396 56.287 -0.169 0.000 0.794 671 K CB 2.362 34.863 32.500 0.002 0.000 1.181 671 K HN 0.825 nan 8.250 nan 0.000 0.425 672 G N 1.193 109.507 108.800 -0.810 0.000 2.342 672 G HA2 0.355 4.307 3.960 -0.014 0.000 0.297 672 G HA3 0.355 4.307 3.960 -0.014 0.000 0.297 672 G C -2.200 172.105 174.900 -0.991 0.000 1.313 672 G CA -0.830 43.867 45.100 -0.671 0.000 0.830 672 G HN 0.525 nan 8.290 nan 0.000 0.506 673 Y N -1.387 118.741 120.300 -0.287 0.000 2.605 673 Y HA 0.894 5.436 4.550 -0.013 0.000 0.343 673 Y C -0.531 175.560 175.900 0.318 0.000 1.036 673 Y CA -1.265 56.843 58.100 0.014 0.000 1.065 673 Y CB 2.345 40.907 38.460 0.170 0.000 1.288 673 Y HN 0.709 nan 8.280 nan 0.000 0.481 674 E N 1.313 121.803 120.200 0.483 0.000 2.290 674 E HA 0.745 5.086 4.350 -0.014 0.000 0.274 674 E C -1.905 174.905 176.600 0.351 0.000 0.889 674 E CA -1.084 55.540 56.400 0.374 0.000 0.760 674 E CB 1.971 31.860 29.700 0.315 0.000 1.206 674 E HN 1.039 nan 8.360 nan 0.000 0.419 675 A N 4.242 127.260 122.820 0.329 0.000 2.343 675 A HA 0.649 4.961 4.320 -0.014 0.000 0.316 675 A C -0.905 176.797 177.584 0.198 0.000 1.104 675 A CA -0.643 51.546 52.037 0.254 0.000 0.768 675 A CB 1.045 20.185 19.000 0.233 0.000 1.213 675 A HN 0.664 nan 8.150 nan 0.000 0.456 676 E N 1.610 121.904 120.200 0.156 0.000 2.410 676 E HA 0.768 5.110 4.350 -0.014 0.000 0.269 676 E C -1.378 175.282 176.600 0.100 0.000 0.937 676 E CA -0.751 55.717 56.400 0.114 0.000 0.793 676 E CB 2.469 32.220 29.700 0.084 0.000 1.314 676 E HN 0.543 nan 8.360 nan 0.000 0.447 677 I N 0.814 121.427 120.570 0.072 0.000 2.752 677 I HA 0.363 4.525 4.170 -0.014 0.000 0.295 677 I C -1.790 174.354 176.117 0.046 0.000 1.219 677 I CA -0.377 60.954 61.300 0.052 0.000 1.030 677 I CB 2.045 40.051 38.000 0.010 0.000 1.259 677 I HN 0.797 nan 8.210 nan 0.000 0.423 678 S N 4.758 120.487 115.700 0.050 0.000 2.572 678 S HA 0.980 5.442 4.470 -0.014 0.000 0.274 678 S C -0.420 174.213 174.600 0.055 0.000 1.150 678 S CA 0.004 58.248 58.200 0.073 0.000 0.944 678 S CB 1.750 65.006 63.200 0.094 0.000 1.071 678 S HN 1.508 nan 8.310 nan 0.000 0.479 679 G N 1.745 110.572 108.800 0.044 0.000 2.225 679 G HA2 0.101 4.052 3.960 -0.014 0.000 0.203 679 G HA3 0.101 4.052 3.960 -0.014 0.000 0.203 679 G C -1.348 173.506 174.900 -0.077 0.000 1.335 679 G CA -0.361 44.741 45.100 0.004 0.000 1.183 679 G HN 1.008 nan 8.290 nan 0.000 0.488 680 E N 0.600 120.762 120.200 -0.063 0.000 2.130 680 E HA 0.552 4.894 4.350 -0.014 0.000 0.284 680 E C 0.834 177.362 176.600 -0.121 0.000 1.018 680 E CA -0.569 55.788 56.400 -0.071 0.000 0.817 680 E CB 0.691 30.383 29.700 -0.014 0.000 1.078 680 E HN 0.404 nan 8.360 nan 0.000 0.396 681 L N 3.180 124.280 121.223 -0.205 0.000 2.298 681 L HA 0.320 4.652 4.340 -0.014 0.000 0.209 681 L C 0.694 177.519 176.870 -0.076 0.000 1.084 681 L CA 0.518 55.182 54.840 -0.294 0.000 0.816 681 L CB 0.243 41.848 42.059 -0.756 0.000 0.967 681 L HN 0.588 nan 8.230 nan 0.000 0.460 682 A N -1.881 120.998 122.820 0.098 0.000 2.588 682 A HA 0.496 4.808 4.320 -0.014 0.000 0.290 682 A C -2.284 175.415 177.584 0.192 0.000 1.136 682 A CA -0.877 51.273 52.037 0.190 0.000 0.681 682 A CB 0.356 19.550 19.000 0.323 0.000 1.282 682 A HN -0.214 nan 8.150 nan 0.000 0.421 683 P HA -0.185 nan 4.420 nan 0.000 0.214 683 P C 1.152 178.536 177.300 0.140 0.000 1.164 683 P CA 2.687 65.862 63.100 0.125 0.000 0.942 683 P CB 0.171 31.927 31.700 0.094 0.000 0.791 684 G N -3.370 105.549 108.800 0.199 0.000 3.814 684 G HA2 0.144 4.096 3.960 -0.014 0.000 0.293 684 G HA3 0.144 4.096 3.960 -0.014 0.000 0.293 684 G C -1.136 173.937 174.900 0.289 0.000 1.243 684 G CA -0.132 45.030 45.100 0.103 0.000 1.053 684 G HN 0.143 nan 8.290 nan 0.000 0.562 685 W N 1.576 122.948 121.300 0.121 0.000 2.543 685 W HA 0.514 5.165 4.660 -0.014 0.000 0.318 685 W C -0.846 175.661 176.519 -0.019 0.000 1.002 685 W CA -1.530 55.892 57.345 0.129 0.000 1.302 685 W CB 1.102 30.580 29.460 0.031 0.000 1.299 685 W HN -0.057 nan 8.180 nan 0.000 0.424 686 Q N 4.119 123.958 119.800 0.066 0.000 2.245 686 Q HA 0.640 4.972 4.340 -0.014 0.000 0.256 686 Q C -0.263 175.635 176.000 -0.170 0.000 0.942 686 Q CA -0.658 54.999 55.803 -0.244 0.000 0.896 686 Q CB 2.648 30.965 28.738 -0.703 0.000 1.272 686 Q HN 0.383 nan 8.270 nan 0.000 0.442 687 V N -0.555 119.287 119.914 -0.121 0.000 3.074 687 V HA 0.643 4.755 4.120 -0.014 0.000 0.314 687 V C -0.752 175.491 176.094 0.248 0.000 1.117 687 V CA -1.063 61.287 62.300 0.084 0.000 1.014 687 V CB 2.190 33.958 31.823 -0.091 0.000 1.057 687 V HN 0.753 nan 8.190 nan 0.000 0.438 688 Q N 0.674 120.636 119.800 0.270 0.000 2.285 688 Q HA 0.795 5.127 4.340 -0.014 0.000 0.269 688 Q C -1.199 174.855 176.000 0.092 0.000 1.030 688 Q CA -0.474 55.425 55.803 0.159 0.000 0.788 688 Q CB 2.146 30.966 28.738 0.137 0.000 1.266 688 Q HN 1.398 nan 8.270 nan 0.000 0.438 689 A N 2.095 124.950 122.820 0.057 0.000 2.549 689 A HA 0.955 5.267 4.320 -0.014 0.000 0.297 689 A C -1.078 176.540 177.584 0.056 0.000 1.061 689 A CA -0.075 51.984 52.037 0.037 0.000 0.690 689 A CB 2.007 21.018 19.000 0.019 0.000 