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 2w16_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 0.000 176.031 176.000 0.052 0.000 1.003 44 Q CA 0.000 55.830 55.803 0.044 0.000 1.022 44 Q CB 0.000 28.760 28.738 0.037 0.000 1.108 45 E N 0.985 121.216 120.200 0.052 0.000 2.585 45 E HA 0.149 4.487 4.350 -0.020 0.000 0.252 45 E C -1.095 175.515 176.600 0.017 0.000 0.981 45 E CA 0.274 56.709 56.400 0.059 0.000 0.943 45 E CB 0.540 30.272 29.700 0.053 0.000 0.923 45 E HN 0.233 nan 8.360 nan 0.000 0.486 46 V N 3.896 123.806 119.914 -0.007 0.000 2.815 46 V HA 0.225 4.333 4.120 -0.020 0.000 0.314 46 V C -0.295 175.607 176.094 -0.319 0.000 1.064 46 V CA -0.811 61.350 62.300 -0.233 0.000 0.952 46 V CB 2.030 33.561 31.823 -0.486 0.000 1.020 46 V HN 0.656 nan 8.190 nan 0.000 0.439 47 E N 1.591 121.559 120.200 -0.385 0.000 2.130 47 E HA 0.492 4.831 4.350 -0.020 0.000 0.284 47 E C -1.551 174.791 176.600 -0.430 0.000 1.018 47 E CA -0.072 56.176 56.400 -0.253 0.000 0.817 47 E CB 0.588 30.211 29.700 -0.129 0.000 1.078 47 E HN 0.404 nan 8.360 nan 0.000 0.396 48 F N 2.327 122.271 119.950 -0.011 0.000 2.492 48 F HA 0.366 4.881 4.527 -0.019 0.000 0.327 48 F C 0.108 175.912 175.800 0.007 0.000 1.079 48 F CA -0.792 57.199 58.000 -0.014 0.000 0.967 48 F CB 1.760 40.772 39.000 0.020 0.000 1.169 48 F HN 0.299 nan 8.300 nan 0.000 0.472 49 D N 3.096 123.633 120.400 0.228 0.000 2.823 49 D HA 0.303 4.931 4.640 -0.020 0.000 0.255 49 D C -1.255 175.122 176.300 0.129 0.000 1.257 49 D CA 0.105 54.188 54.000 0.140 0.000 0.803 49 D CB 0.139 40.989 40.800 0.083 0.000 1.384 49 D HN 0.384 nan 8.370 nan 0.000 0.541 50 I N 3.603 124.255 120.570 0.136 0.000 2.466 50 I HA 0.317 4.475 4.170 -0.020 0.000 0.279 50 I C -2.185 173.968 176.117 0.061 0.000 1.033 50 I CA -1.705 59.657 61.300 0.104 0.000 1.123 50 I CB 2.031 40.112 38.000 0.136 0.000 1.237 50 I HN -0.010 nan 8.210 nan 0.000 0.460 51 P HA 0.286 nan 4.420 nan 0.000 0.276 51 P C -2.617 174.694 177.300 0.017 0.000 1.244 51 P CA -1.895 61.223 63.100 0.030 0.000 0.801 51 P CB -0.251 31.467 31.700 0.030 0.000 1.006 52 P HA -0.013 nan 4.420 nan 0.000 0.261 52 P C -0.297 177.004 177.300 0.002 0.000 1.173 52 P CA 0.958 64.057 63.100 -0.001 0.000 0.760 52 P CB -0.011 31.689 31.700 -0.001 0.000 0.783 53 Q N 1.484 121.280 119.800 -0.006 0.000 2.841 53 Q HA 0.645 4.973 4.340 -0.020 0.000 0.309 53 Q C -1.295 174.696 176.000 -0.015 0.000 0.868 53 Q CA -1.391 54.411 55.803 -0.003 0.000 0.760 53 Q CB 0.627 29.367 28.738 0.004 0.000 1.454 53 Q HN 0.297 nan 8.270 nan 0.000 0.449 54 A N 1.087 123.902 122.820 -0.008 0.000 2.580 54 A HA 0.077 4.385 4.320 -0.020 0.000 0.244 54 A C 0.860 178.411 177.584 -0.055 0.000 1.045 54 A CA -0.103 51.923 52.037 -0.018 0.000 0.761 54 A CB -0.076 18.927 19.000 0.005 0.000 0.962 54 A HN 0.712 nan 8.150 nan 0.000 0.512 55 L N 4.034 125.207 121.223 -0.083 0.000 2.137 55 L HA -0.144 4.184 4.340 -0.020 0.000 0.213 55 L C 2.222 178.943 176.870 -0.247 0.000 1.085 55 L CA 2.773 57.524 54.840 -0.149 0.000 0.760 55 L CB -1.015 40.953 42.059 -0.152 0.000 0.893 55 L HN 0.825 nan 8.230 nan 0.000 0.434 56 G N -1.887 106.782 108.800 -0.219 0.000 2.453 56 G HA2 -0.275 3.673 3.960 -0.020 0.000 0.215 56 G HA3 -0.275 3.673 3.960 -0.020 0.000 0.215 56 G C 1.593 176.402 174.900 -0.152 0.000 1.201 56 G CA 0.869 45.798 45.100 -0.285 0.000 0.784 56 G HN 0.464 nan 8.290 nan 0.000 0.545 57 S N 1.103 116.776 115.700 -0.045 0.000 2.372 57 S HA -0.167 4.291 4.470 -0.020 0.000 0.227 57 S C 2.791 177.383 174.600 -0.014 0.000 1.044 57 S CA 1.606 59.801 58.200 -0.008 0.000 1.050 57 S CB -0.562 62.638 63.200 0.001 0.000 0.901 57 S HN 0.638 nan 8.310 nan 0.000 0.447 58 A N 1.007 123.801 122.820 -0.044 0.000 1.908 58 A HA -0.051 4.257 4.320 -0.020 0.000 0.218 58 A C 2.147 179.733 177.584 0.004 0.000 1.181 58 A CA 1.302 53.328 52.037 -0.018 0.000 0.627 58 A CB -0.701 18.266 19.000 -0.056 0.000 0.818 58 A HN 0.469 nan 8.150 nan 0.000 0.445 59 L N -1.556 119.607 121.223 -0.100 0.000 2.093 59 L HA -0.209 4.120 4.340 -0.020 0.000 0.208 59 L C 2.860 179.801 176.870 0.119 0.000 1.085 59 L CA 1.611 56.411 54.840 -0.066 0.000 0.755 59 L CB -0.398 41.450 42.059 -0.351 0.000 0.904 59 L HN 0.427 nan 8.230 nan 0.000 0.435 60 Q N -0.088 119.775 119.800 0.105 0.000 2.079 60 Q HA -0.242 4.087 4.340 -0.020 0.000 0.200 60 Q C 2.093 178.171 176.000 0.130 0.000 0.974 60 Q CA 1.548 57.442 55.803 0.152 0.000 0.840 60 Q CB 0.077 28.893 28.738 0.131 0.000 0.898 60 Q HN 0.352 nan 8.270 nan 0.000 0.430 61 E N -0.967 119.300 120.200 0.112 0.000 2.110 61 E HA -0.183 4.155 4.350 -0.020 0.000 0.193 61 E C 1.452 178.139 176.600 0.145 0.000 0.988 61 E CA 0.921 57.384 56.400 0.106 0.000 0.804 61 E CB -0.105 29.652 29.700 0.094 0.000 0.745 61 E HN 0.373 nan 8.360 nan 0.000 0.458 62 F N 0.306 120.290 119.950 0.056 0.000 2.102 62 F HA -0.073 4.442 4.527 -0.019 0.000 0.298 62 F C 2.049 177.917 175.800 0.114 0.000 1.105 62 F CA 1.773 59.831 58.000 0.096 0.000 1.239 62 F CB -0.543 38.474 39.000 0.030 0.000 0.991 62 F HN 0.046 nan 8.300 nan 0.000 0.474 63 G N 0.049 108.994 108.800 0.242 0.000 2.440 63 G HA2 -0.293 3.655 3.960 -0.020 0.000 0.218 63 G HA3 -0.293 3.655 3.960 -0.020 0.000 0.218 63 G C 1.821 176.732 174.900 0.018 0.000 1.154 63 G CA 0.867 46.055 45.100 0.147 0.000 0.767 63 G HN 0.316 nan 8.290 nan 0.000 0.552 64 R N -0.239 120.272 120.500 0.018 0.000 2.061 64 R HA -0.015 4.313 4.340 -0.020 0.000 0.230 64 R C 2.815 178.995 176.300 -0.200 0.000 1.140 64 R CA 1.558 57.661 56.100 0.006 0.000 0.940 64 R CB -0.316 30.017 30.300 0.054 0.000 0.839 64 R HN 0.375 nan 8.270 nan 0.000 0.429 65 Q N -1.058 118.533 119.800 -0.347 0.000 2.291 65 Q HA -0.091 4.238 4.340 -0.020 0.000 0.206 65 Q C 1.263 176.780 176.000 -0.806 0.000 0.976 65 Q CA 1.396 56.736 55.803 -0.772 0.000 0.875 65 Q CB 0.231 28.735 28.738 -0.391 0.000 0.927 65 Q HN 0.366 nan 8.270 nan 0.000 0.450 66 A N -0.000 122.522 122.820 -0.497 0.000 2.390 66 A HA 0.072 4.381 4.320 -0.020 0.000 0.232 66 A C -0.397 177.084 177.584 -0.171 0.000 1.233 66 A CA -0.130 51.670 52.037 -0.394 0.000 0.907 66 A CB 0.561 19.236 19.000 -0.543 0.000 0.967 66 A HN 0.255 nan 8.150 nan 0.000 0.512 67 D N -0.596 119.744 120.400 -0.101 0.000 2.699 67 D HA -0.159 4.469 4.640 -0.020 0.000 0.239 67 D C -0.297 176.031 176.300 0.046 0.000 1.136 67 D CA 1.161 55.178 54.000 0.029 0.000 0.668 67 D CB -1.305 39.536 40.800 0.069 0.000 1.060 67 D HN 0.552 nan 8.370 nan 0.000 0.429 68 I N -0.120 120.482 120.570 0.053 0.000 2.865 68 I HA 0.137 4.295 4.170 -0.020 0.000 0.302 68 I C 0.062 176.253 176.117 0.124 0.000 1.140 68 I CA -0.805 60.557 61.300 0.104 0.000 1.021 68 I CB 2.455 40.544 38.000 0.149 0.000 1.233 68 I HN -0.199 nan 8.210 nan 0.000 0.427 69 Q N 4.178 124.051 119.800 0.121 0.000 2.279 69 Q HA 0.446 4.774 4.340 -0.020 0.000 0.256 69 Q C -1.482 174.598 176.000 0.135 0.000 0.937 69 Q CA -0.535 55.338 55.803 0.116 0.000 0.933 69 Q CB 1.447 30.235 28.738 0.083 0.000 1.189 69 Q HN 0.417 nan 8.270 nan 0.000 0.417 70 V N 5.954 125.964 119.914 0.160 0.000 2.398 70 V HA 0.401 4.510 4.120 -0.020 0.000 0.286 70 V C -0.211 175.970 176.094 0.145 0.000 1.026 70 V CA -0.681 61.726 62.300 0.177 0.000 0.868 70 V CB 1.119 33.092 31.823 0.250 0.000 0.982 70 V HN 0.646 nan 8.190 nan 0.000 0.443 71 L N 6.539 127.816 121.223 0.091 0.000 2.313 71 L HA 0.733 5.061 4.340 -0.020 0.000 0.283 71 L C -0.744 176.165 176.870 0.064 0.000 1.013 71 L CA -0.684 54.158 54.840 0.002 0.000 0.816 71 L CB 1.233 43.273 42.059 -0.032 0.000 1.236 71 L HN 0.806 nan 8.230 nan 0.000 0.419 72 Y N 0.310 120.589 120.300 -0.035 0.000 2.588 72 Y HA 0.669 5.207 4.550 -0.020 0.000 0.343 72 Y C -0.846 175.026 175.900 -0.047 0.000 1.065 72 Y CA -1.551 56.521 58.100 -0.046 0.000 1.038 72 Y CB 1.369 39.803 38.460 -0.044 0.000 1.297 72 Y HN 0.367 nan 8.280 nan 0.000 0.467 73 R N 2.806 123.361 120.500 0.092 0.000 2.202 73 R HA 0.287 4.615 4.340 -0.020 0.000 0.334 73 R C -2.186 174.175 176.300 0.101 0.000 1.036 73 R CA -1.715 54.390 56.100 0.010 0.000 0.878 73 R CB 1.025 31.320 30.300 -0.008 0.000 1.067 73 R HN 0.490 nan 8.270 nan 0.000 0.457 74 P HA -0.268 nan 4.420 nan 0.000 0.215 74 P C 1.009 178.362 177.300 0.088 0.000 1.157 74 P CA 1.291 64.459 63.100 0.112 0.000 0.874 74 P CB 0.248 31.961 31.700 0.022 0.000 0.790 75 E N 0.327 120.546 120.200 0.031 0.000 2.478 75 E HA -0.164 4.174 4.350 -0.020 0.000 0.198 75 E C 1.385 177.999 176.600 0.024 0.000 1.046 75 E CA 1.094 57.508 56.400 0.022 0.000 0.870 75 E CB -0.724 28.971 29.700 -0.008 0.000 0.818 75 E HN 0.364 nan 8.360 nan 0.000 0.527 76 E N 0.442 120.663 120.200 0.035 0.000 2.250 76 E HA -0.028 4.311 4.350 -0.020 0.000 0.192 76 E C 1.834 178.443 176.600 0.016 0.000 0.986 76 E CA 1.042 57.455 56.400 0.021 0.000 0.849 76 E CB 0.542 30.253 29.700 0.018 0.000 0.797 76 E HN 0.281 nan 8.360 nan 0.000 0.482 77 V N -0.439 119.495 119.914 0.034 0.000 3.542 77 V HA 0.149 4.257 4.120 -0.020 0.000 0.296 77 V C 1.934 178.025 176.094 -0.004 0.000 1.364 77 V CA 0.323 62.614 62.300 -0.015 0.000 1.118 77 V CB -0.159 31.609 31.823 -0.092 0.000 0.972 77 V HN 0.089 nan 8.190 nan 0.000 0.430 78 R N 2.639 123.155 120.500 0.026 0.000 2.115 78 R HA -0.019 4.309 4.340 -0.020 0.000 0.226 78 R C 1.063 177.378 176.300 0.026 0.000 1.100 78 R CA 2.002 58.126 56.100 0.040 0.000 0.980 78 R CB -0.403 29.932 30.300 0.058 0.000 0.875 78 R HN 0.668 nan 8.270 nan 0.000 0.445 79 N N 0.304 119.011 118.700 0.013 0.000 2.401 79 N HA 0.175 4.903 4.740 -0.020 0.000 0.264 79 N C -1.181 174.328 175.510 -0.002 0.000 1.238 79 N CA -0.468 52.588 53.050 0.010 0.000 0.889 79 N CB 0.649 39.144 38.487 0.012 0.000 1.196 79 N HN 0.167 nan 8.380 nan 0.000 0.511 80 K N 0.200 120.593 120.400 -0.013 0.000 2.395 80 K HA 0.563 4.871 4.320 -0.020 0.000 0.247 80 K C -0.507 176.072 176.600 -0.035 0.000 0.973 80 K CA -0.693 55.578 56.287 -0.027 0.000 0.828 80 K CB 2.421 34.897 32.500 -0.040 0.000 1.272 80 K HN -0.023 nan 8.250 nan 0.000 0.439 81 R N 0.287 120.765 120.500 -0.038 0.000 2.744 81 R HA 0.321 4.649 4.340 -0.020 0.000 0.279 81 R C -0.685 175.584 176.300 -0.051 0.000 0.977 81 R CA -0.752 55.324 56.100 -0.039 0.000 0.906 81 R CB 2.155 32.442 30.300 -0.023 0.000 1.197 81 R HN 0.807 nan 8.270 nan 0.000 0.463 82 S N 0.306 115.972 115.700 -0.057 0.000 2.601 82 S HA 0.281 4.739 4.470 -0.020 0.000 0.271 82 S C 0.267 174.838 174.600 -0.047 0.000 1.305 82 S CA -0.862 57.298 58.200 -0.067 0.000 1.022 82 S CB 1.379 64.537 63.200 -0.070 0.000 0.940 82 S HN 0.607 nan 8.310 nan 0.000 0.525 83 S N 0.841 116.509 115.700 -0.052 0.000 2.578 83 S HA 0.688 5.146 4.470 -0.020 0.000 0.283 83 S C 0.186 174.767 174.600 -0.032 0.000 1.195 83 S CA -0.687 57.491 58.200 -0.037 0.000 1.050 83 S CB 0.747 63.925 63.200 -0.036 0.000 1.012 83 S HN 1.311 nan 8.310 nan 0.000 0.511 84 A N 2.590 125.401 122.820 -0.015 0.000 2.546 84 A HA 0.448 4.757 4.320 -0.020 0.000 0.243 84 A C 0.455 178.037 177.584 -0.004 0.000 1.063 84 A CA -0.466 51.570 52.037 -0.002 0.000 0.757 84 A CB -0.891 18.113 19.000 0.008 0.000 0.991 84 A HN 1.126 nan 8.150 nan 0.000 0.503 85 I N -0.396 120.179 120.570 0.008 0.000 2.433 85 I HA 0.819 4.978 4.170 -0.020 0.000 0.292 85 I C -0.531 175.629 176.117 0.071 0.000 1.001 85 I CA -0.991 60.317 61.300 0.014 0.000 1.119 85 I CB 2.001 39.973 38.000 -0.046 0.000 1.289 85 I HN 0.484 nan 8.210 nan 0.000 0.438 86 K N 4.283 124.730 120.400 0.079 0.000 2.507 86 K HA 0.820 5.128 4.320 -0.020 0.000 0.251 86 K C -0.394 176.276 176.600 0.116 0.000 0.943 86 K CA 0.198 56.546 56.287 0.102 0.000 0.794 86 K CB 1.940 34.480 32.500 0.067 0.000 1.188 86 K HN 1.210 nan 8.250 nan 0.000 0.428 87 G N 2.217 111.103 108.800 0.143 0.000 2.434 87 G HA2 -0.112 3.836 3.960 -0.020 0.000 0.671 87 G HA3 -0.112 3.836 3.960 -0.020 0.000 0.671 87 G C -1.423 173.568 174.900 0.152 0.000 1.280 87 G CA -1.052 44.119 45.100 0.119 0.000 0.975 87 G HN 0.564 nan 8.290 nan 0.000 0.510 88 K N -0.241 120.218 120.400 0.099 0.000 2.451 88 K HA 0.517 4.825 4.320 -0.020 0.000 0.280 88 K C -0.170 176.523 176.600 0.155 0.000 1.020 88 K CA 0.401 56.744 56.287 0.093 0.000 1.008 88 K CB -0.002 32.530 32.500 0.054 0.000 0.917 88 K HN 0.458 nan 8.250 nan 0.000 0.478 89 L N 2.726 124.084 121.223 0.225 0.000 2.591 89 L HA 0.209 4.537 4.340 -0.020 0.000 0.257 89 L C -0.694 176.341 176.870 0.274 0.000 0.935 89 L CA -0.798 54.195 54.840 0.255 0.000 0.873 89 L CB 2.262 44.510 42.059 0.317 0.000 1.397 89 L HN 0.612 nan 8.230 nan 0.000 0.414 90 E N 2.897 123.203 120.200 0.177 0.000 2.376 90 E HA 0.058 4.396 4.350 -0.020 0.000 0.266 90 E C -1.660 175.074 176.600 0.223 0.000 1.009 90 E CA -1.484 55.014 56.400 0.162 0.000 0.902 90 E CB 1.157 30.905 29.700 0.081 0.000 0.972 90 E HN 0.286 nan 8.360 nan 0.000 0.439 91 P HA -0.218 nan 4.420 nan 0.000 0.217 91 P C 0.797 178.300 177.300 0.338 0.000 1.148 91 P CA 1.205 64.542 63.100 0.394 0.000 0.828 91 P CB 0.158 32.072 31.700 0.355 0.000 0.783 92 N N -0.378 118.425 118.700 0.171 0.000 2.171 92 N HA -0.165 4.563 4.740 -0.020 0.000 0.184 92 N C 1.769 177.343 175.510 0.106 0.000 1.021 92 N CA 1.393 54.506 53.050 0.105 0.000 0.854 92 N CB -1.249 37.048 38.487 -0.316 0.000 0.994 92 N HN 0.181 nan 8.380 nan 0.000 0.426 93 Q N 0.381 120.216 119.800 0.059 0.000 1.993 93 Q HA 0.014 4.342 4.340 -0.020 0.000 0.202 93 Q C 2.206 178.214 176.000 0.014 0.000 0.984 93 Q CA 2.216 58.041 55.803 0.037 0.000 0.837 93 Q CB -0.398 28.362 28.738 0.036 0.000 0.902 93 Q HN 0.518 nan 8.270 nan 0.000 0.423 94 A N 0.549 123.370 122.820 0.002 0.000 1.940 94 A HA -0.274 4.034 4.320 -0.020 0.000 0.221 94 A C 2.004 179.481 177.584 -0.178 0.000 1.190 94 A CA 1.923 53.876 52.037 -0.142 0.000 0.647 94 A CB -0.832 17.917 19.000 -0.418 0.000 0.821 94 A HN 0.521 nan 8.150 nan 0.000 0.457 95 I N -0.107 120.378 120.570 -0.142 0.000 2.286 95 I HA -0.141 4.017 4.170 -0.020 0.000 0.245 95 I C 2.649 178.619 176.117 -0.245 0.000 1.104 95 I CA 2.377 63.422 61.300 -0.425 0.000 1.397 95 I CB -0.419 37.281 38.000 -0.500 0.000 1.072 95 I HN 0.498 nan 8.210 nan 0.000 0.417 96 T N -2.587 111.914 114.554 -0.089 0.000 2.962 96 T HA -0.160 4.178 4.350 -0.020 0.000 0.270 96 T C 1.798 176.449 174.700 -0.082 0.000 1.088 96 T CA 1.473 63.533 62.100 -0.067 0.000 1.127 96 T CB -0.459 68.410 68.868 0.003 0.000 0.883 96 T HN 0.531 nan 8.240 nan 0.000 0.493 97 E N 0.427 120.574 120.200 -0.088 0.000 2.072 97 E HA 0.050 4.389 4.350 -0.020 0.000 0.190 97 E C 2.110 178.650 176.600 -0.099 0.000 0.982 97 E CA 0.600 56.954 56.400 -0.076 0.000 0.803 97 E CB -0.259 29.404 29.700 -0.062 0.000 0.755 97 E HN 0.555 nan 8.360 nan 0.000 0.453 98 L N 0.564 121.696 121.223 -0.152 0.000 2.131 98 L HA -0.128 4.201 4.340 -0.020 0.000 0.210 98 L C 1.787 178.567 176.870 -0.150 0.000 1.092 98 L CA 1.048 55.791 54.840 -0.161 0.000 0.759 98 L CB 0.065 41.977 42.059 -0.245 0.000 0.903 98 L HN 0.223 nan 8.230 nan 0.000 0.435 99 L N -0.473 120.654 121.223 -0.159 0.000 2.592 99 L HA 0.079 4.407 4.340 -0.020 0.000 0.227 99 L C 1.177 177.991 176.870 -0.093 0.000 1.127 99 L CA -0.292 54.465 54.840 -0.137 0.000 0.884 99 L CB -0.258 41.708 42.059 -0.157 0.000 1.065 99 L HN 0.189 nan 8.230 nan 0.000 0.457 100 R N 0.950 121.403 120.500 -0.077 0.000 2.537 100 R HA 0.061 4.389 4.340 -0.020 0.000 0.281 100 R C 1.105 177.376 176.300 -0.048 0.000 0.988 100 R CA 1.177 57.245 56.100 -0.053 0.000 1.077 100 R CB 0.179 30.454 30.300 -0.043 0.000 0.932 100 R HN 0.311 nan 8.270 nan 0.000 0.409 101 G N 2.386 111.162 108.800 -0.040 0.000 2.199 101 G HA2 -0.365 3.583 3.960 -0.020 0.000 0.254 101 G HA3 -0.365 3.583 3.960 -0.020 0.000 0.254 101 G C 0.694 175.571 174.900 -0.037 0.000 0.982 101 G CA 0.740 45.820 45.100 -0.034 0.000 0.632 101 G HN 0.765 nan 8.290 nan 0.000 0.529 102 T N -1.761 112.764 114.554 -0.049 0.000 3.081 102 T HA 0.434 4.773 4.350 -0.020 0.000 0.250 102 T C 2.385 177.057 174.700 -0.047 0.000 1.100 102 T CA 1.595 63.663 62.100 -0.052 0.000 1.038 102 T CB 0.198 69.022 68.868 -0.074 0.000 0.962 102 T HN 2.210 nan 8.240 nan 0.000 0.516 103 G N 1.254 110.028 108.800 -0.043 0.000 2.155 103 G HA2 -0.082 3.866 3.960 -0.020 0.000 0.257 103 G HA3 -0.082 3.866 3.960 -0.020 0.000 0.257 103 G C 0.291 175.163 174.900 -0.046 0.000 0.983 103 G CA 0.095 45.172 45.100 -0.038 0.000 0.676 103 G HN 1.216 nan 8.290 nan 0.000 0.528 104 A N -0.531 122.253 122.820 -0.061 0.000 2.286 104 A HA 0.871 5.179 4.320 -0.020 0.000 0.286 104 A C 0.562 178.100 177.584 -0.076 0.000 1.097 104 A CA 0.681 52.675 52.037 -0.072 0.000 0.821 104 A CB 1.032 19.974 19.000 -0.096 0.000 1.076 104 A HN 1.008 nan 8.150 nan 0.000 0.490 105 S N -0.870 114.781 115.700 -0.081 0.000 2.607 105 S HA 0.666 5.124 4.470 -0.020 0.000 0.303 105 S C -0.784 173.730 174.600 -0.145 0.000 1.086 105 S CA -0.566 57.580 58.200 -0.090 0.000 0.995 105 S CB 1.764 64.927 63.200 -0.063 0.000 1.084 105 S HN 0.638 nan 8.310 nan 0.000 0.507 106 V N 1.733 121.528 119.914 -0.199 0.000 2.487 106 V HA 0.402 4.510 4.120 -0.020 0.000 0.298 106 V C -0.928 174.928 176.094 -0.397 0.000 1.028 106 V CA -0.729 61.340 62.300 -0.384 0.000 0.860 106 V CB 1.807 33.227 31.823 -0.672 0.000 0.991 106 V HN 0.852 nan 8.190 nan 0.000 0.427 107 D N 3.887 124.083 120.400 -0.340 0.000 2.467 107 D HA 0.355 4.983 4.640 -0.020 0.000 0.220 107 D C -0.415 175.714 176.300 -0.286 0.000 1.103 107 D CA -0.446 53.421 54.000 -0.222 0.000 0.886 107 D CB 0.316 41.054 40.800 -0.104 0.000 1.025 107 D HN 0.261 nan 8.370 nan 0.000 0.514 108 F N 2.707 122.670 119.950 0.022 0.000 2.538 108 F HA 0.085 4.600 4.527 -0.020 0.000 0.382 108 F C 1.216 177.037 175.800 0.035 0.000 1.069 108 F CA 0.169 58.191 58.000 0.036 0.000 1.138 108 F CB 0.299 39.321 39.000 0.037 0.000 1.068 108 F HN 0.316 nan 8.300 nan 0.000 0.556 109 Q N 2.838 122.733 119.800 0.159 0.000 2.965 109 Q HA 0.526 4.854 4.340 -0.020 0.000 0.288 109 Q C 0.569 176.639 176.000 0.116 0.000 0.974 109 Q CA -0.301 55.571 55.803 0.115 0.000 0.849 109 Q CB 1.059 29.834 28.738 0.061 0.000 1.280 109 Q HN 0.836 nan 8.270 nan 0.000 0.441 110 G N 3.225 112.106 108.800 0.135 0.000 2.543 110 G HA2 -0.395 3.554 3.960 -0.020 0.000 0.286 110 G HA3 -0.395 3.554 3.960 -0.020 0.000 0.286 110 G C 0.449 175.422 174.900 0.121 0.000 1.153 110 G CA 0.383 45.549 45.100 0.110 0.000 0.968 110 G HN 0.530 nan 8.290 nan 0.000 0.544 111 N N 2.626 121.386 118.700 0.100 0.000 2.521 111 N HA 0.427 5.155 4.740 -0.020 0.000 0.188 111 N C 0.669 176.244 175.510 0.109 0.000 1.146 111 N CA 1.248 54.359 53.050 0.101 0.000 0.893 111 N CB 0.104 38.641 38.487 0.083 0.000 0.975 111 N HN 1.028 nan 8.380 nan 0.000 0.451 112 A N 0.605 123.489 122.820 0.107 0.000 2.380 112 A HA 0.742 5.050 4.320 -0.020 0.000 0.315 112 A C -0.241 177.403 177.584 0.101 0.000 1.101 112 A CA -0.816 51.281 52.037 0.100 0.000 0.771 112 A CB 1.226 20.267 19.000 0.068 0.000 1.287 112 A HN 0.190 nan 8.150 nan 0.000 0.436 113 I N -0.519 120.098 120.570 0.079 0.000 2.474 113 I HA 0.765 4.924 4.170 -0.020 0.000 0.294 113 I C -0.281 175.810 176.117 -0.044 0.000 1.005 113 I CA -0.358 60.927 61.300 -0.026 0.000 1.113 113 I CB 2.037 39.982 38.000 -0.092 0.000 1.289 113 I HN 0.587 nan 8.210 nan 0.000 0.436 114 T N 5.332 119.831 114.554 -0.092 0.000 2.823 114 T HA 0.643 4.982 4.350 -0.020 0.000 0.279 114 T C -0.614 174.027 174.700 -0.098 0.000 0.998 114 T CA -0.427 61.634 62.100 -0.065 0.000 0.994 114 T CB 1.206 70.050 68.868 -0.041 0.000 0.960 114 T HN 0.466 nan 8.240 nan 0.000 0.448 115 I N 4.439 124.979 120.570 -0.051 0.000 2.396 115 I HA 0.549 4.707 4.170 -0.020 0.000 0.292 115 I C 0.497 176.593 176.117 -0.035 0.000 0.999 115 I CA 0.316 61.577 61.300 -0.065 0.000 1.310 115 I CB 1.789 39.763 38.000 -0.043 0.000 1.404 115 I HN 0.930 nan 8.210 nan 0.000 0.496 116 S N 4.709 120.377 115.700 -0.054 0.000 2.564 116 S HA 0.827 5.285 4.470 -0.020 0.000 0.274 116 S C -1.172 173.403 174.600 -0.041 0.000 1.124 116 S CA -0.793 57.385 58.200 -0.038 0.000 0.869 116 S CB 1.847 65.022 63.200 -0.042 0.000 1.105 116 S HN 0.205 nan 8.310 nan 0.000 0.472 117 V N 1.690 121.586 119.914 -0.031 0.000 2.357 117 V HA 0.734 4.843 4.120 -0.020 0.000 0.281 117 V C 0.571 176.649 176.094 -0.026 0.000 1.015 117 V CA -0.492 61.790 62.300 -0.030 0.000 0.827 117 V CB 0.520 32.327 31.823 -0.026 0.000 1.018 117 V HN 1.219 nan 8.190 nan 0.000 0.432 118 A N 4.527 127.331 122.820 -0.026 0.000 2.407 118 A HA 0.706 5.014 4.320 -0.020 0.000 0.248 118 A C 0.188 177.761 177.584 -0.018 0.000 1.082 118 A CA -0.260 51.764 52.037 -0.022 0.000 0.785 118 A CB 0.416 19.403 19.000 -0.021 0.000 1.020 118 A HN 0.719 nan 8.150 nan 0.000 0.489 119 E N 0.339 120.530 120.200 -0.016 0.000 2.249 119 E HA 0.523 4.862 4.350 -0.020 0.000 0.263 119 E C 0.876 177.469 176.600 -0.011 0.000 0.950 119 E CA -0.153 56.239 56.400 -0.013 0.000 0.827 119 E CB 1.569 31.261 29.700 -0.012 0.000 1.220 119 E HN 0.593 nan 8.360 nan 0.000 0.411 120 A N 0.970 123.784 122.820 -0.009 0.000 2.015 120 A HA -0.023 4.285 4.320 -0.020 0.000 0.219 120 A C 1.714 179.293 177.584 -0.007 0.000 1.163 120 A CA 1.846 53.878 52.037 -0.008 0.000 0.646 120 A CB -0.445 18.551 19.000 -0.006 0.000 0.806 120 A HN 0.611 nan 8.150 nan 0.000 0.448 121 A N -0.595 122.220 122.820 -0.008 0.000 2.010 121 A HA 0.216 4.524 4.320 -0.020 0.000 0.204 121 A C 0.516 178.095 177.584 -0.008 0.000 1.364 121 A CA 0.899 52.931 52.037 -0.007 0.000 0.622 121 A CB -0.464 18.532 19.000 -0.007 0.000 0.983 121 A HN 0.470 nan 8.150 nan 0.000 0.491 122 D N -1.423 118.970 120.400 -0.010 0.000 4.353 122 D HA -0.106 4.522 4.640 -0.020 0.000 0.242 122 D C 0.742 177.036 176.300 -0.010 0.000 1.063 122 D CA 0.925 54.918 54.000 -0.012 0.000 1.224 122 D CB -0.931 39.861 40.800 -0.013 0.000 0.831 122 D HN 0.565 nan 8.370 nan 0.000 0.405 123 S N 0.362 116.056 115.700 -0.010 0.000 2.503 123 S HA 0.266 4.724 4.470 -0.020 0.000 0.215 123 S C 0.554 175.149 174.600 -0.009 0.000 1.003 123 S CA 1.176 59.371 58.200 -0.008 0.000 0.910 123 S CB 0.534 63.730 63.200 -0.006 0.000 0.790 123 S HN 1.020 nan 8.310 nan 0.000 0.514 124 S N -0.788 114.904 115.700 -0.013 0.000 2.714 124 S HA 0.405 4.864 4.470 -0.020 0.000 0.284 124 S C -1.222 173.364 174.600 -0.023 0.000 1.019 124 S CA -0.439 57.751 58.200 -0.017 0.000 0.856 124 S CB 0.636 63.827 63.200 -0.015 0.000 1.075 124 S HN 0.751 nan 8.310 nan 0.000 0.455 125 V N 1.179 121.075 119.914 -0.029 0.000 2.686 125 V HA 0.602 4.710 4.120 -0.020 0.000 0.295 125 V C -0.642 175.427 176.094 -0.041 0.000 1.057 125 V CA -0.106 62.174 62.300 -0.034 0.000 1.012 125 V CB 1.495 33.297 31.823 -0.035 0.000 1.006 125 V HN 1.012 nan 8.190 nan 0.000 0.477 126 D N 4.836 125.212 120.400 -0.041 0.000 2.540 126 D HA 0.255 4.883 4.640 -0.020 0.000 0.251 126 D C 1.064 177.335 176.300 -0.048 0.000 1.159 126 D CA -0.069 53.905 54.000 -0.044 0.000 0.974 126 D CB 0.564 41.339 40.800 -0.041 0.000 0.996 126 D HN 0.563 nan 8.370 nan 0.000 0.512 127 L N 1.252 122.444 121.223 -0.053 0.000 2.042 127 L HA -0.045 4.283 4.340 -0.020 0.000 0.210 127 L C 2.004 178.846 176.870 -0.046 0.000 1.076 127 L CA 1.402 56.211 54.840 -0.053 0.000 0.749 127 L CB -0.021 42.001 42.059 -0.062 0.000 0.893 127 L HN 0.384 nan 8.230 nan 0.000 0.432 128 G N -0.420 108.356 108.800 -0.040 0.000 3.496 128 G HA2 0.380 4.329 3.960 -0.020 0.000 0.273 128 G HA3 0.380 4.329 3.960 -0.020 0.000 0.273 128 G C 0.494 175.367 174.900 -0.046 0.000 1.279 128 G CA 0.124 45.205 45.100 -0.030 0.000 1.041 128 G HN 0.315 nan 8.290 nan 0.000 0.539 129 A N 0.593 123.379 122.820 -0.057 0.000 2.567 129 A HA 0.389 4.697 4.320 -0.020 0.000 0.240 129 A C 1.090 178.616 177.584 -0.096 0.000 1.053 129 A CA 0.178 52.169 52.037 -0.076 0.000 0.755 129 A CB -0.089 18.867 19.000 -0.072 0.000 0.978 129 A HN 0.287 nan 8.150 nan 0.000 0.507 130 T N 3.982 118.459 114.554 -0.127 0.000 2.656 130 T HA 0.086 4.424 4.350 -0.020 0.000 0.258 130 T C 0.146 174.751 174.700 -0.158 0.000 1.020 130 T CA 1.267 63.272 62.100 -0.158 0.000 1.191 130 T CB -0.752 67.991 68.868 -0.208 0.000 1.004 130 T HN 0.513 nan 8.240 nan 0.000 0.498 131 M N 4.510 124.012 119.600 -0.164 0.000 2.321 131 M HA 0.430 4.898 4.480 -0.020 0.000 0.315 131 M C -0.548 175.589 176.300 -0.272 0.000 1.052 131 M CA -1.020 54.157 55.300 -0.207 0.000 0.936 131 M CB 1.825 34.332 32.600 -0.155 0.000 1.639 131 M HN 0.282 nan 8.290 nan 0.000 0.433 132 I N 1.687 121.991 120.570 -0.445 0.000 2.499 132 I HA 0.428 4.586 4.170 -0.020 0.000 0.296 132 I C 0.500 176.288 176.117 -0.548 0.000 0.992 132 I CA 0.022 61.023 61.300 -0.498 0.000 1.297 132 I CB 1.613 39.271 38.000 -0.570 0.000 1.410 132 I HN 0.612 nan 8.210 nan 0.000 0.507 133 T N 3.019 117.413 114.554 -0.267 0.000 2.916 133 T HA 0.322 4.661 4.350 -0.020 0.000 0.292 133 T C 0.789 175.496 174.700 0.011 0.000 1.055 133 T CA -0.375 61.660 62.100 -0.108 0.000 1.009 133 T CB 1.587 70.415 68.868 -0.066 0.000 1.118 133 T HN 0.715 nan 8.240 nan 0.000 0.497 134 S N 1.345 117.094 115.700 0.081 0.000 2.502 134 S HA 0.178 4.636 4.470 -0.020 0.000 0.215 134 S C 0.551 175.212 174.600 0.100 0.000 1.009 134 S CA -0.217 58.055 58.200 0.121 0.000 0.908 134 S CB 0.032 63.330 63.200 0.163 0.000 0.801 134 S HN 0.529 nan 8.310 nan 0.000 0.505 135 N N 1.460 120.211 118.700 0.085 0.000 2.479 135 N HA 0.253 4.982 4.740 -0.020 0.000 0.261 135 N C 0.304 175.861 175.510 0.079 0.000 0.979 135 N CA -0.289 52.812 53.050 0.086 0.000 0.930 135 N CB 1.463 39.999 38.487 0.082 0.000 1.172 135 N HN 0.029 nan 8.380 nan 0.000 0.499 