1.287 689 A HN 0.760 nan 8.150 nan 0.000 0.402 690 G N -0.887 107.949 108.800 0.060 0.000 2.690 690 G HA2 0.595 4.547 3.960 -0.014 0.000 0.291 690 G HA3 0.595 4.547 3.960 -0.014 0.000 0.291 690 G C -2.090 172.890 174.900 0.134 0.000 1.403 690 G CA -0.439 44.714 45.100 0.089 0.000 0.864 690 G HN 1.216 nan 8.290 nan 0.000 0.480 691 Y N 0.774 121.108 120.300 0.057 0.000 2.331 691 Y HA 0.596 5.138 4.550 -0.013 0.000 0.326 691 Y C -0.592 175.332 175.900 0.039 0.000 1.020 691 Y CA -0.497 57.641 58.100 0.064 0.000 1.136 691 Y CB 2.093 40.615 38.460 0.103 0.000 1.157 691 Y HN 0.551 nan 8.280 nan 0.000 0.444 692 T N 4.989 119.364 114.554 -0.298 0.000 2.824 692 T HA 0.231 4.573 4.350 -0.014 0.000 0.282 692 T C -1.660 172.890 174.700 -0.251 0.000 0.993 692 T CA -0.520 61.497 62.100 -0.139 0.000 0.967 692 T CB 0.785 69.601 68.868 -0.087 0.000 0.960 692 T HN 0.642 nan 8.240 nan 0.000 0.441 693 H N 2.484 121.352 119.070 -0.336 0.000 2.469 693 H HA 0.687 5.235 4.556 -0.013 0.000 0.342 693 H C -0.645 174.541 175.328 -0.236 0.000 1.115 693 H CA -0.656 55.180 56.048 -0.354 0.000 1.204 693 H CB 0.797 30.143 29.762 -0.693 0.000 1.492 693 H HN 0.616 nan 8.280 nan 0.000 0.499 694 K N 3.857 123.749 120.400 -0.846 0.000 2.546 694 K HA 0.503 4.815 4.320 -0.014 0.000 0.264 694 K C -1.982 174.290 176.600 -0.547 0.000 0.937 694 K CA -0.637 55.310 56.287 -0.566 0.000 0.833 694 K CB 1.337 33.714 32.500 -0.206 0.000 1.378 694 K HN 0.462 nan 8.250 nan 0.000 0.432 695 I N 2.630 123.019 120.570 -0.302 0.000 2.545 695 I HA 0.492 4.654 4.170 -0.014 0.000 0.292 695 I C -0.911 175.127 176.117 -0.132 0.000 1.040 695 I CA -1.111 60.084 61.300 -0.176 0.000 1.068 695 I CB 1.984 39.943 38.000 -0.068 0.000 1.251 695 I HN 0.708 nan 8.210 nan 0.000 0.424 696 I N 6.281 126.754 120.570 -0.162 0.000 2.418 696 I HA 0.521 4.682 4.170 -0.014 0.000 0.287 696 I C -0.760 175.279 176.117 -0.130 0.000 1.008 696 I CA -0.340 60.866 61.300 -0.158 0.000 1.104 696 I CB 0.618 38.456 38.000 -0.270 0.000 1.264 696 I HN 0.657 nan 8.210 nan 0.000 0.438 697 R N 4.603 125.054 120.500 -0.083 0.000 2.902 697 R HA 0.598 4.930 4.340 -0.014 0.000 0.258 697 R C -1.309 174.956 176.300 -0.058 0.000 1.071 697 R CA -0.903 55.161 56.100 -0.061 0.000 1.024 697 R CB 1.307 31.587 30.300 -0.033 0.000 1.184 697 R HN 0.590 nan 8.270 nan 0.000 0.492 698 D N -1.079 119.293 120.400 -0.046 0.000 2.666 698 D HA 0.141 4.773 4.640 -0.014 0.000 0.252 698 D C -0.017 176.266 176.300 -0.028 0.000 1.143 698 D CA -0.656 53.323 54.000 -0.035 0.000 1.096 698 D CB 0.225 41.006 40.800 -0.031 0.000 1.260 698 D HN 0.286 nan 8.370 nan 0.000 0.633 699 D N -0.842 119.544 120.400 -0.023 0.000 2.264 699 D HA -0.124 4.508 4.640 -0.014 0.000 0.208 699 D C 1.877 178.166 176.300 -0.018 0.000 0.966 699 D CA 1.442 55.429 54.000 -0.020 0.000 0.864 699 D CB -0.370 40.421 40.800 -0.016 0.000 0.933 699 D HN 0.443 nan 8.370 nan 0.000 0.499 700 S N -0.510 115.179 115.700 -0.019 0.000 2.465 700 S HA -0.054 4.408 4.470 -0.014 0.000 0.241 700 S C 1.964 176.554 174.600 -0.017 0.000 1.000 700 S CA 1.451 59.640 58.200 -0.019 0.000 0.964 700 S CB -0.270 62.916 63.200 -0.023 0.000 0.763 700 S HN 0.364 nan 8.310 nan 0.000 0.512 701 G N 1.852 110.642 108.800 -0.017 0.000 2.320 701 G HA2 -0.363 3.589 3.960 -0.014 0.000 0.242 701 G HA3 -0.363 3.589 3.960 -0.014 0.000 0.242 701 G C 0.127 175.023 174.900 -0.007 0.000 1.033 701 G CA 0.377 45.469 45.100 -0.012 0.000 0.620 701 G HN 1.020 nan 8.290 nan 0.000 0.517 702 K N 1.494 121.889 120.400 -0.009 0.000 2.319 702 K HA 0.467 4.779 4.320 -0.014 0.000 0.265 702 K C 0.114 176.711 176.600 -0.004 0.000 1.000 702 K CA -0.172 56.116 56.287 0.002 0.000 0.943 702 K CB 0.736 33.233 32.500 -0.005 0.000 0.950 702 K HN 0.250 nan 8.250 nan 0.000 0.485 703 K N 1.217 121.632 120.400 0.025 0.000 2.237 703 K HA 0.200 4.511 4.320 -0.014 0.000 0.270 703 K C -0.388 176.169 176.600 -0.073 0.000 1.015 703 K CA -0.607 55.673 56.287 -0.012 0.000 0.949 703 K CB 1.556 34.089 32.500 0.054 0.000 0.976 703 K HN 0.381 nan 8.250 nan 0.000 0.472 704 V N 0.768 120.597 119.914 -0.141 0.000 3.181 704 V HA 0.159 4.271 4.120 -0.014 0.000 0.314 704 V C -0.514 175.419 176.094 -0.269 0.000 1.173 704 V CA -0.550 61.648 62.300 -0.169 0.000 1.052 704 V CB 2.016 33.756 31.823 -0.138 0.000 1.123 704 V HN 0.957 nan 8.190 nan 0.000 0.454 705 S N 0.919 116.461 115.700 -0.263 0.000 3.477 705 S HA -0.173 4.289 4.470 -0.014 0.000 0.371 705 S C 0.993 175.298 174.600 -0.492 0.000 0.965 705 S CA 1.061 59.033 58.200 -0.379 0.000 1.239 705 S CB -1.153 61.744 63.200 -0.505 0.000 0.918 705 S HN 1.244 nan 8.310 nan 0.000 0.498 706 T N -3.107 111.157 114.554 -0.483 0.000 3.107 706 T HA 0.057 4.398 4.350 -0.014 0.000 0.249 706 T C 0.954 175.230 174.700 -0.707 0.000 1.096 706 T CA 0.050 61.641 62.100 -0.848 0.000 1.012 706 T CB -0.179 67.886 68.868 -1.339 0.000 0.977 706 T HN 0.761 nan 8.240 nan 0.000 0.527 707 W N 1.488 122.451 121.300 -0.562 0.000 2.812 707 W HA 0.309 4.961 4.660 -0.013 0.000 0.263 707 W C 0.392 176.721 176.519 -0.317 0.000 1.284 707 W CA -0.330 56.828 57.345 -0.312 0.000 1.430 707 W CB 0.249 29.660 29.460 -0.081 0.000 1.088 707 W HN 0.291 nan 8.180 nan 0.000 0.623 708 E N 2.934 122.783 120.200 -0.585 0.000 2.324 708 E HA 0.062 4.404 4.350 -0.014 0.000 0.271 708 E C -2.056 174.234 176.600 -0.518 0.000 1.028 708 E CA -1.922 54.087 56.400 -0.652 0.000 0.890 708 E CB 1.031 30.167 29.700 -0.940 0.000 1.004 708 E HN -0.169 nan 8.360 nan 0.000 0.431 709 P HA -0.014 nan 4.420 nan 0.000 0.273 709 P C -0.215 176.865 177.300 -0.368 0.000 1.250 709 P CA 0.153 63.003 63.100 -0.417 0.000 0.793 709 P CB 0.722 32.120 31.700 -0.503 0.000 1.011 710 Q N -0.625 119.003 119.800 -0.287 0.000 2.402 710 Q HA 0.109 4.441 4.340 -0.014 0.000 0.206 710 Q C -0.239 175.597 176.000 -0.274 0.000 0.919 710 Q CA 0.754 56.397 55.803 -0.267 0.000 0.923 710 Q CB 0.458 29.129 28.738 -0.112 0.000 1.048 710 Q HN 0.526 nan 8.270 nan 0.000 0.515 711 D N 0.454 120.703 120.400 -0.252 0.000 2.947 711 D HA 0.180 4.812 4.640 -0.014 0.000 0.224 711 D C -0.982 175.035 176.300 -0.472 0.000 1.230 711 D CA -0.173 53.700 54.000 -0.211 0.000 0.871 711 D CB 1.909 42.783 40.800 0.123 0.000 1.671 711 D HN 0.049 nan 8.370 nan 0.000 0.507 712 Q N 0.524 119.986 119.800 -0.563 0.000 2.511 712 Q HA 0.753 5.085 4.340 -0.014 0.000 0.289 712 Q C -1.969 173.715 176.000 -0.527 0.000 1.021 712 Q CA -1.114 54.362 55.803 -0.545 0.000 0.785 712 Q CB 2.749 31.218 28.738 -0.447 0.000 1.472 712 Q HN 0.291 nan 8.270 nan 0.000 0.411 713 L N -0.002 121.046 121.223 -0.291 0.000 2.549 713 L HA 0.751 5.083 4.340 -0.014 0.000 0.259 713 L C -1.874 174.945 176.870 -0.086 0.000 0.934 713 L CA 0.029 54.794 54.840 -0.124 0.000 0.865 713 L CB 2.629 44.729 42.059 0.069 0.000 1.352 713 L HN 0.770 nan 8.230 nan 0.000 0.410 714 S N 4.322 119.990 115.700 -0.053 0.000 2.575 714 S HA 0.839 5.301 4.470 -0.014 0.000 0.278 714 S C -1.572 172.951 174.600 -0.129 0.000 1.139 714 S CA -0.426 57.712 58.200 -0.102 0.000 0.954 714 S CB 1.611 64.799 63.200 -0.020 0.000 1.054 714 S HN 0.773 nan 8.310 nan 0.000 0.483 715 L N 4.198 125.210 121.223 -0.352 0.000 2.491 715 L HA 0.606 4.937 4.340 -0.014 0.000 0.267 715 L C -2.131 174.396 176.870 -0.572 0.000 0.971 715 L CA -0.438 54.235 54.840 -0.278 0.000 0.857 715 L CB 0.896 42.880 42.059 -0.124 0.000 1.226 715 L HN 0.670 nan 8.230 nan 0.000 0.408 716 Y N 2.806 123.066 120.300 -0.068 0.000 2.350 716 Y HA 0.649 5.191 4.550 -0.013 0.000 0.338 716 Y C 0.218 176.236 175.900 0.198 0.000 0.961 716 Y CA -0.490 57.534 58.100 -0.126 0.000 1.100 716 Y CB 2.450 40.544 38.460 -0.609 0.000 1.179 716 Y HN 0.417 nan 8.280 nan 0.000 0.454 717 T N 2.523 117.396 114.554 0.531 0.000 2.909 717 T HA 0.712 5.054 4.350 -0.014 0.000 0.299 717 T C -1.059 174.044 174.700 0.672 0.000 1.073 717 T CA -0.623 61.812 62.100 0.559 0.000 0.999 717 T CB 0.773 69.886 68.868 0.408 0.000 1.098 717 T HN 0.687 nan 8.240 nan 0.000 0.477 718 S N 2.909 118.943 115.700 0.557 0.000 2.595 718 S HA 0.801 5.263 4.470 -0.014 0.000 0.281 718 S C -1.866 172.985 174.600 0.419 0.000 1.117 718 S CA -0.783 57.664 58.200 0.411 0.000 0.873 718 S CB 1.897 65.278 63.200 0.301 0.000 1.108 718 S HN 0.693 nan 8.310 nan 0.000 0.477 719 Y N 0.796 121.139 120.300 0.072 0.000 2.421 719 Y HA 0.638 5.179 4.550 -0.014 0.000 0.339 719 Y C -1.033 174.788 175.900 -0.132 0.000 0.996 719 Y CA -1.073 56.964 58.100 -0.105 0.000 1.046 719 Y CB 1.737 39.950 38.460 -0.410 0.000 1.226 719 Y HN 0.772 nan 8.280 nan 0.000 0.445 720 K N 6.671 126.670 120.400 -0.668 0.000 2.293 720 K HA 0.319 4.631 4.320 -0.014 0.000 0.267 720 K C -1.078 175.014 176.600 -0.847 0.000 1.010 720 K CA -0.339 55.658 56.287 -0.482 0.000 0.875 720 K CB 0.248 32.599 32.500 -0.249 0.000 1.106 720 K HN 0.643 nan 8.250 nan 0.000 0.450 721 F N 1.681 121.254 119.950 -0.628 0.000 2.426 721 F HA 0.184 4.703 4.527 -0.014 0.000 0.309 721 F C 1.169 176.800 175.800 -0.280 0.000 1.246 721 F CA -0.058 57.649 58.000 -0.487 0.000 1.229 721 F CB 0.525 39.393 39.000 -0.219 0.000 1.255 721 F HN 0.326 nan 8.300 nan 0.000 0.558 722 K N -0.296 120.128 120.400 0.041 0.000 2.306 722 K HA 0.684 4.995 4.320 -0.014 0.000 0.236 722 K C 0.201 176.827 176.600 0.043 0.000 1.013 722 K CA 0.213 56.513 56.287 0.021 0.000 0.857 722 K CB 1.591 34.092 32.500 0.002 0.000 1.214 722 K HN 0.745 nan 8.250 nan 0.000 0.449 723 G N 0.744 109.552 108.800 0.015 0.000 2.514 723 G HA2 -0.342 3.610 3.960 -0.014 0.000 0.265 723 G HA3 -0.342 3.610 3.960 -0.014 0.000 0.265 723 G C 0.943 175.842 174.900 -0.001 0.000 1.150 723 G CA 0.692 45.799 45.100 0.011 0.000 0.959 723 G HN 1.007 nan 8.290 nan 0.000 0.556 724 A N -0.600 122.220 122.820 -0.000 0.000 1.940 724 A HA 0.034 4.346 4.320 -0.014 0.000 0.221 724 A C 2.452 180.021 177.584 -0.026 0.000 1.190 724 A CA 2.628 54.659 52.037 -0.010 0.000 0.647 724 A CB -0.441 18.551 19.000 -0.012 0.000 0.821 724 A HN 1.188 nan 8.150 nan 0.000 0.457 725 L N -0.110 121.084 121.223 -0.047 0.000 2.653 725 L HA 0.051 4.383 4.340 -0.014 0.000 0.231 725 L C 1.231 178.050 176.870 -0.086 0.000 1.153 725 L CA 0.581 55.355 54.840 -0.110 0.000 0.933 725 L CB -0.235 41.642 