136 Q N 2.716 122.578 119.800 0.103 0.000 2.364 136 Q HA 0.032 4.360 4.340 -0.020 0.000 0.207 136 Q C 1.135 177.188 176.000 0.088 0.000 0.970 136 Q CA 0.832 56.708 55.803 0.122 0.000 0.888 136 Q CB 0.367 29.233 28.738 0.213 0.000 0.951 136 Q HN 0.687 nan 8.270 nan 0.000 0.469 137 L N -1.066 120.202 121.223 0.076 0.000 2.567 137 L HA 0.180 4.508 4.340 -0.020 0.000 0.225 137 L C 0.930 177.815 176.870 0.026 0.000 1.119 137 L CA 0.312 55.181 54.840 0.048 0.000 0.871 137 L CB 0.169 42.264 42.059 0.060 0.000 1.036 137 L HN 0.221 nan 8.230 nan 0.000 0.459 138 G N -0.374 108.445 108.800 0.031 0.000 2.483 138 G HA2 -0.183 3.765 3.960 -0.020 0.000 0.521 138 G HA3 -0.183 3.765 3.960 -0.020 0.000 0.521 138 G C -0.406 174.517 174.900 0.039 0.000 1.278 138 G CA -0.685 44.429 45.100 0.023 0.000 0.965 138 G HN -0.088 nan 8.290 nan 0.000 0.504 139 T N 0.996 115.572 114.554 0.036 0.000 2.851 139 T HA 0.492 4.831 4.350 -0.020 0.000 0.298 139 T C 1.158 175.889 174.700 0.052 0.000 0.977 139 T CA 0.080 62.209 62.100 0.049 0.000 1.126 139 T CB 0.647 69.543 68.868 0.046 0.000 0.916 139 T HN 0.575 nan 8.240 nan 0.000 0.529 140 I N 3.245 123.852 120.570 0.061 0.000 2.648 140 I HA 0.035 4.193 4.170 -0.020 0.000 0.284 140 I C 2.057 178.211 176.117 0.062 0.000 1.153 140 I CA -0.128 61.210 61.300 0.063 0.000 1.426 140 I CB 0.999 39.040 38.000 0.068 0.000 1.381 140 I HN 0.846 nan 8.210 nan 0.000 0.571 141 T N 0.998 115.589 114.554 0.061 0.000 3.044 141 T HA -0.031 4.308 4.350 -0.020 0.000 0.255 141 T C 0.809 175.551 174.700 0.069 0.000 1.073 141 T CA -0.226 61.913 62.100 0.066 0.000 1.125 141 T CB -0.121 68.784 68.868 0.063 0.000 0.908 141 T HN 0.660 nan 8.240 nan 0.000 0.480 142 E N 2.013 122.251 120.200 0.065 0.000 2.608 142 E HA -0.109 4.229 4.350 -0.020 0.000 0.259 142 E C -0.350 176.282 176.600 0.054 0.000 0.951 142 E CA 0.646 57.081 56.400 0.059 0.000 0.945 142 E CB -0.172 29.563 29.700 0.059 0.000 0.916 142 E HN 0.356 nan 8.360 nan 0.000 0.477 143 D N 1.990 122.418 120.400 0.047 0.000 3.079 143 D HA -0.240 4.388 4.640 -0.020 0.000 0.214 143 D C 0.882 177.213 176.300 0.051 0.000 1.145 143 D CA 1.341 55.366 54.000 0.041 0.000 0.958 143 D CB -1.672 39.149 40.800 0.035 0.000 1.117 143 D HN 0.506 nan 8.370 nan 0.000 0.416 144 S N -0.613 115.126 115.700 0.064 0.000 2.489 144 S HA 0.223 4.681 4.470 -0.020 0.000 0.228 144 S C 1.911 176.550 174.600 0.064 0.000 0.995 144 S CA 1.553 59.794 58.200 0.068 0.000 0.934 144 S CB 0.385 63.631 63.200 0.077 0.000 0.771 144 S HN 1.047 nan 8.310 nan 0.000 0.522 145 G N 0.394 109.236 108.800 0.071 0.000 2.168 145 G HA2 -0.259 3.689 3.960 -0.020 0.000 0.263 145 G HA3 -0.259 3.689 3.960 -0.020 0.000 0.263 145 G C 0.079 175.013 174.900 0.056 0.000 0.977 145 G CA 0.552 45.686 45.100 0.057 0.000 0.659 145 G HN 1.104 nan 8.290 nan 0.000 0.533 146 S N -1.594 114.175 115.700 0.114 0.000 2.600 146 S HA 0.736 5.194 4.470 -0.020 0.000 0.300 146 S C 0.283 175.079 174.600 0.327 0.000 1.087 146 S CA -0.686 57.587 58.200 0.121 0.000 0.965 146 S CB 1.034 64.290 63.200 0.092 0.000 1.089 146 S HN 0.305 nan 8.310 nan 0.000 0.496 147 Y N 1.458 121.802 120.300 0.073 0.000 2.607 147 Y HA 0.379 4.917 4.550 -0.019 0.000 0.266 147 Y C 1.078 177.008 175.900 0.050 0.000 1.178 147 Y CA -0.396 57.749 58.100 0.075 0.000 1.226 147 Y CB 0.040 38.562 38.460 0.102 0.000 1.144 147 Y HN 0.518 nan 8.280 nan 0.000 0.528 148 T N 2.652 117.319 114.554 0.190 0.000 2.863 148 T HA 0.501 4.839 4.350 -0.020 0.000 0.285 148 T C -2.630 172.119 174.700 0.082 0.000 1.009 148 T CA -1.944 60.223 62.100 0.112 0.000 0.989 148 T CB 1.895 70.815 68.868 0.087 0.000 1.004 148 T HN -0.157 nan 8.240 nan 0.000 0.455 149 P HA 0.413 nan 4.420 nan 0.000 0.279 149 P C 0.476 177.797 177.300 0.034 0.000 1.276 149 P CA -0.325 62.798 63.100 0.038 0.000 0.801 149 P CB 0.825 32.533 31.700 0.013 0.000 1.127 150 G N -0.228 108.590 108.800 0.030 0.000 2.680 150 G HA2 0.284 4.232 3.960 -0.020 0.000 0.224 150 G HA3 0.284 4.232 3.960 -0.020 0.000 0.224 150 G C -0.099 174.809 174.900 0.013 0.000 1.454 150 G CA 0.570 45.687 45.100 0.028 0.000 0.900 150 G HN 0.748 nan 8.290 nan 0.000 0.570 151 T N -1.835 112.725 114.554 0.010 0.000 2.916 151 T HA 0.745 5.083 4.350 -0.020 0.000 0.292 151 T C -1.125 173.569 174.700 -0.010 0.000 1.055 151 T CA -0.682 61.416 62.100 -0.003 0.000 1.009 151 T CB 2.660 71.527 68.868 -0.002 0.000 1.118 151 T HN 0.102 nan 8.240 nan 0.000 0.497 152 I N -0.037 120.518 120.570 -0.025 0.000 3.004 152 I HA 0.672 4.830 4.170 -0.020 0.000 0.305 152 I C 0.081 176.167 176.117 -0.051 0.000 1.312 152 I CA -1.259 60.017 61.300 -0.039 0.000 0.992 152 I CB 1.856 39.824 38.000 -0.054 0.000 1.282 152 I HN 1.006 nan 8.210 nan 0.000 0.449 153 A N 1.552 124.332 122.820 -0.067 0.000 2.635 153 A HA 0.252 4.560 4.320 -0.020 0.000 0.279 153 A C 1.105 178.612 177.584 -0.129 0.000 1.122 153 A CA 0.229 52.213 52.037 -0.088 0.000 0.965 153 A CB -0.283 18.673 19.000 -0.074 0.000 1.221 153 A HN 0.699 nan 8.150 nan 0.000 0.566 154 T N -0.071 114.406 114.554 -0.128 0.000 2.881 154 T HA -0.021 4.317 4.350 -0.020 0.000 0.270 154 T C 2.073 176.663 174.700 -0.183 0.000 1.068 154 T CA 1.561 63.567 62.100 -0.156 0.000 1.131 154 T CB -0.133 68.645 68.868 -0.149 0.000 0.871 154 T HN 0.549 nan 8.240 nan 0.000 0.479 155 A N 1.920 124.635 122.820 -0.175 0.000 1.855 155 A HA 0.035 4.343 4.320 -0.020 0.000 0.213 155 A C 2.434 179.847 177.584 -0.285 0.000 1.195 155 A CA 1.720 53.639 52.037 -0.196 0.000 0.610 155 A CB -0.543 18.350 19.000 -0.178 0.000 0.837 155 A HN 0.584 nan 8.150 nan 0.000 0.444 156 T N -7.094 107.297 114.554 -0.271 0.000 3.130 156 T HA 0.418 4.756 4.350 -0.020 0.000 0.288 156 T C 0.701 175.257 174.700 -0.240 0.000 0.936 156 T CA 0.663 62.569 62.100 -0.324 0.000 0.897 156 T CB 0.614 69.325 68.868 -0.262 0.000 1.178 156 T HN 0.388 nan 8.240 nan 0.000 0.543 157 R N -0.537 119.827 120.500 -0.226 0.000 3.415 157 R HA -0.101 4.227 4.340 -0.020 0.000 0.433 157 R C -0.518 175.696 176.300 -0.143 0.000 0.524 157 R CA 1.048 57.007 56.100 -0.236 0.000 1.484 157 R CB -2.260 27.843 30.300 -0.329 0.000 2.053 157 R HN 0.557 nan 8.270 nan 0.000 0.346 158 L N 1.533 122.704 121.223 -0.086 0.000 2.453 158 L HA 0.203 4.532 4.340 -0.020 0.000 0.272 158 L C 0.433 177.282 176.870 -0.036 0.000 1.182 158 L CA -0.338 54.477 54.840 -0.043 0.000 0.858 158 L CB 0.866 42.926 42.059 0.002 0.000 1.120 158 L HN -0.144 nan 8.230 nan 0.000 0.474 159 V N 5.958 125.851 119.914 -0.036 0.000 2.387 159 V HA 0.231 4.339 4.120 -0.020 0.000 0.260 159 V C 0.337 176.415 176.094 -0.025 0.000 1.054 159 V CA 0.140 62.422 62.300 -0.030 0.000 0.967 159 V CB 0.207 32.016 31.823 -0.024 0.000 1.036 159 V HN 0.473 nan 8.190 nan 0.000 0.481 160 L N 4.085 125.298 121.223 -0.017 0.000 2.333 160 L HA 0.660 4.988 4.340 -0.020 0.000 0.263 160 L C 0.544 177.406 176.870 -0.015 0.000 1.014 160 L CA -0.745 54.093 54.840 -0.003 0.000 0.820 160 L CB 2.636 44.718 42.059 0.038 0.000 1.352 160 L HN 0.613 nan 8.230 nan 0.000 0.421 161 T N -2.872 111.674 114.554 -0.012 0.000 2.849 161 T HA 0.268 4.607 4.350 -0.020 0.000 0.284 161 T C -2.074 172.606 174.700 -0.033 0.000 1.004 161 T CA -1.588 60.500 62.100 -0.020 0.000 1.021 161 T CB 1.242 70.098 68.868 -0.019 0.000 1.013 161 T HN 0.310 nan 8.240 nan 0.000 0.527 162 P HA -0.156 nan 4.420 nan 0.000 0.216 162 P C 1.657 178.912 177.300 -0.074 0.000 1.157 162 P CA 1.159 64.224 63.100 -0.058 0.000 0.880 162 P CB -0.002 31.678 31.700 -0.034 0.000 0.791 163 R N 0.441 120.912 120.500 -0.049 0.000 2.159 163 R HA -0.163 4.165 4.340 -0.020 0.000 0.237 163 R C 1.654 177.935 176.300 -0.033 0.000 1.131 163 R CA 1.543 57.617 56.100 -0.044 0.000 0.982 163 R CB -0.366 29.910 30.300 -0.040 0.000 0.868 163 R HN 0.243 nan 8.270 nan 0.000 0.453 164 E N -0.514 119.678 120.200 -0.014 0.000 2.478 164 E HA 0.013 4.351 4.350 -0.020 0.000 0.194 164 E C -0.381 176.260 176.600 0.067 0.000 1.045 164 E CA 0.381 56.811 56.400 0.050 0.000 0.868 164 E CB 0.649 30.386 29.700 0.060 0.000 0.885 164 E HN 0.157 nan 8.360 nan 0.000 0.505 165 T N 3.170 117.680 114.554 -0.073 0.000 2.743 165 T HA 0.153 4.491 4.350 -0.020 0.000 0.292 165 T C -2.206 172.289 174.700 -0.341 0.000 0.972 165 T CA -1.498 60.495 62.100 -0.178 0.000 0.967 165 T CB 1.481 70.248 68.868 -0.169 0.000 0.926 165 T HN -0.031 nan 8.240 nan 0.000 0.459 166 P HA 0.185 nan 4.420 nan 0.000 0.235 166 P C -0.347 176.811 177.300 -0.237 0.000 1.725 166 P CA -0.075 62.832 63.100 -0.321 0.000 0.894 166 P CB 0.241 31.877 31.700 -0.107 0.000 1.704 167 Q N -1.079 118.525 119.800 -0.327 0.000 2.553 167 Q HA 0.409 4.737 4.340 -0.020 0.000 0.293 167 Q C -0.579 175.316 176.000 -0.175 0.000 1.038 167 Q CA -0.838 54.873 55.803 -0.152 0.000 0.777 167 Q CB 1.750 30.408 28.738 -0.133 0.000 1.487 167 Q HN -0.178 nan 8.270 nan 0.000 0.426 168 S N 1.226 116.877 115.700 -0.082 0.000 2.405 168 S HA 0.341 4.800 4.470 -0.020 0.000 0.291 168 S C -0.776 173.758 174.600 -0.109 0.000 1.137 168 S CA -0.203 57.957 58.200 -0.067 0.000 1.061 168 S CB -0.190 62.974 63.200 -0.061 0.000 1.001 168 S HN 0.327 nan 8.310 nan 0.000 0.507 169 I N 4.418 124.925 120.570 -0.105 0.000 2.382 169 I HA 0.389 4.547 4.170 -0.020 0.000 0.286 169 I C -0.396 175.674 176.117 -0.078 0.000 1.002 169 I CA 0.182 61.418 61.300 -0.106 0.000 1.135 169 I CB 1.491 39.422 38.000 -0.115 0.000 1.288 169 I HN 0.389 nan 8.210 nan 0.000 0.448 170 T N 6.313 120.816 114.554 -0.085 0.000 2.823 170 T HA 0.697 5.035 4.350 -0.020 0.000 0.279 170 T C -0.758 173.896 174.700 -0.078 0.000 0.998 170 T CA -0.461 61.600 62.100 -0.066 0.000 0.994 170 T CB 1.587 70.416 68.868 -0.065 0.000 0.960 170 T HN 0.305 nan 8.240 nan 0.000 0.448 171 V N 3.076 122.956 119.914 -0.056 0.000 2.735 171 V HA 0.498 4.606 4.120 -0.020 0.000 0.310 171 V C -0.469 175.591 176.094 -0.058 0.000 1.061 171 V CA -0.817 61.446 62.300 -0.062 0.000 0.913 171 V CB 2.332 34.131 31.823 -0.041 0.000 1.005 171 V HN 0.690 nan 8.190 nan 0.000 0.428 172 V N 3.535 123.400 119.914 -0.082 0.000 2.328 172 V HA 0.362 4.470 4.120 -0.020 0.000 0.278 172 V C 0.600 176.654 176.094 -0.068 0.000 1.021 172 V CA -0.398 61.844 62.300 -0.095 0.000 0.838 172 V CB 1.587 33.332 31.823 -0.130 0.000 0.999 172 V HN 1.071 nan 8.190 nan 0.000 0.447 173 T N 2.161 116.687 114.554 -0.047 0.000 2.899 173 T HA 0.272 4.611 4.350 -0.020 0.000 0.295 173 T C 1.192 175.894 174.700 0.003 0.000 1.033 173 T CA -0.445 61.660 62.100 0.007 0.000 1.084 173 T CB 1.262 70.178 68.868 0.081 0.000 0.979 173 T HN 0.454 nan 8.240 nan 0.000 0.532 174 R N 1.071 121.592 120.500 0.035 0.000 2.159 174 R HA -0.210 4.118 4.340 -0.020 0.000 0.252 174 R C 2.374 178.704 176.300 0.050 0.000 1.144 174 R CA 2.339 58.466 56.100 0.044 0.000 0.961 174 R CB -1.127 29.208 30.300 0.057 0.000 0.877 174 R HN 0.835 nan 8.270 nan 0.000 0.444 175 Q N -0.259 119.600 119.800 0.098 0.000 2.230 175 Q HA -0.034 4.294 4.340 -0.020 0.000 0.202 175 Q C 1.598 177.684 176.000 0.142 0.000 0.963 175 Q CA 1.526 57.422 55.803 0.156 0.000 0.866 175 Q CB -0.334 28.556 28.738 0.252 0.000 0.931 175 Q HN 0.376 nan 8.270 nan 0.000 0.452 176 N N -0.388 118.282 118.700 -0.050 0.000 2.142 176 N HA -0.104 4.625 4.740 -0.020 0.000 0.186 176 N C 1.490 176.975 175.510 -0.041 0.000 1.023 176 N CA 1.377 54.218 53.050 -0.347 0.000 0.852 176 N CB -0.034 38.108 38.487 -0.574 0.000 0.998 176 N HN 0.355 nan 8.380 nan 0.000 0.424 177 M N 0.171 119.743 119.600 -0.048 0.000 2.117 177 M HA -0.132 4.336 4.480 -0.020 0.000 0.262 177 M C 1.266 177.567 176.300 0.003 0.000 1.065 177 M CA 1.422 56.702 55.300 -0.034 0.000 1.114 177 M CB -0.203 32.379 32.600 -0.030 0.000 1.361 177 M HN -0.035 nan 8.290 nan 0.000 0.408 178 D N 0.532 120.940 120.400 0.014 0.000 2.117 178 D HA -0.138 4.490 4.640 -0.020 0.000 0.198 178 D C 1.612 177.899 176.300 -0.021 0.000 0.982 178 D CA 1.172 55.170 54.000 -0.003 0.000 0.828 178 D CB -0.324 40.473 40.800 -0.004 0.000 0.967 178 D HN 0.257 nan 8.370 nan 0.000 0.464 179 D N -0.758 119.637 120.400 -0.007 0.000 2.144 179 D HA -0.079 4.549 4.640 -0.020 0.000 0.200 179 D C 1.203 177.250 176.300 -0.420 0.000 0.978 179 D CA 0.689 54.586 54.000 -0.172 0.000 0.833 179 D CB -0.139 40.606 40.800 -0.091 0.000 0.961 179 D HN 0.280 nan 8.370 nan 0.000 0.470 180 F N -0.540 119.384 119.950 -0.043 0.000 2.653 180 F HA 0.311 4.826 4.527 -0.020 0.000 0.304 180 F C 1.541 177.267 175.800 -0.123 0.000 1.092 180 F CA -0.059 57.899 58.000 -0.070 0.000 1.279 180 F CB 0.504 39.427 39.000 -0.128 0.000 1.044 180 F HN -0.082 nan 8.300 nan 0.000 0.564 181 G N 1.717 110.520 108.800 0.005 0.000 2.273 181 G HA2 -0.312 3.636 3.960 -0.020 0.000 0.280 181 G HA3 -0.312 3.636 3.960 -0.020 0.000 0.280 181 G C 0.032 174.907 174.900 -0.042 0.000 1.047 181 G CA -0.251 44.839 45.100 -0.017 0.000 0.869 181 G HN 0.340 nan 8.290 nan 0.000 0.502 182 L N -0.242 120.933 121.223 -0.080 0.000 2.454 182 L HA 0.248 4.577 4.340 -0.020 0.000 0.284 182 L C 1.288 178.127 176.870 -0.052 0.000 1.139 182 L CA -0.132 54.629 54.840 -0.131 0.000 0.911 182 L CB 0.038 41.957 42.059 -0.234 0.000 1.262 182 L HN 0.258 nan 8.230 nan 0.000 0.453 183 N N 1.680 120.368 118.700 -0.020 0.000 2.353 183 N HA -0.011 4.717 4.740 -0.020 0.000 0.185 183 N C -0.086 175.444 175.510 0.034 0.000 1.098 183 N CA -0.106 52.954 53.050 0.018 0.000 0.872 183 N CB 0.258 38.764 38.487 0.031 0.000 0.970 183 N HN 0.667 nan 8.380 nan 0.000 0.467 184 N N -0.869 117.842 118.700 0.017 0.000 2.972 184 N HA 0.109 4.837 4.740 -0.020 0.000 0.262 184 N C 0.171 175.683 175.510 0.003 0.000 1.478 184 N CA -0.766 52.304 53.050 0.033 0.000 0.841 184 N CB 0.450 38.965 38.487 0.048 0.000 1.512 184 N HN -0.239 nan 8.380 nan 0.000 0.548 185 I N 0.245 120.826 120.570 0.018 0.000 2.361 185 I HA -0.120 4.038 4.170 -0.020 0.000 0.251 185 I C 0.844 176.936 176.117 -0.042 0.000 1.133 185 I CA 1.547 62.834 61.300 -0.022 0.000 1.413 185 I CB -0.542 37.475 38.000 0.029 0.000 1.073 185 I HN 0.521 nan 8.210 nan 0.000 0.424 186 D N 0.627 121.066 120.400 0.066 0.000 2.117 186 D HA -0.160 4.468 4.640 -0.020 0.000 0.198 186 D C 1.765 178.077 176.300 0.020 0.000 0.982 186 D CA 1.316 55.383 54.000 0.111 0.000 0.828 186 D CB -0.282 40.609 40.800 0.152 0.000 0.967 186 D HN 0.362 nan 8.370 nan 0.000 0.464 187 D N 0.052 120.446 120.400 -0.009 0.000 2.144 187 D HA -0.099 4.529 4.640 -0.020 0.000 0.199 187 D C 2.243 178.443 176.300 -0.167 0.000 0.984 187 D CA 0.412 54.366 54.000 -0.078 0.000 0.834 187 D CB -0.150 40.588 40.800 -0.103 0.000 0.955 187 D HN 0.105 nan 8.370 nan 0.000 0.465 188 V N 1.035 120.853 119.914 -0.160 0.000 2.323 188 V HA -0.196 3.912 4.120 -0.020 0.000 0.244 188 V C 2.466 178.449 176.094 -0.185 0.000 1.041 188 V CA 1.044 63.230 62.300 -0.190 0.000 1.025 188 V CB -0.297 31.421 31.823 -0.175 0.000 0.656 188 V HN 0.163 nan 8.190 nan 0.000 0.451 189 M N -0.190 119.258 119.600 -0.254 0.000 2.108 189 M HA -0.164 4.304 4.480 -0.020 0.000 0.261 189 M C 2.300 178.525 176.300 -0.125 0.000 1.066 189 M CA 1.729 56.837 55.300 -0.320 0.000 1.107 189 M CB -1.292 30.876 32.600 -0.721 0.000 1.356 189 M HN 0.297 nan 8.290 nan 0.000 0.406 190 R N -1.009 119.479 120.500 -0.021 0.000 2.120 190 R HA -0.161 4.168 4.340 -0.020 0.000 0.234 190 R C 1.529 177.908 176.300 0.131 0.000 1.123 190 R CA 1.099 57.256 56.100 0.096 0.000 0.975 190 R CB -0.444 29.962 30.300 0.177 0.000 0.866 190 R HN 0.476 nan 8.270 nan 0.000 0.446 191 H N -0.850 118.120 119.070 -0.166 0.000 2.539 191 H HA 0.137 4.682 4.556 -0.019 0.000 0.269 191 H C -0.187 175.039 175.328 -0.170 0.000 0.980 191 H CA 0.242 56.123 56.048 -0.278 0.000 1.152 191 H CB 0.467 29.877 29.762 -0.586 0.000 1.407 191 H HN -0.084 nan 8.280 nan 0.000 0.564 192 T N 3.774 118.304 114.554 -0.039 0.000 2.727 192 T HA 0.180 4.518 4.350 -0.020 0.000 0.298 192 T C -2.495 172.177 174.700 -0.048 0.000 0.942 192 T CA -1.617 60.440 62.100 -0.072 0.000 0.997 192 T CB 1.244 70.032 68.868 -0.134 0.000 0.917 192 T HN 0.019 nan 8.240 nan 0.000 0.487 193 P HA 0.117 nan 4.420 nan 0.000 0.260 193 P C 1.089 178.361 177.300 -0.046 0.000 1.172 193 P CA 0.972 64.063 63.100 -0.015 0.000 0.760 193 P CB 0.160 31.868 31.700 0.012 0.000 0.773 194 G N 2.515 111.279 108.800 -0.061 0.000 2.176 194 G HA2 -0.177 3.772 3.960 -0.020 0.000 0.232 194 G HA3 -0.177 3.772 3.960 -0.020 0.000 0.232 194 G C 0.004 174.854 174.900 -0.083 0.000 0.986 194 G CA -0.476 44.576 45.100 -0.080 0.000 0.643 194 G HN 0.469 nan 8.290 nan 0.000 0.522 195 I N 1.694 122.220 120.570 -0.073 0.000 2.460 195 I HA 0.514 4.672 4.170 -0.020 0.000 0.298 195 I C 0.081 176.187 176.117 -0.018 0.000 0.989 195 I CA -0.258 61.013 61.300 -0.049 0.000 1.173 195 I CB 1.534 39.478 38.000 -0.093 0.000 1.338 195 I HN 0.001 nan 8.210 nan 0.000 0.456 196 T N 5.086 119.675 114.554 0.059 0.000 2.792 196 T HA 0.508 4.846 4.350 -0.020 0.000 0.280 196 T C -0.135 174.669 174.700 0.174 0.000 0.990 196 T CA -0.483 61.677 62.100 0.101 0.000 0.960 196 T CB 1.957 70.895 68.868 0.117 0.000 0.939 196 T HN 0.228 nan 8.240 nan 0.000 0.439 197 V N 4.041 124.050 119.914 0.159 0.000 2.370 197 V HA 0.666 4.774 4.120 -0.020 0.000 0.279 197 V C 0.275 176.460 176.094 0.152 0.000 1.029 197 V CA -0.598 61.817 62.300 0.193 0.000 0.870 197 V CB 1.055 33.016 31.823 0.230 0.000 0.984 197 V HN 1.094 nan 8.190 nan 0.000 0.451 198 S N 3.584 119.311 115.700 0.044 0.000 2.667 198 S HA 0.945 5.403 4.470 -0.020 0.000 0.292 198 S C -0.473 174.041 174.600 -0.144 0.000 1.126 198 S CA -0.604 57.662 58.200 0.110 0.000 0.881 198 S CB 2.219 65.633 63.200 0.357 0.000 1.132 198 S HN 1.150 nan 8.310 nan 0.000 0.492 199 A N 0.521 123.279 122.820 -0.104 0.000 2.317 199 A HA 0.721 5.030 4.320 -0.020 0.000 0.327 199 A C -0.455 176.937 177.584 -0.320 0.000 1.178 199 A CA -0.709 51.224 52.037 -0.173 0.000 0.817 199 A CB 0.167 19.157 19.000 -0.016 0.000 1.189 199 A HN 0.832 nan 8.150 nan 0.000 0.489 200 Y N 1.155 121.287 120.300 -0.281 0.000 2.262 200 Y HA 0.146 4.684 4.550 -0.019 0.000 0.295 200 Y C 0.727 176.620 175.900 -0.013 0.000 1.121 200 Y CA 1.232 59.046 58.100 -0.477 0.000 1.144 200 Y CB 0.212 38.319 38.460 -0.587 0.000 1.043 200 Y HN 0.842 nan 8.280 nan 0.000 0.528 201 D N -4.400 116.112 120.400 0.188 0.000 2.779 201 D HA 0.070 4.699 4.640 -0.020 0.000 0.331 201 D C 0.675 177.021 176.300 0.077 0.000 1.331 201 D CA 0.117 54.238 54.000 0.202 0.000 0.866 201 D CB 0.132 41.137 40.800 0.341 0.000 1.409 201 D HN -0.061 nan 8.370 nan 0.000 0.486 202 T N -3.273 111.298 114.554 0.029 0.000 2.946 202 T HA -0.097 4.242 4.350 -0.020 0.000 0.271 202 T C 0.254 174.896 174.700 -0.097 0.000 1.104 202 T CA 1.414 63.415 62.100 -0.164 0.000 1.114 202 T CB -0.366 68.243 68.868 -0.431 0.000 0.867 202 T HN 0.480 nan 8.240 nan 0.000 0.513 203 D N 0.339 120.730 120.400 -0.014 0.000 2.599 203 D HA 0.220 4.848 4.640 -0.020 0.000 0.249 203 D C -0.006 176.067 176.300 -0.378 0.000 1.313 203 D CA -0.246 53.668 54.000 -0.143 0.000 0.815 203 D CB 0.744 41.469 40.800 -0.124 0.000 1.077 203 D HN 0.189 nan 8.370 nan 0.000 0.492 204 R N 1.044 121.414 120.500 -0.217 0.000 2.518 204 R HA 0.308 4.636 4.340 -0.020 0.000 0.287 204 R C -1.044 175.176 176.300 -0.133 0.000 1.135 204 R CA -0.315 55.650 56.100 -0.224 0.000 0.967 204 R CB 1.535 31.731 30.300 -0.173 0.000 1.212 204 R HN 0.049 nan 8.270 nan 0.000 0.422 205 N N 0.867 119.425 118.700 -0.236 0.000 2.530 205 N HA 0.384 5.112 4.740 -0.020 0.000 0.283 205 N C -0.795 174.337 175.510 -0.630 0.000 1.238 205 N CA -0.796 52.041 53.050 -0.355 0.000 0.971 205 N CB 0.933 39.311 38.487 -0.182 0.000 1.195 205 N HN 0.348 nan 8.380 nan 0.000 0.583 206 N N -0.553 117.711 118.700 -0.727 0.000 2.238 206 N HA 0.356 5.084 4.740 -0.020 0.000 0.302 206 N C -2.043 173.120 175.510 -0.578 0.000 1.072 206 N CA -0.480 52.095 53.050 -0.791 0.000 0.792 206 N CB 0.808 38.702 38.487 -0.988 0.000 1.425 206 N HN 0.354 nan 8.380 nan 0.000 0.478 207 Y N 1.966 122.090 120.300 -0.294 0.000 2.328 207 Y HA 0.420 4.958 4.550 -0.019 0.000 0.336 207 Y C -0.892 174.878 175.900 -0.218 0.000 0.960 207 Y CA -0.757 57.216 58.100 -0.212 0.000 1.134 207 Y CB 0.595 38.973 38.460 -0.136 0.000 1.166 207 Y HN 0.393 nan 8.280 nan 0.000 0.464 208 Y N 1.279 121.620 120.300 0.069 0.000 2.420 208 Y HA 0.775 5.314 4.550 -0.019 0.000 0.334 208 Y C 0.046 175.927 175.900 -0.033 0.000 1.094 208 Y CA -1.210 56.891 58.100 0.002 0.000 1.126 208 Y CB 1.881 40.311 38.460 -0.049 0.000 1.217 208 Y HN 0.657 nan 8.280 nan 0.000 0.462 209 A N 2.278 125.191 122.820 0.155 0.000 2.455 209 A HA 0.689 4.997 4.320 -0.020 0.000 0.300 209 A C -0.031 177.578 177.584 0.043 0.000 1.040 209 A CA -1.106 50.946 52.037 0.025 0.000 0.697 209 A CB 0.890 19.858 19.000 -0.054 0.000 1.265 209 A HN 0.923 nan 8.150 nan 0.000 0.407 210 R N 0.872 121.349 120.500 -0.038 0.000 3.741 210 R HA -0.264 4.064 4.340 -0.020 0.000 0.292 210 R C 1.120 177.449 176.300 0.048 0.000 1.176 210 R CA 1.527 57.630 56.100 0.005 0.000 0.794 210 R CB -1.768 28.466 30.300 -0.109 0.000 1.213 210 R HN 2.489 nan 8.270 nan 0.000 0.494 211 G N -2.042 106.681 108.800 -0.129 0.000 2.179 211 G HA2 -0.278 3.670 3.960 -0.020 0.000 0.220 211 G HA3 -0.278 3.670 3.960 -0.020 0.000 0.220 211 G C -0.038 174.495 174.900 -0.611 0.000 0.990 211 G CA 0.006 44.833 45.100 -0.454 0.000 0.646 211 G HN 0.233 nan 8.290 nan 0.000 0.517 212 F N 1.081 121.072 119.950 0.068 0.000 2.588 212 F HA 0.721 5.236 4.527 -0.020 0.000 0.314 212 F C 0.628 176.531 175.800 0.171 0.000 1.069 212 F CA -0.892 57.172 58.000 0.106 0.000 0.931 212 F CB 2.141 41.147 39.000 0.010 0.000 1.260 212 F HN -0.046 nan 8.300 nan 0.000 0.465 213 S N 2.270 118.149 115.700 0.298 0.000 2.510 213 S HA 0.347 4.806 4.470 -0.020 0.000 0.279 213 S C -0.065 174.578 174.600 0.072 0.000 1.284 213 S CA -0.403 57.855 58.200 0.097 0.000 1.059 213 S CB -0.121 63.113 63.200 0.057 0.000 0.901 213 S HN 0.320 nan 8.310 nan 0.000 0.491 214 I N 3.936 124.514 120.570 0.013 0.000 2.533 214 I HA 0.105 4.263 4.170 -0.020 0.000 0.284 214 I C 0.871 176.950 176.117 -0.064 0.000 1.109 214 I CA 0.229 61.491 61.300 -0.064 0.000 1.412 214 I CB 0.378 38.305 38.000 -0.121 0.000 1.396 214 I HN 0.615 nan 8.210 nan 0.000 0.543 215 N N 3.884 122.537 118.700 -0.078 0.000 2.305 215 N HA 0.164 4.892 4.740 -0.020 0.000 0.248 215 N C -1.092 174.423 175.510 0.008 0.000 1.290 215 N CA -0.223 52.841 53.050 0.024 0.000 0.873 215 N CB 0.356 38.868 38.487 0.042 0.000 1.261 215 N HN 0.465 nan 8.380 nan 0.000 0.504 216 N N 0.623 119.206 118.700 -0.195 0.000 2.417 216 N HA 0.318 5.046 4.740 -0.020 0.000 0.274 216 N C -1.397 173.898 175.510 -0.358 0.000 0.987 216 N CA -0.036 52.906 53.050 -0.180 0.000 0.912 216 N CB 0.943 39.296 38.487 -0.223 0.000 1.177 216 N HN -0.017 nan 8.380 nan 0.000 0.490 217 F N 0.549 120.424 119.950 -0.125 0.000 2.529 217 F HA 0.381 4.898 4.527 -0.018 0.000 0.320 217 F C 0.506 176.143 175.800 -0.272 0.000 1.118 217 F CA -0.698 57.167 58.000 -0.225 0.000 0.915 217 F CB 1.981 40.892 39.000 -0.148 0.000 1.161 217 F HN 0.131 nan 8.300 nan 0.000 0.445 218 Q N 1.551 121.180 119.800 -0.285 0.000 2.297 218 Q HA 0.563 4.891 4.340 -0.020 0.000 0.268 218 Q C -1.788 173.804 176.000 -0.680 0.000 1.045 218 Q CA -1.022 54.607 55.803 -0.291 0.000 0.861 218 Q CB 2.587 31.207 28.738 -0.196 0.000 1.344 218 Q HN 0.547 nan 8.270 nan 0.000 0.452 219 Y N 0.650 120.934 120.300 -0.025 0.000 2.332 219 Y HA 0.183 4.722 4.550 -0.019 0.000 0.326 219 Y C -0.662 175.205 175.900 -0.055 0.000 0.978 219 Y CA -0.949 57.131 58.100 -0.034 0.000 1.205 219 Y CB 1.386 39.840 38.460 -0.011 0.000 1.131 219 Y HN 0.623 nan 8.280 nan 0.000 0.462 220 D N 2.836 123.255 120.400 0.032 0.000 2.708 220 D HA -0.184 4.444 4.640 -0.020 0.000 0.236 220 D C 1.300 177.602 176.300 0.004 0.000 1.146 220 D CA 1.886 55.891 54.000 0.009 0.000 0.662 220 D CB -0.975 39.812 40.800 -0.020 0.000 1.059 220 D HN 1.149 nan 8.370 nan 0.000 0.428 221 G N -0.811 107.967 108.800 -0.037 0.000 2.155 221 G HA2 -0.310 3.638 3.960 -0.020 0.000 0.257 221 G HA3 -0.310 3.638 3.960 -0.020 0.000 0.257 221 G C 0.243 175.131 174.900 -0.020 0.000 0.983 221 G CA 0.312 45.379 45.100 -0.055 0.000 0.676 221 G HN 0.482 nan 8.290 nan 0.000 0.528 222 I N 2.213 122.799 120.570 0.026 0.000 2.307 222 I HA 0.319 4.477 4.170 -0.020 0.000 0.289 222 I C -1.873 174.293 176.117 0.083 0.000 1.021 222 I CA -3.494 57.846 61.300 0.067 0.000 1.224 222 I CB 0.795 38.856 38.000 0.102 0.000 1.376 222 I HN -0.099 nan 8.210 nan 0.000 0.470 223 P HA 0.106 nan 4.420 nan 0.000 0.268 223 P C -0.083 177.272 177.300 0.093 0.000 1.204 223 P CA -0.011 63.110 63.100 0.034 0.000 0.768 223 P CB 0.709 32.394 31.700 -0.025 0.000 0.842 224 S N 1.508 117.293 115.700 0.141 0.000 2.713 224 S HA 0.441 4.899 4.470 -0.020 0.000 0.283 224 S C 0.004 174.641 174.600 0.062 0.000 1.161 224 S CA -0.557 57.724 58.200 0.134 0.000 0.999 224 S CB 0.108 63.437 63.200 0.214 0.000 1.039 224 S HN 0.358 nan 8.310 nan 0.000 0.548 225 T N 1.379 115.949 114.554 0.025 0.000 2.780 225 T HA 0.598 4.936 4.350 -0.020 0.000 0.294 225 T C 0.597 175.265 174.700 -0.054 0.000 0.949 225 T CA -0.109 61.949 62.100 -0.069 0.000 1.074 225 T CB 1.082 69.855 68.868 -0.160 0.000 0.910 225 T HN 0.932 nan 8.240 nan 0.000 0.501 226 A N 3.439 126.218 122.820 -0.069 0.000 2.624 226 A HA 0.283 4.591 4.320 -0.020 0.000 0.287 226 A C 1.858 179.425 177.584 -0.028 0.000 1.087 226 A CA -0.365 51.667 52.037 -0.008 0.000 0.964 226 A CB -0.030 19.025 19.000 0.091 0.000 1.231 226 A HN 0.830 nan 8.150 nan 0.000 0.551 227 R N 0.665 121.093 120.500 -0.121 0.000 2.279 227 R HA -0.301 4.027 4.340 -0.020 0.000 0.264 227 R C 0.515 176.847 176.300 0.053 0.000 1.138 227 R CA 2.414 58.484 56.100 -0.049 0.000 0.981 227 R CB -0.366 29.863 30.300 -0.118 0.000 0.909 227 R HN 0.895 nan 8.270 nan 0.000 0.462 228 N N -4.376 114.372 118.700 0.081 0.000 3.378 228 N HA 0.012 4.740 4.740 -0.020 0.000 0.294 228 N C 0.394 175.858 175.510 -0.077 0.000 1.544 228 N CA -0.052 53.024 53.050 0.044 0.000 0.872 228 N CB 0.670 39.227 38.487 0.116 0.000 1.670 228 N HN -0.181 nan 8.380 nan 0.000 0.551 229 V N -2.513 117.310 119.914 -0.151 0.000 2.759 229 V HA 0.153 4.261 4.120 -0.020 0.000 0.256 229 V C 1.806 177.629 176.094 -0.451 0.000 1.080 229 V CA 2.008 64.172 62.300 -0.227 0.000 1.101 229 V CB -1.472 30.264 31.823 -0.145 0.000 0.698 229 V HN 0.792 nan 8.190 nan 0.000 0.477 230 G N 0.023 108.335 108.800 -0.814 0.000 2.628 230 G HA2 -0.318 3.631 3.960 -0.020 0.000 0.217 230 G HA3 -0.318 3.631 3.960 -0.020 0.000 0.217 230 G C 1.295 175.539 174.900 -1.094 0.000 1.240 230 G CA 1.574 45.693 45.100 -1.636 0.000 0.792 230 G HN 0.626 nan 8.290 nan 0.000 0.593 231 Y N 0.343 120.195 120.300 -0.747 0.000 2.639 231 Y HA 0.168 4.708 4.550 -0.017 0.000 0.297 231 Y C 2.624 178.378 175.900 -0.243 0.000 1.151 231 Y CA 1.048 58.929 58.100 -0.365 0.000 1.335 231 Y CB 0.247 38.583 38.460 -0.208 0.000 0.994 231 Y HN 0.299 nan 8.280 nan 0.000 0.548 232 S N -0.469 115.149 115.700 -0.137 0.000 2.846 232 S HA 0.480 4.939 4.470 -0.020 0.000 0.249 232 S C 0.468 174.955 174.600 -0.188 0.000 1.028 232 S CA -0.311 57.809 58.200 -0.132 0.000 1.043 232 S CB -0.547 62.594 63.200 -0.098 0.000 0.990 232 S HN 0.203 nan 8.310 nan 0.000 0.564 233 A N 0.426 123.150 122.820 -0.161 0.000 2.565 233 A HA 0.471 4.779 4.320 -0.020 0.000 0.237 233 A C 1.619 179.078 177.584 -0.209 0.000 1.053 233 A CA 0.715 52.666 52.037 -0.144 0.000 0.755 233 A CB -1.003 17.989 19.000 -0.014 0.000 0.980 233 A HN 1.621 nan 8.150 nan 0.000 0.506 234 G N 2.282 110.930 108.800 -0.253 0.000 2.212 234 G HA2 -0.322 3.626 3.960 -0.020 0.000 0.266 234 G HA3 -0.322 3.626 3.960 -0.020 0.000 0.266 234 G C 0.818 175.577 174.900 -0.235 0.000 0.978 234 G CA 0.850 45.813 45.100 -0.228 0.000 0.632 234 G HN 0.762 nan 8.290 nan 0.000 0.537 235 N N 0.170 118.674 118.700 -0.326 0.000 2.223 235 N HA -0.049 4.679 4.740 -0.020 0.000 0.185 235 N C 2.222 177.505 175.510 -0.379 0.000 1.016 235 N CA 1.906 54.652 53.050 -0.507 0.000 0.863 235 N CB -0.479 37.433 38.487 -0.957 0.000 0.983 235 N HN 0.593 nan 8.380 nan 0.000 0.429 236 T N -0.932 113.476 114.554 -0.243 0.000 3.035 236 T HA 0.064 4.402 4.350 -0.020 0.000 0.268 236 T C 1.299 176.005 174.700 0.011 0.000 1.109 236 T CA 0.668 62.725 62.100 -0.073 0.000 1.119 236 T CB 0.041 68.781 68.868 -0.214 0.000 0.900 236 T HN 0.140 nan 8.240 nan 0.000 0.503 237 L N 0.644 121.834 121.223 -0.054 0.000 2.920 237 L HA 0.354 4.683 4.340 -0.020 0.000 0.257 237 L C 0.575 177.453 176.870 0.013 0.000 1.150 237 L CA -0.345 54.480 54.840 -0.026 0.000 0.959 237 L CB 0.465 42.478 42.059 -0.077 0.000 1.321 237 L HN 0.046 nan 8.230 nan 0.000 0.555 238 S N 1.356 117.074 115.700 0.031 0.000 2.702 238 S HA -0.107 4.351 4.470 -0.020 0.000 0.314 238 S C 0.121 174.800 174.600 0.131 0.000 1.244 238 S CA 0.214 58.476 58.200 0.103 0.000 1.058 238 S CB 0.211 63.508 63.200 0.162 0.000 0.783 238 S HN 0.183 nan 8.310 nan 0.000 0.503 239 D N 1.871 122.355 120.400 0.141 0.000 2.389 239 D HA 0.047 4.675 4.640 -0.020 0.000 0.247 239 D C 0.714 177.143 176.300 0.215 0.000 1.128 239 D CA -0.290 53.786 54.000 0.127 0.000 0.884 239 D CB 0.535 41.381 40.800 0.076 0.000 1.194 239 D HN 0.345 nan 8.370 nan 0.000 0.441 240 M N 2.876 122.583 119.600 0.178 0.000 2.618 240 M HA 0.007 4.475 4.480 -0.020 0.000 0.240 240 M C 1.847 178.234 176.300 0.146 0.000 1.123 240 M CA 0.157 55.609 55.300 0.253 0.000 1.060 240 M CB -0.912 31.770 32.600 0.135 0.000 1.535 240 M HN 0.472 nan 8.290 nan 0.000 0.507 241 A N 1.413 124.275 122.820 0.070 0.000 2.032 241 A HA -0.155 4.153 4.320 -0.020 0.000 0.221 241 A C 1.951 179.505 177.584 -0.050 0.000 1.165 241 A CA 1.534 53.592 52.037 0.035 0.000 0.645 241 A CB -0.873 18.151 19.000 0.039 0.000 0.807 241 A HN 0.674 nan 8.150 nan 0.000 0.453 242 I N -5.151 115.256 120.570 -0.273 0.000 3.956 242 I HA 0.312 4.470 4.170 -0.020 0.000 0.333 242 I C -0.373 175.343 176.117 -0.669 0.000 1.302 242 I CA -0.546 60.429 61.300 -0.541 0.000 1.122 242 I CB 0.075 37.529 38.000 -0.910 0.000 1.013 242 I HN 0.117 nan 8.210 nan 0.000 0.405 243 Y N 0.777 121.047 120.300 -0.050 0.000 2.446 243 Y HA 0.339 4.876 4.550 -0.020 0.000 0.338 243 Y C 0.878 176.778 175.900 0.001 0.000 1.055 243 Y CA -0.851 57.228 58.100 -0.036 0.000 1.101 243 Y CB 1.472 39.912 38.460 -0.034 0.000 1.221 243 Y HN -0.114 nan 8.280 nan 0.000 0.460 244 D N 0.971 121.474 120.400 0.172 0.000 2.123 244 D HA -0.009 4.619 4.640 -0.020 0.000 0.200 244 D C 0.138 176.491 176.300 0.089 0.000 0.976 244 D CA 1.064 55.131 54.000 0.113 0.000 0.831 244 D CB 0.457 41.313 40.800 0.094 0.000 0.974 244 D HN 0.636 nan 8.370 nan 0.000 0.469 245 R N -1.676 118.870 120.500 0.077 0.000 2.753 245 R HA 0.412 4.740 4.340 -0.020 0.000 0.272 245 R C -2.117 174.152 176.300 -0.052 0.000 1.034 245 R CA -1.021 55.084 56.100 0.009 0.000 0.869 245 R CB 1.067 31.371 30.300 0.006 0.000 1.264 245 R HN -0.091 nan 8.270 nan 0.000 0.481 246 V N 0.987 120.843 119.914 -0.098 0.000 2.531 246 V HA 0.574 4.682 4.120 -0.020 0.000 0.301 246 V C -0.983 175.021 176.094 -0.151 0.000 1.034 246 V CA -0.294 61.908 62.300 -0.164 0.000 0.865 246 V CB 1.721 33.414 31.823 -0.217 0.000 0.995 246 V HN 0.914 nan 8.190 nan 0.000 0.424 247 E N 5.429 125.528 120.200 -0.167 0.000 2.165 247 E HA 0.589 4.927 4.350 -0.020 0.000 0.266 247 E C -1.188 175.301 176.600 -0.186 0.000 0.889 247 E CA -0.840 55.470 56.400 -0.151 0.000 0.756 247 E CB 2.259 31.888 29.700 -0.120 0.000 1.131 247 E HN 0.832 nan 8.360 nan 0.000 0.411 248 V N 4.623 124.431 119.914 -0.177 0.000 2.334 248 V HA 0.399 4.507 4.120 -0.020 0.000 0.281 248 V C -1.147 174.839 176.094 -0.179 0.000 1.016 248 V CA -0.822 61.358 62.300 -0.200 0.000 0.832 248 V CB 1.024 32.717 31.823 -0.217 0.000 0.999 248 V HN 0.701 nan 8.190 nan 0.000 0.439 249 L N 7.781 128.888 121.223 -0.194 0.000 2.275 249 L HA 0.588 4.916 4.340 -0.020 0.000 0.288 249 L C 0.077 176.829 176.870 -0.197 0.000 1.046 249 L CA 0.203 54.934 54.840 -0.182 0.000 0.805 249 L CB 1.031 42.980 42.059 -0.183 0.000 1.193 249 L HN 0.680 nan 8.230 nan 0.000 0.426 250 K N 4.042 124.326 120.400 -0.194 0.000 2.207 250 K HA 0.841 5.149 4.320 -0.020 0.000 0.255 250 K C 0.073 176.524 176.600 -0.248 0.000 0.941 250 K CA -0.203 55.949 56.287 -0.225 0.000 0.825 250 K CB 1.913 34.269 32.500 -0.240 0.000 1.119 250 K HN 0.846 nan 8.250 nan 0.000 0.430 251 G N 1.114 109.752 108.800 -0.271 0.000 2.436 251 G HA2 0.047 3.995 3.960 -0.020 0.000 0.205 251 G HA3 0.047 3.995 3.960 -0.020 0.000 0.205 251 G C -1.540 173.200 174.900 -0.266 0.000 1.188 251 G CA -0.266 44.671 45.100 -0.272 0.000 1.267 251 G HN 0.761 nan 8.290 nan 0.000 0.536 252 A N 0.263 122.924 122.820 -0.264 0.000 2.319 252 A HA 0.807 5.115 4.320 -0.020 0.000 0.310 252 A C 0.362 177.803 177.584 -0.239 0.000 1.152 252 A CA 0.855 52.725 52.037 -0.279 0.000 0.783 252 A CB 1.220 20.032 19.000 -0.313 0.000 1.184 252 A HN 2.131 nan 8.150 nan 0.000 0.474 253 T N -0.425 113.990 114.554 -0.231 0.000 3.374 253 T HA 0.347 4.686 4.350 -0.020 0.000 0.267 253 T C 1.226 175.801 174.700 -0.210 0.000 0.996 253 T CA 0.512 62.492 62.100 -0.201 0.000 0.977 253 T CB 0.284 69.026 68.868 -0.210 0.000 1.149 253 T HN 0.858 nan 8.240 nan 0.000 0.517 254 G N 1.854 110.528 108.800 -0.209 0.000 2.442 254 G HA2 -0.158 3.790 3.960 -0.020 0.000 0.219 254 G HA3 -0.158 3.790 3.960 -0.020 0.000 0.219 254 G C 1.254 176.032 174.900 -0.203 0.000 1.141 254 G CA 1.003 45.973 45.100 -0.216 0.000 0.763 254 G HN 0.527 nan 8.290 nan 0.000 0.554 255 L N 0.177 121.297 121.223 -0.170 0.000 1.997 255 L HA -0.091 4.237 4.340 -0.020 0.000 0.216 255 L C 2.450 179.108 176.870 -0.353 0.000 1.074 255 L CA 1.896 56.607 54.840 -0.215 0.000 0.763 255 L CB -0.283 41.646 42.059 -0.217 0.000 0.890 255 L HN 0.270 nan 8.230 nan 0.000 0.434 256 L N -2.757 118.242 121.223 -0.372 0.000 2.609 256 L HA 0.090 4.418 4.340 -0.020 0.000 0.230 256 L C 1.999 178.682 176.870 -0.312 0.000 1.087 256 L CA 0.440 55.008 54.840 -0.453 0.000 0.874 256 L CB -0.458 41.331 42.059 -0.450 0.000 1.114 256 L HN 0.088 nan 8.230 nan 0.000 0.488 257 T N -0.090 114.310 114.554 -0.255 0.000 2.857 257 T HA 0.161 4.499 4.350 -0.020 0.000 0.266 257 T C 1.222 175.804 174.700 -0.196 0.000 1.048 257 T CA 1.098 63.071 62.100 -0.211 0.000 1.139 257 T CB -0.132 68.605 68.868 -0.218 0.000 0.874 257 T HN 0.577 nan 8.240 nan 0.000 0.455 258 G N 1.125 109.793 108.800 -0.221 0.000 2.542 258 G HA2 0.028 3.976 3.960 -0.020 0.000 0.235 258 G HA3 0.028 3.976 3.960 -0.020 0.000 0.235 258 G C 0.082 174.754 174.900 -0.378 0.000 1.286 258 G CA -0.439 44.528 45.100 -0.222 0.000 0.904 258 G HN 0.918 nan 8.290 nan 0.000 0.577 259 A N 0.256 122.783 122.820 -0.488 0.000 2.566 259 A HA 0.645 4.953 4.320 -0.020 0.000 0.245 259 A C 1.182 178.479 177.584 -0.478 0.000 1.056 259 A CA 1.904 53.471 52.037 -0.784 0.000 0.757 259 A CB -0.390 18.058 19.000 -0.919 0.000 0.979 259 A HN 2.620 nan 8.150 nan 0.000 0.508 260 G N 0.740 109.260 108.800 -0.467 0.000 2.554 260 G HA2 0.587 4.535 3.960 -0.020 0.000 0.306 260 G HA3 0.587 4.535 3.960 -0.020 0.000 0.306 260 G C -0.346 174.392 174.900 -0.270 0.000 1.320 260 G CA 0.107 45.027 45.100 -0.300 0.000 0.800 260 G HN 1.490 nan 8.290 nan 0.000 0.481 261 S N -0.963 114.612 115.700 -0.208 0.000 2.632 261 S HA 0.714 5.172 4.470 -0.020 0.000 0.267 261 S C 0.454 174.889 174.600 -0.275 0.000 1.276 261 S CA -0.604 57.477 58.200 -0.197 0.000 0.998 261 S CB 1.130 64.263 63.200 -0.113 0.000 0.953 261 S HN 0.595 nan 8.310 nan 0.000 0.547 262 L N 1.053 122.037 121.223 -0.398 0.000 2.482 262 L HA 0.565 4.893 4.340 -0.020 0.000 0.242 262 L C 1.790 178.422 176.870 -0.396 0.000 1.210 262 L CA 0.715 55.208 54.840 -0.578 0.000 0.819 262 L CB -0.213 41.105 42.059 -1.235 0.000 1.203 262 L HN 1.121 nan 8.230 nan 0.000 0.495 263 G N -0.162 108.443 108.800 -0.324 0.000 3.922 263 G HA2 -0.011 3.938 3.960 -0.020 0.000 0.208 263 G HA3 -0.011 3.938 3.960 -0.020 0.000 0.208 263 G C -0.090 174.710 174.900 -0.168 0.000 1.491 263 G CA 0.154 45.192 45.100 -0.103 0.000 1.017 263 G HN 1.361 nan 8.290 nan 0.000 0.603 264 A N -2.036 120.666 122.820 -0.195 0.000 2.522 264 A HA 0.747 5.055 4.320 -0.020 0.000 0.291 264 A C -0.626 176.805 177.584 -0.255 0.000 1.039 264 A CA 0.861 52.766 52.037 -0.220 0.000 0.643 264 A CB 0.481 19.359 19.000 -0.205 0.000 1.310 264 A HN 1.344 nan 8.150 nan 0.000 0.436 265 T N 0.821 115.214 114.554 -0.268 0.000 2.885 265 T HA 0.662 5.000 4.350 -0.020 0.000 0.285 265 T C -0.513 173.979 174.700 -0.346 0.000 1.019 265 T CA -0.155 61.757 62.100 -0.314 0.000 1.010 265 T CB 1.009 69.716 68.868 -0.269 0.000 1.022 265 T HN 0.482 nan 8.240 nan 0.000 0.466 266 I N 3.389 123.689 120.570 -0.450 0.000 2.330 266 I HA 0.366 4.524 4.170 -0.020 0.000 0.289 266 I C -0.132 175.763 176.117 -0.370 0.000 1.001 266 I CA -0.669 60.379 61.300 -0.421 0.000 1.193 266 I CB 1.081 38.763 38.000 -0.530 0.000 1.345 266 I HN 0.408 nan 8.210 nan 0.000 0.461 267 N N 7.303 125.815 118.700 -0.313 0.000 2.446 267 N HA 0.532 5.260 4.740 -0.020 0.000 0.265 267 N C -1.495 173.831 175.510 -0.307 0.000 0.975 267 N CA -0.418 52.450 53.050 -0.303 0.000 0.928 267 N CB 1.090 39.443 38.487 -0.224 0.000 1.160 267 N HN 0.340 nan 8.380 nan 0.000 0.495 268 L N 4.069 125.052 121.223 -0.400 0.000 2.296 268 L HA 0.525 4.853 4.340 -0.020 0.000 0.286 268 L C -0.227 176.561 176.870 -0.137 0.000 1.023 268 L CA -0.542 54.059 54.840 -0.397 0.000 0.812 268 L CB 1.272 42.863 42.059 -0.781 0.000 1.223 268 L HN 0.405 nan 8.230 nan 0.000 0.421 269 I N 3.229 123.800 120.570 0.002 0.000 2.336 269 I HA 0.378 4.536 4.170 -0.020 0.000 0.292 269 I C 0.567 176.838 176.117 0.257 0.000 0.991 269 I CA -0.472 60.887 61.300 0.098 0.000 1.227 269 I CB 1.281 39.313 38.000 0.053 0.000 1.366 269 I HN 0.589 nan 8.210 nan 0.000 0.466 270 R N 4.123 124.745 120.500 0.204 0.000 2.594 270 R HA 0.213 4.541 4.340 -0.020 0.000 0.272 270 R C 0.094 176.451 176.300 0.096 0.000 1.074 270 R CA -0.608 55.539 56.100 0.079 0.000 1.105 270 R CB 0.956 31.241 30.300 -0.025 0.000 1.008 270 R HN 0.447 nan 8.270 nan 0.000 0.472 271 K N 2.093 122.527 120.400 0.057 0.000 2.414 271 K HA 0.023 4.332 4.320 -0.020 0.000 0.272 271 K C -0.026 176.714 176.600 0.232 0.000 0.993 271 K CA 0.632 57.005 56.287 0.142 0.000 0.964 271 K CB 0.567 33.156 32.500 0.148 0.000 0.925 271 K HN 0.287 nan 8.250 nan 0.000 0.487 272 K N 2.358 122.853 120.400 0.159 0.000 2.340 272 K HA 0.417 4.725 4.320 -0.020 0.000 0.244 272 K C -2.461 174.175 176.600 0.060 0.000 0.973 272 K CA -2.162 54.206 56.287 0.135 0.000 0.828 272 K CB 1.604 34.174 32.500 0.117 0.000 1.226 272 K HN 0.326 nan 8.250 nan 0.000 0.437 273 P HA 0.100 nan 4.420 nan 0.000 0.275 273 P C -0.756 176.503 177.300 -0.067 0.000 1.266 273 P CA -0.312 62.751 63.100 -0.061 0.000 0.793 273 P CB 0.540 32.169 31.700 -0.118 0.000 1.074 274 T N -4.416 110.072 114.554 -0.111 0.000 2.865 274 T HA 0.396 4.734 4.350 -0.020 0.000 0.294 274 T C 0.396 174.992 174.700 -0.174 0.000 1.119 274 T CA -0.331 61.722 62.100 -0.078 0.000 1.007 274 T CB 0.910 69.758 68.868 -0.034 0.000 1.225 274 T HN 0.258 nan 8.240 nan 0.000 0.515 275 H N -0.117 118.911 119.070 -0.070 0.000 2.544 275 H HA 0.250 4.794 4.556 -0.019 0.000 0.269 275 H C 0.547 175.835 175.328 -0.067 0.000 0.970 275 H CA 0.558 56.554 56.048 -0.086 0.000 1.219 275 H CB 0.357 30.036 29.762 -0.138 0.000 1.421 275 H HN 0.732 nan 8.280 nan 0.000 0.555 276 E N 0.099 120.329 120.200 0.049 0.000 2.212 276 E HA 0.208 4.546 4.350 -0.020 0.000 0.270 276 E C -0.881 175.756 176.600 0.063 0.000 0.956 276 E CA -1.117 55.316 56.400 0.053 0.000 0.825 276 E CB 1.378 31.101 29.700 0.038 0.000 1.167 276 E HN 0.074 nan 8.360 nan 0.000 0.400 277 F N 2.413 122.354 119.950 -0.015 0.000 2.529 277 F HA 0.229 4.744 4.527 -0.020 0.000 0.365 277 F C -0.187 175.626 175.800 0.022 0.000 1.102 277 F CA 0.376 58.370 58.000 -0.009 0.000 1.271 277 F CB 0.420 39.411 39.000 -0.014 0.000 1.120 277 F HN 0.591 nan 8.300 nan 0.000 0.579 278 K N 4.289 124.044 120.400 -1.076 0.000 2.587 278 K HA 0.816 5.124 4.320 -0.020 0.000 0.276 278 K C -1.342 174.798 176.600 -0.766 0.000 0.956 278 K CA -0.987 54.783 56.287 -0.862 0.000 0.857 278 K CB 1.549 33.873 32.500 -0.293 0.000 1.431 278 K HN 0.926 nan 8.250 nan 0.000 0.420 279 G N 0.967 109.506 108.800 -0.434 0.000 2.600 279 G HA2 0.621 4.569 3.960 -0.020 0.000 0.293 279 G HA3 0.621 4.569 3.960 -0.020 0.000 0.293 279 G C -1.855 172.607 174.900 -0.731 0.000 1.408 279 G CA -0.694 44.194 45.100 -0.354 0.000 0.782 279 G HN 0.999 nan 8.290 nan 0.000 0.482 280 H N -2.569 116.099 119.070 -0.670 0.000 3.017 280 H HA 0.769 5.313 4.556 -0.020 0.000 0.346 280 H C -1.818 173.253 175.328 -0.428 0.000 1.286 280 H CA -0.976 54.601 56.048 -0.786 0.000 1.120 280 H CB 1.597 31.128 29.762 -0.384 0.000 1.860 280 H HN 0.580 nan 8.280 nan 0.000 0.542 281 V N 0.610 120.451 119.914 -0.123 0.000 2.823 281 V HA 0.426 4.534 4.120 -0.020 0.000 0.312 281 V C -0.334 175.898 176.094 0.230 0.000 1.072 281 V CA -0.734 61.633 62.300 0.112 0.000 0.937 281 V CB 2.086 34.059 31.823 0.249 0.000 1.013 281 V HN 0.863 nan 8.190 nan 0.000 0.430 282 E N 2.253 122.585 120.200 0.221 0.000 2.331 282 E HA 0.784 5.122 4.350 -0.020 0.000 0.275 282 E C -1.966 174.738 176.600 0.173 0.000 0.895 282 E CA -0.601 55.914 56.400 0.193 0.000 0.753 282 E CB 2.417 32.227 29.700 0.184 0.000 1.216 282 E HN 0.584 nan 8.360 nan 0.000 0.434 283 L N 1.898 123.216 121.223 0.158 0.000 2.445 283 L HA 0.795 5.124 4.340 -0.020 0.000 0.262 283 L C -0.349 176.608 176.870 0.145 0.000 0.974 283 L CA -0.841 54.094 54.840 0.158 0.000 0.822 283 L CB 2.379 44.534 42.059 0.160 0.000 1.339 283 L HN 0.682 nan 8.230 nan 0.000 0.409 284 G N 1.371 110.262 108.800 0.152 0.000 2.706 284 G HA2 0.792 4.740 3.960 -0.020 0.000 0.297 284 G HA3 0.792 4.740 3.960 -0.020 0.000 0.297 284 G C -1.897 173.086 174.900 0.138 0.000 1.403 284 G CA -0.406 44.775 45.100 0.134 0.000 0.954 284 G HN 0.724 nan 8.290 nan 0.000 0.500 285 A N 0.224 123.114 122.820 0.116 0.000 2.408 285 A HA 0.955 5.264 4.320 -0.020 0.000 0.295 285 A C 0.084 177.680 177.584 0.019 0.000 1.040 285 A CA 0.027 52.064 52.037 0.000 0.000 0.707 285 A CB 1.687 20.706 19.000 0.033 0.000 1.235 285 A HN 1.788 nan 8.150 nan 0.000 0.418 286 G N 0.178 108.908 108.800 -0.115 0.000 2.730 286 G HA2 0.581 4.529 3.960 -0.020 0.000 0.289 286 G HA3 0.581 4.529 3.960 -0.020 0.000 0.289 286 G C -0.230 174.545 174.900 -0.208 0.000 1.341 286 G CA -0.470 44.568 45.100 -0.103 0.000 0.932 286 G HN 0.919 nan 8.290 nan 0.000 0.481 287 S N 0.356 115.851 115.700 -0.341 0.000 2.554 287 S HA 0.080 4.538 4.470 -0.020 0.000 0.290 287 S C -0.030 174.304 174.600 -0.443 0.000 1.309 287 S CA 0.717 58.500 58.200 -0.695 0.000 1.047 287 S CB -0.148 62.193 63.200 -1.431 0.000 0.828 287 S HN 0.721 nan 8.310 nan 0.000 0.509 288 W N 1.161 122.478 121.300 0.028 0.000 5.361 288 W HA -0.180 4.468 4.660 -0.020 0.000 0.385 288 W C -0.321 176.204 176.519 0.011 0.000 1.458 288 W CA 0.388 57.761 57.345 0.046 0.000 0.922 288 W CB -2.957 26.578 29.460 0.125 0.000 2.606 288 W HN 0.949 nan 8.180 nan 0.000 1.450 289 D N -0.520 119.867 120.400 -0.020 0.000 2.705 289 D HA -0.211 4.417 4.640 -0.020 0.000 0.240 289 D C 0.066 176.292 176.300 -0.124 0.000 1.137 289 D CA 1.333 55.248 54.000 -0.142 0.000 0.677 289 D CB -1.231 39.585 40.800 0.027 0.000 1.049 289 D HN 0.325 nan 8.370 nan 0.000 0.427 290 N N 0.930 119.472 118.700 -0.263 0.000 2.485 290 N HA 0.241 4.969 4.740 -0.020 0.000 0.243 290 N C -1.404 173.938 175.510 -0.279 0.000 0.987 290 N CA -0.134 52.850 53.050 -0.109 0.000 0.940 290 N CB 0.382 38.864 38.487 -0.009 0.000 1.122 290 N HN 0.058 nan 8.380 nan 0.000 0.509 291 Y N 1.717 122.046 120.300 0.047 0.000 2.393 291 Y HA 0.483 5.021 4.550 -0.020 0.000 0.341 291 Y C 0.497 176.391 175.900 -0.010 0.000 0.988 291 Y CA -0.892 57.226 58.100 0.031 0.000 1.078 291 Y CB 1.773 40.253 38.460 0.033 0.000 1.203 291 Y HN 0.353 nan 8.280 nan 0.000 0.453 292 R N 1.775 122.384 120.500 0.183 0.000 2.604 292 R HA 0.756 5.084 4.340 -0.020 0.000 0.281 292 R C -1.502 174.883 176.300 0.143 0.000 1.020 292 R CA -0.522 55.643 56.100 0.108 0.000 0.899 292 R CB 1.589 31.935 30.300 0.076 0.000 1.205 292 R HN 0.799 nan 8.270 nan 0.000 0.450 293 S N 1.818 117.606 115.700 0.146 0.000 2.634 293 S HA 0.618 5.076 4.470 -0.020 0.000 0.296 293 S C -0.987 173.700 174.600 0.145 0.000 1.104 293 S CA -0.792 57.506 58.200 0.163 0.000 0.920 293 S CB 2.228 65.541 63.200 0.189 0.000 1.111 293 S HN 0.742 nan 8.310 nan 0.000 0.493 294 E N 0.184 120.469 120.200 0.141 0.000 2.363 294 E HA 0.545 4.884 4.350 -0.020 0.000 0.281 294 E C -2.392 174.264 176.600 0.094 0.000 0.953 294 E CA -0.780 55.689 56.400 0.115 0.000 0.778 294 E CB 1.788 31.564 29.700 0.126 0.000 1.220 294 E HN 0.603 nan 8.360 nan 0.000 0.431 295 L N 3.411 124.659 121.223 0.042 0.000 2.408 295 L HA 0.657 4.986 4.340 -0.020 0.000 0.268 295 L C -1.923 174.888 176.870 -0.098 0.000 0.986 295 L CA -0.275 54.557 54.840 -0.012 0.000 0.820 295 L CB 1.988 44.081 42.059 0.056 0.000 1.303 295 L HN 0.562 nan 8.230 nan 0.000 0.411 296 D N 3.552 123.795 120.400 -0.261 0.000 2.763 296 D HA 0.570 5.198 4.640 -0.020 0.000 0.235 296 D C -1.829 174.326 176.300 -0.242 0.000 1.334 296 D CA -0.017 53.805 54.000 -0.298 0.000 0.950 296 D CB 1.888 42.346 40.800 -0.570 0.000 1.433 296 D HN 0.319 nan 8.370 nan 0.000 0.580 297 V N 1.693 121.533 119.914 -0.123 0.000 2.638 297 V HA 0.814 4.922 4.120 -0.020 0.000 0.306 297 V C -0.234 175.778 176.094 -0.137 0.000 1.052 297 V CA -0.804 61.431 62.300 -0.108 0.000 0.885 297 V CB 1.699 33.524 31.823 0.003 0.000 0.999 297 V HN 0.521 nan 8.190 nan 0.000 0.424 298 S N 1.941 117.507 115.700 -0.222 0.000 2.536 298 S HA 0.965 5.423 4.470 -0.020 0.000 0.271 298 S C -0.343 174.154 174.600 -0.172 0.000 1.134 298 S CA 0.420 58.515 58.200 -0.174 0.000 0.897 298 S CB 1.805 64.910 63.200 -0.159 0.000 1.094 298 S HN 1.987 nan 8.310 nan 0.000 0.473 299 G N 2.994 111.736 108.800 -0.097 0.000 2.324 299 G HA2 0.375 4.323 3.960 -0.020 0.000 0.293 299 G HA3 0.375 4.323 3.960 -0.020 0.000 0.293 299 G C -3.615 171.241 174.900 -0.073 0.000 1.297 299 G CA -0.660 44.415 45.100 -0.042 0.000 0.853 299 G HN 0.567 nan 8.290 nan 0.000 0.535 300 P HA 0.386 nan 4.420 nan 0.000 0.276 300 P C 0.376 177.633 177.300 -0.070 0.000 1.230 300 P CA -0.237 62.805 63.100 -0.097 0.000 0.776 300 P CB 1.366 33.030 31.700 -0.060 0.000 0.888 301 L N 1.473 122.632 121.223 -0.107 0.000 2.693 301 L HA 0.179 4.507 4.340 -0.020 0.000 0.235 301 L C 0.972 177.797 176.870 -0.074 0.000 1.127 301 L CA 0.412 55.196 54.840 -0.093 0.000 0.914 301 L CB 0.103 42.082 42.059 -0.132 0.000 1.193 301 L HN 0.497 nan 8.230 nan 0.000 0.502 302 T N -5.452 109.063 114.554 -0.065 0.000 2.900 302 T HA 0.220 4.559 4.350 -0.020 0.000 0.303 302 T C 0.739 175.421 174.700 -0.029 0.000 1.142 302 T CA -0.744 61.331 62.100 -0.041 0.000 1.007 302 T CB 1.730 70.580 68.868 -0.030 0.000 1.156 302 T HN 0.207 nan 8.240 nan 0.000 0.490 303 E N 1.373 121.561 120.200 -0.020 0.000 2.130 303 E HA -0.211 4.127 4.350 -0.020 0.000 0.196 303 E C 1.830 178.427 176.600 -0.006 0.000 0.998 303 E CA 1.762 58.154 56.400 -0.013 0.000 0.806 303 E CB -0.493 29.201 29.700 -0.010 0.000 0.738 303 E HN 0.697 nan 8.360 nan 0.000 0.459 304 S N -0.166 115.534 115.700 -0.000 0.000 2.470 304 S HA 0.194 4.652 4.470 -0.020 0.000 0.225 304 S C 1.756 176.366 174.600 0.016 0.000 1.006 304 S CA 0.210 58.416 58.200 0.010 0.000 0.934 304 S CB 0.207 63.418 63.200 0.018 0.000 0.778 304 S HN 0.602 nan 8.310 nan 0.000 0.517 305 G N 2.845 111.645 108.800 0.001 0.000 2.132 305 G HA2 -0.287 3.661 3.960 -0.020 0.000 0.234 305 G HA3 -0.287 3.661 3.960 -0.020 0.000 0.234 305 G C 0.565 175.458 174.900 -0.012 0.000 0.989 305 G CA 0.238 45.336 45.100 -0.004 0.000 0.676 305 G HN 0.656 nan 8.290 nan 0.000 0.522 306 N N -0.246 118.449 118.700 -0.009 0.000 2.446 306 N HA 0.119 4.847 4.740 -0.020 0.000 0.179 306 N C 0.967 176.445 175.510 -0.053 0.000 1.054 306 N CA 1.044 54.097 53.050 0.005 0.000 0.905 306 N CB 0.244 38.754 38.487 0.039 0.000 0.973 306 N HN 1.231 nan 8.380 nan 0.000 0.448 307 V N -0.533 119.306 119.914 -0.126 0.000 2.581 307 V HA 0.685 4.794 4.120 -0.020 0.000 0.303 307 V C -0.907 175.015 176.094 -0.288 0.000 1.041 307 V CA -0.884 61.239 62.300 -0.294 0.000 0.907 307 V CB 1.725 33.273 31.823 -0.459 0.000 0.994 307 V HN 0.116 nan 8.190 nan 0.000 0.442 308 R N 3.204 123.498 120.500 -0.343 0.000 2.707 308 R HA 0.831 5.160 4.340 -0.020 0.000 0.272 308 R C -0.450 175.686 176.300 -0.273 0.000 1.011 308 R CA -0.200 55.729 56.100 -0.285 0.000 0.893 308 R CB 2.520 32.624 30.300 -0.327 0.000 1.233 308 R HN 1.137 nan 8.270 nan 0.000 0.464 309 G N 0.639 109.313 108.800 -0.209 0.000 2.690 309 G HA2 0.656 4.604 3.960 -0.020 0.000 0.291 309 G HA3 0.656 4.604 3.960 -0.020 0.000 0.291 309 G C -1.772 173.034 174.900 -0.156 0.000 1.403 309 G CA -0.618 44.366 45.100 -0.193 0.000 0.864 309 G HN 0.434 nan 8.290 nan 0.000 0.480 310 R N -0.403 119.991 120.500 -0.176 0.000 2.604 310 R HA 0.725 5.054 4.340 -0.020 0.000 0.281 310 R C -1.108 175.058 176.300 -0.223 0.000 1.020 310 R CA -0.501 55.504 56.100 -0.159 0.000 0.899 310 R CB 2.034 32.271 30.300 -0.104 0.000 1.205 310 R HN 0.976 nan 8.270 nan 0.000 0.450 311 A N 3.161 125.898 122.820 -0.138 0.000 2.393 311 A HA 0.664 4.972 4.320 -0.020 0.000 0.306 311 A C -1.364 176.212 177.584 -0.013 0.000 1.050 311 A CA -0.626 51.345 52.037 -0.109 0.000 0.724 311 A CB 1.842 20.801 19.000 -0.068 0.000 1.248 311 A HN 0.660 nan 8.150 nan 0.000 0.424 312 V N 0.363 120.324 119.914 0.078 0.000 2.789 312 V HA 0.974 5.082 4.120 -0.020 0.000 0.311 312 V C -0.454 175.724 176.094 0.140 0.000 1.073 312 V CA 0.016 62.383 62.300 0.112 0.000 0.921 312 V CB 1.599 33.500 31.823 0.131 0.000 1.009 312 V HN 2.137 nan 8.190 nan 0.000 0.426 313 A N 4.127 126.997 122.820 0.083 0.000 2.422 313 A HA 1.072 5.380 4.320 -0.020 0.000 0.302 313 A C -0.334 177.252 177.584 0.004 0.000 1.041 313 A CA -0.171 51.885 52.037 0.031 0.000 0.708 313 A CB 1.784 20.845 19.000 0.101 0.000 1.257 313 A HN 2.534 nan 8.150 nan 0.000 0.414 314 A N 0.860 123.649 122.820 -0.052 0.000 2.549 314 A HA 0.779 5.087 4.320 -0.020 0.000 0.297 314 A C -1.790 175.840 177.584 0.077 0.000 1.061 314 A CA -0.408 51.648 52.037 0.032 0.000 0.690 314 A CB 1.308 20.330 19.000 0.036 0.000 1.287 314 A HN 1.851 nan 8.150 nan 0.000 0.402 315 Y N 0.616 120.908 120.300 -0.014 0.000 2.479 315 Y HA 0.668 5.205 4.550 -0.022 0.000 0.338 315 Y C -0.822 175.113 175.900 0.058 0.000 1.055 315 Y CA -0.493 57.610 58.100 0.006 0.000 1.023 315 Y CB 2.033 40.500 38.460 0.012 0.000 1.287 315 Y HN 0.883 nan 8.280 nan 0.000 0.447 316 Q N 4.442 123.974 119.800 -0.447 0.000 2.284 316 Q HA 0.396 4.725 4.340 -0.020 0.000 0.269 316 Q C -2.453 173.274 176.000 -0.456 0.000 1.026 316 Q CA -0.710 54.898 55.803 -0.326 0.000 0.831 316 Q CB 1.823 30.508 28.738 -0.089 0.000 1.322 316 Q HN 0.668 nan 8.270 