42.059 -0.304 0.000 1.175 725 L HN 0.607 nan 8.230 nan 0.000 0.473 726 D N -0.570 119.797 120.400 -0.056 0.000 2.384 726 D HA -0.210 4.422 4.640 -0.014 0.000 0.222 726 D C 1.610 177.829 176.300 -0.135 0.000 0.976 726 D CA 0.873 54.837 54.000 -0.060 0.000 0.915 726 D CB 0.027 40.799 40.800 -0.047 0.000 0.896 726 D HN 0.132 nan 8.370 nan 0.000 0.523 727 K N -0.838 119.415 120.400 -0.246 0.000 2.444 727 K HA 0.164 4.476 4.320 -0.014 0.000 0.193 727 K C -0.077 176.203 176.600 -0.534 0.000 1.024 727 K CA -0.243 55.773 56.287 -0.452 0.000 1.077 727 K CB 0.244 32.343 32.500 -0.667 0.000 0.833 727 K HN 0.181 nan 8.250 nan 0.000 0.517 728 L N 0.729 121.786 121.223 -0.276 0.000 2.309 728 L HA 0.290 4.622 4.340 -0.014 0.000 0.282 728 L C -0.965 175.963 176.870 0.096 0.000 1.036 728 L CA 0.237 55.038 54.840 -0.065 0.000 0.806 728 L CB 1.702 43.736 42.059 -0.042 0.000 1.220 728 L HN -0.132 nan 8.230 nan 0.000 0.429 729 T N 4.069 118.682 114.554 0.099 0.000 2.879 729 T HA 0.609 4.951 4.350 -0.014 0.000 0.290 729 T C -0.916 173.869 174.700 0.142 0.000 0.993 729 T CA -0.489 61.674 62.100 0.104 0.000 0.975 729 T CB 1.604 70.484 68.868 0.020 0.000 0.981 729 T HN 0.394 nan 8.240 nan 0.000 0.439 730 V N 2.073 122.103 119.914 0.194 0.000 2.680 730 V HA 0.940 5.052 4.120 -0.014 0.000 0.309 730 V C 0.074 176.272 176.094 0.174 0.000 1.052 730 V CA -0.248 62.177 62.300 0.209 0.000 0.908 730 V CB 2.076 34.116 31.823 0.361 0.000 1.001 730 V HN 1.142 nan 8.190 nan 0.000 0.431 731 G N 2.376 111.261 108.800 0.143 0.000 2.731 731 G HA2 0.745 4.696 3.960 -0.014 0.000 0.298 731 G HA3 0.745 4.696 3.960 -0.014 0.000 0.298 731 G C -0.722 174.337 174.900 0.266 0.000 1.424 731 G CA -0.000 45.210 45.100 0.185 0.000 1.029 731 G HN 1.145 nan 8.290 nan 0.000 0.518 732 G N -1.179 107.879 108.800 0.429 0.000 2.708 732 G HA2 0.971 4.923 3.960 -0.014 0.000 0.289 732 G HA3 0.971 4.923 3.960 -0.014 0.000 0.289 732 G C -0.584 174.612 174.900 0.494 0.000 1.416 732 G CA -0.096 45.255 45.100 0.420 0.000 0.829 732 G HN 1.516 nan 8.290 nan 0.000 0.480 733 G N -1.708 107.285 108.800 0.321 0.000 2.673 733 G HA2 0.832 4.784 3.960 -0.014 0.000 0.292 733 G HA3 0.832 4.784 3.960 -0.014 0.000 0.292 733 G C -1.227 173.560 174.900 -0.188 0.000 1.450 733 G CA 0.390 45.429 45.100 -0.102 0.000 0.837 733 G HN 1.687 nan 8.290 nan 0.000 0.505 734 A N 0.337 122.884 122.820 -0.454 0.000 2.475 734 A HA 0.948 5.260 4.320 -0.014 0.000 0.301 734 A C -0.753 176.709 177.584 -0.204 0.000 1.059 734 A CA -0.842 51.126 52.037 -0.115 0.000 0.710 734 A CB 2.361 21.439 19.000 0.129 0.000 1.288 734 A HN 1.218 nan 8.150 nan 0.000 0.408 735 R N 0.912 121.431 120.500 0.032 0.000 2.514 735 R HA 0.511 4.843 4.340 -0.014 0.000 0.296 735 R C -2.138 174.133 176.300 -0.049 0.000 1.012 735 R CA -0.822 55.252 56.100 -0.043 0.000 0.897 735 R CB 0.479 30.753 30.300 -0.044 0.000 1.184 735 R HN 0.849 nan 8.270 nan 0.000 0.440 736 W N 5.805 126.831 121.300 -0.457 0.000 2.570 736 W HA 0.538 5.190 4.660 -0.013 0.000 0.337 736 W C -1.051 175.016 176.519 -0.753 0.000 1.067 736 W CA -0.327 56.472 57.345 -0.909 0.000 1.229 736 W CB 1.407 29.790 29.460 -1.794 0.000 1.355 736 W HN 0.721 nan 8.180 nan 0.000 0.555 737 Q N 4.485 123.156 119.800 -1.882 0.000 2.379 737 Q HA 0.714 5.045 4.340 -0.014 0.000 0.278 737 Q C -0.482 174.205 176.000 -2.187 0.000 1.068 737 Q CA -1.056 53.640 55.803 -1.845 0.000 0.816 737 Q CB 1.916 29.989 28.738 -1.109 0.000 1.387 737 Q HN 0.652 nan 8.270 nan 0.000 0.413 738 G N 1.481 109.269 108.800 -1.688 0.000 2.537 738 G HA2 0.361 4.313 3.960 -0.014 0.000 0.297 738 G HA3 0.361 4.313 3.960 -0.014 0.000 0.297 738 G C -0.780 173.877 174.900 -0.405 0.000 1.310 738 G CA -0.964 43.619 45.100 -0.861 0.000 1.027 738 G HN 0.547 nan 8.290 nan 0.000 0.505 739 K N -0.261 120.075 120.400 -0.107 0.000 2.579 739 K HA 0.174 4.486 4.320 -0.014 0.000 0.277 739 K C 0.353 177.025 176.600 0.121 0.000 0.985 739 K CA 0.939 57.261 56.287 0.059 0.000 1.088 739 K CB 0.195 32.770 32.500 0.126 0.000 0.836 739 K HN 0.649 nan 8.250 nan 0.000 0.487 740 S N 1.085 116.900 115.700 0.192 0.000 2.607 740 S HA 0.830 5.292 4.470 -0.014 0.000 0.273 740 S C -1.535 173.413 174.600 0.581 0.000 1.148 740 S CA -1.245 57.081 58.200 0.210 0.000 0.833 740 S CB 1.251 64.235 63.200 -0.360 0.000 1.130 740 S HN 0.816 nan 8.310 nan 0.000 0.470 741 W N -0.519 120.989 121.300 0.345 0.000 2.982 741 W HA 0.748 5.400 4.660 -0.013 0.000 0.344 741 W C -2.250 174.519 176.519 0.417 0.000 1.215 741 W CA -0.703 56.921 57.345 0.465 0.000 1.182 741 W CB 0.635 30.249 29.460 0.256 0.000 1.437 741 W HN 0.660 nan 8.180 nan 0.000 0.570 742 Q N 2.026 122.116 119.800 0.482 0.000 2.421 742 Q HA 0.456 4.787 4.340 -0.014 0.000 0.280 742 Q C -0.837 175.407 176.000 0.405 0.000 1.085 742 Q CA -1.122 54.833 55.803 0.252 0.000 0.807 742 Q CB 2.559 31.316 28.738 0.032 0.000 1.405 742 Q HN 0.550 nan 8.270 nan 0.000 0.419 743 M N 2.135 121.941 119.600 0.343 0.000 2.080 743 M HA 0.382 4.854 4.480 -0.014 0.000 0.350 743 M C -0.142 176.503 176.300 0.574 0.000 1.173 743 M CA -0.645 54.923 55.300 0.446 