nan 0.000 0.419 317 D N 3.255 123.470 120.400 -0.308 0.000 2.549 317 D HA 0.359 4.987 4.640 -0.020 0.000 0.251 317 D C -1.630 174.703 176.300 0.056 0.000 1.153 317 D CA -0.308 53.597 54.000 -0.157 0.000 0.861 317 D CB 1.015 41.742 40.800 -0.121 0.000 1.207 317 D HN 0.593 nan 8.370 nan 0.000 0.543 318 K N 2.139 122.570 120.400 0.053 0.000 2.435 318 K HA 0.548 4.856 4.320 -0.020 0.000 0.251 318 K C -0.272 176.412 176.600 0.141 0.000 0.954 318 K CA -0.815 55.564 56.287 0.152 0.000 0.820 318 K CB 2.300 34.891 32.500 0.150 0.000 1.292 318 K HN 0.293 nan 8.250 nan 0.000 0.436 319 H N -0.189 118.965 119.070 0.140 0.000 3.209 319 H HA 0.530 5.075 4.556 -0.018 0.000 0.225 319 H C -0.508 174.942 175.328 0.203 0.000 1.599 319 H CA -1.060 55.068 56.048 0.133 0.000 1.691 319 H CB 1.859 31.705 29.762 0.140 0.000 1.473 319 H HN 0.618 nan 8.280 nan 0.000 0.981 320 S N -0.926 114.930 115.700 0.259 0.000 2.611 320 S HA 0.095 4.554 4.470 -0.020 0.000 0.268 320 S C 0.093 174.324 174.600 -0.616 0.000 1.156 320 S CA -0.591 57.570 58.200 -0.065 0.000 0.817 320 S CB 0.262 63.387 63.200 -0.126 0.000 1.122 320 S HN 0.524 nan 8.310 nan 0.000 0.466 321 F N 1.464 120.615 119.950 -1.332 0.000 2.365 321 F HA 0.387 4.904 4.527 -0.017 0.000 0.300 321 F C 0.809 176.279 175.800 -0.550 0.000 1.090 321 F CA 0.275 57.464 58.000 -1.352 0.000 1.408 321 F CB -0.447 37.703 39.000 -1.418 0.000 1.060 321 F HN 0.311 nan 8.300 nan 0.000 0.534 322 M N 2.066 120.926 119.600 -1.233 0.000 2.200 322 M HA 0.058 4.527 4.480 -0.020 0.000 0.355 322 M C -0.119 175.927 176.300 -0.423 0.000 1.283 322 M CA -0.141 54.695 55.300 -0.774 0.000 1.124 322 M CB 0.353 32.451 32.600 -0.837 0.000 1.625 322 M HN 0.066 nan 8.290 nan 0.000 0.463 323 D N 2.803 123.015 120.400 -0.313 0.000 2.472 323 D HA -0.107 4.521 4.640 -0.020 0.000 0.237 323 D C 0.874 176.909 176.300 -0.440 0.000 1.141 323 D CA 0.877 54.748 54.000 -0.216 0.000 0.875 323 D CB 0.452 41.204 40.800 -0.081 0.000 1.192 323 D HN 0.825 nan 8.370 nan 0.000 0.450 324 H N 1.002 120.031 119.070 -0.068 0.000 2.781 324 H HA -0.316 4.228 4.556 -0.020 0.000 0.301 324 H C -1.317 173.993 175.328 -0.030 0.000 1.124 324 H CA 0.650 56.659 56.048 -0.064 0.000 1.154 324 H CB -2.670 27.004 29.762 -0.147 0.000 1.355 324 H HN 0.466 nan 8.280 nan 0.000 0.385 325 Y N 1.817 121.957 120.300 -0.267 0.000 2.341 325 Y HA 0.485 5.024 4.550 -0.018 0.000 0.337 325 Y C 0.086 175.873 175.900 -0.189 0.000 1.014 325 Y CA -0.272 57.695 58.100 -0.221 0.000 1.111 325 Y CB 1.306 39.599 38.460 -0.277 0.000 1.194 325 Y HN 0.552 nan 8.280 nan 0.000 0.462 326 E N 4.611 124.306 120.200 -0.842 0.000 2.413 326 E HA 0.597 4.935 4.350 -0.020 0.000 0.277 326 E C -1.798 174.355 176.600 -0.745 0.000 0.958 326 E CA -1.411 54.564 56.400 -0.710 0.000 0.779 326 E CB 2.296 31.575 29.700 -0.702 0.000 1.278 326 E HN 0.624 nan 8.360 nan 0.000 0.456 327 R N 1.294 121.554 120.500 -0.400 0.000 2.510 327 R HA 0.314 4.642 4.340 -0.020 0.000 0.287 327 R C -1.423 174.816 176.300 -0.102 0.000 1.084 327 R CA -0.665 55.299 56.100 -0.227 0.000 0.934 327 R CB 1.383 31.616 30.300 -0.111 0.000 1.201 327 R HN 0.542 nan 8.270 nan 0.000 0.431 328 K N 2.660 123.030 120.400 -0.050 0.000 2.211 328 K HA 0.269 4.577 4.320 -0.020 0.000 0.275 328 K C -0.463 176.164 176.600 0.045 0.000 1.024 328 K CA -0.574 55.709 56.287 -0.007 0.000 0.887 328 K CB 1.917 34.495 32.500 0.130 0.000 1.084 328 K HN 0.633 nan 8.250 nan 0.000 0.463 329 T N -0.892 113.671 114.554 0.014 0.000 2.863 329 T HA 0.490 4.828 4.350 -0.020 0.000 0.285 329 T C -0.530 174.269 174.700 0.166 0.000 1.009 329 T CA -0.648 61.496 62.100 0.072 0.000 0.989 329 T CB 1.356 70.242 68.868 0.031 0.000 1.004 329 T HN 0.332 nan 8.240 nan 0.000 0.455 330 S N 1.758 117.564 115.700 0.176 0.000 2.526 330 S HA 0.776 5.234 4.470 -0.020 0.000 0.293 330 S C -0.769 173.852 174.600 0.035 0.000 1.092 330 S CA -0.784 57.510 58.200 0.157 0.000 0.980 330 S CB 1.574 64.912 63.200 0.230 0.000 1.048 330 S HN 1.358 nan 8.310 nan 0.000 0.483 331 V N 2.527 122.349 119.914 -0.153 0.000 2.733 331 V HA 0.793 4.901 4.120 -0.020 0.000 0.306 331 V C -2.400 173.538 176.094 -0.260 0.000 1.084 331 V CA -0.474 61.777 62.300 -0.081 0.000 0.905 331 V CB 1.317 33.141 31.823 0.001 0.000 1.010 331 V HN 0.852 nan 8.190 nan 0.000 0.424 332 Y N 5.356 125.830 120.300 0.289 0.000 2.512 332 Y HA 0.816 5.353 4.550 -0.022 0.000 0.348 332 Y C -0.898 175.174 175.900 0.286 0.000 0.990 332 Y CA -0.778 57.456 58.100 0.223 0.000 1.033 332 Y CB 2.339 40.885 38.460 0.143 0.000 1.259 332 Y HN 0.848 nan 8.280 nan 0.000 0.461 333 Y N 0.793 121.223 120.300 0.215 0.000 2.442 333 Y HA 0.743 5.281 4.550 -0.020 0.000 0.330 333 Y C -1.021 174.932 175.900 0.089 0.000 1.100 333 Y CA -1.403 56.776 58.100 0.131 0.000 1.034 333 Y CB 2.003 40.499 38.460 0.060 0.000 1.285 333 Y HN 0.696 nan 8.280 nan 0.000 0.440 334 G N 5.954 114.515 108.800 -0.399 0.000 2.687 334 G HA2 0.641 4.589 3.960 -0.020 0.000 0.301 334 G HA3 0.641 4.589 3.960 -0.020 0.000 0.301 334 G C -2.256 172.328 174.900 -0.526 0.000 1.416 334 G CA -0.752 44.080 45.100 -0.445 0.000 1.005 334 G HN 0.815 nan 8.290 nan 0.000 0.509 335 I N 1.696 121.978 120.570 -0.480 0.000 2.644 335 I HA 0.603 4.761 4.170 -0.020 0.000 0.291 335 I C -1.606 174.387 176.117 -0.206 0.000 1.180 335 I CA -1.051 60.073 61.300 -0.294 0.000 1.040 335 I CB 1.953 39.840 38.000 -0.187 0.000 1.255 335 I HN 0.358 nan 8.210 nan 0.000 0.422 336 L N 6.656 127.788 121.223 -0.152 0.000 2.386 336 L HA 0.570 4.898 4.340 -0.020 0.000 0.271 336 L C -0.926 175.842 176.870 -0.171 0.000 0.993 336 L CA -0.546 54.158 54.840 -0.226 0.000 0.819 336 L CB 2.188 44.112 42.059 -0.224 0.000 1.294 336 L HN 0.532 nan 8.230 nan 0.000 0.414 337 E N 2.501 122.528 120.200 -0.288 0.000 2.191 337 E HA 0.470 4.808 4.350 -0.020 0.000 0.263 337 E C -1.637 174.821 176.600 -0.237 0.000 0.881 337 E CA -0.504 55.822 56.400 -0.123 0.000 0.757 337 E CB 1.834 31.490 29.700 -0.074 0.000 1.147 337 E HN 0.217 nan 8.360 nan 0.000 0.414 338 F N 1.673 121.618 119.950 -0.008 0.000 2.458 338 F HA 0.271 4.786 4.527 -0.020 0.000 0.336 338 F C 0.236 176.043 175.800 0.012 0.000 1.114 338 F CA -1.041 56.956 58.000 -0.006 0.000 0.987 338 F CB 1.168 40.163 39.000 -0.008 0.000 1.130 338 F HN 0.227 nan 8.300 nan 0.000 0.458 339 D N 4.811 125.312 120.400 0.169 0.000 2.468 339 D HA 0.217 4.845 4.640 -0.020 0.000 0.218 339 D C 1.384 177.754 176.300 0.115 0.000 1.155 339 D CA 0.137 54.211 54.000 0.123 0.000 0.924 339 D CB 0.872 41.728 40.800 0.093 0.000 1.029 339 D HN 0.500 nan 8.370 nan 0.000 0.515 340 L N 1.851 123.138 121.223 0.107 0.000 2.042 340 L HA -0.212 4.116 4.340 -0.020 0.000 0.210 340 L C 0.771 177.678 176.870 0.062 0.000 1.076 340 L CA 1.246 56.130 54.840 0.074 0.000 0.749 340 L CB -0.410 41.681 42.059 0.053 0.000 0.893 340 L HN 0.385 nan 8.230 nan 0.000 0.432 341 N N -3.973 114.765 118.700 0.064 0.000 3.020 341 N HA 0.223 4.951 4.740 -0.020 0.000 0.248 341 N C -2.518 173.021 175.510 0.049 0.000 1.480 341 N CA -1.565 51.517 53.050 0.054 0.000 0.874 341 N CB 0.299 38.816 38.487 0.050 0.000 1.433 341 N HN -0.389 nan 8.380 nan 0.000 0.530 342 P HA -0.039 nan 4.420 nan 0.000 0.229 342 P C -0.678 176.630 177.300 0.013 0.000 1.150 342 P CA 1.360 64.481 63.100 0.036 0.000 0.765 342 P CB -0.155 31.566 31.700 0.036 0.000 0.783 343 D N -3.360 117.031 120.400 -0.015 0.000 2.582 343 D HA 0.086 4.714 4.640 -0.020 0.000 0.246 343 D C -0.390 175.844 176.300 -0.110 0.000 1.334 343 D CA -0.277 53.668 54.000 -0.091 0.000 0.805 343 D CB -0.366 40.327 40.800 -0.178 0.000 1.087 343 D HN -0.191 nan 8.370 nan 0.000 0.499 344 T N 1.088 115.653 114.554 0.018 0.000 2.840 344 T HA 0.477 4.815 4.350 -0.020 0.000 0.287 344 T C -0.912 173.836 174.700 0.080 0.000 0.991 344 T CA -0.604 61.548 62.100 0.087 0.000 0.964 344 T CB 1.642 70.609 68.868 0.165 0.000 0.954 344 T HN 0.139 nan 8.240 nan 0.000 0.438 345 M N 4.632 124.283 119.600 0.084 0.000 2.253 345 M HA 0.650 5.119 4.480 -0.020 0.000 0.314 345 M C -1.770 174.601 176.300 0.118 0.000 1.019 345 M CA -1.144 54.219 55.300 0.105 0.000 0.932 345 M CB 1.328 33.989 32.600 0.102 0.000 1.606 345 M HN 0.516 nan 8.290 nan 0.000 0.430 346 L N 4.751 126.062 121.223 0.146 0.000 2.307 346 L HA 0.672 5.001 4.340 -0.020 0.000 0.282 346 L C -1.092 175.918 176.870 0.233 0.000 1.051 346 L CA 0.516 55.449 54.840 0.154 0.000 0.804 346 L CB 1.932 44.043 42.059 0.087 0.000 1.197 346 L HN 0.750 nan 8.230 nan 0.000 0.431 347 T N 4.997 119.671 114.554 0.201 0.000 2.841 347 T HA 0.647 4.986 4.350 -0.020 0.000 0.285 347 T C -0.875 173.909 174.700 0.140 0.000 0.991 347 T CA -0.446 61.776 62.100 0.203 0.000 0.966 347 T CB 1.421 70.431 68.868 0.236 0.000 0.962 347 T HN 0.591 nan 8.240 nan 0.000 0.438 348 V N 0.324 120.277 119.914 0.065 0.000 2.769 348 V HA 1.097 5.206 4.120 -0.020 0.000 0.312 348 V C -0.077 175.792 176.094 -0.376 0.000 1.061 348 V CA -0.740 61.479 62.300 -0.134 0.000 0.931 348 V CB 1.652 33.456 31.823 -0.031 0.000 1.010 348 V HN 1.102 nan 8.190 nan 0.000 0.433 349 G N 1.362 109.654 108.800 -0.848 0.000 2.732 349 G HA2 0.903 4.852 3.960 -0.020 0.000 0.296 349 G HA3 0.903 4.852 3.960 -0.020 0.000 0.296 349 G C -1.145 173.315 174.900 -0.732 0.000 1.448 349 G CA -0.197 44.308 45.100 -0.991 0.000 0.911 349 G HN 1.658 nan 8.290 nan 0.000 0.528 350 A N 1.002 123.734 122.820 -0.148 0.000 2.475 350 A HA 0.922 5.230 4.320 -0.020 0.000 0.301 350 A C -1.140 176.677 177.584 0.389 0.000 1.059 350 A CA -0.449 51.669 52.037 0.135 0.000 0.710 350 A CB 2.166 21.209 19.000 0.071 0.000 1.288 350 A HN 1.196 nan 8.150 nan 0.000 0.408 351 D N -1.002 119.644 120.400 0.411 0.000 2.570 351 D HA 0.635 5.263 4.640 -0.020 0.000 0.244 351 D C -1.177 175.351 176.300 0.380 0.000 1.178 351 D CA -0.470 53.779 54.000 0.415 0.000 0.881 351 D CB 1.211 42.194 40.800 0.306 0.000 1.453 351 D HN 0.652 nan 8.370 nan 0.000 0.447 352 Y N -0.275 120.154 120.300 0.214 0.000 2.436 352 Y HA 0.426 4.963 4.550 -0.023 0.000 0.327 352 Y C -2.014 173.996 175.900 0.184 0.000 1.138 352 Y CA -0.475 57.755 58.100 0.217 0.000 1.042 352 Y CB 1.852 40.479 38.460 0.278 0.000 1.302 352 Y HN 0.649 nan 8.280 nan 0.000 0.439 353 Q N 4.907 124.454 119.800 -0.421 0.000 2.271 353 Q HA 0.351 4.680 4.340 -0.020 0.000 0.268 353 Q C -2.326 173.443 176.000 -0.384 0.000 1.021 353 Q CA -0.756 54.887 55.803 -0.267 0.000 0.802 353 Q CB 1.822 30.513 28.738 -0.078 0.000 1.282 353 Q HN 0.729 nan 8.270 nan 0.000 0.431 354 D N 2.460 122.724 120.400 -0.227 0.000 2.278 354 D HA 0.364 4.992 4.640 -0.020 0.000 0.245 354 D C -1.214 175.109 176.300 0.038 0.000 1.052 354 D CA -0.275 53.692 54.000 -0.056 0.000 0.834 354 D CB 1.105 41.938 40.800 0.056 0.000 1.194 354 D HN 0.489 nan 8.370 nan 0.000 0.481 355 N N 3.096 121.827 118.700 0.053 0.000 2.443 355 N HA 0.227 4.955 4.740 -0.020 0.000 0.269 355 N C -1.453 174.105 175.510 0.081 0.000 0.985 355 N CA -0.524 52.553 53.050 0.045 0.000 0.921 355 N CB 1.828 40.313 38.487 -0.004 0.000 1.195 355 N HN 0.368 nan 8.380 nan 0.000 0.492 356 D N 2.715 123.160 120.400 0.076 0.000 2.378 356 D HA 0.305 4.933 4.640 -0.020 0.000 0.265 356 D C -2.579 173.741 176.300 0.033 0.000 1.229 356 D CA -1.552 52.503 54.000 0.091 0.000 0.914 356 D CB 1.721 42.584 40.800 0.105 0.000 1.140 356 D HN 0.223 nan 8.370 nan 0.000 0.516 357 P HA 0.540 nan 4.420 nan 0.000 0.284 357 P C -0.892 176.368 177.300 -0.067 0.000 1.287 357 P CA -0.795 62.246 63.100 -0.098 0.000 0.824 357 P CB 1.628 33.333 31.700 0.008 0.000 1.180 358 K N -1.099 119.175 120.400 -0.211 0.000 2.501 358 K HA 0.561 4.869 4.320 -0.020 0.000 0.252 358 K C 0.182 176.733 176.600 -0.081 0.000 0.934 358 K CA -0.035 56.210 56.287 -0.070 0.000 0.797 358 K CB 1.106 33.561 32.500 -0.075 0.000 1.270 358 K HN 0.757 nan 8.250 nan 0.000 0.431 359 G N 1.113 109.957 108.800 0.072 0.000 2.132 359 G HA2 -0.242 3.706 3.960 -0.020 0.000 0.228 359 G HA3 -0.242 3.706 3.960 -0.020 0.000 0.228 359 G C -0.098 174.972 174.900 0.283 0.000 1.000 359 G CA 0.241 45.435 45.100 0.156 0.000 0.693 359 G HN 0.464 nan 8.290 nan 0.000 0.515 360 S N -0.045 115.833 115.700 0.298 0.000 2.568 360 S HA 0.526 4.984 4.470 -0.020 0.000 0.282 360 S C 1.069 175.823 174.600 0.257 0.000 1.338 360 S CA 0.433 58.840 58.200 0.345 0.000 1.045 360 S CB 1.339 64.757 63.200 0.363 0.000 0.873 360 S HN 1.295 nan 8.310 nan 0.000 0.516 361 G N -0.001 108.950 108.800 0.252 0.000 2.521 361 G HA2 0.471 4.419 3.960 -0.020 0.000 0.323 361 G HA3 0.471 4.419 3.960 -0.020 0.000 0.323 361 G C -0.206 174.912 174.900 0.364 0.000 1.211 361 G CA -0.799 44.467 45.100 0.276 0.000 0.979 361 G HN 0.881 nan 8.290 nan 0.000 0.490 362 W N 0.105 121.487 121.300 0.135 0.000 2.678 362 W HA 0.260 4.906 4.660 -0.023 0.000 0.282 362 W C 1.157 177.774 176.519 0.162 0.000 1.137 362 W CA 0.774 58.173 57.345 0.090 0.000 1.515 362 W CB 0.632 30.098 29.460 0.010 0.000 1.101 362 W HN 0.601 nan 8.180 nan 0.000 0.564 363 S N 0.878 116.931 115.700 0.589 0.000 2.620 363 S HA 0.623 5.081 4.470 -0.020 0.000 0.244 363 S C -0.216 174.589 174.600 0.341 0.000 1.192 363 S CA -0.091 58.433 58.200 0.540 0.000 1.148 363 S CB 0.597 63.918 63.200 0.202 0.000 1.106 363 S HN 0.868 nan 8.310 nan 0.000 0.474 364 G N 2.687 111.695 108.800 0.345 0.000 2.855 364 G HA2 -0.174 3.774 3.960 -0.020 0.000 0.352 364 G HA3 -0.174 3.774 3.960 -0.020 0.000 0.352 364 G C 0.464 175.442 174.900 0.131 0.000 1.415 364 G CA -0.224 44.969 45.100 0.156 0.000 0.871 364 G HN 1.236 nan 8.290 nan 0.000 0.543 365 S N -0.554 115.201 115.700 0.091 0.000 2.492 365 S HA 0.501 4.959 4.470 -0.020 0.000 0.218 365 S C 0.262 175.188 174.600 0.543 0.000 1.016 365 S CA 1.577 59.954 58.200 0.295 0.000 0.916 365 S CB -0.092 63.350 63.200 0.403 0.000 0.791 365 S HN 1.491 nan 8.310 nan 0.000 0.513 366 F N -0.782 119.296 119.950 0.213 0.000 2.719 366 F HA 0.647 5.162 4.527 -0.021 0.000 0.309 366 F C -3.587 172.251 175.800 0.064 0.000 1.138 366 F CA -2.581 55.540 58.000 0.202 0.000 0.943 366 F CB 0.564 39.615 39.000 0.084 0.000 1.304 366 F HN -0.309 nan 8.300 nan 0.000 0.445 367 P HA 0.338 nan 4.420 nan 0.000 0.284 367 P C 0.509 177.758 177.300 -0.086 0.000 1.253 367 P CA -0.420 62.667 63.100 -0.023 0.000 0.800 367 P CB 1.869 33.599 31.700 0.050 0.000 0.961 368 L N 1.360 122.368 121.223 -0.359 0.000 1.976 368 L HA -0.095 4.233 4.340 -0.020 0.000 0.209 368 L C 0.883 177.446 176.870 -0.511 0.000 1.071 368 L CA 1.712 56.202 54.840 -0.584 0.000 0.746 368 L CB -0.518 40.864 42.059 -1.129 0.000 0.890 368 L HN 0.285 nan 8.230 nan 0.000 0.432 369 F N -0.167 119.727 119.950 -0.093 0.000 2.432 369 F HA 0.228 4.743 4.527 -0.020 0.000 0.329 369 F C 0.570 176.274 175.800 -0.159 0.000 1.076 369 F CA -1.668 56.275 58.000 -0.095 0.000 1.018 369 F CB 0.536 39.459 39.000 -0.129 0.000 1.201 369 F HN 0.028 nan 8.300 nan 0.000 0.489 370 D N -0.628 119.782 120.400 0.016 0.000 2.469 370 D HA 0.099 4.727 4.640 -0.020 0.000 0.278 370 D C 1.242 177.441 176.300 -0.168 0.000 1.231 370 D CA -0.013 53.909 54.000 -0.130 0.000 1.075 370 D CB -0.272 40.445 40.800 -0.138 0.000 1.121 370 D HN 0.418 nan 8.370 nan 0.000 0.571 371 S N -1.606 113.971 115.700 -0.206 0.000 2.453 371 S HA -0.176 4.283 4.470 -0.020 0.000 0.231 371 S C 1.312 175.796 174.600 -0.193 0.000 1.005 371 S CA 0.799 58.837 58.200 -0.270 0.000 0.949 371 S CB -0.681 62.382 63.200 -0.229 0.000 0.774 371 S HN 0.621 nan 8.310 nan 0.000 0.510 372 Q N 0.086 119.809 119.800 -0.129 0.000 2.282 372 Q HA 0.483 4.811 4.340 -0.020 0.000 0.206 372 Q C 1.368 177.297 176.000 -0.118 0.000 0.878 372 Q CA 0.300 56.035 55.803 -0.113 0.000 0.944 372 Q CB 0.267 28.959 28.738 -0.077 0.000 1.100 372 Q HN 0.656 nan 8.270 nan 0.000 0.509 373 G N 1.312 110.048 108.800 -0.107 0.000 2.213 373 G HA2 -0.215 3.733 3.960 -0.020 0.000 0.226 373 G HA3 -0.215 3.733 3.960 -0.020 0.000 0.226 373 G C -0.073 174.869 174.900 0.069 0.000 0.992 373 G CA -0.245 44.778 45.100 -0.129 0.000 0.632 373 G HN 0.303 nan 8.290 nan 0.000 0.511 374 N N 0.980 119.721 118.700 0.068 0.000 2.395 374 N HA 0.307 5.036 4.740 -0.020 0.000 0.246 374 N C 0.652 176.275 175.510 0.188 0.000 1.246 374 N CA 0.214 53.327 53.050 0.104 0.000 0.879 374 N CB 0.289 38.798 38.487 0.038 0.000 1.098 374 N HN 0.420 nan 8.380 nan 0.000 0.444 375 R N 1.413 122.009 120.500 0.161 0.000 2.442 375 R HA 0.106 4.434 4.340 -0.020 0.000 0.291 375 R C 0.123 176.453 176.300 0.049 0.000 1.069 375 R CA -0.175 55.976 56.100 0.086 0.000 1.022 375 R CB 0.134 30.477 30.300 0.071 0.000 0.976 375 R HN 0.423 nan 8.270 nan 0.000 0.443 376 N N 1.695 120.411 118.700 0.027 0.000 2.492 376 N HA -0.020 4.708 4.740 -0.020 0.000 0.262 376 N C -0.843 174.699 175.510 0.052 0.000 1.202 376 N CA 0.351 53.420 53.050 0.032 0.000 0.926 376 N CB 0.815 39.337 38.487 0.058 0.000 1.078 376 N HN 0.447 nan 8.380 nan 0.000 0.454 377 D N 1.279 121.684 120.400 0.008 0.000 2.408 377 D HA 0.454 5.082 4.640 -0.020 0.000 0.243 377 D C -1.051 175.201 176.300 -0.079 0.000 1.075 377 D CA -0.561 53.442 54.000 0.004 0.000 0.832 377 D CB 0.929 41.758 40.800 0.049 0.000 1.162 377 D HN 0.222 nan 8.370 nan 0.000 0.515 378 V N 0.584 120.389 119.914 -0.182 0.000 3.049 378 V HA 0.667 4.775 4.120 -0.020 0.000 0.309 378 V C 0.153 176.207 176.094 -0.067 0.000 1.148 378 V CA -0.917 61.244 62.300 -0.231 0.000 0.990 378 V CB 1.543 32.965 31.823 -0.668 0.000 1.039 378 V HN 0.437 nan 8.190 nan 0.000 0.430 379 S N 1.708 117.411 115.700 0.006 0.000 2.566 379 S HA 0.186 4.644 4.470 -0.020 0.000 0.280 379 S C 1.265 175.859 174.600 -0.009 0.000 1.343 379 S CA -0.094 58.109 58.200 0.004 0.000 1.036 379 S CB 0.330 63.561 63.200 0.052 0.000 0.866 379 S HN 0.836 nan 8.310 nan 0.000 0.526 380 R N 1.068 121.420 120.500 -0.247 0.000 2.293 380 R HA -0.084 4.244 4.340 -0.020 0.000 0.219 380 R C 2.048 178.460 176.300 0.188 0.000 1.091 380 R CA 1.216 57.123 56.100 -0.322 0.000 1.004 380 R CB -0.352 29.579 30.300 -0.615 0.000 0.865 380 R HN 0.724 nan 8.270 nan 0.000 0.469 381 S N -0.400 115.379 115.700 0.131 0.000 2.528 381 S HA -0.001 4.457 4.470 -0.020 0.000 0.219 381 S C 0.503 175.140 174.600 0.061 0.000 0.985 381 S CA -0.473 57.772 58.200 0.076 0.000 0.914 381 S CB -0.148 63.072 63.200 0.034 0.000 0.776 381 S HN 0.166 nan 8.310 nan 0.000 0.526 382 F N 3.739 123.712 119.950 0.038 0.000 2.608 382 F HA 0.377 4.893 4.527 -0.018 0.000 0.380 382 F C 0.315 176.173 175.800 0.098 0.000 1.083 382 F CA 0.181 58.217 58.000 0.059 0.000 1.266 382 F CB 0.346 39.356 39.000 0.016 0.000 1.076 382 F HN 0.200 nan 8.300 nan 0.000 0.574 383 N N 4.371 122.831 118.700 -0.399 0.000 2.533 383 N HA 0.129 4.857 4.740 -0.020 0.000 0.289 383 N C 0.036 175.544 175.510 -0.002 0.000 1.103 383 N CA -0.744 52.212 53.050 -0.157 0.000 0.877 383 N CB 0.522 38.745 38.487 -0.439 0.000 1.419 383 N HN 0.556 nan 8.380 nan 0.000 0.517 384 N N 1.998 120.842 118.700 0.240 0.000 2.396 384 N HA 0.003 4.732 4.740 -0.020 0.000 0.180 384 N C 0.833 176.572 175.510 0.382 0.000 1.028 384 N CA 0.523 53.742 53.050 0.282 0.000 0.893 384 N CB -0.646 38.024 38.487 0.305 0.000 0.967 384 N HN 0.478 nan 8.380 nan 0.000 0.440 385 G N -0.129 108.868 108.800 0.329 0.000 2.484 385 G HA2 0.399 4.347 3.960 -0.020 0.000 0.235 385 G HA3 0.399 4.347 3.960 -0.020 0.000 0.235 385 G C -0.021 175.102 174.900 0.372 0.000 1.282 385 G CA 0.160 45.429 45.100 0.282 0.000 0.857 385 G HN 0.559 nan 8.290 nan 0.000 0.571 386 A N 1.580 124.425 122.820 0.042 0.000 2.366 386 A HA 0.368 4.676 4.320 -0.020 0.000 0.249 386 A C 1.589 178.935 177.584 -0.397 0.000 1.084 386 A CA -0.081 51.773 52.037 -0.305 0.000 0.794 386 A CB 0.485 18.923 19.000 -0.937 0.000 1.034 386 A HN 0.789 nan 8.150 nan 0.000 0.491 387 K N 0.673 120.802 120.400 -0.451 0.000 2.074 387 K HA -0.160 4.148 4.320 -0.020 0.000 0.209 387 K C 1.438 178.002 176.600 -0.061 0.000 1.048 387 K CA 2.322 58.482 56.287 -0.211 0.000 0.926 387 K CB -0.182 32.202 32.500 -0.194 0.000 0.713 387 K HN 0.974 nan 8.250 nan 0.000 0.444 388 W N 0.466 121.816 121.300 0.083 0.000 3.256 388 W HA 0.211 4.882 4.660 0.019 0.000 0.269 388 W C 0.291 176.904 176.519 0.156 0.000 1.310 388 W CA -0.439 56.969 57.345 0.106 0.000 1.673 388 W CB -0.592 28.926 29.460 0.097 0.000 1.115 388 W HN -0.138 nan 8.180 nan 0.000 0.686 389 S N 2.029 117.689 115.700 -0.066 0.000 2.549 389 S HA 0.292 4.750 4.470 -0.020 0.000 0.279 389 S C -0.242 174.497 174.600 0.231 0.000 1.321 389 S CA 0.062 58.311 58.200 0.082 0.000 1.054 389 S CB 1.077 64.178 63.200 -0.165 0.000 0.899 389 S HN 0.177 nan 8.310 nan 0.000 0.497 390 S N 5.229 121.113 115.700 0.307 0.000 2.689 390 S HA 0.337 4.795 4.470 -0.020 0.000 0.274 390 S C -1.506 173.301 174.600 0.345 0.000 1.176 390 S CA -0.590 57.787 58.200 0.296 0.000 1.014 390 S CB 0.512 63.880 63.200 0.280 0.000 1.071 390 S HN 0.838 nan 8.310 nan 0.000 0.478 391 W N 6.663 128.050 121.300 0.144 0.000 1.738 391 W HA 0.354 5.001 4.660 -0.022 0.000 0.399 391 W C 0.161 176.762 176.519 0.137 0.000 0.744 391 W CA -1.263 56.152 57.345 0.116 0.000 1.695 391 W CB -0.465 29.034 29.460 0.066 0.000 1.820 391 W HN 0.813 nan 8.180 nan 0.000 0.262 392 E N 1.834 122.325 120.200 0.485 0.000 2.373 392 E HA 0.203 4.541 4.350 -0.020 0.000 0.267 392 E C -0.961 175.874 176.600 0.393 0.000 1.032 392 E CA 0.250 56.866 56.400 0.359 0.000 0.889 392 E CB 0.964 30.846 29.700 0.303 0.000 0.984 392 E HN 0.412 nan 8.360 nan 0.000 0.425 393 Q N 2.458 122.392 119.800 0.223 0.000 2.285 393 Q HA 0.367 4.695 4.340 -0.020 0.000 0.269 393 Q C -1.514 174.564 176.000 0.131 0.000 1.030 393 Q CA -1.019 54.868 55.803 0.139 0.000 0.788 393 Q CB 1.729 30.408 28.738 -0.097 0.000 1.266 393 Q HN 0.751 nan 8.270 nan 0.000 0.438 394 Y N -1.248 119.059 120.300 0.011 0.000 2.536 394 Y HA 0.858 5.396 4.550 -0.019 0.000 0.347 394 Y C -0.801 175.039 175.900 -0.101 0.000 1.000 394 Y CA -1.007 57.041 58.100 -0.087 0.000 1.051 394 Y CB 1.737 40.140 38.460 -0.096 0.000 1.259 394 Y HN 0.472 nan 8.280 nan 0.000 0.468 395 T N 1.122 115.612 114.554 -0.108 0.000 2.893 395 T HA 0.845 5.184 4.350 -0.020 0.000 0.293 395 T C -1.046 173.640 174.700 -0.024 0.000 1.027 395 T CA -1.107 60.916 62.100 -0.129 0.000 0.988 395 T CB 1.932 70.704 68.868 -0.159 0.000 1.043 395 T HN 1.093 nan 8.240 nan 0.000 0.461 396 R N 0.166 120.696 120.500 0.050 0.000 2.626 396 R HA 0.740 5.068 4.340 -0.020 0.000 0.274 396 R C -1.455 174.924 176.300 0.132 0.000 1.031 396 R CA -0.901 55.291 56.100 0.154 0.000 0.898 396 R CB 1.514 32.005 30.300 0.319 0.000 1.222 396 R HN 0.610 nan 8.270 nan 0.000 0.455 397 T N 1.181 115.846 114.554 0.186 0.000 2.863 397 T HA 0.537 4.875 4.350 -0.020 0.000 0.285 397 T C -0.446 174.439 174.700 0.307 0.000 1.009 397 T CA -0.803 61.434 62.100 0.228 0.000 0.989 397 T CB 2.017 71.036 68.868 0.251 0.000 1.004 397 T HN 0.347 nan 8.240 nan 0.000 0.455 398 V N 3.412 123.515 119.914 0.314 0.000 2.628 398 V HA 0.842 4.950 4.120 -0.020 0.000 0.306 398 V C -0.855 175.431 176.094 0.319 0.000 1.045 398 V CA -0.998 61.441 62.300 0.232 0.000 0.905 398 V CB 1.106 33.026 31.823 0.162 0.000 0.997 398 V HN 0.946 nan 8.190 nan 0.000 0.436 399 F N 1.625 121.664 119.950 0.148 0.000 2.641 399 F HA 0.968 5.483 4.527 -0.020 0.000 0.308 399 F C -0.508 175.369 175.800 0.127 0.000 1.105 399 F CA -1.117 56.969 58.000 0.143 0.000 0.964 399 F CB 1.540 40.632 39.000 0.155 0.000 1.294 399 F HN 0.656 nan 8.300 nan 0.000 0.442 400 A N 2.757 125.750 122.820 0.288 0.000 2.393 400 A HA 0.804 5.112 4.320 -0.020 0.000 0.306 400 A C -1.624 176.116 177.584 0.260 0.000 1.050 400 A CA -0.920 51.231 52.037 0.191 0.000 0.724 400 A CB 1.271 20.326 19.000 0.092 0.000 1.248 400 A HN 0.949 nan 8.150 nan 0.000 0.424 401 N N 0.044 118.890 118.700 0.244 0.000 2.312 401 N HA 0.702 5.431 4.740 -0.020 0.000 0.296 401 N C -1.620 173.975 175.510 0.141 0.000 1.193 401 N CA -0.676 52.495 53.050 0.201 0.000 0.773 401 N CB 2.330 40.953 38.487 0.226 0.000 1.435 401 N HN 0.462 nan 8.380 nan 0.000 0.484 402 L N 0.791 122.079 121.223 0.109 0.000 2.438 402 L HA 0.434 4.762 4.340 -0.020 0.000 0.270 402 L C -1.221 175.693 176.870 0.072 0.000 0.972 402 L CA -0.299 54.592 54.840 0.084 0.000 0.831 402 L CB 1.738 43.832 42.059 0.060 0.000 1.273 402 L HN 0.629 nan 8.230 nan 0.000 0.405 403 E N 2.711 122.958 120.200 0.078 0.000 2.210 403 E HA 0.405 4.743 4.350 -0.020 0.000 0.266 403 E C -1.737 174.906 176.600 0.072 0.000 0.883 403 E CA -0.709 55.729 56.400 0.064 0.000 0.761 403 E CB 1.271 31.012 29.700 0.068 0.000 1.156 403 E HN 0.745 nan 8.360 nan 0.000 0.412 404 H N 2.773 121.790 119.070 -0.087 0.000 2.600 404 H HA 0.419 4.963 4.556 -0.020 0.000 0.357 404 H C -1.187 173.989 175.328 -0.253 0.000 1.106 404 H CA -0.802 55.114 56.048 -0.220 0.000 1.193 404 H CB 0.995 30.526 29.762 -0.384 0.000 1.594 404 H HN 0.327 nan 8.280 nan 0.000 0.526 405 N N 4.515 122.759 118.700 -0.760 0.000 2.426 405 N HA 0.141 4.869 4.740 -0.020 0.000 0.257 405 N C -1.165 173.979 175.510 -0.610 0.000 1.002 405 N CA -0.207 52.580 53.050 -0.438 0.000 0.942 405 N CB 0.303 38.660 38.487 -0.217 0.000 1.112 405 N HN 0.344 nan 8.380 nan 0.000 0.499 406 F N 0.833 120.791 119.950 0.013 0.000 2.427 406 F HA 0.251 4.766 4.527 -0.020 0.000 0.352 406 F C 1.727 177.602 175.800 0.124 0.000 1.100 406 F CA -0.723 57.360 58.000 0.138 0.000 1.191 406 F CB 0.826 39.972 39.000 0.242 0.000 1.128 406 F HN 0.539 nan 8.300 nan 0.000 0.533 407 A N 2.964 125.937 122.820 0.255 0.000 2.148 407 A HA -0.291 4.017 4.320 -0.020 0.000 0.222 407 A C 1.979 179.691 177.584 0.212 0.000 1.161 407 A CA 2.037 54.181 52.037 0.179 0.000 0.662 407 A CB -1.108 17.976 19.000 0.140 0.000 0.799 407 A HN 0.964 nan 8.150 nan 0.000 0.466 408 N N -1.160 117.715 118.700 0.292 0.000 2.247 408 N HA -0.088 4.640 4.740 -0.020 0.000 0.189 408 N C 1.311 177.055 175.510 0.390 0.000 1.009 408 N CA 0.955 54.216 53.050 0.351 0.000 0.872 408 N CB -0.168 38.592 38.487 0.454 0.000 0.980 408 N HN 0.726 nan 8.380 nan 0.000 0.436 409 G N -0.749 108.252 108.800 0.335 0.000 2.199 409 G HA2 -0.255 3.693 3.960 -0.020 0.000 0.254 409 G HA3 -0.255 3.693 3.960 -0.020 0.000 0.254 409 G C -0.302 174.742 174.900 0.240 0.000 0.982 409 G CA 0.001 45.264 45.100 0.273 0.000 0.632 409 G HN 0.250 nan 8.290 nan 0.000 0.529 410 W N -0.292 121.132 121.300 0.207 0.000 2.218 410 W HA 0.592 5.240 4.660 -0.020 0.000 0.326 410 W C 0.402 177.138 176.519 0.362 0.000 1.276 410 W CA 0.214 57.699 57.345 0.234 0.000 1.210 410 W CB 1.313 30.864 29.460 0.151 0.000 1.143 410 W HN 0.402 nan 8.180 nan 0.000 0.563 411 V N 3.884 124.070 119.914 0.454 0.000 2.588 411 V HA 0.898 5.007 4.120 -0.020 0.000 0.304 411 V C -0.214 176.117 176.094 0.395 0.000 1.042 411 V CA -0.672 61.856 62.300 0.379 0.000 0.877 411 V CB 1.367 33.292 31.823 0.170 0.000 0.996 411 V HN 0.587 nan 8.190 nan 0.000 0.425 412 G N 4.250 113.311 108.800 0.434 0.000 2.400 412 G HA2 0.679 4.627 3.960 -0.020 0.000 0.333 412 G HA3 0.679 4.627 3.960 -0.020 0.000 0.333 412 G C -1.267 173.625 174.900 -0.012 0.000 1.143 412 G CA -0.706 44.549 45.100 0.257 0.000 0.914 412 G HN 0.861 nan 8.290 nan 0.000 0.480 413 K N 0.684 120.929 120.400 -0.259 0.000 2.501 413 K HA 0.565 4.873 4.320 -0.020 0.000 0.252 413 K C -1.541 174.966 176.600 -0.155 0.000 0.934 413 K CA -0.586 55.549 56.287 -0.253 0.000 0.797 413 K CB 2.767 35.000 32.500 -0.446 0.000 1.270 413 K HN 0.309 nan 8.250 nan 0.000 0.431 414 V N 3.948 123.859 119.914 -0.005 0.000 2.487 414 V HA 0.371 4.479 4.120 -0.020 0.000 0.298 414 V C -0.976 175.184 176.094 0.111 0.000 1.028 414 V CA -0.721 61.616 62.300 0.061 0.000 0.860 414 V CB 1.718 33.580 31.823 0.064 0.000 0.991 414 V HN 0.752 nan 8.190 nan 0.000 0.427 415 Q N 4.698 124.587 119.800 0.148 0.000 2.325 415 Q HA 0.646 4.974 4.340 -0.020 0.000 0.270 415 Q C -1.356 174.754 176.000 0.184 0.000 1.020 415 Q CA -0.454 55.458 55.803 0.182 0.000 0.785 415 Q CB 2.897 31.753 28.738 0.196 0.000 1.259 415 Q HN 0.606 nan 8.270 nan 0.000 0.452 416 L N 2.713 124.057 121.223 0.201 0.000 2.305 416 L HA 0.477 4.805 4.340 -0.020 0.000 0.284 416 L C -1.126 175.893 176.870 0.249 0.000 1.013 416 L CA -0.469 54.490 54.840 0.198 0.000 0.819 416 L CB 1.559 43.716 42.059 0.163 0.000 1.227 416 L HN 0.571 nan 8.230 nan 0.000 0.417 417 D N 0.403 120.946 120.400 0.238 0.000 2.505 417 D HA 0.313 4.941 4.640 -0.020 0.000 0.249 417 D C -1.154 175.308 176.300 0.270 0.000 1.082 417 D CA -0.337 53.821 54.000 0.263 0.000 0.839 417 D CB 1.500 42.423 40.800 0.205 0.000 1.317 417 D HN 0.341 nan 8.370 nan 0.000 0.497 418 H N 1.496 120.671 119.070 0.175 0.000 2.595 418 H HA 0.443 4.987 4.556 -0.020 0.000 0.313 418 H C -1.016 174.397 175.328 0.141 0.000 1.023 418 H CA -0.645 55.490 56.048 0.144 0.000 1.218 418 H CB 0.684 30.519 29.762 0.122 0.000 1.403 418 H HN 0.143 nan 8.280 nan 0.000 0.477 419 K N 5.152 125.456 120.400 -0.160 0.000 2.259 419 K HA 0.553 4.861 4.320 -0.020 0.000 0.249 419 K C -1.378 175.110 176.600 -0.186 0.000 0.942 419 K CA -0.751 55.469 56.287 -0.111 0.000 0.816 419 K CB 1.250 33.718 32.500 -0.052 0.000 1.155 419 K HN 0.607 nan 8.250 nan 0.000 0.428 420 I N 2.882 123.392 120.570 -0.100 0.000 2.533 420 I HA 0.264 4.423 4.170 -0.020 0.000 0.290 420 I C -1.279 174.753 176.117 -0.142 0.000 1.056 420 I CA -0.956 60.297 61.300 -0.079 0.000 1.057 420 I CB 2.197 40.219 38.000 0.035 0.000 1.240 420 I HN 0.641 nan 8.210 nan 0.000 0.423 421 N N 3.960 122.540 118.700 -0.199 0.000 2.617 421 N HA 0.524 5.253 4.740 -0.020 0.000 0.263 421 N C -0.439 174.833 175.510 -0.396 0.000 1.074 421 N CA -0.309 52.568 53.050 -0.287 0.000 0.841 421 N CB 1.942 40.330 38.487 -0.165 0.000 1.221 421 N HN 0.722 nan 8.380 nan 0.000 0.529 422 G N 0.711 108.942 108.800 -0.949 0.000 2.489 422 G HA2 0.662 4.610 3.960 -0.020 0.000 0.327 422 G HA3 0.662 4.610 3.960 -0.020 0.000 0.327 422 G C -1.458 173.237 174.900 -0.343 0.000 1.189 422 G CA -0.510 44.063 45.100 -0.879 0.000 0.962 422 G HN 0.415 nan 8.290 nan 0.000 0.486 423 Y N -1.641 118.684 120.300 0.042 0.000 2.544 423 Y HA 0.730 5.268 4.550 -0.020 0.000 0.342 423 Y C -1.201 174.900 175.900 0.335 0.000 1.062 423 Y CA -1.558 56.688 58.100 0.244 0.000 1.023 423 Y CB 1.736 40.357 38.460 0.268 0.000 1.308 423 Y HN 0.734 nan 8.280 nan 0.000 0.457 424 H N 2.136 121.435 119.070 0.382 0.000 3.078 424 H HA 0.797 5.331 4.556 -0.037 0.000 0.319 424 H C -1.677 173.799 175.328 0.247 0.000 0.995 424 H CA -0.429 55.754 56.048 0.225 0.000 1.417 424 H CB 1.260 31.118 29.762 0.160 0.000 1.598 424 H HN 1.066 nan 8.280 nan 0.000 0.515 425 A N 6.540 129.317 122.820 -0.071 0.000 3.030 425 A HA 0.342 4.650 4.320 -0.020 0.000 0.335 425 A C -2.974 174.486 177.584 -0.206 0.000 1.089 425 A CA -1.456 50.553 52.037 -0.046 0.000 0.807 425 A CB 0.387 19.306 19.000 -0.134 0.000 1.099 425 A HN 0.480 nan 8.150 nan 0.000 0.474 426 P HA 0.377 nan 4.420 nan 0.000 0.280 426 P C -0.660 176.849 177.300 0.349 0.000 1.386 426 P CA 0.204 63.211 63.100 -0.156 0.000 0.899 426 P CB 0.815 32.496 31.700 -0.031 0.000 1.098 427 L N 3.123 124.554 121.223 0.346 0.000 2.334 427 L HA 0.849 5.177 4.340 -0.020 0.000 0.273 427 L C 0.667 177.874 176.870 0.563 0.000 1.013 427 L CA -0.542 54.534 54.840 0.394 0.000 0.816 427 L CB 2.341 44.549 42.059 0.248 0.000 1.278 427 L HN 0.424 nan 8.230 nan 0.000 0.431 428 G N 1.710 110.670 108.800 0.267 0.000 2.608 428 G HA2 0.690 4.638 3.960 -0.020 0.000 0.285 428 G HA3 0.690 4.638 3.960 -0.020 0.000 0.285 428 G C -1.704 173.223 174.900 0.046 0.000 1.407 428 G CA -0.087 45.099 45.100 0.142 0.000 1.276 428 G HN 0.792 nan 8.290 nan 0.000 0.587 429 A N 2.337 125.234 122.820 0.129 0.000 2.594 429 A HA 0.800 5.108 4.320 -0.020 0.000 0.295 429 A C -0.375 177.205 177.584 -0.006 0.000 1.071 429 A CA -0.765 51.332 52.037 0.099 0.000 0.685 429 A CB 1.023 20.119 19.000 0.158 0.000 1.285 429 A HN 0.809 nan 8.150 nan 0.000 0.405 430 I N 1.307 121.795 120.570 -0.136 0.000 2.710 430 I HA 0.298 4.457 4.170 -0.020 0.000 0.286 430 I C 0.257 176.395 176.117 0.034 0.000 1.181 430 I CA 0.929 62.127 61.300 -0.170 0.000 1.430 430 I CB 0.567 38.383 38.000 -0.308 0.000 1.367 430 I HN 0.791 nan 8.210 nan 0.000 0.577 431 M N 5.692 125.364 119.600 0.120 0.000 2.373 431 M HA 0.604 5.072 4.480 -0.020 0.000 0.290 431 M C -0.555 175.917 176.300 0.286 0.000 1.143 431 M CA 0.066 55.430 55.300 0.107 0.000 0.949 431 M CB 1.940 34.487 32.600 -0.088 0.000 1.756 431 M HN 0.792 nan 8.290 nan 0.000 0.494 432 G N 2.246 111.105 108.800 0.098 0.000 2.549 432 G HA2 -0.069 3.880 3.960 -0.020 0.000 0.404 432 G HA3 -0.069 3.880 3.960 -0.020 0.000 0.404 432 G C -1.749 172.909 174.900 -0.403 0.000 1.292 432 G CA -0.436 44.603 45.100 -0.102 0.000 0.935 432 G HN 0.781 nan 8.290 nan 0.000 0.512 433 D N 1.036 120.942 120.400 -0.823 0.000 2.483 433 D HA 0.446 5.075 4.640 -0.020 0.000 0.220 433 D C -0.468 175.214 176.300 -1.031 0.000 1.173 433 D CA 0.705 54.278 54.000 -0.711 0.000 0.964 433 D CB -0.191 40.292 40.800 -0.527 0.000 1.046 433 D HN 0.394 nan 8.370 nan 0.000 0.517 434 W N 2.062 123.266 121.300 -0.160 0.000 3.033 434 W HA 0.306 4.956 4.660 -0.017 0.000 0.336 434 W C -2.107 174.044 176.519 -0.613 0.000 1.173 434 W CA -1.987 55.193 57.345 -0.274 0.000 1.185 434 W CB 1.261 30.615 29.460 -0.176 0.000 1.425 434 W HN 0.003 nan 8.180 nan 0.000 0.536 435 P HA 0.314 nan 4.420 nan 0.000 0.275 435 P C -0.590 176.758 177.300 0.081 0.000 1.266 435 P CA -0.042 62.967 63.100 -0.152 0.000 0.793 435 P CB 0.797 32.312 31.700 -0.308 0.000 1.074 436 A N 0.506 123.455 122.820 0.213 0.000 2.261 436 A HA 0.542 4.851 4.320 -0.020 0.000 0.323 436 A C -1.661 175.963 177.584 0.067 0.000 1.107 436 A CA -1.621 50.505 52.037 0.150 0.000 0.883 436 A CB -0.600 18.557 19.000 0.260 0.000 1.251 436 A HN 0.279 nan 8.150 nan 0.000 0.502 437 P HA -0.138 nan 4.420 nan 0.000 0.219 437 P C 0.303 177.628 177.300 0.042 0.000 1.146 437 P CA 1.692 64.809 63.100 0.028 0.000 0.808 437 P CB -0.019 31.692 31.700 0.019 0.000 0.779 438 D N -2.318 118.115 120.400 0.054 0.000 2.328 438 D HA -0.056 4.572 4.640 -0.020 0.000 0.226 438 D C 0.601 176.944 176.300 0.071 0.000 1.066 438 D CA -0.273 53.761 54.000 0.055 0.000 0.861 438 D CB -1.303 39.525 40.800 0.048 0.000 0.912 438 D HN 0.108 nan 8.370 nan 0.000 0.521 439 N N -0.439 118.312 118.700 0.086 0.000 2.901 439 N HA -0.202 4.526 4.740 -0.020 0.000 0.248 439 N C -0.776 174.817 175.510 0.139 0.000 1.044 439 N CA 0.738 53.864 53.050 0.126 0.000 0.847 439 N CB -1.260 37.309 38.487 0.138 0.000 1.127 439 N HN 0.455 nan 8.380 nan 0.000 0.562 440 S N -0.279 115.474 115.700 0.088 0.000 2.646 440 S HA 0.886 5.344 4.470 -0.020 0.000 0.276 440 S C 0.061 174.618 174.600 -0.072 0.000 1.222 440 S CA 0.171 58.380 58.200 0.015 0.000 1.014 440 S CB 2.670 65.853 63.200 -0.029 0.000 0.991 440 S HN 0.574 nan 8.310 nan 0.000 0.533 441 A N 1.340 123.976 122.820 -0.307 0.000 2.593 441 A HA 0.810 5.118 4.320 -0.020 0.000 0.290 441 A C -1.261 175.659 177.584 -1.107 0.000 1.126 441 A CA -1.050 50.523 52.037 -0.773 0.000 0.695 441 A CB 1.345 20.193 19.000 -0.255 0.000 1.290 441 A HN 0.810 nan 8.150 nan 0.000 0.414 442 K N 0.669 120.041 120.400 -1.712 0.000 2.378 442 K HA 0.568 4.876 4.320 -0.020 0.000 0.252 442 K C -1.207 175.110 176.600 -0.471 0.000 0.931 442 K CA -0.777 54.964 56.287 -0.910 0.000 0.794 442 K CB 1.808 33.858 32.500 -0.750 0.000 1.181 442 K HN 0.478 nan 8.250 nan 0.000 0.425 443 I N 2.652 123.080 120.570 -0.238 0.000 2.440 443 I HA 0.229 4.387 4.170 -0.020 0.000 0.294 443 I C 0.202 176.354 176.117 0.058 0.000 0.995 443 I CA -0.862 60.406 61.300 -0.052 0.000 1.306 443 I CB 1.180 39.238 38.000 0.097 0.000 1.407 443 I HN 0.253 nan 8.210 nan 0.000 0.501 444 V N 4.883 124.837 119.914 0.067 0.000 2.472 444 V HA 0.800 4.908 4.120 -0.020 0.000 0.290 444 V C 0.184 176.417 176.094 0.232 0.000 1.037 444 V CA -0.639 61.721 62.300 0.100 0.000 0.908 444 V CB 1.565 33.350 31.823 -0.062 0.000 0.985 444 V HN 0.915 nan 8.190 nan 0.000 0.454 445 A N 4.747 127.764 122.820 0.328 0.000 2.375 445 A HA 0.834 5.142 4.320 -0.020 0.000 0.295 445 A C -0.842 177.063 177.584 0.535 0.000 1.066 445 A CA -0.557 51.776 52.037 0.494 0.000 0.722 445 A CB 1.468 20.748 19.000 0.467 0.000 1.206 445 A HN 0.780 nan 8.150 nan 0.000 0.435 446 Q N 0.606 120.717 119.800 0.519 0.000 2.416 446 Q HA 0.543 4.871 4.340 -0.020 0.000 0.281 446 Q C -1.101 174.754 176.000 -0.242 0.000 1.067 446 Q CA -0.726 55.217 55.803 0.233 0.000 0.809 446 Q CB 3.180 32.054 28.738 0.227 0.000 1.418 446 Q HN 0.676 nan 8.270 nan 0.000 0.411 447 K N 1.675 121.637 120.400 -0.730 0.000 2.376 447 K HA 0.500 4.809 4.320 -0.020 0.000 0.257 447 K C -1.844 174.292 176.600 -0.773 0.000 0.939 447 K CA -0.446 55.249 56.287 -0.986 0.000 0.809 447 K CB 0.990 32.459 32.500 -1.717 0.000 1.121 447 K HN 0.514 nan 8.250 nan 0.000 0.425 448 Y N 1.509 121.691 120.300 -0.198 0.000 2.338 448 Y HA 0.259 4.800 4.550 -0.014 0.000 0.333 448 Y C 0.109 176.065 175.900 0.093 0.000 0.968 448 Y CA -0.723 57.377 58.100 -0.001 0.000 1.123 448 Y CB 2.229 40.677 38.460 -0.021 0.000 1.165 448 Y HN 0.570 nan 8.280 nan 0.000 0.452 449 T N 0.033 114.702 114.554 0.192 0.000 2.863 449 T HA 0.971 5.309 4.350 -0.020 0.000 0.285 449 T C -0.086 174.459 174.700 -0.259 0.000 1.009 449 T CA -0.535 61.561 62.100 -0.006 0.000 0.989 449 T CB 1.933 70.810 68.868 0.015 0.000 1.004 449 T HN 0.986 nan 8.240 nan 0.000 0.455 450 G N 0.690 108.916 108.800 -0.957 0.000 2.495 450 G HA2 0.570 4.518 3.960 -0.020 0.000 0.294 450 G HA3 0.570 4.518 3.960 -0.020 0.000 0.294 450 G C -2.076 172.482 174.900 -0.571 0.000 1.397 450 G CA -0.830 43.863 45.100 -0.678 0.000 0.790 450 G HN 0.932 nan 8.290 nan 0.000 0.486 451 E N -1.042 119.076 120.200 -0.138 0.000 2.352 451 E HA 0.619 4.957 4.350 -0.020 0.000 0.280 451 E C -1.429 175.218 176.600 0.079 0.000 0.930 451 E CA -0.571 55.801 56.400 -0.047 0.000 0.765 451 E CB 2.233 31.945 29.700 0.021 0.000 1.219 451 E HN 0.409 nan 8.360 nan 0.000 0.434 452 T N 3.384 117.952 114.554 0.023 0.000 2.824 452 T HA 0.431 4.769 4.350 -0.020 0.000 0.282 452 T C -0.916 173.804 174.700 0.033 0.000 0.993 452 T CA -0.778 61.354 62.100 0.053 0.000 0.967 452 T CB 1.167 70.024 68.868 -0.019 0.000 0.960 452 T HN 0.253 nan 8.240 nan 0.000 0.441 453 K N 2.017 122.463 120.400 0.078 0.000 2.274 453 K HA 0.682 4.990 4.320 -0.020 0.000 0.262 453 K C -0.664 175.986 176.600 0.082 0.000 0.961 453 K CA -0.695 55.608 56.287 0.026 0.000 0.833 453 K CB 1.682 34.221 32.500 0.066 0.000 1.102 453 K HN 0.441 nan 8.250 nan 0.000 0.436 454 S N 1.836 117.534 115.700 -0.003 0.000 2.513 454 S HA 0.374 4.832 4.470 -0.020 0.000 0.299 454 S C -0.869 173.785 174.600 0.090 0.000 1.087 454 S CA -0.949 57.305 58.200 0.090 0.000 1.012 454 S CB 1.179 64.431 63.200 0.088 0.000 1.044 454 S HN 0.546 nan 8.310 nan 0.000 0.485 455 N N 0.639 119.460 118.700 0.202 0.000 2.314 455 N HA 0.566 5.295 4.740 -0.020 0.000 0.294 455 N C -1.330 174.336 175.510 0.260 0.000 1.029 455 N CA -0.391 52.805 53.050 0.242 0.000 0.845 455 N CB 1.681 40.323 38.487 0.257 0.000 1.321 455 N HN 0.349 nan 8.380 nan 0.000 0.481 456 S N 1.509 117.342 115.700 0.221 0.000 2.526 456 S HA 0.573 5.031 4.470 -0.020 0.000 0.293 456 S C -1.488 173.232 174.600 0.200 0.000 1.092 456 S CA -0.555 57.767 58.200 0.202 0.000 0.980 456 S CB 1.360 64.656 63.200 0.160 0.000 1.048 456 S HN 0.395 nan 8.310 nan 0.000 0.483 457 L N 2.917 124.258 121.223 0.196 0.000 2.381 457 L HA 0.666 4.994 4.340 -0.020 0.000 0.274 457 L C -1.518 175.455 176.870 0.173 0.000 0.988 457 L CA -0.099 54.849 54.840 0.178 0.000 0.824 457 L CB 1.693 43.857 42.059 0.176 0.000 1.263 457 L HN 0.538 nan 8.230 nan 0.000 0.410 458 D N 5.518 126.026 120.400 0.180 0.000 2.620 458 D HA 0.358 4.986 4.640 -0.020 0.000 0.252 458 D C -1.197 175.230 176.300 0.212 0.000 1.207 458 D CA -0.182 53.946 54.000 0.213 0.000 0.884 458 D CB 1.823 42.766 40.800 0.239 0.000 1.262 458 D HN 0.697 nan 8.370 nan 0.000 0.552 459 I N 3.146 123.828 120.570 0.187 0.000 2.474 459 I HA 0.671 4.829 4.170 -0.020 0.000 0.294 459 I C -1.785 174.449 176.117 0.196 0.000 1.005 459 I CA -0.662 60.724 61.300 0.143 0.000 1.113 459 I CB 1.455 39.504 38.000 0.082 0.000 1.289 459 I HN 0.262 nan 8.210 nan 0.000 0.436 460 Y N 4.753 125.108 120.300 0.093 0.000 2.597 460 Y HA 0.787 5.325 4.550 -0.020 0.000 0.340 460 Y C -2.234 173.742 175.900 0.126 0.000 1.097 460 Y CA -1.409 56.729 58.100 0.064 0.000 1.037 460 Y CB 1.346 39.873 38.460 0.112 0.000 1.305 460 Y HN 0.639 nan 8.280 nan 0.000 0.463 461 L N 2.272 123.672 121.223 0.296 0.000 2.386 461 L HA 0.755 5.083 4.340 -0.020 0.000 0.271 461 L C -0.627 176.477 176.870 0.391 0.000 0.993 461 L CA -0.452 54.573 54.840 0.310 0.000 0.819 461 L CB 2.526 44.745 42.059 0.267 0.000 1.294 461 L HN 0.980 nan 8.230 nan 0.000 0.414 462 T N 1.892 116.626 114.554 0.300 0.000 2.909 462 T HA 0.889 5.227 4.350 -0.020 0.000 0.299 462 T C -0.713 173.586 174.700 -0.669 0.000 1.073 462 T CA -0.113 61.959 62.100 -0.047 0.000 0.999 462 T CB 1.678 70.616 68.868 0.116 0.000 1.098 462 T HN 0.865 nan 8.240 nan 0.000 0.477 463 G N 3.452 111.459 108.800 -1.321 0.000 2.356 463 G HA2 0.613 4.561 3.960 -0.020 0.000 0.294 463 G HA3 0.613 4.561 3.960 -0.020 0.000 0.294 463 G C -3.517 170.746 174.900 -1.062 0.000 1.423 463 G CA -0.811 43.145 45.100 -1.907 0.000 0.806 463 G HN 0.596 nan 8.290 nan 0.000 0.527 464 P HA 0.781 nan 4.420 nan 0.000 0.285 464 P C -1.426 176.082 177.300 0.348 0.000 1.280 464 P CA -0.731 62.315 63.100 -0.089 0.000 0.862 464 P CB 1.630 33.263 31.700 -0.112 0.000 1.153 465 F N -2.563 117.467 119.950 0.133 0.000 2.650 465 F HA 0.461 4.976 4.527 -0.020 0.000 0.310 465 F C -1.116 174.804 175.800 0.201 0.000 1.112 465 F CA -1.125 57.007 58.000 0.220 0.000 0.986 465 F CB 1.175 40.337 39.000 0.270 0.000 1.285 465 F HN 0.158 nan 8.300 nan 0.000 0.440 466 Q N 2.404 122.372 119.800 0.280 0.000 2.259 466 Q HA 0.334 4.662 4.340 -0.020 0.000 0.249 466 Q C -1.148 175.171 176.000 0.532 0.000 0.914 466 Q CA -0.404 55.527 55.803 0.212 0.000 0.904 466 Q CB 1.562 30.405 28.738 0.176 0.000 1.213 466 Q HN 0.836 nan 8.270 nan 0.000 0.428 467 F N 2.364 122.523 119.950 0.350 0.000 2.129 467 F HA 0.271 4.787 4.527 -0.020 0.000 0.234 467 F C 0.060 176.008 175.800 0.246 0.000 1.092 467 F CA -0.035 58.200 58.000 0.392 0.000 1.242 467 F CB 0.214 39.505 39.000 0.486 0.000 1.604 467 F HN 0.438 nan 8.300 nan 0.000 0.527 468 L N 1.224 122.462 121.223 0.026 0.000 2.956 468 L HA 0.387 4.715 4.340 -0.020 0.000 0.232 468 L C 0.799 177.644 176.870 -0.042 0.000 1.291 468 L CA 0.406 55.111 54.840 -0.226 0.000 1.122 468 L CB 0.211 42.016 42.059 -0.423 0.000 1.461 468 L HN 0.684 nan 8.230 nan 0.000 0.470 469 G N 0.133 108.944 108.800 0.017 0.000 2.162 469 G HA2 -0.265 3.684 3.960 -0.020 0.000 0.260 469 G HA3 -0.265 3.684 3.960 -0.020 0.000 0.260 469 G C 0.389 175.288 174.900 -0.002 0.000 0.976 469 G CA 0.047 45.155 45.100 0.013 0.000 0.655 469 G HN 0.452 nan 8.290 nan 0.000 0.533 470 R N -0.500 120.002 120.500 0.004 0.000 2.888 470 R HA 0.623 4.951 4.340 -0.020 0.000 0.266 470 R C -0.959 175.038 176.300 -0.505 0.000 1.020 470 R CA -1.065 54.941 56.100 -0.157 0.000 0.963 470 R CB 1.238 31.490 30.300 -0.081 0.000 1.197 470 R HN 0.083 nan 8.270 nan 0.000 0.481 471 E N 2.420 122.269 120.200 -0.585 0.000 2.174 471 E HA 0.250 4.589 4.350 -0.020 0.000 0.282 471 E C -0.403 175.631 176.600 -0.944 0.000 0.992 471 E CA -0.142 55.873 56.400 -0.642 0.000 0.803 471 E CB 1.055 30.565 29.700 -0.317 0.000 1.090 471 E HN 0.456 nan 8.360 nan 0.000 0.396 472 H N 0.802 119.547 119.070 -0.542 0.000 2.869 472 H HA 0.521 5.065 4.556 -0.020 0.000 0.342 472 H C 0.081 174.991 175.328 -0.696 0.000 1.250 472 H CA -0.799 54.807 56.048 -0.735 0.000 1.217 472 H CB 1.781 30.870 29.762 -1.120 0.000 1.917 472 H HN 0.509 nan 8.280 nan 0.000 0.586 473 E N 0.346 120.332 120.200 -0.356 0.000 2.433 473 E HA 0.591 4.929 4.350 -0.020 0.000 0.278 473 E C -1.778 174.849 176.600 0.044 0.000 0.976 473 E CA -1.069 55.255 56.400 -0.128 0.000 0.793 473 E CB 2.667 32.245 29.700 -0.202 0.000 1.311 473 E HN 0.238 nan 8.360 nan 0.000 0.460 474 L N 1.066 122.304 121.223 0.024 0.000 2.472 474 L HA 0.561 4.889 4.340 -0.020 0.000 0.260 474 L C -1.869 174.992 176.870 -0.015 0.000 0.963 474 L CA -0.632 54.237 54.840 0.049 0.000 0.829 474 L CB 2.386 44.535 42.059 0.149 0.000 1.348 474 L HN 0.620 nan 8.230 nan 0.000 0.408 475 V N 3.406 123.343 119.914 0.038 0.000 2.555 475 V HA 0.815 4.924 4.120 -0.020 0.000 0.302 475 V C -0.684 175.468 176.094 0.098 0.000 1.038 475 V CA -0.880 61.475 62.300 0.091 0.000 0.887 475 V CB 1.623 33.502 31.823 0.094 0.000 0.991 475 V HN 0.598 nan 8.190 nan 0.000 0.434 476 V N 2.843 122.813 119.914 0.093 0.000 2.709 476 V HA 1.040 5.148 4.120 -0.020 0.000 0.308 476 V C 0.073 176.060 176.094 -0.178 0.000 1.062 476 V CA 0.625 62.899 62.300 -0.042 0.000 0.901 476 V CB 1.698 33.527 31.823 0.010 0.000 1.003 476 V HN 1.318 nan 8.190 nan 0.000 0.425 477 G N 2.708 111.132 108.800 -0.627 0.000 2.623 477 G HA2 0.644 4.592 3.960 -0.020 0.000 0.290 477 G HA3 0.644 4.592 3.960 -0.020 0.000 0.290 477 G C -1.223 173.248 174.900 -0.716 0.000 1.437 477 G CA -0.084 44.589 45.100 -0.712 0.000 0.798 477 G HN 0.917 nan 8.290 nan 0.000 0.488 478 T N -0.994 113.414 114.554 -0.243 0.000 2.923 478 T HA 0.760 5.099 4.350 -0.020 0.000 0.311 478 T C -0.619 174.154 174.700 0.122 0.000 1.183 478 T CA 0.219 62.298 62.100 -0.035 0.000 1.020 478 T CB 1.499 70.363 68.868 -0.006 0.000 1.165 478 T HN 1.726 nan 8.240 nan 0.000 0.482 479 S N 1.627 117.423 115.700 0.160 0.000 2.579 479 S HA 0.929 5.387 4.470 -0.020 0.000 0.272 479 S C -1.331 173.330 174.600 0.101 0.000 1.141 479 S CA -0.621 57.676 58.200 0.161 0.000 0.843 479 S CB 1.756 65.075 63.200 0.198 0.000 1.122 479 S HN 1.325 nan 8.310 nan 0.000 0.468 480 A N 1.285 124.161 122.820 0.094 0.000 2.437 480 A HA 0.834 5.142 4.320 -0.020 0.000 0.293 480 A C -0.510 177.083 177.584 0.015 0.000 1.038 480 A CA -0.448 51.602 52.037 0.021 0.000 0.708 480 A CB 1.347 20.426 19.000 0.132 0.000 1.251 480 A HN 1.906 nan 8.150 nan 0.000 0.409 481 S N 0.866 116.463 115.700 -0.172 0.000 2.557 481 S HA 0.874 5.333 4.470 -0.020 0.000 0.291 481 S C -1.115 173.304 174.600 -0.301 0.000 1.116 481 S CA -0.548 57.606 58.200 -0.077 0.000 0.992 481 S CB 0.881 64.073 63.200 -0.013 0.000 1.028 481 S HN 0.506 nan 8.310 nan 0.000 0.484 482 F N 1.748 121.727 119.950 0.048 0.000 2.493 482 F HA 0.735 5.250 4.527 -0.020 0.000 0.329 482 F C 0.493 176.345 175.800 0.087 0.000 1.126 482 F CA -0.392 57.636 58.000 0.046 0.000 0.937 482 F CB 2.372 41.404 39.000 0.052 0.000 1.146 482 F HN 0.818 nan 8.300 nan 0.000 0.442 483 S N 1.411 117.265 115.700 0.256 0.000 2.548 483 S HA 0.473 4.932 4.470 -0.020 0.000 0.276 483 S C -1.649 173.209 174.600 0.431 0.000 1.129 483 S CA -0.698 57.683 58.200 0.301 0.000 0.931 483 S CB 1.392 64.741 63.200 0.248 0.000 1.068 483 S HN 0.861 nan 8.310 nan 0.000 0.480 484 H N 2.081 121.323 119.070 0.286 0.000 2.860 484 H HA 0.380 4.926 4.556 -0.018 0.000 0.312 484 H C -1.646 173.824 175.328 0.237 0.000 0.995 484 H CA -0.610 55.591 56.048 0.255 0.000 1.311 484 H CB 0.559 30.431 29.762 0.182 0.000 1.478 484 H HN 0.750 nan 8.280 nan 0.000 0.508 485 W N 6.153 127.515 121.300 0.105 0.000 2.331 485 W HA 0.305 4.951 4.660 -0.023 0.000 0.306 485 W C -1.109 175.352 176.519 -0.096 0.000 1.162 485 W CA -0.706 56.535 57.345 -0.173 0.000 1.232 485 W CB 0.574 29.707 29.460 -0.545 0.000 1.235 485 W HN 0.631 nan 8.180 nan 0.000 0.479 486 E N 3.323 123.502 120.200 -0.035 0.000 2.266 486 E HA 0.737 5.076 4.350 -0.020 0.000 0.268 486 E C -0.320 176.164 176.600 -0.194 0.000 0.879 486 E CA -0.829 55.437 56.400 -0.224 0.000 0.762 486 E CB 2.110 31.687 29.700 -0.206 0.000 1.199 486 E HN 0.562 nan 8.360 nan 0.000 0.422 487 G N 1.722 110.372 108.800 -0.250 0.000 2.673 487 G HA2 0.486 4.434 3.960 -0.020 0.000 0.292 487 G HA3 0.486 4.434 3.960 -0.020 0.000 0.292 487 G C -1.484 173.308 174.900 -0.179 0.000 1.450 487 G CA -0.721 44.280 45.100 -0.164 0.000 0.837 487 G HN 0.246 nan 8.290 nan 0.000 0.505 488 K N 0.268 120.560 120.400 -0.181 0.000 2.371 488 K HA 0.744 5.052 4.320 -0.020 0.000 0.251 488 K C -0.891 175.488 176.600 -0.368 0.000 0.934 488 K CA -0.685 55.336 56.287 -0.443 0.000 0.798 488 K CB 2.395 34.627 32.500 -0.446 0.000 1.204 488 K HN 0.408 nan 8.250 nan 0.000 0.427 489 S N 1.300 116.632 115.700 -0.612 0.000 2.542 489 S HA 0.540 4.998 4.470 -0.020 0.000 0.293 489 S C -1.576 172.465 174.600 -0.933 0.000 1.089 489 S CA -0.693 57.217 58.200 -0.483 0.000 0.961 489 S CB 0.689 63.858 63.200 -0.051 0.000 1.062 489 S HN 0.402 nan 8.310 nan 0.000 0.483 490 Y N 1.492 121.445 120.300 -0.579 0.000 2.349 490 Y HA 0.351 4.905 4.550 0.007 0.000 0.324 490 Y C 0.048 175.817 175.900 -0.219 0.000 1.005 490 Y CA -1.077 56.740 58.100 -0.473 0.000 1.240 490 Y CB 0.688 38.948 38.460 -0.333 0.000 1.117 490 Y HN 0.958 nan 8.280 nan 0.000 0.463 491 W N -0.106 121.215 121.300 0.035 0.000 2.741 491 W HA 0.362 5.013 4.660 -0.015 0.000 0.317 491 W C -0.511 176.067 176.519 0.098 0.000 1.029 491 W CA -0.345 57.045 57.345 0.075 0.000 1.511 491 W CB 0.187 29.675 29.460 0.046 0.000 1.025 491 W HN 0.149 nan 8.180 nan 0.000 0.554 492 N N 3.254 121.989 118.700 0.057 0.000 3.124 492 N HA 0.159 4.887 4.740 -0.020 0.000 0.284 492 N C -0.196 175.375 175.510 0.101 0.000 1.209 492 N CA 0.179 53.295 53.050 0.110 0.000 1.149 492 N CB 0.105 38.590 38.487 -0.002 0.000 1.434 492 N HN 0.141 nan 8.380 nan 0.000 0.529 493 L N 1.298 122.598 121.223 0.128 0.000 2.485 493 L HA 0.156 4.484 4.340 -0.020 0.000 0.275 493 L C 0.909 177.799 176.870 0.033 0.000 1.207 493 L CA -0.028 54.837 54.840 0.042 0.000 0.855 493 L CB 0.340 42.406 42.059 0.011 0.000 1.114 493 L HN 0.043 nan 8.230 nan 0.000 0.485 494 R N 2.579 123.068 120.500 -0.019 0.000 2.265 494 R HA 0.213 4.541 4.340 -0.020 0.000 0.328 494 R C -0.139 176.160 176.300 -0.002 0.000 0.969 494 R CA -0.843 55.253 56.100 -0.006 0.000 0.832 494 R CB 0.687 30.973 30.300 -0.023 0.000 1.139 494 R HN 0.599 nan 8.270 nan 0.000 0.457 495 N N 0.944 119.661 118.700 0.029 0.000 2.727 495 N HA -0.289 4.439 4.740 -0.020 0.000 0.249 495 N C -1.085 174.476 175.510 0.085 0.000 1.048 495 N CA 0.802 53.874 53.050 0.036 0.000 0.714 495 N CB -1.287 37.206 38.487 0.010 0.000 0.959 495 N HN 0.534 nan 8.380 nan 0.000 0.544 496 Y N 0.978 121.237 120.300 -0.068 0.000 2.352 496 Y HA 0.448 4.992 4.550 -0.010 0.000 0.326 496 Y C -0.141 175.733 175.900 -0.043 0.000 1.166 496 Y CA -1.592 56.462 58.100 -0.077 0.000 1.182 496 Y CB 1.097 39.495 38.460 -0.103 0.000 1.216 496 Y HN 0.101 nan 8.280 nan 0.000 0.474 497 D N 4.331 124.413 120.400 -0.531 0.000 2.472 497 D HA 0.082 4.710 4.640 -0.020 0.000 0.234 497 D C -0.109 175.725 176.300 -0.777 0.000 1.088 497 D CA -0.430 53.293 54.000 -0.463 0.000 0.882 497 D CB 0.076 40.716 40.800 -0.266 0.000 1.037 497 D HN 0.706 nan 8.370 nan 0.000 0.520 498 N N 2.223 120.559 118.700 -0.606 0.000 2.421 498 N HA -0.056 4.672 4.740 -0.020 0.000 0.201 498 N C 0.048 175.378 