0.000 1.052 743 M CB 0.474 33.221 32.600 0.245 0.000 1.577 743 M HN 0.419 nan 8.290 nan 0.000 0.455 744 V N 5.038 125.309 119.914 0.594 0.000 2.823 744 V HA 0.580 4.692 4.120 -0.014 0.000 0.312 744 V C -2.043 174.255 176.094 0.339 0.000 1.072 744 V CA -0.708 61.839 62.300 0.412 0.000 0.937 744 V CB 2.587 34.469 31.823 0.098 0.000 1.013 744 V HN 0.751 nan 8.190 nan 0.000 0.430 745 Y N 5.348 125.501 120.300 -0.246 0.000 2.353 745 Y HA 0.503 5.045 4.550 -0.014 0.000 0.340 745 Y C 0.333 175.984 175.900 -0.414 0.000 0.972 745 Y CA -0.501 57.157 58.100 -0.735 0.000 1.157 745 Y CB 0.993 38.645 38.460 -1.348 0.000 1.157 745 Y HN 0.870 nan 8.280 nan 0.000 0.495 746 N N 5.311 123.435 118.700 -0.961 0.000 2.448 746 N HA -0.059 4.673 4.740 -0.014 0.000 0.250 746 N C 0.644 175.496 175.510 -1.096 0.000 1.136 746 N CA 0.332 52.635 53.050 -1.244 0.000 0.953 746 N CB 0.120 37.696 38.487 -1.518 0.000 1.251 746 N HN 0.953 nan 8.380 nan 0.000 0.502 747 N N 5.191 123.490 118.700 -0.669 0.000 2.058 747 N HA -0.019 4.713 4.740 -0.014 0.000 0.191 747 N C -1.167 174.139 175.510 -0.339 0.000 1.037 747 N CA 1.400 54.238 53.050 -0.354 0.000 0.848 747 N CB -0.724 37.692 38.487 -0.118 0.000 1.021 747 N HN 0.397 nan 8.380 nan 0.000 0.422 748 P HA -0.051 nan 4.420 nan 0.000 0.223 748 P C 0.818 177.946 177.300 -0.288 0.000 1.144 748 P CA 1.201 64.131 63.100 -0.283 0.000 0.783 748 P CB 0.076 31.612 31.700 -0.274 0.000 0.771 749 R N -2.567 117.695 120.500 -0.397 0.000 2.373 749 R HA 0.234 4.566 4.340 -0.014 0.000 0.221 749 R C 0.113 176.207 176.300 -0.344 0.000 0.893 749 R CA 0.160 56.053 56.100 -0.344 0.000 1.049 749 R CB 0.329 30.403 30.300 -0.378 0.000 1.119 749 R HN -0.130 nan 8.270 nan 0.000 0.535 750 S N 0.987 116.410 115.700 -0.463 0.000 3.884 750 S HA -0.164 4.298 4.470 -0.014 0.000 0.374 750 S C -0.684 173.691 174.600 -0.374 0.000 0.971 750 S CA 1.200 59.186 58.200 -0.357 0.000 1.152 750 S CB -0.917 62.212 63.200 -0.119 0.000 0.877 750 S HN 0.621 nan 8.310 nan 0.000 0.491 751 R N -1.527 118.522 120.500 -0.752 0.000 2.663 751 R HA 0.550 4.882 4.340 -0.014 0.000 0.267 751 R C -1.426 174.533 176.300 -0.568 0.000 1.038 751 R CA -1.131 54.742 56.100 -0.378 0.000 0.886 751 R CB 0.479 30.653 30.300 -0.210 0.000 1.249 751 R HN 0.147 nan 8.270 nan 0.000 0.463 752 W N 1.470 122.735 121.300 -0.058 0.000 2.316 752 W HA 0.362 5.014 4.660 -0.013 0.000 0.321 752 W C 0.070 176.616 176.519 0.044 0.000 1.203 752 W CA 0.033 57.427 57.345 0.082 0.000 1.214 752 W CB 1.261 30.835 29.460 0.189 0.000 1.169 752 W HN 0.444 nan 8.180 nan 0.000 0.561 753 E N 1.937 122.358 120.200 0.368 0.000 2.256 753 E HA 0.227 4.569 4.350 -0.014 0.000 0.267 753 E C -0.821 176.020 176.600 0.402 0.000 0.892 753 E CA -1.285 55.293 56.400 0.297 0.000 0.775 753 E CB 2.093 31.953 29.700 0.267 0.000 1.207 753 E HN 0.206 nan 8.360 nan 0.000 0.420 754 K N 2.809 123.355 120.400 0.245 0.000 2.201 754 K HA 0.272 4.583 4.320 -0.014 0.000 0.278 754 K C -1.321 175.425 176.600 0.244 0.000 1.027 754 K CA -0.307 56.155 56.287 0.291 0.000 0.909 754 K CB 0.452 33.037 32.500 0.142 0.000 1.062 754 K HN 0.282 nan 8.250 nan 0.000 0.465 755 F N 1.601 121.680 119.950 0.215 0.000 2.436 755 F HA 0.286 4.805 4.527 -0.013 0.000 0.340 755 F C 0.138 176.116 175.800 0.296 0.000 1.113 755 F CA -0.369 57.734 58.000 0.172 0.000 1.022 755 F CB 2.097 41.129 39.000 0.053 0.000 1.128 755 F HN 0.356 nan 8.300 nan 0.000 0.466 756 S N 1.956 117.883 115.700 0.378 0.000 2.501 756 S HA 0.421 4.882 4.470 -0.014 0.000 0.301 756 S C -0.807 174.043 174.600 0.417 0.000 1.096 756 S CA -0.724 57.714 58.200 0.398 0.000 1.063 756 S CB 1.654 64.982 63.200 0.214 0.000 1.042 756 S HN 0.506 nan 8.310 nan 0.000 0.494 757 Q N 2.583 122.646 119.800 0.437 0.000 2.398 757 Q HA 0.225 4.557 4.340 -0.014 0.000 0.251 757 Q C -0.401 175.753 176.000 0.257 0.000 0.999 757 Q CA -0.244 55.778 55.803 0.366 0.000 0.874 757 Q CB 0.447 29.361 28.738 0.293 0.000 1.215 757 Q HN 0.485 nan 8.270 nan 0.000 0.470 758 E N 2.744 123.092 120.200 0.247 0.000 2.442 758 E HA -0.051 4.291 4.350 -0.014 0.000 0.262 758 E C -0.434 176.278 176.600 0.186 0.000 1.004 758 E CA 0.218 56.733 56.400 0.192 0.000 0.928 758 E CB 0.462 30.274 29.700 0.187 0.000 0.937 758 E HN 0.801 nan 8.360 nan 0.000 0.446 759 D N 2.435 122.884 120.400 0.082 0.000 2.571 759 D HA -0.128 4.504 4.640 -0.014 0.000 0.231 759 D C -0.286 176.035 176.300 0.036 0.000 1.133 759 D CA 0.658 54.600 54.000 -0.098 0.000 0.862 759 D CB -0.086 40.748 40.800 0.057 0.000 1.179 759 D HN 0.312 nan 8.370 nan 0.000 0.474 760 Y N -1.692 118.450 120.300 -0.263 0.000 2.553 760 Y HA 0.650 5.192 4.550 -0.013 0.000 0.347 760 Y C -1.305 174.509 175.900 -0.143 0.000 1.019 760 Y CA -1.865 56.178 58.100 -0.095 0.000 1.032 760 Y CB 0.703 39.106 38.460 -0.095 0.000 1.284 760 Y HN 0.297 nan 8.280 nan 0.000 0.466 761 W N 2.637 124.063 121.300 0.211 0.000 2.448 761 W HA 0.757 5.409 4.660 -0.014 0.000 0.339 761 W C -1.132 175.478 176.519 0.150 0.000 1.124 761 W CA -0.708 56.731 57.345 0.158 0.000 1.262 761 W CB 1.504 31.056 29.460 0.153 0.000 1.251 