175.510 -0.301 0.000 1.198 498 N CA -0.245 52.499 53.050 -0.509 0.000 0.838 498 N CB -0.121 38.271 38.487 -0.158 0.000 1.011 498 N HN 0.340 nan 8.380 nan 0.000 0.463 499 T N -2.462 111.923 114.554 -0.282 0.000 2.907 499 T HA 0.394 4.732 4.350 -0.020 0.000 0.284 499 T C -0.359 174.249 174.700 -0.152 0.000 1.004 499 T CA -0.541 61.410 62.100 -0.247 0.000 1.063 499 T CB 1.889 70.629 68.868 -0.214 0.000 0.992 499 T HN 0.056 nan 8.240 nan 0.000 0.483 500 T N 1.416 115.889 114.554 -0.136 0.000 2.848 500 T HA 0.336 4.675 4.350 -0.020 0.000 0.285 500 T C 0.730 175.436 174.700 0.009 0.000 0.995 500 T CA -0.615 61.490 62.100 0.007 0.000 0.970 500 T CB 1.124 70.087 68.868 0.157 0.000 0.976 500 T HN 0.788 nan 8.240 nan 0.000 0.441 501 D N 2.830 123.258 120.400 0.048 0.000 2.371 501 D HA 0.033 4.661 4.640 -0.020 0.000 0.221 501 D C 0.142 176.501 176.300 0.098 0.000 0.986 501 D CA 0.417 54.447 54.000 0.050 0.000 0.899 501 D CB 0.228 41.052 40.800 0.041 0.000 0.902 501 D HN 0.480 nan 8.370 nan 0.000 0.530 502 D N -0.979 119.516 120.400 0.158 0.000 2.319 502 D HA 0.064 4.692 4.640 -0.020 0.000 0.237 502 D C -0.592 175.897 176.300 0.315 0.000 1.353 502 D CA -0.764 53.360 54.000 0.207 0.000 0.992 502 D CB -0.005 40.890 40.800 0.158 0.000 1.368 502 D HN -0.079 nan 8.370 nan 0.000 0.564 503 F N 3.491 123.549 119.950 0.180 0.000 2.219 503 F HA 0.217 4.732 4.527 -0.020 0.000 0.294 503 F C 1.681 177.693 175.800 0.354 0.000 1.086 503 F CA 0.750 58.895 58.000 0.243 0.000 1.330 503 F CB 0.046 39.132 39.000 0.144 0.000 1.047 503 F HN 0.395 nan 8.300 nan 0.000 0.495 504 I N 0.739 121.560 120.570 0.419 0.000 2.361 504 I HA -0.304 3.854 4.170 -0.020 0.000 0.251 504 I C 0.656 176.904 176.117 0.219 0.000 1.133 504 I CA 1.704 63.186 61.300 0.304 0.000 1.413 504 I CB -0.386 37.772 38.000 0.263 0.000 1.073 504 I HN 0.223 nan 8.210 nan 0.000 0.424 505 N N -0.707 118.110 118.700 0.195 0.000 2.234 505 N HA -0.006 4.723 4.740 -0.020 0.000 0.227 505 N C -0.239 175.330 175.510 0.099 0.000 1.151 505 N CA -0.327 52.800 53.050 0.129 0.000 0.865 505 N CB 0.131 38.669 38.487 0.086 0.000 1.066 505 N HN 0.283 nan 8.380 nan 0.000 0.515 506 W N 1.741 122.993 121.300 -0.079 0.000 2.391 506 W HA -0.117 4.530 4.660 -0.022 0.000 0.339 506 W C -0.070 176.292 176.519 -0.261 0.000 1.252 506 W CA 0.993 58.228 57.345 -0.183 0.000 1.304 506 W CB 0.655 29.960 29.460 -0.258 0.000 1.179 506 W HN 0.196 nan 8.180 nan 0.000 0.567 507 D N 1.843 121.586 120.400 -1.095 0.000 2.453 507 D HA 0.118 4.747 4.640 -0.020 0.000 0.256 507 D C 1.494 176.767 176.300 -1.713 0.000 1.152 507 D CA 0.846 54.276 54.000 -0.950 0.000 0.818 507 D CB 0.245 40.686 40.800 -0.599 0.000 1.259 507 D HN 0.690 nan 8.370 nan 0.000 0.531 508 G N 1.659 109.012 108.800 -2.411 0.000 2.176 508 G HA2 -0.268 3.681 3.960 -0.020 0.000 0.253 508 G HA3 -0.268 3.681 3.960 -0.020 0.000 0.253 508 G C 0.245 174.505 174.900 -1.066 0.000 0.979 508 G CA 0.339 44.367 45.100 -1.787 0.000 0.641 508 G HN 0.399 nan 8.290 nan 0.000 0.530 509 D N 0.769 120.616 120.400 -0.921 0.000 2.713 509 D HA 0.470 5.099 4.640 -0.020 0.000 0.229 509 D C 0.550 176.718 176.300 -0.220 0.000 1.136 509 D CA -0.245 53.505 54.000 -0.417 0.000 1.010 509 D CB -0.489 40.123 40.800 -0.315 0.000 1.084 509 D HN 0.498 nan 8.370 nan 0.000 0.495 510 I N 0.378 120.902 120.570 -0.075 0.000 2.846 510 I HA 0.613 4.772 4.170 -0.020 0.000 0.307 510 I C 0.816 177.149 176.117 0.361 0.000 1.053 510 I CA -1.033 60.382 61.300 0.192 0.000 1.050 510 I CB 1.824 40.054 38.000 0.384 0.000 1.239 510 I HN 0.244 nan 8.210 nan 0.000 0.439 511 G N 3.051 112.057 108.800 0.344 0.000 2.651 511 G HA2 0.184 4.132 3.960 -0.020 0.000 0.260 511 G HA3 0.184 4.132 3.960 -0.020 0.000 0.260 511 G C -0.945 174.173 174.900 0.364 0.000 1.216 511 G CA -0.426 44.863 45.100 0.316 0.000 0.913 511 G HN 0.688 nan 8.290 nan 0.000 0.535 512 K N 0.759 121.061 120.400 -0.164 0.000 2.274 512 K HA 0.481 4.789 4.320 -0.020 0.000 0.262 512 K C -2.290 173.774 176.600 -0.894 0.000 0.961 512 K CA -1.644 54.114 56.287 -0.882 0.000 0.833 512 K CB 1.867 33.639 32.500 -1.215 0.000 1.102 512 K HN 0.275 nan 8.250 nan 0.000 0.436 513 P HA 0.089 nan 4.420 nan 0.000 0.276 513 P C -1.028 175.582 177.300 -1.150 0.000 1.252 513 P CA -0.389 61.861 63.100 -1.416 0.000 0.802 513 P CB 0.617 31.140 31.700 -1.962 0.000 1.035 514 D N 0.534 120.530 120.400 -0.674 0.000 2.342 514 D HA 0.013 4.641 4.640 -0.020 0.000 0.260 514 D C 0.546 176.582 176.300 -0.439 0.000 1.278 514 D CA -0.102 53.614 54.000 -0.473 0.000 0.910 514 D CB -0.052 40.609 40.800 -0.233 0.000 1.079 514 D HN 0.301 nan 8.370 nan 0.000 0.496 515 W N 3.713 124.848 121.300 -0.275 0.000 2.468 515 W HA 0.023 4.644 4.660 -0.066 0.000 0.262 515 W C 1.892 178.342 176.519 -0.115 0.000 1.241 515 W CA 0.320 57.503 57.345 -0.269 0.000 1.232 515 W CB -0.167 28.981 29.460 -0.520 0.000 1.124 515 W HN 0.701 nan 8.180 nan 0.000 0.597 516 G N 0.423 109.268 108.800 0.075 0.000 2.569 516 G HA2 -0.304 3.644 3.960 -0.020 0.000 0.259 516 G HA3 -0.304 3.644 3.960 -0.020 0.000 0.259 516 G C 0.195 175.198 174.900 0.171 0.000 1.263 516 G CA 0.333 45.480 45.100 0.079 0.000 0.928 516 G HN 0.281 nan 8.290 nan 0.000 0.572 517 T N -0.675 113.946 114.554 0.110 0.000 2.897 517 T HA 0.700 5.038 4.350 -0.020 0.000 0.278 517 T C -2.772 171.864 174.700 -0.106 0.000 0.981 517 T CA -1.087 61.066 62.100 0.090 0.000 0.973 517 T CB 1.993 70.869 68.868 0.014 0.000 1.092 517 T HN 0.567 nan 8.240 nan 0.000 0.543 518 P HA 0.320 nan 4.420 nan 0.000 0.271 518 P C 0.380 177.224 177.300 -0.760 0.000 1.216 518 P CA -0.258 62.239 63.100 -1.007 0.000 0.771 518 P CB 0.602 31.619 31.700 -1.139 0.000 0.864 519 S N 1.058 116.168 115.700 -0.983 0.000 2.428 519 S HA -0.102 4.356 4.470 -0.020 0.000 0.230 519 S C 0.642 174.793 174.600 -0.749 0.000 1.014 519 S CA 0.888 58.463 58.200 -1.043 0.000 0.957 519 S CB -0.193 61.653 63.200 -2.256 0.000 0.784 519 S HN 0.627 nan 8.310 nan 0.000 0.499 520 Q N -0.899 118.447 119.800 -0.756 0.000 2.403 520 Q HA 0.362 4.690 4.340 -0.020 0.000 0.267 520 Q C -2.285 173.408 176.000 -0.511 0.000 0.991 520 Q CA -0.605 54.951 55.803 -0.411 0.000 0.906 520 Q CB 0.919 29.535 28.738 -0.204 0.000 1.422 520 Q HN 0.235 nan 8.270 nan 0.000 0.400 521 Y N 2.800 122.985 120.300 -0.191 0.000 2.352 521 Y HA 0.494 5.033 4.550 -0.019 0.000 0.339 521 Y C 0.066 175.845 175.900 -0.201 0.000 0.992 521 Y CA -0.857 57.127 58.100 -0.194 0.000 1.100 521 Y CB 1.404 39.770 38.460 -0.157 0.000 1.192 521 Y HN 0.444 nan 8.280 nan 0.000 0.458 522 I N 2.579 123.049 120.570 -0.167 0.000 2.392 522 I HA 0.255 4.413 4.170 -0.020 0.000 0.295 522 I C -0.751 175.195 176.117 -0.286 0.000 0.985 522 I CA -0.516 60.557 61.300 -0.379 0.000 1.221 522 I CB 1.478 38.934 38.000 -0.906 0.000 1.366 522 I HN 0.681 nan 8.210 nan 0.000 0.467 523 D N 3.942 124.234 120.400 -0.180 0.000 2.323 523 D HA 0.356 4.984 4.640 -0.020 0.000 0.242 523 D C -1.380 174.964 176.300 0.073 0.000 1.347 523 D CA -0.173 53.824 54.000 -0.006 0.000 0.988 523 D CB 1.011 41.855 40.800 0.073 0.000 1.314 523 D HN 0.429 nan 8.370 nan 0.000 0.564 524 D N 2.096 122.595 120.400 0.165 0.000 2.498 524 D HA 0.474 5.102 4.640 -0.020 0.000 0.247 524 D C -0.929 175.603 176.300 0.387 0.000 1.070 524 D CA -0.481 53.698 54.000 0.298 0.000 0.842 524 D CB 1.238 42.327 40.800 0.481 0.000 1.361 524 D HN 0.089 nan 8.370 nan 0.000 0.484 525 K N 1.574 122.129 120.400 0.259 0.000 2.426 525 K HA 0.552 4.860 4.320 -0.020 0.000 0.254 525 K C -1.129 175.554 176.600 0.139 0.000 0.936 525 K CA -0.757 55.637 56.287 0.178 0.000 0.801 525 K CB 2.189 34.677 32.500 -0.019 0.000 1.139 525 K HN 0.256 nan 8.250 nan 0.000 0.424 526 T N 2.473 117.092 114.554 0.107 0.000 2.807 526 T HA 0.361 4.699 4.350 -0.020 0.000 0.279 526 T C -0.812 173.759 174.700 -0.215 0.000 0.993 526 T CA -0.731 61.281 62.100 -0.146 0.000 0.970 526 T CB 1.110 69.807 68.868 -0.286 0.000 0.950 526 T HN 0.296 nan 8.240 nan 0.000 0.441 527 R N 2.803 123.085 120.500 -0.362 0.000 2.476 527 R HA 0.313 4.641 4.340 -0.020 0.000 0.305 527 R C -1.383 174.634 176.300 -0.472 0.000 0.965 527 R CA -0.509 55.325 56.100 -0.443 0.000 0.867 527 R CB 1.446 31.538 30.300 -0.346 0.000 1.176 527 R HN 0.595 nan 8.270 nan 0.000 0.447 528 Q N 5.245 124.789 119.800 -0.427 0.000 2.325 528 Q HA 0.435 4.763 4.340 -0.020 0.000 0.270 528 Q C -1.056 174.837 176.000 -0.179 0.000 1.020 528 Q CA -0.707 54.959 55.803 -0.229 0.000 0.785 528 Q CB 1.985 30.649 28.738 -0.123 0.000 1.259 528 Q HN 0.566 nan 8.270 nan 0.000 0.452 529 L N 1.393 122.571 121.223 -0.075 0.000 2.346 529 L HA 0.832 5.160 4.340 -0.020 0.000 0.276 529 L C 0.267 177.170 176.870 0.056 0.000 1.006 529 L CA -0.886 53.941 54.840 -0.022 0.000 0.817 529 L CB 2.185 44.234 42.059 -0.016 0.000 1.272 529 L HN 0.623 nan 8.230 nan 0.000 0.421 530 G N 0.608 109.460 108.800 0.087 0.000 2.619 530 G HA2 0.719 4.667 3.960 -0.020 0.000 0.296 530 G HA3 0.719 4.667 3.960 -0.020 0.000 0.296 530 G C -1.508 173.488 174.900 0.160 0.000 1.334 530 G CA -0.378 44.805 45.100 0.139 0.000 0.934 530 G HN 0.434 nan 8.290 nan 0.000 0.476 531 S N -0.488 115.319 115.700 0.178 0.000 2.548 531 S HA 0.772 5.230 4.470 -0.020 0.000 0.276 531 S C -1.397 173.317 174.600 0.190 0.000 1.129 531 S CA -0.542 57.720 58.200 0.103 0.000 0.931 531 S CB 1.294 64.535 63.200 0.069 0.000 1.068 531 S HN 0.871 nan 8.310 nan 0.000 0.480 532 Y N -0.353 119.980 120.300 0.055 0.000 2.655 532 Y HA 0.856 5.394 4.550 -0.020 0.000 0.336 532 Y C -0.931 174.995 175.900 0.043 0.000 1.154 532 Y CA -1.491 56.631 58.100 0.037 0.000 1.055 532 Y CB 1.503 39.953 38.460 -0.016 0.000 1.295 532 Y HN 0.659 nan 8.280 nan 0.000 0.465 533 M N 1.904 121.638 119.600 0.223 0.000 2.333 533 M HA 0.613 5.081 4.480 -0.020 0.000 0.286 533 M C -2.294 174.090 176.300 0.139 0.000 1.113 533 M CA 0.023 55.402 55.300 0.132 0.000 0.959 533 M CB 2.309 34.965 32.600 0.092 0.000 1.776 533 M HN 0.886 nan 8.290 nan 0.000 0.492 534 T N 2.973 117.588 114.554 0.100 0.000 2.900 534 T HA 0.913 5.251 4.350 -0.020 0.000 0.295 534 T C -1.169 173.559 174.700 0.047 0.000 1.044 534 T CA -0.651 61.491 62.100 0.070 0.000 0.995 534 T CB 1.849 70.714 68.868 -0.006 0.000 1.072 534 T HN 0.765 nan 8.240 nan 0.000 0.473 535 A N 2.210 125.049 122.820 0.033 0.000 2.365 535 A HA 0.837 5.145 4.320 -0.020 0.000 0.318 535 A C -0.491 176.940 177.584 -0.256 0.000 1.091 535 A CA -0.865 51.088 52.037 -0.140 0.000 0.763 535 A CB 1.284 20.125 19.000 -0.266 0.000 1.248 535 A HN 0.760 nan 8.150 nan 0.000 0.442 536 R N 2.237 122.491 120.500 -0.410 0.000 2.320 536 R HA 0.545 4.873 4.340 -0.020 0.000 0.319 536 R C -1.916 174.127 176.300 -0.428 0.000 0.969 536 R CA -0.299 55.483 56.100 -0.529 0.000 0.857 536 R CB 0.423 30.399 30.300 -0.540 0.000 1.160 536 R HN 0.576 nan 8.270 nan 0.000 0.491 537 F N 2.480 122.344 119.950 -0.143 0.000 2.410 537 F HA 0.258 4.773 4.527 -0.020 0.000 0.349 537 F C 1.037 176.884 175.800 0.079 0.000 1.117 537 F CA -0.609 57.379 58.000 -0.020 0.000 1.104 537 F CB 1.332 40.245 39.000 -0.144 0.000 1.122 537 F HN 0.388 nan 8.300 nan 0.000 0.483 538 N N 3.489 122.468 118.700 0.464 0.000 2.605 538 N HA 0.093 4.821 4.740 -0.020 0.000 0.258 538 N C 0.751 176.417 175.510 0.260 0.000 1.156 538 N CA -0.092 53.082 53.050 0.207 0.000 1.008 538 N CB 0.701 39.200 38.487 0.020 0.000 1.354 538 N HN 0.468 nan 8.380 nan 0.000 0.509 539 V N 1.670 121.705 119.914 0.203 0.000 2.323 539 V HA -0.093 4.016 4.120 -0.020 0.000 0.244 539 V C 1.479 177.641 176.094 0.113 0.000 1.041 539 V CA 1.698 64.094 62.300 0.160 0.000 1.025 539 V CB -0.415 31.475 31.823 0.111 0.000 0.656 539 V HN 0.755 nan 8.190 nan 0.000 0.451 540 T N -4.366 110.247 114.554 0.098 0.000 2.742 540 T HA 0.282 4.620 4.350 -0.020 0.000 0.282 540 T C 0.435 175.159 174.700 0.040 0.000 1.025 540 T CA -0.343 61.797 62.100 0.067 0.000 1.020 540 T CB 1.472 70.388 68.868 0.079 0.000 1.317 540 T HN 0.005 nan 8.240 nan 0.000 0.538 541 D N 0.498 120.909 120.400 0.017 0.000 2.311 541 D HA -0.031 4.598 4.640 -0.020 0.000 0.212 541 D C 0.644 176.925 176.300 -0.031 0.000 0.972 541 D CA 1.167 55.161 54.000 -0.010 0.000 0.887 541 D CB -0.000 40.790 40.800 -0.017 0.000 0.915 541 D HN 0.538 nan 8.370 nan 0.000 0.497 542 D N -0.681 119.701 120.400 -0.030 0.000 2.474 542 D HA 0.102 4.730 4.640 -0.020 0.000 0.213 542 D C 0.144 176.416 176.300 -0.045 0.000 1.120 542 D CA -0.232 53.694 54.000 -0.125 0.000 0.836 542 D CB 1.127 41.716 40.800 -0.351 0.000 1.019 542 D HN 0.102 nan 8.370 nan 0.000 0.507 543 L N 1.159 122.434 121.223 0.087 0.000 2.381 543 L HA 0.446 4.774 4.340 -0.020 0.000 0.274 543 L C -1.400 175.558 176.870 0.146 0.000 0.988 543 L CA -0.385 54.569 54.840 0.190 0.000 0.824 543 L CB 1.721 43.951 42.059 0.286 0.000 1.263 543 L HN -0.270 nan 8.230 nan 0.000 0.410 544 N N 4.950 123.742 118.700 0.154 0.000 2.372 544 N HA 0.477 5.205 4.740 -0.020 0.000 0.285 544 N C -1.707 173.881 175.510 0.129 0.000 1.008 544 N CA -0.525 52.580 53.050 0.092 0.000 0.880 544 N CB 2.658 41.158 38.487 0.022 0.000 1.239 544 N HN 0.442 nan 8.380 nan 0.000 0.484 545 L N 2.921 124.206 121.223 0.104 0.000 2.313 545 L HA 0.587 4.915 4.340 -0.020 0.000 0.283 545 L C -1.484 175.480 176.870 0.158 0.000 1.013 545 L CA -0.497 54.468 54.840 0.209 0.000 0.816 545 L CB 0.630 42.828 42.059 0.231 0.000 1.236 545 L HN 0.349 nan 8.230 nan 0.000 0.419 546 F N 5.930 126.042 119.950 0.270 0.000 2.402 546 F HA 0.584 5.100 4.527 -0.020 0.000 0.355 546 F C -0.431 175.565 175.800 0.327 0.000 1.123 546 F CA -0.335 57.838 58.000 0.287 0.000 1.021 546 F CB 1.274 40.485 39.000 0.351 0.000 1.160 546 F HN 0.232 nan 8.300 nan 0.000 0.451 547 L N 3.777 125.277 121.223 0.461 0.000 2.376 547 L HA 0.885 5.214 4.340 -0.020 0.000 0.275 547 L C 0.024 177.102 176.870 0.347 0.000 0.987 547 L CA -0.466 54.620 54.840 0.410 0.000 0.828 547 L CB 1.825 44.114 42.059 0.384 0.000 1.249 547 L HN 0.757 nan 8.230 nan 0.000 0.409 548 G N 1.179 110.194 108.800 0.358 0.000 2.619 548 G HA2 0.811 4.760 3.960 -0.020 0.000 0.305 548 G HA3 0.811 4.760 3.960 -0.020 0.000 0.305 548 G C -1.251 173.804 174.900 0.259 0.000 1.330 548 G CA -0.061 45.194 45.100 0.258 0.000 0.789 548 G HN 0.862 nan 8.290 nan 0.000 0.487 549 G N -1.329 107.574 108.800 0.173 0.000 2.349 549 G HA2 0.597 4.545 3.960 -0.020 0.000 0.294 549 G HA3 0.597 4.545 3.960 -0.020 0.000 0.294 549 G C -1.825 173.099 174.900 0.041 0.000 1.380 549 G CA -0.660 44.433 45.100 -0.012 0.000 0.811 549 G HN 0.630 nan 8.290 nan 0.000 0.519 550 R N -0.655 119.775 120.500 -0.116 0.000 2.621 550 R HA 0.667 4.995 4.340 -0.020 0.000 0.292 550 R C -1.304 175.055 176.300 0.098 0.000 0.969 550 R CA -0.698 55.434 56.100 0.053 0.000 0.887 550 R CB 2.214 32.512 30.300 -0.003 0.000 1.180 550 R HN 0.821 nan 8.270 nan 0.000 0.450 551 V N 5.282 125.327 119.914 0.219 0.000 2.435 551 V HA 0.633 4.741 4.120 -0.020 0.000 0.290 551 V C -1.166 175.043 176.094 0.191 0.000 1.030 551 V CA -0.270 62.180 62.300 0.250 0.000 0.881 551 V CB 1.716 33.703 31.823 0.274 0.000 0.983 551 V HN 0.535 nan 8.190 nan 0.000 0.445 552 V N 5.785 125.824 119.914 0.208 0.000 2.680 552 V HA 0.599 4.707 4.120 -0.020 0.000 0.309 552 V C -0.780 175.443 176.094 0.215 0.000 1.052 552 V CA -0.587 61.843 62.300 0.216 0.000 0.908 552 V CB 1.899 33.905 31.823 0.304 0.000 1.001 552 V HN 0.976 nan 8.190 nan 0.000 0.431 553 D N 2.069 122.575 120.400 0.178 0.000 2.629 553 D HA 0.398 5.026 4.640 -0.020 0.000 0.250 553 D C -1.963 174.450 176.300 0.189 0.000 1.126 553 D CA -0.285 53.810 54.000 0.160 0.000 0.852 553 D CB 2.031 42.885 40.800 0.090 0.000 1.335 553 D HN 0.544 nan 8.370 nan 0.000 0.518 554 Y N 3.398 123.731 120.300 0.054 0.000 2.315 554 Y HA 0.322 4.860 4.550 -0.020 0.000 0.324 554 Y C -1.083 174.831 175.900 0.025 0.000 1.062 554 Y CA -0.843 57.272 58.100 0.026 0.000 1.159 554 Y CB 1.139 39.642 38.460 0.072 0.000 1.145 554 Y HN 0.366 nan 8.280 nan 0.000 0.442 555 R N 5.396 125.785 120.500 -0.186 0.000 2.534 555 R HA 0.789 5.117 4.340 -0.020 0.000 0.301 555 R C -2.229 173.958 176.300 -0.187 0.000 0.961 555 R CA -0.803 55.247 56.100 -0.084 0.000 0.871 555 R CB 1.908 32.184 30.300 -0.039 0.000 1.170 555 R HN 0.497 nan 8.270 nan 0.000 0.446 556 V N 3.434 123.320 119.914 -0.046 0.000 2.588 556 V HA 0.643 4.751 4.120 -0.020 0.000 0.304 556 V C -1.401 174.729 176.094 0.061 0.000 1.042 556 V CA -0.023 62.274 62.300 -0.005 0.000 0.877 556 V CB 2.089 33.933 31.823 0.036 0.000 0.996 556 V HN 0.927 nan 8.190 nan 0.000 0.425 557 T N 4.516 119.115 114.554 0.074 0.000 2.909 557 T HA 0.940 5.278 4.350 -0.020 0.000 0.299 557 T C -0.011 174.743 174.700 0.090 0.000 1.073 557 T CA 0.443 62.584 62.100 0.068 0.000 0.999 557 T CB 1.467 70.359 68.868 0.039 0.000 1.098 557 T HN 1.794 nan 8.240 nan 0.000 0.477 558 G N 1.079 109.926 108.800 0.078 0.000 2.292 558 G HA2 0.007 3.956 3.960 -0.020 0.000 0.194 558 G HA3 0.007 3.956 3.960 -0.020 0.000 0.194 558 G C 0.156 175.100 174.900 0.073 0.000 1.329 558 G CA -0.381 44.768 45.100 0.082 0.000 1.100 558 G HN 0.677 nan 8.290 nan 0.000 0.470 559 L N 1.336 122.602 121.223 0.072 0.000 2.395 559 L HA 0.187 4.515 4.340 -0.020 0.000 0.218 559 L C 0.863 177.784 176.870 0.085 0.000 1.130 559 L CA 0.348 55.227 54.840 0.065 0.000 0.826 559 L CB -0.636 41.452 42.059 0.047 0.000 0.941 559 L HN 0.297 nan 8.230 nan 0.000 0.451 560 N N 0.623 119.388 118.700 0.109 0.000 2.445 560 N HA 0.263 4.991 4.740 -0.020 0.000 0.264 560 N C -2.266 173.304 175.510 0.100 0.000 1.227 560 N CA -1.353 51.770 53.050 0.121 0.000 0.963 560 N CB -0.099 38.484 38.487 0.159 0.000 1.188 560 N HN -0.166 nan 8.380 nan 0.000 0.491 561 P HA 0.086 nan 4.420 nan 0.000 0.268 561 P C -0.268 177.080 177.300 0.080 0.000 1.204 561 P CA 0.164 63.312 63.100 0.079 0.000 0.768 561 P CB 0.156 31.902 31.700 0.077 0.000 0.842 562 T N 3.540 118.137 114.554 0.070 0.000 2.946 562 T HA 0.121 4.459 4.350 -0.020 0.000 0.312 562 T C 0.585 175.331 174.700 0.075 0.000 1.066 562 T CA 0.635 62.777 62.100 0.070 0.000 1.138 562 T CB -0.223 68.680 68.868 0.057 0.000 1.014 562 T HN 0.201 nan 8.240 nan 0.000 0.544 563 I N 3.175 123.797 120.570 0.087 0.000 2.465 563 I HA 0.525 4.683 4.170 -0.020 0.000 0.291 563 I C 0.274 176.464 176.117 0.122 0.000 1.014 563 I CA -0.737 60.626 61.300 0.104 0.000 1.093 563 I CB 1.476 39.552 38.000 0.128 0.000 1.267 563 I HN 0.264 nan 8.210 nan 0.000 0.431 564 R N 4.976 125.546 120.500 0.117 0.000 2.548 564 R HA 0.435 4.764 4.340 -0.020 0.000 0.280 564 R C -1.644 174.725 176.300 0.115 0.000 1.061 564 R CA -0.630 55.542 56.100 0.119 0.000 0.915 564 R CB 2.463 32.810 30.300 0.078 0.000 1.210 564 R HN 0.539 nan 8.270 nan 0.000 0.442 565 E N 1.559 121.851 120.200 0.153 0.000 2.246 565 E HA 0.404 4.742 4.350 -0.020 0.000 0.266 565 E C -0.964 175.704 176.600 0.113 0.000 0.880 565 E CA -0.555 55.906 56.400 0.103 0.000 0.762 565 E CB 2.557 32.319 29.700 0.103 0.000 1.180 565 E HN 0.397 nan 8.360 nan 0.000 0.416 566 S N -0.274 115.464 115.700 0.064 0.000 2.568 566 S HA 0.591 5.049 4.470 -0.020 0.000 0.302 566 S C 0.733 175.365 174.600 0.052 0.000 1.082 566 S CA -0.156 58.084 58.200 0.068 0.000 1.009 566 S CB 1.713 64.944 63.200 0.051 0.000 1.069 566 S HN 0.774 nan 8.310 nan 0.000 0.500 567 G N 1.918 110.761 108.800 0.072 0.000 2.269 567 G HA2 -0.262 3.686 3.960 -0.020 0.000 0.277 567 G HA3 -0.262 3.686 3.960 -0.020 0.000 0.277 567 G C 0.044 174.992 174.900 0.080 0.000 1.008 567 G CA 0.222 45.367 45.100 0.075 0.000 0.774 567 G HN 0.565 nan 8.290 nan 0.000 0.511 568 R N -0.701 119.835 120.500 0.061 0.000 2.370 568 R HA 0.282 4.610 4.340 -0.020 0.000 0.309 568 R C -0.277 176.115 176.300 0.154 0.000 1.059 568 R CA -0.310 55.782 56.100 -0.014 0.000 0.981 568 R CB 0.306 30.426 30.300 -0.300 0.000 0.972 568 R HN 0.208 nan 8.270 nan 0.000 0.437 569 F N 4.633 124.577 119.950 -0.011 0.000 2.410 569 F HA 0.384 4.900 4.527 -0.020 0.000 0.349 569 F C -0.206 175.642 175.800 0.080 0.000 1.117 569 F CA -0.956 57.076 58.000 0.053 0.000 1.104 569 F CB 0.723 39.748 39.000 0.041 0.000 1.122 569 F HN 0.350 nan 8.300 nan 0.000 0.483 570 I N 8.990 129.209 120.570 -0.586 0.000 2.359 570 I HA 0.299 4.457 4.170 -0.020 0.000 0.284 570 I C -2.204 173.434 176.117 -0.798 0.000 1.018 570 I CA -2.069 58.951 61.300 -0.467 0.000 1.173 570 I CB 1.361 39.255 38.000 -0.177 0.000 1.326 570 I HN 0.422 nan 8.210 nan 0.000 0.462 571 P HA 0.112 nan 4.420 nan 0.000 0.276 571 P C -1.494 175.801 177.300 -0.008 0.000 1.244 571 P CA -0.190 62.751 63.100 -0.265 0.000 0.801 571 P CB 1.074 32.890 31.700 0.193 0.000 1.006 572 Y N 1.116 121.416 120.300 0.000 0.000 2.332 572 Y HA 0.447 4.985 4.550 -0.020 0.000 0.325 572 Y C -1.642 174.340 175.900 0.138 0.000 1.054 572 Y CA -0.601 57.513 58.100 0.023 0.000 1.119 572 Y CB 1.471 39.915 38.460 -0.026 0.000 1.168 572 Y HN 0.090 nan 8.280 nan 0.000 0.439 573 V N 5.236 125.105 119.914 -0.075 0.000 2.623 573 V HA 0.933 5.041 4.120 -0.020 0.000 0.304 573 V C -0.229 175.828 176.094 -0.062 0.000 1.054 573 V CA -0.218 62.137 62.300 0.091 0.000 0.882 573 V CB 1.628 33.535 31.823 0.141 0.000 1.002 573 V HN 0.986 nan 8.190 nan 0.000 0.424 574 G N 2.525 111.415 108.800 0.151 0.000 2.677 574 G HA2 0.917 4.865 3.960 -0.020 0.000 0.291 574 G HA3 0.917 4.865 3.960 -0.020 0.000 0.291 574 G C -1.429 173.693 174.900 0.371 0.000 1.435 574 G CA -0.078 45.112 45.100 0.151 0.000 0.826 574 G HN 1.209 nan 8.290 nan 0.000 0.491 575 A N -0.489 122.528 122.820 0.328 0.000 2.539 575 A HA 0.859 5.167 4.320 -0.020 0.000 0.296 575 A C -1.442 176.364 177.584 0.370 0.000 1.073 575 A CA -0.623 51.630 52.037 0.361 0.000 0.700 575 A CB 2.100 21.248 19.000 0.247 0.000 1.296 575 A HN 1.510 nan 8.150 nan 0.000 0.405 576 V N 1.465 121.598 119.914 0.366 0.000 2.577 576 V HA 0.476 4.584 4.120 -0.020 0.000 0.303 576 V C -1.506 174.771 176.094 0.305 0.000 1.042 576 V CA -0.407 62.095 62.300 0.336 0.000 0.872 576 V CB 1.591 33.593 31.823 0.299 0.000 0.998 576 V HN 0.855 nan 8.190 nan 0.000 0.423 577 Y N 3.185 123.579 120.300 0.156 0.000 2.331 577 Y HA 0.558 5.096 4.550 -0.020 0.000 0.334 577 Y C -0.223 175.737 175.900 0.100 0.000 0.960 577 Y CA -0.972 57.194 58.100 0.111 0.000 1.130 577 Y CB 1.334 39.849 38.460 0.092 0.000 1.164 577 Y HN 0.691 nan 8.280 nan 0.000 0.458 578 D N 6.514 126.647 120.400 -0.444 0.000 2.351 578 D HA 0.179 4.808 4.640 -0.020 0.000 0.251 578 D C 0.606 176.657 176.300 -0.415 0.000 1.137 578 D CA 0.251 54.062 54.000 -0.315 0.000 0.879 578 D CB 1.770 42.434 40.800 -0.226 0.000 1.181 578 D HN 0.728 nan 8.370 nan 0.000 0.448 579 L N 1.495 122.646 121.223 -0.120 0.000 2.467 579 L HA 0.137 4.465 4.340 -0.020 0.000 0.213 579 L C 0.907 177.775 176.870 -0.003 0.000 1.053 579 L CA 0.368 55.195 54.840 -0.021 0.000 0.847 579 L CB 0.020 42.141 42.059 0.104 0.000 1.075 579 L HN 0.387 nan 8.230 nan 0.000 0.479 580 N N -2.199 116.504 118.700 0.004 0.000 3.344 580 N HA 0.111 4.839 4.740 -0.020 0.000 0.296 580 N C -0.593 174.882 175.510 -0.057 0.000 1.571 580 N CA -0.651 52.392 53.050 -0.012 0.000 0.844 580 N CB 0.542 39.045 38.487 0.028 0.000 1.718 580 N HN -0.276 nan 8.380 nan 0.000 0.589 581 D N 0.461 120.821 120.400 -0.067 0.000 2.239 581 D HA -0.108 4.520 4.640 -0.020 0.000 0.202 581 D C 1.122 177.316 176.300 -0.176 0.000 0.993 581 D CA 1.867 55.808 54.000 -0.099 0.000 0.874 581 D CB -0.099 40.655 40.800 -0.077 0.000 0.922 581 D HN 0.493 nan 8.370 nan 0.000 0.464 582 T N -1.146 113.264 114.554 -0.240 0.000 3.021 582 T HA 0.019 4.357 4.350 -0.020 0.000 0.245 582 T C 0.186 174.503 174.700 -0.638 0.000 1.028 582 T CA 0.356 62.127 62.100 -0.550 0.000 1.139 582 T CB 0.325 68.727 68.868 -0.777 0.000 0.884 582 T HN -0.003 nan 8.240 nan 0.000 0.457 583 Y N 0.874 121.096 120.300 -0.129 0.000 2.446 583 Y HA 0.648 5.186 4.550 -0.020 0.000 0.345 583 Y C -0.091 175.790 175.900 -0.031 0.000 0.984 583 Y CA -1.202 56.854 58.100 -0.074 0.000 1.058 583 Y CB 1.949 40.392 38.460 -0.029 0.000 1.220 583 Y HN -0.110 nan 8.280 nan 0.000 0.455 584 S N 1.858 117.671 115.700 0.188 0.000 2.526 584 S HA 0.689 5.147 4.470 -0.020 0.000 0.293 584 S C -0.852 173.896 174.600 0.246 0.000 1.092 584 S CA -0.884 57.413 58.200 0.163 0.000 0.980 584 S CB 1.529 64.797 63.200 0.112 0.000 1.048 584 S HN 0.512 nan 8.310 nan 0.000 0.483 585 V N 1.698 121.766 119.914 0.256 0.000 2.713 585 V HA 0.937 5.045 4.120 -0.020 0.000 0.307 585 V C -0.960 175.326 176.094 0.320 0.000 1.052 585 V CA -0.626 61.825 62.300 0.252 0.000 0.967 585 V CB 0.775 32.693 31.823 0.158 0.000 1.019 585 V HN 0.947 nan 8.190 nan 0.000 0.459 586 Y N 0.943 121.326 120.300 0.139 0.000 2.625 586 Y HA 0.976 5.515 4.550 -0.020 0.000 0.338 586 Y C -0.689 175.276 175.900 0.108 0.000 1.123 586 Y CA -0.814 57.364 58.100 0.130 0.000 1.046 586 Y CB 1.351 39.877 38.460 0.109 0.000 1.299 586 Y HN 1.265 nan 8.280 nan 0.000 0.464 587 A N 1.551 124.458 122.820 0.145 0.000 2.589 587 A HA 0.835 5.143 4.320 -0.020 0.000 0.296 587 A C -1.177 176.490 177.584 0.138 0.000 1.062 587 A CA -0.076 51.988 52.037 0.045 0.000 0.686 587 A CB 1.192 20.215 19.000 0.038 0.000 1.282 587 A HN 1.846 nan 8.150 nan 0.000 0.404 588 S N 0.248 115.997 115.700 0.081 0.000 2.596 588 S HA 0.762 5.220 4.470 -0.020 0.000 0.270 588 S C -1.377 173.196 174.600 -0.044 0.000 1.155 588 S CA -0.595 57.591 58.200 -0.023 0.000 0.827 588 S CB 1.431 64.551 63.200 -0.133 0.000 1.130 588 S HN 1.932 nan 8.310 nan 0.000 0.467 589 Y N 1.423 121.546 120.300 -0.295 0.000 2.331 589 Y HA 0.630 5.169 4.550 -0.019 0.000 0.326 589 Y C -0.643 174.995 175.900 -0.437 0.000 1.020 589 Y CA 0.000 57.872 58.100 -0.381 0.000 1.136 589 Y CB 1.673 39.962 38.460 -0.285 0.000 1.157 589 Y HN 1.185 nan 8.280 nan 0.000 0.444 590 T N 1.847 115.892 114.554 -0.849 0.000 2.906 590 T HA 0.649 4.987 4.350 -0.020 0.000 0.295 590 T C -1.556 172.720 174.700 -0.707 0.000 1.075 590 T CA -0.713 60.982 62.100 -0.675 0.000 1.005 590 T CB 2.400 70.995 68.868 -0.455 0.000 1.136 590 T HN 0.642 nan 8.240 nan 0.000 0.498 591 D N -0.497 119.625 120.400 -0.463 0.000 2.552 591 D HA 0.783 5.412 4.640 -0.020 0.000 0.239 591 D C -1.413 174.744 176.300 -0.239 0.000 1.139 591 D CA -0.703 53.077 54.000 -0.367 0.000 0.914 591 D CB 2.111 42.725 40.800 -0.310 0.000 1.461 591 D HN 0.843 nan 8.370 nan 0.000 0.462 592 I N 1.483 121.946 120.570 -0.179 0.000 2.897 592 I HA 0.522 4.680 4.170 -0.020 0.000 0.299 592 I C -1.776 174.312 176.117 -0.048 0.000 1.527 592 I CA -0.804 60.398 61.300 -0.163 0.000 0.979 592 I CB 1.408 39.252 38.000 -0.260 0.000 1.360 592 I HN 0.518 nan 8.210 nan 0.000 0.495 593 F N 4.806 124.632 119.950 -0.207 0.000 2.662 593 F HA 0.876 5.391 4.527 -0.019 0.000 0.312 593 F C -1.491 174.164 175.800 -0.242 0.000 1.113 593 F CA -1.069 56.810 58.000 -0.200 0.000 0.951 593 F CB 1.681 40.580 39.000 -0.167 0.000 1.344 593 F HN 0.338 nan 8.300 nan 0.000 0.462 594 M N 3.286 122.788 119.600 -0.163 0.000 2.224 594 M HA 0.618 5.086 4.480 -0.020 0.000 0.281 594 M C -3.159 173.061 176.300 -0.134 0.000 1.025 594 M CA -2.780 52.333 55.300 -0.313 0.000 0.954 594 M CB 2.234 34.685 32.600 -0.249 0.000 1.639 594 M HN 0.348 nan 8.290 nan 0.000 0.461 595 P HA 0.250 nan 4.420 nan 0.000 0.271 595 P C -1.362 175.900 177.300 -0.062 0.000 1.218 595 P CA -0.227 62.825 63.100 -0.080 0.000 0.780 595 P CB 0.505 32.164 31.700 -0.067 0.000 0.901 596 Q N 1.615 121.399 119.800 -0.027 0.000 2.306 596 Q HA 0.122 4.450 4.340 -0.020 0.000 0.241 596 Q C -0.206 175.739 176.000 -0.091 0.000 0.948 596 Q CA -0.035 55.750 55.803 -0.029 0.000 0.886 596 Q CB 0.220 28.951 28.738 -0.011 0.000 1.227 596 Q HN 0.380 nan 8.270 nan 0.000 0.457 597 D N 0.568 120.821 120.400 -0.244 0.000 2.449 597 D HA -0.078 4.551 4.640 -0.020 0.000 0.236 597 D C 0.630 176.561 176.300 -0.615 0.000 1.149 597 D CA 0.507 54.097 54.000 -0.684 0.000 0.878 597 D CB 0.953 40.675 40.800 -1.797 0.000 1.198 597 D HN 0.714 nan 8.370 nan 0.000 0.446 598 S N 1.513 117.017 115.700 -0.327 0.000 2.547 598 S HA -0.133 4.325 4.470 -0.020 0.000 0.235 598 S C 1.438 176.053 174.600 0.025 0.000 0.980 598 S CA 0.091 58.259 58.200 -0.053 0.000 0.941 598 S CB -0.491 62.775 63.200 0.110 0.000 0.763 598 S HN 0.722 nan 8.310 nan 0.000 0.532 599 W N -0.632 120.604 121.300 -0.107 0.000 3.139 599 W HA 0.441 5.090 4.660 -0.018 0.000 0.260 599 W C -0.250 176.240 176.519 -0.049 0.000 1.312 599 W CA -0.860 56.440 57.345 -0.074 0.000 1.606 599 W CB -0.594 28.815 29.460 -0.085 0.000 1.118 599 W HN 0.065 nan 8.180 nan 0.000 0.675 600 Y N 3.760 123.861 120.300 -0.330 0.000 2.724 600 Y HA 0.300 4.839 4.550 -0.019 0.000 0.354 600 Y C 0.811 176.670 175.900 -0.068 0.000 1.270 600 Y CA -1.087 56.781 58.100 -0.387 0.000 1.902 600 Y CB -1.013 37.101 38.460 -0.577 0.000 1.981 600 Y HN -0.021 nan 8.280 nan 0.000 0.428 601 R N 0.466 121.124 120.500 0.264 0.000 2.606 601 R HA 0.451 4.780 4.340 -0.020 0.000 0.249 601 R C -0.436 175.967 176.300 0.172 0.000 1.127 601 R CA -0.916 55.291 56.100 0.179 0.000 1.133 601 R CB 0.720 31.112 30.300 0.152 0.000 1.243 601 R HN 0.309 nan 8.270 nan 0.000 0.558 602 D N -1.602 118.830 120.400 0.053 0.000 2.553 602 D HA 0.183 4.812 4.640 -0.020 0.000 0.249 602 D C 0.400 176.598 176.300 -0.170 0.000 1.062 602 D CA -0.840 53.140 54.000 -0.033 0.000 1.085 602 D CB 0.688 41.473 40.800 -0.025 0.000 1.350 602 D HN 0.222 nan 8.370 nan 0.000 0.575 603 S N -0.733 114.784 115.700 -0.306 0.000 2.509 603 S HA -0.247 4.211 4.470 -0.020 0.000 0.285 603 S C 1.480 175.918 174.600 -0.271 0.000 1.185 603 S CA 2.280 60.210 58.200 -0.451 0.000 1.152 603 S CB -0.559 62.498 63.200 -0.237 0.000 1.088 603 S HN 0.566 nan 8.310 nan 0.000 0.446 604 S N 0.300 115.922 115.700 -0.130 0.000 2.557 604 S HA 0.255 4.713 4.470 -0.020 0.000 0.223 604 S C 0.600 175.185 174.600 -0.026 0.000 0.969 604 S CA 0.094 58.259 58.200 -0.058 0.000 0.927 604 S CB 0.197 63.379 63.200 -0.031 0.000 0.806 604 S HN 0.570 nan 8.310 nan 0.000 0.489 605 N N 1.517 120.200 118.700 -0.029 0.000 2.829 605 N HA -0.159 4.569 4.740 -0.020 0.000 0.250 605 N C -0.800 174.729 175.510 0.031 0.000 1.090 605 N CA 0.770 53.831 53.050 0.019 0.000 0.781 605 N CB -1.349 37.159 38.487 0.035 0.000 1.124 605 N HN 0.422 nan 8.380 nan 0.000 0.559 606 K N 0.397 120.808 120.400 0.018 0.000 2.156 606 K HA 0.385 4.693 4.320 -0.020 0.000 0.271 606 K C 0.039 176.661 176.600 0.037 0.000 0.995 606 K CA -0.865 55.437 56.287 0.026 0.000 0.890 606 K CB 1.312 33.820 32.500 0.013 0.000 1.073 606 K HN 0.174 nan 8.250 nan 0.000 0.454 607 L N 3.916 125.165 121.223 0.043 0.000 2.485 607 L HA 0.051 4.379 4.340 -0.020 0.000 0.275 607 L C -0.454 176.432 176.870 0.027 0.000 1.207 607 L CA 0.352 55.218 54.840 0.043 0.000 0.855 607 L CB 0.291 42.374 42.059 0.040 0.000 1.114 607 L HN 0.508 nan 8.230 nan 0.000 0.485 608 L N 3.693 124.929 121.223 0.022 0.000 2.452 608 L HA 0.119 4.447 4.340 -0.020 0.000 0.267 608 L C 0.668 177.532 176.870 -0.011 0.000 1.188 608 L CA -0.274 54.566 54.840 -0.001 0.000 0.821 608 L CB 0.566 42.609 42.059 -0.026 0.000 1.102 608 L HN 0.689 nan 8.230 nan 0.000 0.470 609 E N 2.489 122.678 120.200 -0.019 0.000 2.422 609 E HA 0.070 4.408 4.350 -0.020 0.000 0.260 609 E C -2.232 174.350 176.600 -0.030 0.000 1.108 609 E CA -1.088 55.296 56.400 -0.026 0.000 0.943 609 E CB 0.328 30.009 29.700 -0.033 0.000 0.961 609 E HN 0.304 nan 8.360 nan 0.000 0.443 610 P HA -0.088 nan 4.420 nan 0.000 0.267 610 P C -0.783 176.516 177.300 -0.002 0.000 1.200 610 P CA 0.182 63.286 63.100 0.005 0.000 0.772 610 P CB 0.424 32.170 31.700 0.077 0.000 0.855 611 D N 2.501 122.889 120.400 -0.019 0.000 2.382 611 D HA 0.043 4.671 4.640 -0.020 0.000 0.259 611 D C -0.205 176.088 176.300 -0.013 0.000 1.224 611 D CA 0.698 54.676 54.000 -0.037 0.000 0.894 611 D CB 0.252 41.010 40.800 -0.069 0.000 1.127 611 D HN 0.292 nan 8.370 nan 0.000 0.487 612 E N 1.125 121.318 120.200 -0.012 0.000 2.336 612 E HA 0.762 5.101 4.350 -0.020 0.000 0.267 612 E C -0.739 175.830 176.600 -0.051 0.000 0.906 612 E CA -1.084 55.316 56.400 -0.001 0.000 0.781 612 E CB 1.910 31.617 29.700 0.013 0.000 1.261 612 E HN 0.473 nan 8.360 nan 0.000 0.436 613 G N 1.248 109.995 108.800 -0.089 0.000 2.632 613 G HA2 0.418 4.366 3.960 -0.020 0.000 0.292 613 G HA3 0.418 4.366 3.960 -0.020 0.000 0.292 613 G C -1.820 172.980 174.900 -0.167 0.000 1.465 613 G CA -0.647 44.389 45.100 -0.107 0.000 0.824 613 G HN 0.296 nan 8.290 nan 0.000 0.509 614 Q N -0.122 119.595 119.800 -0.138 0.000 2.353 614 Q HA 0.510 4.838 4.340 -0.020 0.000 0.268 614 Q C -0.466 175.352 176.000 -0.303 0.000 1.045 614 Q CA -0.776 54.814 55.803 -0.355 0.000 0.811 614 Q CB 2.347 30.823 28.738 -0.437 0.000 1.305 614 Q HN 0.609 nan 8.270 nan 0.000 0.447 615 N N 1.072 119.509 118.700 -0.437 0.000 2.425 615 N HA 0.372 5.100 4.740 -0.020 0.000 0.268 615 N C -1.714 173.586 175.510 -0.350 0.000 0.991 615 N CA -0.271 52.631 53.050 -0.247 0.000 0.931 615 N CB 0.592 38.942 38.487 -0.228 0.000 1.130 615 N HN 0.407 nan 8.380 nan 0.000 0.493 616 Y N 1.422 121.707 120.300 -0.025 0.000 2.331 616 Y HA 0.371 4.910 4.550 -0.020 0.000 0.338 616 Y C 0.061 175.993 175.900 0.053 0.000 0.976 616 Y CA -0.702 57.410 58.100 0.020 0.000 1.137 616 Y CB 1.399 39.872 38.460 0.022 0.000 1.172 616 Y HN 0.491 nan 8.280 nan 0.000 0.478 617 E N 4.012 124.313 120.200 0.168 0.000 2.292 617 E HA 0.638 4.977 4.350 -0.020 0.000 0.272 617 E C -1.831 174.796 176.600 0.045 0.000 0.881 617 E CA -0.722 55.763 56.400 0.141 0.000 0.754 617 E CB 2.106 31.897 29.700 0.151 0.000 1.201 617 E HN 0.717 nan 8.360 nan 0.000 0.425 618 I N 2.927 123.493 120.570 -0.005 0.000 2.730 618 I HA 0.857 5.015 4.170 -0.020 0.000 0.298 618 I C -0.697 175.211 176.117 -0.347 0.000 1.089 618 I CA -0.407 60.766 61.300 -0.210 0.000 1.041 618 I CB 1.888 39.858 38.000 -0.050 0.000 1.235 618 I HN 0.695 nan 8.210 nan 0.000 0.423 619 G N 6.203 114.581 108.800 -0.703 0.000 2.495 619 G HA2 0.468 4.416 3.960 -0.020 0.000 0.294 619 G HA3 0.468 4.416 3.960 -0.020 0.000 0.294 619 G C -2.312 172.509 174.900 -0.131 0.000 1.397 619 G CA -0.569 44.280 45.100 -0.418 0.000 0.790 619 G HN 0.705 nan 8.290 nan 0.000 0.486 620 I N -0.346 120.325 120.570 0.167 0.000 2.582 620 I HA 0.680 4.838 4.170 -0.020 0.000 0.292 620 I C -1.205 175.110 176.117 0.331 0.000 1.066 620 I CA -0.975 60.471 61.300 0.243 0.000 1.053 620 I CB 2.024 40.090 38.000 0.111 0.000 1.241 620 I HN 0.411 nan 8.210 nan 0.000 0.421 621 K N 4.915 125.514 120.400 0.333 0.000 2.371 621 K HA 0.685 4.993 4.320 -0.020 0.000 0.251 621 K C -0.663 176.069 176.600 0.219 0.000 0.934 621 K CA -0.779 55.655 56.287 0.245 0.000 0.798 621 K CB 2.293 34.877 32.500 0.140 0.000 1.204 621 K HN 0.768 nan 8.250 nan 0.000 0.427 622 G N 1.064 109.945 108.800 0.135 0.000 2.481 622 G HA2 0.437 4.385 3.960 -0.020 0.000 0.315 622 G HA3 0.437 4.385 3.960 -0.020 0.000 0.315 622 G C -1.438 173.222 174.900 -0.400 0.000 1.231 622 G CA -0.272 44.668 45.100 -0.266 0.000 0.968 622 G HN 0.538 nan 8.290 nan 0.000 0.482 623 E N 0.241 119.975 120.200 -0.777 0.000 2.260 623 E HA 0.515 4.853 4.350 -0.020 0.000 0.266 623 E C -1.488 174.757 176.600 -0.592 0.000 0.887 623 E CA -0.572 55.556 56.400 -0.453 0.000 0.777 623 E CB 1.648 31.202 29.700 -0.244 0.000 1.205 623 E HN 0.454 nan 8.360 nan 0.000 0.414 624 Y N 2.076 122.317 120.300 -0.099 0.000 2.633 624 Y HA 0.414 4.952 4.550 -0.020 0.000 0.339 624 Y C 0.528 176.396 175.900 -0.053 0.000 1.045 624 Y CA -1.264 56.782 58.100 -0.089 0.000 1.098 624 Y CB 1.053 39.461 38.460 -0.086 0.000 1.296 624 Y HN 0.502 nan 8.280 nan 0.000 0.494 625 L N 1.447 122.748 121.223 0.130 0.000 3.678 625 L HA -0.306 4.023 4.340 -0.020 0.000 0.425 625 L C -0.175 176.724 176.870 0.049 0.000 1.240 625 L CA 1.122 56.007 54.840 0.074 0.000 0.876 625 L CB -1.346 40.754 42.059 0.069 0.000 1.766 625 L HN 0.903 nan 8.230 nan 0.000 0.917 626 D N 0.213 120.629 120.400 0.026 0.000 2.723 626 D HA -0.160 4.469 4.640 -0.020 0.000 0.236 626 D C 1.212 177.520 176.300 0.014 0.000 1.138 626 D CA 2.022 56.029 54.000 0.011 0.000 0.676 626 D CB -0.954 39.859 40.800 0.021 0.000 1.069 626 D HN 1.027 nan 8.370 nan 0.000 0.430 627 G N -0.459 108.349 108.800 0.013 0.000 2.176 627 G HA2 -0.418 3.530 3.960 -0.020 0.000 0.253 627 G HA3 -0.418 3.530 3.960 -0.020 0.000 0.253 627 G C 1.074 175.998 174.900 0.041 0.000 0.979 627 G CA 0.650 45.761 45.100 0.019 0.000 0.641 627 G HN 0.559 nan 8.290 nan 0.000 0.530 628 R N -1.034 119.496 120.500 0.050 0.000 2.276 628 R HA 0.414 4.743 4.340 -0.020 0.000 0.203 628 R C 0.660 176.993 176.300 0.055 0.000 1.017 628 R CA 1.053 57.184 56.100 0.050 0.000 1.010 628 R CB 0.078 30.404 30.300 0.044 0.000 0.900 628 R HN 0.489 nan 8.270 nan 0.000 0.469 629 L N -0.040 121.237 121.223 0.089 0.000 2.464 629 L HA 0.383 4.711 4.340 -0.020 0.000 0.266 629 L C -1.772 175.221 176.870 0.204 0.000 0.965 629 L CA -0.504 54.401 54.840 0.109 0.000 0.833 629 L CB 2.211 44.296 42.059 0.044 0.000 1.296 629 L HN -0.107 nan 8.230 nan 0.000 0.405 630 N N 1.587 120.379 118.700 0.154 0.000 2.321 630 N HA 0.833 5.562 4.740 -0.020 0.000 0.299 630 N C -1.328 174.298 175.510 0.193 0.000 1.048 630 N CA -0.594 52.550 53.050 0.156 0.000 0.836 630 N CB 2.096 40.632 38.487 0.083 0.000 1.269 630 N HN 0.719 nan 8.380 nan 0.000 0.486 631 T N -1.695 113.011 114.554 0.254 0.000 2.893 631 T HA 0.811 5.149 4.350 -0.020 0.000 0.291 631 T C -0.643 174.186 174.700 0.216 0.000 1.028 631 T CA -0.857 61.392 62.100 0.248 0.000 0.995 631 T CB 1.471 70.553 68.868 0.357 0.000 1.051 631 T HN 0.432 nan 8.240 nan 0.000 0.470 632 S N 1.528 117.346 115.700 0.197 0.000 2.541 632 S HA 0.753 5.212 4.470 -0.020 0.000 0.271 632 S C -1.685 173.043 174.600 0.213 0.000 1.133 632 S CA -0.965 57.361 58.200 0.209 0.000 0.876 632 S CB 1.837 65.141 63.200 0.172 0.000 1.105 632 S HN 1.168 nan 8.310 nan 0.000 0.470 633 L N 1.813 123.176 121.223 0.232 0.000 2.470 633 L HA 0.937 5.266 4.340 -0.020 0.000 0.268 633 L C -0.841 176.172 176.870 0.239 0.000 0.964 633 L CA -0.246 54.721 54.840 0.212 0.000 0.839 633 L CB 1.401 43.543 42.059 0.138 0.000 1.276 633 L HN 1.301 nan 8.230 nan 0.000 0.403 634 A N 3.950 126.943 122.820 0.288 0.000 2.435 634 A HA 0.727 5.035 4.320 -0.020 0.000 0.304 634 A C -2.167 175.634 177.584 0.362 0.000 1.064 634 A CA -0.481 51.742 52.037 0.309 0.000 0.727 634 A CB 1.241 20.475 19.000 0.390 0.000 1.284 634 A HN 0.765 nan 8.150 nan 0.000 0.415 635 Y N 1.783 122.178 120.300 0.159 0.000 2.429 635 Y HA 0.737 5.276 4.550 -0.019 0.000 0.342 635 Y C -1.149 174.839 175.900 0.147 0.000 1.004 635 Y CA -1.446 56.707 58.100 0.087 0.000 1.075 635 Y CB 1.497 39.966 38.460 0.014 0.000 1.214 635 Y HN 0.878 nan 8.280 nan 0.000 0.455 636 F N 2.004 121.514 119.950 -0.734 0.000 2.665 636 F HA 0.684 5.199 4.527 -0.019 0.000 0.308 636 F C -1.775 173.729 175.800 -0.493 0.000 1.112 636 F CA -1.185 56.567 58.000 -0.415 0.000 0.972 636 F CB 1.636 40.544 39.000 -0.152 0.000 1.295 636 F HN 0.476 nan 8.300 nan 0.000 0.440 637 E N 2.722 122.969 120.200 0.078 0.000 2.275 637 E HA 0.618 4.956 4.350 -0.020 0.000 0.270 637 E C -1.660 175.171 176.600 0.386 0.000 0.882 637 E CA -0.793 55.713 56.400 0.176 0.000 0.758 637 E CB 2.614 32.430 29.700 0.194 0.000 1.195 637 E HN 0.742 nan 8.360 nan 0.000 0.419 638 I N 3.746 124.545 120.570 0.383 0.000 2.330 638 I HA 0.224 4.382 4.170 -0.020 0.000 0.289 638 I C -0.380 175.990 176.117 0.422 0.000 1.001 638 I CA -0.438 61.062 61.300 0.334 0.000 1.193 638 I CB 0.914 39.070 38.000 0.260 0.000 1.345 638 I HN 0.406 nan 8.210 nan 0.000 0.461 639 H N 6.097 125.288 119.070 0.202 0.000 2.594 639 H HA 0.285 4.829 4.556 -0.020 0.000 0.304 639 H C -0.551 174.843 175.328 0.110 0.000 1.068 639 H CA -0.516 55.636 56.048 0.173 0.000 1.308 639 H CB 1.543 31.443 29.762 0.231 0.000 1.409 639 H HN 0.557 nan 8.280 nan 0.000 0.460 640 E N 3.837 124.156 120.200 0.198 0.000 2.202 640 E HA 0.121 4.459 4.350 -0.020 0.000 0.272 640 E C -0.744 175.913 176.600 0.094 0.000 0.951 640 E CA -0.888 55.588 56.400 0.126 0.000 0.813 640 E CB 1.126 30.943 29.700 0.195 0.000 1.151 640 E HN 0.655 nan 8.360 nan 0.000 0.398 641 E N 3.485 123.719 120.200 0.057 0.000 2.343 641 E HA 0.268 4.606 4.350 -0.020 0.000 0.270 641 E C -0.633 175.973 176.600 0.011 0.000 0.895 641 E CA -0.947 55.476 56.400 0.039 0.000 0.767 641 E CB 0.929 30.658 29.700 0.049 0.000 1.248 641 E HN 0.660 nan 8.360 nan 0.000 0.440 642 N N 0.670 119.368 118.700 -0.002 0.000 2.754 642 N HA -0.209 4.519 4.740 -0.020 0.000 0.248 642 N C -0.335 175.144 175.510 -0.052 0.000 1.093 642 N CA 0.935 53.969 53.050 -0.028 0.000 0.699 642 N CB -1.093 37.374 38.487 -0.033 0.000 1.016 642 N HN 0.705 nan 8.380 nan 0.000 0.552 643 R N 0.668 121.150 120.500 -0.030 0.000 2.370 643 R HA 0.435 4.763 4.340 -0.020 0.000 0.309 643 R C 0.398 176.635 176.300 -0.106 0.000 1.059 643 R CA 0.061 56.132 56.100 -0.047 0.000 0.981 643 R CB 0.455 30.767 30.300 0.019 0.000 0.972 643 R HN 0.188 nan 8.270 nan 0.000 0.437 644 A N 4.399 127.070 122.820 -0.249 0.000 2.511 644 A HA 0.065 4.373 4.320 -0.020 0.000 0.242 644 A C -0.235 177.289 177.584 -0.099 0.000 1.069 644 A CA 0.273 52.094 52.037 -0.359 0.000 0.763 644 A CB 0.317 18.654 19.000 -1.104 0.000 1.001 644 A HN 0.847 nan 8.150 nan 0.000 0.498 645 E N 1.792 122.039 120.200 0.079 0.000 2.343 645 E HA 0.086 4.424 4.350 -0.020 0.000 0.260 645 E C 0.562 177.251 176.600 0.148 0.000 0.908 645 E CA -0.396 56.085 56.400 0.134 0.000 0.814 645 E CB 1.032 30.758 29.700 0.042 0.000 1.302 645 E HN 0.964 nan 8.360 nan 0.000 0.408 646 E N 2.545 122.828 120.200 0.138 0.000 2.782 646 E HA -0.390 3.949 4.350 -0.020 0.000 0.241 646 E C -0.301 176.075 176.600 -0.373 0.000 0.998 646 E CA 2.528 58.767 56.400 -0.268 0.000 1.535 646 E CB -0.097 29.561 29.700 -0.071 0.000 1.442 646 E HN 0.776 nan 8.360 nan 0.000 0.461 647 D N -2.006 118.296 120.400 -0.163 0.000 3.360 647 D HA -0.119 4.509 4.640 -0.020 0.000 0.253 647 D C 0.246 176.481 176.300 -0.109 0.000 1.039 647 D CA 0.956 54.883 54.000 -0.121 0.000 0.980 647 D CB -1.165 39.563 40.800 -0.119 0.000 0.986 647 D HN 0.393 nan 8.370 nan 0.000 0.422 648 A N 2.290 125.069 122.820 -0.068 0.000 1.898 648 A HA -0.060 4.248 4.320 -0.020 0.000 0.216 648 A C 2.537 180.104 177.584 -0.030 0.000 1.181 648 A CA 1.303 53.310 52.037 -0.049 0.000 0.620 648 A CB -0.268 18.713 19.000 -0.032 0.000 0.819 648 A HN 0.533 nan 8.150 nan 0.000 0.442 649 L N -2.146 119.072 121.223 -0.008 0.000 2.056 649 L HA -0.160 4.168 4.340 -0.020 0.000 0.207 649 L C 2.560 179.438 176.870 0.013 0.000 1.078 649 L CA 1.643 56.484 54.840 0.002 0.000 0.749 649 L CB -0.463 41.604 42.059 0.013 0.000 0.901 649 L HN 0.610 nan 8.230 nan 0.000 0.433 650 Y N 1.327 121.587 120.300 -0.066 0.000 2.089 650 Y HA -0.273 4.265 4.550 -0.020 0.000 0.282 650 Y C 2.363 178.222 175.900 -0.069 0.000 1.139 650 Y CA 1.792 59.853 58.100 -0.065 0.000 1.123 650 Y CB -0.323 38.088 38.460 -0.081 0.000 0.980 650 Y HN 0.212 nan 8.280 nan 0.000 0.493 651 N N -0.147 118.520 118.700 -0.055 0.000 2.588 651 N HA -0.143 4.585 4.740 -0.020 0.000 0.190 651 N C 1.581 177.028 175.510 -0.105 0.000 1.094 651 N CA 1.273 54.258 53.050 -0.110 0.000 0.921 651 N CB -0.358 38.038 38.487 -0.153 0.000 0.959 651 N HN 0.284 nan 8.380 nan 0.000 0.448 652 S N -0.294 115.333 115.700 -0.122 0.000 2.527 652 S HA 0.065 4.523 4.470 -0.020 0.000 0.222 652 S C 0.631 175.157 174.600 -0.123 0.000 0.985 652 S CA 0.294 58.440 58.200 -0.091 0.000 0.921 652 S CB 0.358 63.520 63.200 -0.064 0.000 0.772 652 S HN 0.316 nan 8.310 nan 0.000 0.529 653 K N 1.268 121.537 120.400 -0.219 0.000 2.556 653 K HA 0.178 4.486 4.320 -0.020 0.000 0.322 653 K C -3.341 173.016 176.600 -0.405 0.000 1.420 653 K CA -0.994 55.163 56.287 -0.217 0.000 1.044 653 K CB 0.742 33.161 32.500 -0.136 0.000 1.427 653 K HN -0.149 nan 8.250 nan 0.000 0.509 654 P HA -0.011 nan 4.420 nan 0.000 0.263 654 P C -0.401 176.745 177.300 -0.256 0.000 1.175 654 P CA 0.319 63.064 63.100 -0.591 0.000 0.761 654 P CB 0.839 32.431 31.700 -0.179 0.000 0.794 655 T N -0.396 114.101 114.554 -0.095 0.000 3.186 655 T HA 0.098 4.437 4.350 -0.020 0.000 0.292 655 T C 0.181 174.982 174.700 0.168 0.000 0.915 655 T CA -0.027 62.102 62.100 0.048 0.000 0.902 655 T CB -0.149 68.742 68.868 0.038 0.000 1.192 655 T HN 0.242 nan 8.240 nan 0.000 0.563 656 N N 2.693 121.576 118.700 0.305 0.000 2.439 656 N HA 0.351 5.079 4.740 -0.020 0.000 0.249 656 N C -2.050 173.559 175.510 0.164 0.000 1.003 656 N CA -2.208 50.968 53.050 0.210 0.000 0.942 656 N CB 1.884 40.478 38.487 0.177 0.000 1.115 656 N HN -0.099 nan 8.380 nan 0.000 0.505 657 P HA -0.202 nan 4.420 nan 0.000 0.216 657 P C 0.793 178.147 177.300 0.090 0.000 1.153 657 P CA 1.388 64.537 63.100 0.082 0.000 0.858 657 P CB 0.237 31.974 31.700 0.061 0.000 0.789 658 A N -0.511 122.362 122.820 0.088 0.000 1.877 658 A HA -0.199 4.109 4.320 -0.020 0.000 0.218 658 A C 1.144 178.792 177.584 0.108 0.000 1.301 658 A CA 2.065 54.154 52.037 0.086 0.000 0.699 658 A CB -1.851 17.191 19.000 0.070 0.000 0.844 658 A HN 0.176 nan 8.150 nan 0.000 0.464 659 I N -4.680 115.968 120.570 0.129 0.000 3.210 659 I HA 0.592 4.750 4.170 -0.020 0.000 0.316 659 I C 1.006 177.267 176.117 0.241 0.000 1.067 659 I CA 0.211 61.609 61.300 0.162 0.000 1.047 659 I CB 1.309 39.383 38.000 0.124 0.000 1.352 659 I HN 0.076 nan 8.210 nan 0.000 0.565 660 T N -0.659 114.059 114.554 0.273 0.000 3.191 660 T HA 0.204 4.542 4.350 -0.020 0.000 0.285 660 T C -1.233 173.687 174.700 0.367 0.000 0.887 660 T CA 0.180 62.443 62.100 0.271 0.000 0.881 660 T CB 0.001 68.973 68.868 0.174 0.000 1.217 660 T HN 0.524 nan 8.240 nan 0.000 0.591 661 Y N 1.836 122.262 120.300 0.209 0.000 2.472 661 Y HA 0.615 5.154 4.550 -0.019 0.000 0.324 661 Y C -0.596 175.370 175.900 0.110 0.000 1.160 661 Y CA -1.103 57.081 58.100 0.142 0.000 1.381 661 Y CB 0.044 38.553 38.460 0.081 0.000 1.125 661 Y HN 0.163 nan 8.280 nan 0.000 0.541 662 A N 3.071 125.826 122.820 -0.109 0.000 2.286 662 A HA 0.739 5.048 4.320 -0.020 0.000 0.286 662 A C -1.431 175.983 177.584 -0.284 0.000 1.097 662 A CA -0.070 51.902 52.037 -0.109 0.000 0.821 662 A CB 0.576 19.378 19.000 -0.330 0.000 1.076 662 A HN 0.637 nan 8.150 nan 0.000 0.490 663 Y N -0.145 120.126 120.300 -0.048 0.000 2.772 663 Y HA 0.709 5.247 4.550 -0.020 0.000 0.324 663 Y C 0.360 176.222 175.900 -0.063 0.000 1.169 663 Y CA -0.652 57.426 58.100 -0.037 0.000 1.198 663 Y CB 1.420 39.917 38.460 0.060 0.000 1.402 663 Y HN 0.643 nan 8.280 nan 0.000 0.577 664 K N -0.110 120.369 120.400 0.133 0.000 2.550 664 K HA 0.552 4.860 4.320 -0.020 0.000 0.252 664 K C -1.241 175.372 176.600 0.022 0.000 0.943 664 K CA -0.589 55.719 56.287 0.036 0.000 0.806 664 K CB 1.645 34.148 32.500 0.005 0.000 1.289 664 K HN 0.883 nan 8.250 nan 0.000 0.435 665 G N 5.512 114.311 108.800 -0.002 0.000 2.356 665 G HA2 0.483 4.431 3.960 -0.020 0.000 0.312 665 G HA3 0.483 4.431 3.960 -0.020 0.000 0.312 665 G C -0.084 174.808 174.900 -0.014 0.000 1.096 665 G CA -0.655 44.432 45.100 -0.022 0.000 0.950 665 G HN 0.627 nan 8.290 nan 0.000 0.428 666 I N -1.262 119.300 120.570 -0.013 0.000 2.982 666 I HA 0.707 4.866 4.170 -0.020 0.000 0.312 666 I C -0.282 175.838 176.117 0.004 0.000 1.041 666 I CA -1.451 59.846 61.300 -0.004 0.000 1.053 666 I CB 2.144 40.141 38.000 -0.005 0.000 1.248 666 I HN 0.109 nan 8.210 nan 0.000 0.471 667 K N 1.820 122.224 120.400 0.007 0.000 2.098 667 K HA 0.795 5.103 4.320 -0.020 0.000 0.257 667 K C -0.716 175.892 176.600 0.013 0.000 0.999 667 K CA -0.708 55.589 56.287 0.016 0.000 0.924 667 K CB 1.684 34.190 32.500 0.011 0.000 1.028 667 K HN 0.839 nan 8.250 nan 0.000 0.466 668 A N 1.688 124.526 122.820 0.030 0.000 2.594 668 A HA 0.523 4.831 4.320 -0.020 0.000 0.295 668 A C -1.605 175.998 177.584 0.033 0.000 1.071 668 A CA -0.719 51.333 52.037 0.023 0.000 0.685 668 A CB 1.648 20.674 19.000 0.042 0.000 1.285 668 A HN 0.609 nan 8.150 nan 0.000 0.405 669 K N 0.685 121.080 120.400 -0.009 0.000 2.443 669 K HA 0.627 4.935 4.320 -0.020 0.000 0.252 669 K C -1.334 175.277 176.600 0.018 0.000 0.933 669 K CA -0.253 56.021 56.287 -0.021 0.000 0.792 669 K CB 2.066 34.477 32.500 -0.147 0.000 1.185 669 K HN 0.704 nan 8.250 nan 0.000 0.425 670 T N 3.753 118.374 114.554 0.111 0.000 2.771 670 T HA 0.364 4.702 4.350 -0.020 0.000 0.281 670 T C -0.850 173.897 174.700 0.079 0.000 0.982 670 T CA -0.559 61.599 62.100 0.097 0.000 0.978 670 T CB 0.929 69.932 68.868 0.224 0.000 0.930 670 T HN 0.376 nan 8.240 nan 0.000 0.447 671 K N 1.748 122.131 120.400 -0.029 0.000 2.270 671 K HA 0.784 5.092 4.320 -0.020 0.000 0.255 671 K C 0.068 176.476 176.600 -0.321 0.000 0.936 671 K CA -0.847 55.354 56.287 -0.143 0.000 0.809 671 K CB 2.262 34.770 32.500 0.012 0.000 1.131 671 K HN 0.816 nan 8.250 nan 0.000 0.427 672 G N 1.189 109.505 108.800 -0.808 0.000 2.321 672 G HA2 0.362 4.311 3.960 -0.020 0.000 0.296 672 G HA3 0.362 4.311 3.960 -0.020 0.000 0.296 672 G C -2.247 171.945 174.900 -1.179 0.000 1.287 672 G CA -0.748 43.889 45.100 -0.772 0.000 0.846 672 G HN 0.530 nan 8.290 nan 0.000 0.508 673 Y N -1.533 118.543 120.300 -0.373 0.000 2.655 673 Y HA 0.898 5.437 4.550 -0.019 0.000 0.336 673 Y C -0.845 175.228 175.900 0.289 0.000 1.154 673 Y CA -1.462 56.618 58.100 -0.033 0.000 1.055 673 Y CB 1.982 40.541 38.460 0.166 0.000 1.295 673 Y HN 0.815 nan 8.280 nan 0.000 0.465 674 E N 1.087 121.653 120.200 0.610 0.000 2.354 674 E HA 0.748 5.086 4.350 -0.020 0.000 0.283 674 E C -2.018 174.818 176.600 0.394 0.000 0.938 674 E CA -0.888 55.793 56.400 0.468 0.000 0.777 674 E CB 2.022 31.955 29.700 0.388 0.000 1.222 674 E HN 1.131 nan 8.360 nan 0.000 0.423 675 A N 3.957 126.989 122.820 0.354 0.000 2.371 675 A HA 0.765 5.074 4.320 -0.020 0.000 0.311 675 A C -1.096 176.613 177.584 0.209 0.000 1.068 675 A CA -0.582 51.612 52.037 0.262 0.000 0.744 675 A CB 1.241 20.383 19.000 0.237 0.000 1.239 675 A HN 0.623 nan 8.150 nan 0.000 0.435 676 E N 1.145 121.443 120.200 0.165 0.000 2.430 676 E HA 0.735 5.073 4.350 -0.020 0.000 0.279 676 E C -1.520 175.146 176.600 0.111 0.000 1.003 676 E CA -0.669 55.806 56.400 0.127 0.000 0.801 676 E CB 2.390 32.152 29.700 0.103 0.000 1.313 676 E HN 0.615 nan 8.360 nan 0.000 0.459 677 I N 0.851 121.472 120.570 0.085 0.000 2.787 677 I HA 0.432 4.590 4.170 -0.020 0.000 0.294 677 I C -1.955 174.198 176.117 0.060 0.000 1.365 677 I CA -0.186 61.153 61.300 0.065 0.000 1.029 677 I CB 1.965 39.977 38.000 0.021 0.000 1.313 677 I HN 0.813 nan 8.210 nan 0.000 0.431 678 S N 4.771 120.507 115.700 0.060 0.000 2.535 678 S HA 0.984 5.442 4.470 -0.020 0.000 0.272 678 S C -0.486 174.152 174.600 0.064 0.000 1.149 678 S CA 0.050 58.300 58.200 0.083 0.000 0.888 678 S CB 1.628 64.889 63.200 0.101 0.000 1.110 678 S HN 1.842 nan 8.310 nan 0.000 0.463 679 G N 1.562 110.399 108.800 0.061 0.000 2.297 679 G HA2 0.110 4.059 3.960 -0.020 0.000 0.209 679 G HA3 0.110 4.059 3.960 -0.020 0.000 0.209 679 G C -1.194 173.670 174.900 -0.059 0.000 1.267 679 G CA -0.300 44.811 45.100 0.019 0.000 1.127 679 G HN 1.079 nan 8.290 nan 0.000 0.498 680 E N 0.296 120.463 120.200 -0.055 