761 W HN 0.413 nan 8.180 nan 0.000 0.597 762 L N 2.750 124.181 121.223 0.346 0.000 2.385 762 L HA 0.577 4.909 4.340 -0.014 0.000 0.273 762 L C -0.800 176.246 176.870 0.294 0.000 0.990 762 L CA -1.232 53.779 54.840 0.284 0.000 0.821 762 L CB 1.574 43.734 42.059 0.168 0.000 1.279 762 L HN 0.006 nan 8.230 nan 0.000 0.412 763 V N 1.677 121.773 119.914 0.304 0.000 2.417 763 V HA 0.390 4.502 4.120 -0.014 0.000 0.291 763 V C -0.646 175.579 176.094 0.218 0.000 1.024 763 V CA -0.644 61.806 62.300 0.251 0.000 0.861 763 V CB 1.841 33.845 31.823 0.300 0.000 0.985 763 V HN 0.602 nan 8.190 nan 0.000 0.436 764 D N 4.239 124.804 120.400 0.275 0.000 2.181 764 D HA 0.699 5.331 4.640 -0.014 0.000 0.248 764 D C -0.496 175.981 176.300 0.296 0.000 1.020 764 D CA -0.150 54.042 54.000 0.321 0.000 0.891 764 D CB 2.326 43.437 40.800 0.519 0.000 1.187 764 D HN 0.290 nan 8.370 nan 0.000 0.443 765 L N 1.544 122.886 121.223 0.198 0.000 2.370 765 L HA 0.576 4.908 4.340 -0.014 0.000 0.266 765 L C -0.570 176.352 176.870 0.087 0.000 1.002 765 L CA -0.807 54.122 54.840 0.148 0.000 0.818 765 L CB 2.296 44.391 42.059 0.059 0.000 1.325 765 L HN 0.162 nan 8.230 nan 0.000 0.418 766 M N 2.828 122.459 119.600 0.052 0.000 2.322 766 M HA 0.778 5.250 4.480 -0.014 0.000 0.286 766 M C -2.143 174.143 176.300 -0.022 0.000 1.111 766 M CA -0.319 54.947 55.300 -0.057 0.000 0.941 766 M CB 2.002 34.453 32.600 -0.248 0.000 1.671 766 M HN 0.674 nan 8.290 nan 0.000 0.470 767 A N 4.592 127.395 122.820 -0.028 0.000 2.475 767 A HA 0.927 5.239 4.320 -0.014 0.000 0.301 767 A C -1.380 176.216 177.584 0.019 0.000 1.059 767 A CA -0.792 51.258 52.037 0.022 0.000 0.710 767 A CB 1.861 20.890 19.000 0.049 0.000 1.288 767 A HN 0.933 nan 8.150 nan 0.000 0.408 768 R N 0.944 121.476 120.500 0.053 0.000 2.564 768 R HA 0.571 4.903 4.340 -0.014 0.000 0.284 768 R C -2.389 173.981 176.300 0.118 0.000 1.031 768 R CA -0.429 55.707 56.100 0.060 0.000 0.904 768 R CB 1.470 31.776 30.300 0.011 0.000 1.199 768 R HN 0.809 nan 8.270 nan 0.000 0.443 769 Y N 2.317 122.612 120.300 -0.007 0.000 2.376 769 Y HA 0.266 4.807 4.550 -0.014 0.000 0.340 769 Y C -0.770 175.124 175.900 -0.011 0.000 0.965 769 Y CA -0.653 57.439 58.100 -0.013 0.000 1.078 769 Y CB 2.132 40.580 38.460 -0.020 0.000 1.193 769 Y HN 0.577 nan 8.280 nan 0.000 0.452 770 Q N 5.540 125.191 119.800 -0.249 0.000 2.490 770 Q HA 0.296 4.628 4.340 -0.014 0.000 0.226 770 Q C -0.113 175.850 176.000 -0.061 0.000 1.132 770 Q CA 0.246 55.976 55.803 -0.122 0.000 0.928 770 Q CB 0.066 28.705 28.738 -0.165 0.000 1.299 770 Q HN 0.889 nan 8.270 nan 0.000 0.528 771 I N 0.638 121.321 120.570 0.188 0.000 2.208 771 I HA -0.134 4.028 4.170 -0.014 0.000 0.245 771 I C 0.763 176.942 176.117 0.103 0.000 1.097 771 I CA 1.060 62.510 61.300 0.250 0.000 1.363 771 I CB -0.075 38.020 38.000 0.159 0.000 1.051 771 I HN 0.402 nan 8.210 nan 0.000 0.413 772 T N -0.935 113.647 114.554 0.046 0.000 2.916 772 T HA 0.138 4.480 4.350 -0.014 0.000 0.305 772 T C 0.058 174.768 174.700 0.017 0.000 1.119 772 T CA -0.637 61.477 62.100 0.023 0.000 1.008 772 T CB 1.952 70.826 68.868 0.010 0.000 1.129 772 T HN -0.080 nan 8.240 nan 0.000 0.480 773 D N 1.483 121.895 120.400 0.020 0.000 2.248 773 D HA -0.140 4.492 4.640 -0.014 0.000 0.189 773 D C 1.506 177.838 176.300 0.053 0.000 1.011 773 D CA 1.706 55.724 54.000 0.031 0.000 0.868 773 D CB 0.240 41.065 40.800 0.042 0.000 0.931 773 D HN 0.426 nan 8.370 nan 0.000 0.449 774 K N -0.902 119.544 120.400 0.076 0.000 2.374 774 K HA 0.245 4.557 4.320 -0.014 0.000 0.196 774 K C 0.165 176.852 176.600 0.146 0.000 1.023 774 K CA -0.144 56.231 56.287 0.147 0.000 1.103 774 K CB 1.146 33.775 32.500 0.215 0.000 0.848 774 K HN 0.112 nan 8.250 nan 0.000 0.528 775 L N 0.620 121.881 121.223 0.063 0.000 2.543 775 L HA 0.222 4.554 4.340 -0.014 0.000 0.265 775 L C -1.235 175.662 176.870 0.045 0.000 0.945 775 L CA -0.369 54.500 54.840 0.048 0.000 0.869 775 L CB 1.984 44.019 42.059 -0.040 0.000 1.294 775 L HN -0.012 nan 8.230 nan 0.000 0.405 776 S N 3.361 119.093 115.700 0.055 0.000 2.634 776 S HA 0.993 5.455 4.470 -0.014 0.000 0.296 776 S C -0.814 173.828 174.600 0.070 0.000 1.104 776 S CA -0.323 57.912 58.200 0.059 0.000 0.920 776 S CB 2.181 65.399 63.200 0.030 0.000 1.111 776 S HN 0.968 nan 8.310 nan 0.000 0.493 777 A N 1.192 124.066 122.820 0.091 0.000 2.381 777 A HA 0.813 5.125 4.320 -0.014 0.000 0.299 777 A C -0.397 177.240 177.584 0.088 0.000 1.049 777 A CA -0.659 51.432 52.037 0.090 0.000 0.715 777 A CB 1.500 20.554 19.000 0.090 0.000 1.222 777 A HN 0.789 nan 8.150 nan 0.000 0.428 778 S N -0.060 115.680 115.700 0.066 0.000 2.607 778 S HA 0.787 5.249 4.470 -0.014 0.000 0.303 778 S C -0.955 173.646 174.600 0.001 0.000 1.086 778 S CA -0.644 57.570 58.200 0.024 0.000 0.995 778 S CB 1.889 65.082 63.200 -0.013 0.000 1.084 778 S HN 1.390 nan 8.310 nan 0.000 0.507 779 V N 2.357 122.226 119.914 -0.074 0.000 2.686 779 V HA 0.587 4.699 4.120 -0.014 0.000 0.306 779 V C -1.911 174.057 176.094 -0.210 0.000 1.065 779 V CA -0.705 61.454 62.300 -0.235 0.000 0.894 779 V CB 1.909 33.566 31.823 -0.276 0.000 1.004 779 V HN 0.950 nan 8.190 nan 0.000 0.424 780 N N 4.279 122.829 118.700 -0.249 0.000 2.370 780 N HA 0.781 5.513 4.740 -0.014 0.000 0.303 780 N C -1.275 174.128 175.510 -0.179 0.000 1.103 780 N CA -0.516 52.442 53.050 -0.154 0.000 0.848 780 N CB 2.306 40.746 38.487 -0.079 0.000 1.235 780 N HN 0.438 nan 8.380 nan 0.000 0.496 781 V N 1.528 121.391 119.914 -0.085 0.000 2.483 781 V HA 0.496 4.608 4.120 -0.014 0.000 0.297 781 V C -0.871 175.235 176.094 0.021 0.000 1.027 781 V CA -0.923 61.331 62.300 -0.076 0.000 0.855 781 V CB 1.339 33.107 31.823 -0.092 0.000 0.995 781 V HN 0.646 nan 8.190 nan 0.000 0.424 782 N N 3.440 122.165 118.700 0.042 0.000 2.319 782 N HA 0.353 5.085 4.740 -0.014 0.000 0.305 782 N C 0.080 175.655 175.510 0.109 0.000 1.103 782 N CA -0.694 52.429 53.050 0.121 0.000 0.815 782 N CB 1.395 39.979 38.487 0.163 0.000 1.288 782 N HN 0.733 nan 8.380 nan 0.000 0.493 783 N N 0.344 119.134 118.700 0.150 0.000 2.714 783 N HA -0.158 4.573 4.740 -0.014 0.000 0.253 783 N C 0.623 176.177 175.510 0.074 0.000 1.024 783 N CA 0.248 53.392 53.050 0.157 0.000 0.726 783 N CB -1.151 37.450 38.487 0.191 0.000 0.908 783 N HN 0.412 nan 8.380 nan 0.000 0.542 784 V N -0.278 119.622 119.914 -0.022 0.000 2.252 784 V HA -0.328 3.784 4.120 -0.014 0.000 0.255 784 V C 1.819 177.731 176.094 -0.302 0.000 1.071 784 V CA 2.609 64.760 62.300 -0.249 0.000 1.050 784 V CB -0.615 30.919 31.823 -0.483 0.000 0.654 784 V HN 0.488 nan 8.190 nan 0.000 0.448 785 F N -0.193 119.806 119.950 0.080 0.000 2.804 785 F HA 0.216 4.735 4.527 -0.014 0.000 0.303 785 F C 1.201 177.048 175.800 0.078 0.000 1.154 785 F CA 0.474 58.518 58.000 0.073 0.000 1.401 785 F CB -0.706 38.340 39.000 0.077 0.000 1.106 785 F HN 0.227 nan 8.300 nan 0.000 0.568 786 D N 1.381 121.885 120.400 0.173 0.000 2.751 786 D HA -0.283 4.349 4.640 -0.014 0.000 0.233 786 D C 0.290 176.684 176.300 0.156 0.000 1.149 786 D CA 0.427 54.508 54.000 0.134 0.000 0.682 786 D CB -0.933 39.921 40.800 0.089 0.000 1.068 786 D HN 0.225 nan 8.370 nan 0.000 0.429 787 K N 0.485 121.017 120.400 0.219 0.000 2.453 787 K HA 0.135 4.447 4.320 -0.014 0.000 0.280 787 K C -0.091 176.629 176.600 0.199 0.000 1.045 787 K CA 0.441 56.856 56.287 0.214 0.000 1.059 787 K CB 0.485 33.128 32.500 0.239 0.000 0.901 787 K HN 0.190 nan 8.250 nan 0.000 0.475 788 T N 5.071 119.685 114.554 0.099 0.000 2.728 788 T HA 0.396 4.738 4.350 -0.014 0.000 0.296 788 T C -0.671 174.035 174.700 0.011 0.000 0.940 788 T CA -0.440 61.647 62.100 -0.021 0.000 1.013 788 T CB -0.043 68.732 68.868 -0.155 0.000 0.912 788 T HN 0.510 nan 8.240 nan 0.000 0.484 789 Y N 2.543 122.688 120.300 -0.258 0.000 2.790 789 Y HA 0.797 5.340 4.550 -0.013 0.000 0.323 789 Y C -1.835 173.846 175.900 -0.366 0.000 1.230 789 Y CA -2.254 55.611 58.100 -0.392 0.000 1.121 789 Y CB 0.762 38.750 38.460 -0.787 0.000 1.328 789 Y HN 0.474 nan 8.280 nan 0.000 0.514 790 Y N -0.239 120.121 120.300 0.100 0.000 2.409 790 Y HA 0.474 5.015 4.550 -0.014 0.000 0.339 790 Y C 0.814 176.899 175.900 0.309 0.000 1.033 790 Y CA -0.415 57.772 58.100 0.145 0.000 1.094 790 Y CB 2.488 41.125 38.460 0.294 0.000 1.210 790 Y HN 0.766 nan 8.280 nan 0.000 0.456 791 T N -2.421 112.386 114.554 0.422 0.000 3.040 791 T HA 0.243 4.585 4.350 -0.014 0.000 0.266 791 T C -0.196 174.846 174.700 0.569 0.000 1.005 791 T CA -0.177 62.207 62.100 0.473 0.000 0.906 791 T CB -0.199 68.822 68.868 0.255 0.000 1.082 791 T HN 0.508 nan 8.240 nan 0.000 0.531 792 N N 0.540 119.476 118.700 0.394 0.000 2.648 792 N HA 0.382 5.114 4.740 -0.014 0.000 0.272 792 N C -1.986 173.305 175.510 -0.365 0.000 1.118 792 N CA -0.662 52.332 53.050 -0.093 0.000 0.973 792 N CB 1.025 39.450 38.487 -0.104 0.000 1.565 792 N HN 0.288 nan 8.380 nan 0.000 0.542 793 I N 2.606 122.639 120.570 -0.896 0.000 2.499 793 I HA 0.642 4.804 4.170 -0.014 0.000 0.288 793 I C 0.970 176.619 176.117 -0.780 0.000 1.048 793 I CA -0.591 60.222 61.300 -0.812 0.000 1.062 793 I CB 1.876 39.438 38.000 -0.731 0.000 1.238 793 I HN 0.909 nan 8.210 nan 0.000 0.426 794 G N 4.893 113.343 108.800 -0.582 0.000 2.218 794 G HA2 -0.269 3.682 3.960 -0.014 0.000 0.216 794 G HA3 -0.269 3.682 3.960 -0.014 0.000 0.216 794 G C 0.013 174.814 174.900 -0.165 0.000 0.994 794 G CA -0.573 44.295 45.100 -0.386 0.000 0.637 794 G HN 0.494 nan 8.290 nan 0.000 0.505 795 F N 2.719 122.526 119.950 -0.239 0.000 2.487 795 F HA 0.532 5.050 4.527 -0.015 0.000 0.364 795 F C 1.090 176.982 175.800 0.154 0.000 1.126 795 F CA -0.444 57.560 58.000 0.007 0.000 1.135 795 F CB -0.551 38.511 39.000 0.104 0.000 1.127 795 F HN 0.307 nan 8.300 nan 0.000 0.559 796 Y N 3.574 123.567 120.300 -0.510 0.000 3.054 796 Y HA -0.332 4.212 4.550 -0.011 0.000 0.210 796 Y C 1.066 176.808 175.900 -0.262 0.000 1.212 796 Y CA 1.026 58.884 58.100 -0.403 0.000 1.118 796 Y CB -2.308 35.847 38.460 -0.510 0.000 1.292 796 Y HN 0.772 nan 8.280 nan 0.000 0.533 797 T N -1.089 113.374 114.554 -0.152 0.000 4.056 797 T HA -0.106 4.236 4.350 -0.014 0.000 0.356 797 T C 0.173 174.721 174.700 -0.253 0.000 0.757 797 T CA 0.835 62.818 62.100 -0.195 0.000 1.949 797 T CB -1.552 67.253 68.868 -0.105 0.000 1.834 797 T HN 1.044 nan 8.240 nan 0.000 0.846 798 S N -1.354 114.170 115.700 -0.293 0.000 2.840 798 S HA 0.965 5.427 4.470 -0.014 0.000 0.307 798 S C -0.896 173.383 174.600 -0.536 0.000 1.180 798 S CA -0.497 57.485 58.200 -0.364 0.000 0.846 798 S CB 2.353 65.454 63.200 -0.165 0.000 1.233 798 S HN 1.590 nan 8.310 nan 0.000 0.548 799 A N 0.195 122.590 122.820 -0.707 0.000 2.566 799 A HA 0.797 5.109 4.320 -0.014 0.000 0.297 799 A C -0.892 176.359 177.584 -0.555 0.000 1.059 799 A CA -0.594 51.003 52.037 -0.733 0.000 0.691 799 A CB 1.540 19.939 19.000 -1.001 0.000 1.282 799 A HN 0.821 nan 8.150 nan 0.000 0.401 800 S N 0.553 116.130 115.700 -0.206 0.000 2.500 800 S HA 0.665 5.127 4.470 -0.014 0.000 0.301 800 S C -1.366 173.294 174.600 0.099 0.000 1.092 800 S CA -0.207 57.989 58.200 -0.005 0.000 1.030 800 S CB 0.675 63.895 63.200 0.033 0.000 1.031 800 S HN 0.470 nan 8.310 nan 0.000 0.483 801 Y N 1.527 121.957 120.300 0.217 0.000 2.308 801 Y HA 0.486 5.027 4.550 -0.014 0.000 0.329 801 Y C 1.211 177.015 175.900 -0.160 0.000 1.111 801 Y CA -0.318 57.774 58.100 -0.013 0.000 1.179 801 Y CB 0.624 39.109 38.460 0.042 0.000 1.201 801 Y HN 0.799 nan 8.280 nan 0.000 0.483 802 G N 2.168 110.715 108.800 -0.423 0.000 2.614 802 G HA2 0.009 3.961 3.960 -0.014 0.000 0.239 802 G HA3 0.009 3.961 3.960 -0.014 0.000 0.239 802 G C -0.567 174.059 174.900 -0.457 0.000 1.240 802 G CA -0.742 44.004 45.100 -0.591 0.000 0.842 802 G HN 0.582 nan 8.290 nan 0.000 0.584 803 D N 1.842 122.136 120.400 -0.176 0.000 2.531 803 D HA 0.122 4.754 4.640 -0.014 0.000 0.239 803 D C -1.561 174.610 176.300 -0.215 0.000 1.144 803 D CA -0.174 53.672 54.000 -0.256 0.000 0.869 803 D CB 0.992 41.850 40.800 0.097 0.000 1.160 803 D HN 0.081 nan 8.370 nan 0.000 0.484 804 P HA 0.038 nan 4.420 nan 0.000 0.274 804 P C 0.295 177.680 177.300 0.140 0.000 1.260 804 P CA -0.580 62.463 63.100 -0.094 0.000 0.793 804 P CB 0.579 32.207 31.700 -0.120 0.000 1.048 805 R N 1.497 122.066 120.500 0.114 0.000 2.474 805 R HA -0.105 4.227 4.340 -0.014 0.000 0.290 805 R C -0.010 176.314 176.300 0.039 0.000 0.918 805 R CA 1.042 57.188 56.100 0.075 0.000 1.130 805 R CB -0.888 29.428 30.300 0.028 0.000 0.881 805 R HN 0.722 nan 8.270 nan 0.000 0.416 806 N N 2.436 121.135 118.700 -0.002 0.000 2.277 806 N HA 0.385 5.117 4.740 -0.014 0.000 0.286 806 N C -1.734 173.688 175.510 -0.147 0.000 1.140 806 N CA -0.905 52.053 53.050 -0.154 0.000 0.799 806 N CB 1.254 39.704 38.487 -0.061 0.000 1.596 806 N HN 0.173 nan 8.380 nan 0.000 0.473 807 L N 0.361 121.451 121.223 -0.222 0.000 2.334 807 L HA 0.730 5.062 4.340 -0.014 0.000 0.270 807 L C -0.377 176.340 176.870 -0.255 0.000 1.018 807 L CA -0.766 53.919 54.840 -0.258 0.000 0.811 807 L CB 1.461 43.339 42.059 -0.302 0.000 1.271 807 L HN 0.736 nan 8.230 nan 0.000 0.443 808 M N 1.867 121.257 119.600 -0.350 0.000 2.263 808 M HA 0.605 5.077 4.480 -0.014 0.000 0.295 808 M C -1.830 174.223 176.300 -0.411 0.000 1.028 808 M CA -0.286 54.872 55.300 -0.237 0.000 0.921 808 M CB 1.404 33.937 32.600 -0.112 0.000 1.601 808 M HN 0.240 nan 8.290 nan 0.000 0.440 809 F N 2.616 122.535 119.950 -0.051 0.000 2.469 809 F HA 0.828 5.347 4.527 -0.014 0.000 0.332 809 F C 0.059 175.851 175.800 -0.013 0.000 1.103 809 F CA -0.292 57.689 58.000 -0.032 0.000 0.979 809 F CB 2.080 41.057 39.000 -0.039 0.000 1.137 809 F HN 0.667 nan 8.300 nan 0.000 0.463 810 S N -0.220 115.578 115.700 0.163 0.000 2.550 810 S HA 0.793 5.255 4.470 -0.014 0.000 0.270 810 S C -1.056 173.607 174.600 0.105 0.000 1.145 810 S CA -1.026 57.245 58.200 0.119 0.000 0.852 810 S CB 1.667 64.912 63.200 0.075 0.000 1.119 810 S HN 0.534 nan 8.310 nan 0.000 0.465 811 T N 0.111 114.727 114.554 0.103 0.000 2.829 811 T HA 0.691 5.033 4.350 -0.014 0.000 0.280 811 T C -0.525 174.238 174.700 0.105 0.000 0.999 811 T CA -0.849 61.308 62.100 0.094 0.000 0.983 811 T CB 1.536 70.460 68.868 0.093 0.000 0.968 811 T HN 0.786 nan 8.240 nan 0.000 0.446 812 R N 1.797 122.350 120.500 0.090 0.000 2.514 812 R HA 0.445 4.776 4.340 -0.014 0.000 0.301 812 R C -1.793 174.605 176.300 0.163 0.000 0.962 812 R CA -0.774 55.384 56.100 0.097 0.000 0.882 812 R CB 1.299 31.599 30.300 0.001 0.000 1.143 812 R HN 0.766 nan 8.270 nan 0.000 0.452 813 W N 5.438 126.702 121.300 -0.059 0.000 2.411 813 W HA 0.344 4.995 4.660 -0.014 0.000 0.317 813 W C -1.569 174.789 176.519 -0.268 0.000 1.030 813 W CA -1.447 55.826 57.345 -0.119 0.000 1.239 813 W CB 0.908 30.315 29.460 -0.088 0.000 1.304 813 W HN 0.572 nan 8.180 nan 0.000 0.437 814 D N 6.320 126.761 120.400 0.068 0.000 2.280 814 D HA 0.286 4.918 4.640 -0.014 0.000 0.243 814 D C -0.027 176.173 176.300 -0.167 0.000 1.129 814 D CA 0.030 53.907 54.000 -0.206 0.000 0.848 814 D CB 0.629 41.407 40.800 -0.036 0.000 1.107 814 D HN -0.013 nan 8.370 nan 0.000 0.471 815 F N 0.000 119.897 119.950 -0.089 0.000 2.286 815 F HA 0.000 4.519 4.527 -0.014 0.000 0.279 815 F CA 0.000 58.047 58.000 0.079 0.000 1.383 815 F CB 0.000 39.050 39.000 0.083 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574