0.000 2.167 680 E HA 0.544 4.882 4.350 -0.020 0.000 0.284 680 E C 0.920 177.437 176.600 -0.139 0.000 1.016 680 E CA -0.573 55.783 56.400 -0.073 0.000 0.817 680 E CB 0.712 30.401 29.700 -0.018 0.000 1.080 680 E HN 0.412 nan 8.360 nan 0.000 0.397 681 L N 3.224 124.307 121.223 -0.233 0.000 2.354 681 L HA 0.337 4.665 4.340 -0.020 0.000 0.212 681 L C 0.615 177.401 176.870 -0.141 0.000 1.091 681 L CA 0.438 55.058 54.840 -0.368 0.000 0.828 681 L CB 0.281 41.781 42.059 -0.933 0.000 0.973 681 L HN 0.582 nan 8.230 nan 0.000 0.461 682 A N -1.956 120.903 122.820 0.065 0.000 2.586 682 A HA 0.474 4.783 4.320 -0.020 0.000 0.290 682 A C -2.288 175.410 177.584 0.190 0.000 1.086 682 A CA -0.791 51.355 52.037 0.181 0.000 0.665 682 A CB 0.249 19.457 19.000 0.347 0.000 1.279 682 A HN -0.238 nan 8.150 nan 0.000 0.423 683 P HA -0.173 nan 4.420 nan 0.000 0.219 683 P C 1.150 178.504 177.300 0.090 0.000 1.161 683 P CA 2.652 65.811 63.100 0.099 0.000 0.909 683 P CB 0.199 31.943 31.700 0.073 0.000 0.793 684 G N -3.435 105.434 108.800 0.114 0.000 3.959 684 G HA2 0.151 4.099 3.960 -0.020 0.000 0.298 684 G HA3 0.151 4.099 3.960 -0.020 0.000 0.298 684 G C -1.160 173.825 174.900 0.142 0.000 1.211 684 G CA -0.148 44.942 45.100 -0.017 0.000 1.001 684 G HN 0.113 nan 8.290 nan 0.000 0.561 685 W N 1.615 122.934 121.300 0.031 0.000 2.499 685 W HA 0.572 5.220 4.660 -0.020 0.000 0.320 685 W C -0.965 175.526 176.519 -0.047 0.000 1.010 685 W CA -1.503 55.891 57.345 0.081 0.000 1.267 685 W CB 1.315 30.844 29.460 0.115 0.000 1.316 685 W HN -0.065 nan 8.180 nan 0.000 0.431 686 Q N 4.322 124.197 119.800 0.125 0.000 2.312 686 Q HA 0.646 4.974 4.340 -0.020 0.000 0.263 686 Q C -0.400 175.524 176.000 -0.126 0.000 0.995 686 Q CA -0.684 54.988 55.803 -0.218 0.000 0.853 686 Q CB 2.696 31.017 28.738 -0.695 0.000 1.300 686 Q HN 0.412 nan 8.270 nan 0.000 0.448 687 V N -0.632 119.240 119.914 -0.070 0.000 3.102 687 V HA 0.693 4.801 4.120 -0.020 0.000 0.312 687 V C -0.888 175.375 176.094 0.281 0.000 1.135 687 V CA -1.018 61.366 62.300 0.141 0.000 1.022 687 V CB 2.293 34.102 31.823 -0.023 0.000 1.056 687 V HN 0.757 nan 8.190 nan 0.000 0.436 688 Q N 0.805 120.794 119.800 0.314 0.000 2.285 688 Q HA 0.820 5.148 4.340 -0.020 0.000 0.269 688 Q C -1.131 174.953 176.000 0.140 0.000 1.030 688 Q CA -0.370 55.553 55.803 0.199 0.000 0.788 688 Q CB 2.165 31.007 28.738 0.172 0.000 1.266 688 Q HN 1.508 nan 8.270 nan 0.000 0.438 689 A N 1.991 124.867 122.820 0.092 0.000 2.606 689 A HA 0.988 5.296 4.320 -0.020 0.000 0.293 689 A C -1.089 176.545 177.584 0.084 0.000 1.082 689 A CA -0.099 51.980 52.037 0.071 0.000 0.685 689 A CB 2.044 21.073 19.000 0.048 0.000 1.284 689 A HN 0.798 nan 8.150 nan 0.000 0.408 690 G N -0.975 107.883 108.800 0.096 0.000 2.703 690 G HA2 0.573 4.522 3.960 -0.020 0.000 0.294 690 G HA3 0.573 4.522 3.960 -0.020 0.000 0.294 690 G C -2.185 172.827 174.900 0.188 0.000 1.451 690 G CA -0.366 44.810 45.100 0.126 0.000 0.869 690 G HN 1.259 nan 8.290 nan 0.000 0.516 691 Y N 0.609 120.966 120.300 0.095 0.000 2.406 691 Y HA 0.708 5.247 4.550 -0.019 0.000 0.340 691 Y C -0.487 175.494 175.900 0.136 0.000 0.975 691 Y CA -0.446 57.723 58.100 0.115 0.000 1.056 691 Y CB 2.580 41.123 38.460 0.138 0.000 1.210 691 Y HN 0.580 nan 8.280 nan 0.000 0.448 692 T N 4.823 119.185 114.554 -0.321 0.000 2.928 692 T HA 0.230 4.568 4.350 -0.020 0.000 0.296 692 T C -1.894 172.594 174.700 -0.354 0.000 1.000 692 T CA -0.594 61.413 62.100 -0.155 0.000 0.989 692 T CB 0.754 69.564 68.868 -0.096 0.000 1.005 692 T HN 0.668 nan 8.240 nan 0.000 0.442 693 H N 2.462 121.281 119.070 -0.418 0.000 2.469 693 H HA 0.716 5.261 4.556 -0.019 0.000 0.342 693 H C -0.562 174.545 175.328 -0.369 0.000 1.115 693 H CA -0.607 55.150 56.048 -0.484 0.000 1.204 693 H CB 0.868 30.159 29.762 -0.785 0.000 1.492 693 H HN 0.630 nan 8.280 nan 0.000 0.499 694 K N 3.839 123.728 120.400 -0.851 0.000 2.536 694 K HA 0.582 4.890 4.320 -0.020 0.000 0.269 694 K C -1.960 174.282 176.600 -0.596 0.000 0.965 694 K CA -0.733 55.197 56.287 -0.594 0.000 0.860 694 K CB 1.513 33.872 32.500 -0.236 0.000 1.423 694 K HN 0.517 nan 8.250 nan 0.000 0.438 695 I N 2.129 122.490 120.570 -0.349 0.000 2.610 695 I HA 0.414 4.572 4.170 -0.020 0.000 0.289 695 I C -1.293 174.728 176.117 -0.160 0.000 1.163 695 I CA -0.919 60.246 61.300 -0.224 0.000 1.044 695 I CB 2.049 39.978 38.000 -0.119 0.000 1.251 695 I HN 0.733 nan 8.210 nan 0.000 0.424 696 I N 6.312 126.772 120.570 -0.183 0.000 2.406 696 I HA 0.536 4.695 4.170 -0.020 0.000 0.290 696 I C -0.775 175.260 176.117 -0.138 0.000 0.999 696 I CA -0.333 60.866 61.300 -0.168 0.000 1.124 696 I CB 0.820 38.656 38.000 -0.274 0.000 1.289 696 I HN 0.619 nan 8.210 nan 0.000 0.441 697 R N 4.944 125.388 120.500 -0.092 0.000 2.778 697 R HA 0.456 4.784 4.340 -0.020 0.000 0.277 697 R C -1.249 175.014 176.300 -0.061 0.000 0.977 697 R CA -0.842 55.217 56.100 -0.067 0.000 0.950 697 R CB 1.656 31.931 30.300 -0.043 0.000 1.165 697 R HN 0.650 nan 8.270 nan 0.000 0.474 698 D N -0.612 119.758 120.400 -0.050 0.000 2.442 698 D HA 0.082 4.710 4.640 -0.020 0.000 0.254 698 D C 0.001 176.285 176.300 -0.028 0.000 1.069 698 D CA -0.683 53.296 54.000 -0.035 0.000 1.017 698 D CB 0.624 41.405 40.800 -0.032 0.000 1.172 698 D HN 0.266 nan 8.370 nan 0.000 0.561 699 D N -1.048 119.340 120.400 -0.021 0.000 2.411 699 D HA -0.101 4.527 4.640 -0.020 0.000 0.226 699 D C 1.466 177.754 176.300 -0.019 0.000 0.988 699 D CA 0.994 54.983 54.000 -0.018 0.000 0.938 699 D CB -0.226 40.566 40.800 -0.012 0.000 0.883 699 D HN 0.413 nan 8.370 nan 0.000 0.525 700 S N -1.800 113.887 115.700 -0.022 0.000 2.528 700 S HA 0.196 4.654 4.470 -0.020 0.000 0.219 700 S C 1.872 176.460 174.600 -0.020 0.000 0.985 700 S CA 0.709 58.896 58.200 -0.022 0.000 0.914 700 S CB 0.446 63.629 63.200 -0.028 0.000 0.776 700 S HN 0.280 nan 8.310 nan 0.000 0.526 701 G N 1.925 110.713 108.800 -0.020 0.000 2.268 701 G HA2 -0.322 3.626 3.960 -0.020 0.000 0.240 701 G HA3 -0.322 3.626 3.960 -0.020 0.000 0.240 701 G C 0.043 174.936 174.900 -0.012 0.000 1.010 701 G CA 0.264 45.355 45.100 -0.016 0.000 0.618 701 G HN 0.959 nan 8.290 nan 0.000 0.516 702 K N 1.319 121.711 120.400 -0.014 0.000 2.218 702 K HA 0.615 4.924 4.320 -0.020 0.000 0.276 702 K C 0.223 176.819 176.600 -0.007 0.000 1.022 702 K CA -0.669 55.617 56.287 -0.002 0.000 0.946 702 K CB 1.215 33.710 32.500 -0.009 0.000 1.000 702 K HN 0.184 nan 8.250 nan 0.000 0.468 703 K N 1.396 121.809 120.400 0.022 0.000 2.414 703 K HA 0.102 4.410 4.320 -0.020 0.000 0.272 703 K C -0.447 176.117 176.600 -0.060 0.000 0.993 703 K CA -0.263 56.019 56.287 -0.008 0.000 0.964 703 K CB 1.011 33.554 32.500 0.071 0.000 0.925 703 K HN 0.364 nan 8.250 nan 0.000 0.487 704 V N 0.790 120.622 119.914 -0.137 0.000 3.160 704 V HA 0.114 4.222 4.120 -0.020 0.000 0.310 704 V C -0.555 175.381 176.094 -0.262 0.000 1.181 704 V CA -0.652 61.549 62.300 -0.164 0.000 1.047 704 V CB 2.158 33.903 31.823 -0.131 0.000 1.068 704 V HN 0.968 nan 8.190 nan 0.000 0.441 705 S N 0.881 116.437 115.700 -0.240 0.000 3.477 705 S HA -0.185 4.274 4.470 -0.020 0.000 0.371 705 S C 1.176 175.501 174.600 -0.457 0.000 0.965 705 S CA 1.102 59.108 58.200 -0.324 0.000 1.239 705 S CB -1.139 61.795 63.200 -0.443 0.000 0.918 705 S HN 1.273 nan 8.310 nan 0.000 0.498 706 T N -2.947 111.333 114.554 -0.456 0.000 3.160 706 T HA -0.019 4.319 4.350 -0.020 0.000 0.257 706 T C 1.051 175.352 174.700 -0.665 0.000 1.147 706 T CA 0.403 62.005 62.100 -0.829 0.000 1.064 706 T CB -0.264 67.870 68.868 -1.224 0.000 0.949 706 T HN 0.769 nan 8.240 nan 0.000 0.526 707 W N 1.571 122.565 121.300 -0.510 0.000 2.658 707 W HA 0.257 4.906 4.660 -0.019 0.000 0.263 707 W C 0.513 176.828 176.519 -0.340 0.000 1.274 707 W CA -0.175 56.995 57.345 -0.291 0.000 1.343 707 W CB 0.222 29.651 29.460 -0.052 0.000 1.106 707 W HN 0.305 nan 8.180 nan 0.000 0.615 708 E N 3.060 122.852 120.200 -0.680 0.000 2.180 708 E HA 0.088 4.426 4.350 -0.020 0.000 0.283 708 E C -2.085 174.159 176.600 -0.593 0.000 1.061 708 E CA -2.168 53.760 56.400 -0.786 0.000 0.861 708 E CB 0.901 29.907 29.700 -1.156 0.000 1.056 708 E HN -0.178 nan 8.360 nan 0.000 0.407 709 P HA -0.074 nan 4.420 nan 0.000 0.268 709 P C -0.146 176.923 177.300 -0.386 0.000 1.208 709 P CA 0.331 63.166 63.100 -0.442 0.000 0.777 709 P CB 0.703 32.108 31.700 -0.491 0.000 0.875 710 Q N -0.022 119.604 119.800 -0.290 0.000 2.435 710 Q HA 0.023 4.351 4.340 -0.020 0.000 0.207 710 Q C -0.123 175.716 176.000 -0.269 0.000 0.956 710 Q CA 0.971 56.607 55.803 -0.279 0.000 0.917 710 Q CB 0.183 28.837 28.738 -0.140 0.000 0.997 710 Q HN 0.533 nan 8.270 nan 0.000 0.497 711 D N 0.234 120.481 120.400 -0.255 0.000 2.990 711 D HA 0.156 4.785 4.640 -0.020 0.000 0.227 711 D C -0.979 175.084 176.300 -0.393 0.000 1.249 711 D CA -0.182 53.688 54.000 -0.215 0.000 0.891 711 D CB 1.738 42.606 40.800 0.113 0.000 1.647 711 D HN 0.065 nan 8.370 nan 0.000 0.530 712 Q N 0.668 120.190 119.800 -0.462 0.000 2.534 712 Q HA 0.744 5.073 4.340 -0.020 0.000 0.290 712 Q C -1.940 173.871 176.000 -0.315 0.000 0.991 712 Q CA -1.141 54.439 55.803 -0.372 0.000 0.783 712 Q CB 2.805 31.331 28.738 -0.353 0.000 1.470 712 Q HN 0.329 nan 8.270 nan 0.000 0.406 713 L N -0.009 121.167 121.223 -0.078 0.000 2.513 713 L HA 0.769 5.097 4.340 -0.020 0.000 0.261 713 L C -1.880 175.001 176.870 0.019 0.000 0.945 713 L CA 0.085 54.958 54.840 0.056 0.000 0.848 713 L CB 2.768 44.969 42.059 0.236 0.000 1.334 713 L HN 0.792 nan 8.230 nan 0.000 0.407 714 S N 4.720 120.431 115.700 0.017 0.000 2.548 714 S HA 0.848 5.306 4.470 -0.020 0.000 0.286 714 S C -1.310 173.245 174.600 -0.075 0.000 1.098 714 S CA -0.577 57.590 58.200 -0.054 0.000 0.930 714 S CB 1.856 65.075 63.200 0.031 0.000 1.070 714 S HN 0.853 nan 8.310 nan 0.000 0.480 715 L N 2.892 123.949 121.223 -0.276 0.000 2.482 715 L HA 0.625 4.953 4.340 -0.020 0.000 0.269 715 L C -2.236 174.329 176.870 -0.508 0.000 0.967 715 L CA -0.509 54.209 54.840 -0.204 0.000 0.851 715 L CB 0.933 42.950 42.059 -0.070 0.000 1.242 715 L HN 0.720 nan 8.230 nan 0.000 0.404 716 Y N 2.844 123.140 120.300 -0.005 0.000 2.409 716 Y HA 0.766 5.304 4.550 -0.019 0.000 0.343 716 Y C 0.256 176.333 175.900 0.294 0.000 0.973 716 Y CA -0.497 57.598 58.100 -0.007 0.000 1.064 716 Y CB 2.515 40.694 38.460 -0.467 0.000 1.207 716 Y HN 0.532 nan 8.280 nan 0.000 0.452 717 T N 1.544 116.487 114.554 0.649 0.000 2.853 717 T HA 0.724 5.063 4.350 -0.020 0.000 0.311 717 T C -1.470 173.615 174.700 0.641 0.000 1.307 717 T CA -0.598 61.864 62.100 0.603 0.000 1.019 717 T CB 0.942 70.093 68.868 0.472 0.000 1.264 717 T HN 0.766 nan 8.240 nan 0.000 0.497 718 S N 2.125 118.113 115.700 0.480 0.000 2.570 718 S HA 0.765 5.224 4.470 -0.020 0.000 0.270 718 S C -1.977 172.783 174.600 0.266 0.000 1.149 718 S CA -0.846 57.544 58.200 0.315 0.000 0.837 718 S CB 1.787 65.136 63.200 0.248 0.000 1.124 718 S HN 0.856 nan 8.310 nan 0.000 0.465 719 Y N 0.934 121.203 120.300 -0.051 0.000 2.457 719 Y HA 0.635 5.173 4.550 -0.020 0.000 0.343 719 Y C -0.995 174.763 175.900 -0.237 0.000 0.994 719 Y CA -0.873 57.090 58.100 -0.228 0.000 1.031 719 Y CB 1.710 39.839 38.460 -0.553 0.000 1.246 719 Y HN 0.796 nan 8.280 nan 0.000 0.449 720 K N 6.680 126.569 120.400 -0.852 0.000 2.316 720 K HA 0.272 4.580 4.320 -0.020 0.000 0.267 720 K C -1.037 174.983 176.600 -0.966 0.000 1.025 720 K CA -0.376 55.537 56.287 -0.623 0.000 0.896 720 K CB 0.252 32.549 32.500 -0.339 0.000 1.124 720 K HN 0.645 nan 8.250 nan 0.000 0.451 721 F N 1.937 121.550 119.950 -0.562 0.000 2.535 721 F HA 0.038 4.553 4.527 -0.020 0.000 0.332 721 F C 1.181 176.846 175.800 -0.225 0.000 1.208 721 F CA 0.412 58.200 58.000 -0.353 0.000 1.330 721 F CB 0.367 39.313 39.000 -0.090 0.000 1.167 721 F HN 0.362 nan 8.300 nan 0.000 0.597 722 K N -0.216 120.242 120.400 0.096 0.000 2.331 722 K HA 0.721 5.029 4.320 -0.020 0.000 0.238 722 K C 0.226 176.876 176.600 0.083 0.000 1.058 722 K CA 0.146 56.467 56.287 0.058 0.000 0.871 722 K CB 1.522 34.035 32.500 0.021 0.000 1.292 722 K HN 0.735 nan 8.250 nan 0.000 0.470 723 G N 0.380 109.207 108.800 0.046 0.000 2.527 723 G HA2 -0.320 3.628 3.960 -0.020 0.000 0.268 723 G HA3 -0.320 3.628 3.960 -0.020 0.000 0.268 723 G C 0.905 175.821 174.900 0.027 0.000 1.175 723 G CA 0.764 45.886 45.100 0.038 0.000 0.962 723 G HN 0.998 nan 8.290 nan 0.000 0.560 724 A N -0.395 122.439 122.820 0.023 0.000 1.986 724 A HA 0.141 4.450 4.320 -0.020 0.000 0.220 724 A C 2.175 179.766 177.584 0.012 0.000 1.171 724 A CA 2.504 54.548 52.037 0.013 0.000 0.640 724 A CB -0.630 18.372 19.000 0.003 0.000 0.811 724 A HN 1.431 nan 8.150 nan 0.000 0.451 725 L N -0.799 120.427 121.223 0.005 0.000 2.984 725 L HA 0.250 4.578 4.340 -0.020 0.000 0.246 725 L C 0.246 177.134 176.870 0.030 0.000 1.268 725 L CA 0.397 55.230 54.840 -0.011 0.000 1.054 725 L CB -0.564 41.389 42.059 -0.178 0.000 1.393 725 L HN 0.360 nan 8.230 nan 0.000 0.532 726 D N -0.704 119.702 120.400 0.009 0.000 2.371 726 D HA -0.124 4.504 4.640 -0.020 0.000 0.234 726 D C 1.363 177.610 176.300 -0.088 0.000 1.049 726 D CA 0.541 54.532 54.000 -0.015 0.000 0.907 726 D CB 0.239 41.026 40.800 -0.022 0.000 0.891 726 D HN 0.291 nan 8.370 nan 0.000 0.531 727 K N -0.792 119.502 120.400 -0.177 0.000 2.355 727 K HA 0.201 4.509 4.320 -0.020 0.000 0.198 727 K C -0.273 176.050 176.600 -0.462 0.000 1.039 727 K CA -0.480 55.568 56.287 -0.399 0.000 1.075 727 K CB 0.629 32.745 32.500 -0.640 0.000 0.870 727 K HN 0.117 nan 8.250 nan 0.000 0.540 728 L N 1.493 122.626 121.223 -0.151 0.000 2.264 728 L HA 0.267 4.596 4.340 -0.020 0.000 0.289 728 L C -0.900 176.066 176.870 0.160 0.000 1.044 728 L CA 0.352 55.246 54.840 0.091 0.000 0.807 728 L CB 1.447 43.624 42.059 0.198 0.000 1.192 728 L HN -0.130 nan 8.230 nan 0.000 0.425 729 T N 4.450 119.069 114.554 0.109 0.000 2.797 729 T HA 0.646 4.985 4.350 -0.020 0.000 0.279 729 T C -0.597 174.181 174.700 0.131 0.000 0.991 729 T CA -0.399 61.753 62.100 0.087 0.000 0.979 729 T CB 1.669 70.542 68.868 0.009 0.000 0.943 729 T HN 0.382 nan 8.240 nan 0.000 0.444 730 V N 1.750 121.759 119.914 0.158 0.000 2.864 730 V HA 0.988 5.096 4.120 -0.020 0.000 0.314 730 V C 0.255 176.422 176.094 0.121 0.000 1.073 730 V CA -0.275 62.128 62.300 0.173 0.000 0.956 730 V CB 2.208 34.224 31.823 0.322 0.000 1.023 730 V HN 1.129 nan 8.190 nan 0.000 0.435 731 G N 1.114 109.980 108.800 0.111 0.000 2.667 731 G HA2 0.713 4.661 3.960 -0.020 0.000 0.294 731 G HA3 0.713 4.661 3.960 -0.020 0.000 0.294 731 G C -0.850 174.174 174.900 0.205 0.000 1.467 731 G CA 0.106 45.297 45.100 0.152 0.000 0.852 731 G HN 1.200 nan 8.290 nan 0.000 0.521 732 G N -1.664 107.355 108.800 0.365 0.000 2.623 732 G HA2 1.020 4.968 3.960 -0.020 0.000 0.290 732 G HA3 1.020 4.968 3.960 -0.020 0.000 0.290 732 G C -0.496 174.680 174.900 0.460 0.000 1.437 732 G CA 0.224 45.542 45.100 0.363 0.000 0.798 732 G HN 1.879 nan 8.290 nan 0.000 0.488 733 G N -1.788 107.191 108.800 0.298 0.000 2.547 733 G HA2 0.875 4.823 3.960 -0.020 0.000 0.291 733 G HA3 0.875 4.823 3.960 -0.020 0.000 0.291 733 G C -1.314 173.489 174.900 -0.162 0.000 1.471 733 G CA 0.442 45.503 45.100 -0.066 0.000 0.798 733 G HN 1.959 nan 8.290 nan 0.000 0.504 734 A N 0.067 122.614 122.820 -0.454 0.000 2.520 734 A HA 0.929 5.238 4.320 -0.020 0.000 0.298 734 A C -0.887 176.599 177.584 -0.163 0.000 1.051 734 A CA -0.714 51.260 52.037 -0.105 0.000 0.690 734 A CB 2.401 21.454 19.000 0.088 0.000 1.281 734 A HN 1.393 nan 8.150 nan 0.000 0.402 735 R N 0.887 121.420 120.500 0.056 0.000 2.628 735 R HA 0.677 5.005 4.340 -0.020 0.000 0.288 735 R C -2.097 174.220 176.300 0.027 0.000 0.980 735 R CA -0.737 55.367 56.100 0.005 0.000 0.891 735 R CB 0.962 31.264 30.300 0.002 0.000 1.188 735 R HN 1.010 nan 8.270 nan 0.000 0.450 736 W N 5.480 126.554 121.300 -0.377 0.000 2.915 736 W HA 0.506 5.154 4.660 -0.019 0.000 0.337 736 W C -1.509 174.605 176.519 -0.675 0.000 1.102 736 W CA -0.452 56.431 57.345 -0.771 0.000 1.224 736 W CB 1.749 30.318 29.460 -1.485 0.000 1.416 736 W HN 0.744 nan 8.180 nan 0.000 0.503 737 Q N 4.474 123.262 119.800 -1.687 0.000 2.359 737 Q HA 0.701 5.029 4.340 -0.020 0.000 0.274 737 Q C 0.022 174.771 176.000 -2.085 0.000 1.074 737 Q CA -1.057 53.749 55.803 -1.661 0.000 0.810 737 Q CB 2.086 30.235 28.738 -0.981 0.000 1.342 737 Q HN 0.658 nan 8.270 nan 0.000 0.427 738 G N 1.824 109.571 108.800 -1.755 0.000 2.631 738 G HA2 0.162 4.111 3.960 -0.020 0.000 0.271 738 G HA3 0.162 4.111 3.960 -0.020 0.000 0.271 738 G C -0.579 174.057 174.900 -0.439 0.000 1.302 738 G CA -0.756 43.798 45.100 -0.910 0.000 1.002 738 G HN 0.539 nan 8.290 nan 0.000 0.519 739 K N -0.139 120.180 120.400 -0.135 0.000 2.524 739 K HA 0.261 4.569 4.320 -0.020 0.000 0.279 739 K C 0.436 177.093 176.600 0.095 0.000 0.993 739 K CA 0.548 56.859 56.287 0.040 0.000 1.030 739 K CB 0.505 33.084 32.500 0.132 0.000 0.891 739 K HN 0.588 nan 8.250 nan 0.000 0.488 740 S N 1.466 117.226 115.700 0.100 0.000 2.599 740 S HA 0.836 5.295 4.470 -0.020 0.000 0.287 740 S C -1.318 173.578 174.600 0.493 0.000 1.105 740 S CA -1.183 57.056 58.200 0.065 0.000 0.899 740 S CB 1.105 63.985 63.200 -0.534 0.000 1.100 740 S HN 0.774 nan 8.310 nan 0.000 0.482 741 W N -0.385 121.076 121.300 0.269 0.000 3.005 741 W HA 0.763 5.411 4.660 -0.019 0.000 0.343 741 W C -1.995 174.779 176.519 0.424 0.000 1.243 741 W CA -0.799 56.789 57.345 0.405 0.000 1.186 741 W CB 0.880 30.474 29.460 0.223 0.000 1.453 741 W HN 0.635 nan 8.180 nan 0.000 0.575 742 Q N 1.989 122.116 119.800 0.546 0.000 2.345 742 Q HA 0.348 4.676 4.340 -0.020 0.000 0.275 742 Q C -0.873 175.387 176.000 0.433 0.000 1.063 742 Q CA -1.121 54.873 55.803 0.319 0.000 0.819 742 Q CB 2.641 31.434 28.738 0.091 0.000 1.356 742 Q HN 0.496 nan 8.270 nan 0.000 0.418 743 M N 2.425 122.261 119.600 0.392 0.000 2.146 743 M HA 0.336 4.804 4.480 -0.020 0.000 0.352 743 M C 0.034 176.685 176.300 0.585 0.000 1.343 743 M CA -0.389 55.206 55.300 0.492 0.000 1.115 743 M CB 0.212 33.020 32.600 0.348 0.000 1.657 743 M HN 0.472 nan 8.290 nan 0.000 0.471 744 V N 3.664 123.929 119.914 0.584 0.000 2.876 744 V HA 0.590 4.698 4.120 -0.020 0.000 0.312 744 V C -1.878 174.275 176.094 0.099 0.000 1.085 744 V CA -0.886 61.607 62.300 0.323 0.000 0.945 744 V CB 2.441 34.310 31.823 0.078 0.000 1.017 744 V HN 0.739 nan 8.190 nan 0.000 0.428 745 Y N 4.216 124.207 120.300 -0.515 0.000 2.320 745 Y HA 0.539 5.077 4.550 -0.020 0.000 0.334 745 Y C 0.351 175.914 175.900 -0.562 0.000 1.055 745 Y CA -0.421 57.121 58.100 -0.929 0.000 1.143 745 Y CB 1.336 39.003 38.460 -1.322 0.000 1.193 745 Y HN 0.911 nan 8.280 nan 0.000 0.477 746 N N 5.453 123.438 118.700 -1.192 0.000 2.645 746 N HA -0.006 4.722 4.740 -0.020 0.000 0.233 746 N C 0.519 175.346 175.510 -1.138 0.000 1.058 746 N CA 0.096 52.343 53.050 -1.338 0.000 0.942 746 N CB 0.131 37.745 38.487 -1.457 0.000 1.210 746 N HN 0.948 nan 8.380 nan 0.000 0.512 747 N N 4.868 123.149 118.700 -0.697 0.000 2.036 747 N HA -0.075 4.653 4.740 -0.020 0.000 0.195 747 N C -1.164 174.133 175.510 -0.354 0.000 1.037 747 N CA 1.703 54.538 53.050 -0.359 0.000 0.855 747 N CB -0.648 37.746 38.487 -0.155 0.000 1.033 747 N HN 0.420 nan 8.380 nan 0.000 0.423 748 P HA -0.032 nan 4.420 nan 0.000 0.222 748 P C 0.653 177.786 177.300 -0.279 0.000 1.147 748 P CA 1.325 64.252 63.100 -0.288 0.000 0.790 748 P CB 0.080 31.614 31.700 -0.278 0.000 0.780 749 R N -2.037 118.235 120.500 -0.380 0.000 2.397 749 R HA 0.250 4.578 4.340 -0.020 0.000 0.241 749 R C 0.232 176.336 176.300 -0.328 0.000 0.914 749 R CA 0.110 56.018 56.100 -0.319 0.000 1.071 749 R CB 0.054 30.160 30.300 -0.324 0.000 1.116 749 R HN -0.107 nan 8.270 nan 0.000 0.524 750 S N 1.263 116.702 115.700 -0.434 0.000 3.706 750 S HA -0.188 4.270 4.470 -0.020 0.000 0.363 750 S C -0.411 173.981 174.600 -0.348 0.000 0.999 750 S CA 1.285 59.293 58.200 -0.320 0.000 1.143 750 S CB -1.143 62.009 63.200 -0.080 0.000 0.902 750 S HN 0.628 nan 8.310 nan 0.000 0.476 751 R N -1.680 118.369 120.500 -0.752 0.000 2.710 751 R HA 0.614 4.942 4.340 -0.020 0.000 0.270 751 R C -1.324 174.678 176.300 -0.497 0.000 1.021 751 R CA -1.147 54.738 56.100 -0.359 0.000 0.889 751 R CB 0.587 30.775 30.300 -0.186 0.000 1.243 751 R HN 0.139 nan 8.270 nan 0.000 0.464 752 W N 1.137 122.412 121.300 -0.040 0.000 2.303 752 W HA 0.398 5.047 4.660 -0.019 0.000 0.334 752 W C 0.046 176.588 176.519 0.039 0.000 1.197 752 W CA 0.048 57.434 57.345 0.068 0.000 1.262 752 W CB 1.194 30.751 29.460 0.161 0.000 1.153 752 W HN 0.452 nan 8.180 nan 0.000 0.596 753 E N 1.319 121.741 120.200 0.370 0.000 2.340 753 E HA 0.226 4.564 4.350 -0.020 0.000 0.273 753 E C -1.251 175.573 176.600 0.373 0.000 0.891 753 E CA -1.346 55.224 56.400 0.283 0.000 0.757 753 E CB 2.497 32.355 29.700 0.263 0.000 1.231 753 E HN 0.219 nan 8.360 nan 0.000 0.439 754 K N 2.304 122.829 120.400 0.208 0.000 2.201 754 K HA 0.355 4.663 4.320 -0.020 0.000 0.278 754 K C -1.398 175.308 176.600 0.177 0.000 1.027 754 K CA -0.304 56.131 56.287 0.246 0.000 0.909 754 K CB 0.508 33.068 32.500 0.100 0.000 1.062 754 K HN 0.274 nan 8.250 nan 0.000 0.465 755 F N 1.829 121.896 119.950 0.195 0.000 2.444 755 F HA 0.301 4.817 4.527 -0.019 0.000 0.342 755 F C -0.111 175.843 175.800 0.256 0.000 1.121 755 F CA -0.372 57.709 58.000 0.136 0.000 0.997 755 F CB 2.172 41.181 39.000 0.015 0.000 1.130 755 F HN 0.375 nan 8.300 nan 0.000 0.454 756 S N 2.178 118.076 115.700 0.330 0.000 2.475 756 S HA 0.410 4.868 4.470 -0.020 0.000 0.298 756 S C -0.796 174.029 174.600 0.374 0.000 1.119 756 S CA -0.704 57.713 58.200 0.362 0.000 1.085 756 S CB 1.627 64.945 63.200 0.197 0.000 1.028 756 S HN 0.479 nan 8.310 nan 0.000 0.489 757 Q N 2.736 122.785 119.800 0.414 0.000 2.431 757 Q HA 0.233 4.562 4.340 -0.020 0.000 0.249 757 Q C -0.172 175.968 176.000 0.233 0.000 1.025 757 Q CA -0.226 55.783 55.803 0.343 0.000 0.835 757 Q CB 0.271 29.196 28.738 0.312 0.000 1.207 757 Q HN 0.550 nan 8.270 nan 0.000 0.490 758 E N 2.176 122.505 120.200 0.215 0.000 2.485 758 E HA -0.072 4.266 4.350 -0.020 0.000 0.266 758 E C -0.289 176.415 176.600 0.173 0.000 1.090 758 E CA 0.474 56.976 56.400 0.169 0.000 0.987 758 E CB 0.492 30.290 29.700 0.165 0.000 0.974 758 E HN 0.801 nan 8.360 nan 0.000 0.455 759 D N 1.216 121.663 120.400 0.079 0.000 2.449 759 D HA -0.020 4.608 4.640 -0.020 0.000 0.236 759 D C -0.224 176.136 176.300 0.100 0.000 1.149 759 D CA 0.466 54.408 54.000 -0.097 0.000 0.878 759 D CB 0.202 40.958 40.800 -0.073 0.000 1.198 759 D HN 0.372 nan 8.370 nan 0.000 0.446 760 Y N -2.778 117.337 120.300 -0.307 0.000 2.656 760 Y HA 0.624 5.162 4.550 -0.020 0.000 0.334 760 Y C -1.840 173.976 175.900 -0.140 0.000 1.179 760 Y CA -1.801 56.242 58.100 -0.094 0.000 1.050 760 Y CB 0.647 39.069 38.460 -0.063 0.000 1.308 760 Y HN 0.345 nan 8.280 nan 0.000 0.456 761 W N 2.026 123.442 121.300 0.194 0.000 2.578 761 W HA 0.823 5.471 4.660 -0.020 0.000 0.346 761 W C -1.267 175.338 176.519 0.144 0.000 1.075 761 W CA -0.832 56.594 57.345 0.137 0.000 1.233 761 W CB 1.917 31.475 29.460 0.162 0.000 1.358 761 W HN 0.466 nan 8.180 nan 0.000 0.574 762 L N 2.491 123.926 121.223 0.354 0.000 2.408 762 L HA 0.702 5.030 4.340 -0.020 0.000 0.268 762 L C -0.879 176.168 176.870 0.295 0.000 0.986 762 L CA -1.272 53.742 54.840 0.291 0.000 0.820 762 L CB 1.781 43.948 42.059 0.181 0.000 1.303 762 L HN 0.029 nan 8.230 nan 0.000 0.411 763 V N 1.101 121.195 119.914 0.300 0.000 2.588 763 V HA 0.492 4.600 4.120 -0.020 0.000 0.304 763 V C -1.024 175.208 176.094 0.229 0.000 1.042 763 V CA -0.685 61.771 62.300 0.260 0.000 0.877 763 V CB 2.179 34.201 31.823 0.331 0.000 0.996 763 V HN 0.610 nan 8.190 nan 0.000 0.425 764 D N 3.423 123.981 120.400 0.263 0.000 2.269 764 D HA 0.820 5.448 4.640 -0.020 0.000 0.244 764 D C -0.632 175.832 176.300 0.273 0.000 0.992 764 D CA -0.226 53.961 54.000 0.312 0.000 0.894 764 D CB 2.459 43.572 40.800 0.522 0.000 1.248 764 D HN 0.309 nan 8.370 nan 0.000 0.468 765 L N 1.007 122.350 121.223 0.200 0.000 2.469 765 L HA 0.617 4.945 4.340 -0.020 0.000 0.256 765 L C -1.004 175.906 176.870 0.067 0.000 1.006 765 L CA -0.798 54.121 54.840 0.130 0.000 0.832 765 L CB 2.547 44.636 42.059 0.050 0.000 1.421 765 L HN 0.221 nan 8.230 nan 0.000 0.410 766 M N 2.275 121.888 119.600 0.021 0.000 2.449 766 M HA 0.775 5.243 4.480 -0.020 0.000 0.291 766 M C -2.409 173.873 176.300 -0.030 0.000 1.148 766 M CA -0.235 55.026 55.300 -0.066 0.000 0.925 766 M CB 2.193 34.663 32.600 -0.218 0.000 1.767 766 M HN 0.713 nan 8.290 nan 0.000 0.503 767 A N 3.921 126.721 122.820 -0.032 0.000 2.540 767 A HA 0.838 5.146 4.320 -0.020 0.000 0.297 767 A C -1.718 175.885 177.584 0.031 0.000 1.056 767 A CA -0.742 51.311 52.037 0.026 0.000 0.700 767 A CB 1.847 20.881 19.000 0.057 0.000 1.280 767 A HN 0.956 nan 8.150 nan 0.000 0.398 768 R N 1.066 121.604 120.500 0.062 0.000 2.686 768 R HA 0.668 4.996 4.340 -0.020 0.000 0.283 768 R C -2.235 174.152 176.300 0.144 0.000 0.978 768 R CA -0.504 55.641 56.100 0.076 0.000 0.897 768 R CB 1.576 31.889 30.300 0.021 0.000 1.192 768 R HN 0.806 nan 8.270 nan 0.000 0.457 769 Y N 2.083 122.392 120.300 0.015 0.000 2.361 769 Y HA 0.239 4.777 4.550 -0.020 0.000 0.337 769 Y C -0.802 175.104 175.900 0.011 0.000 0.965 769 Y CA -0.608 57.499 58.100 0.012 0.000 1.091 769 Y CB 2.069 40.533 38.460 0.007 0.000 1.182 769 Y HN 0.563 nan 8.280 nan 0.000 0.450 770 Q N 5.880 125.464 119.800 -0.359 0.000 2.566 770 Q HA 0.324 4.652 4.340 -0.020 0.000 0.221 770 Q C -0.043 175.838 176.000 -0.198 0.000 1.195 770 Q CA 0.312 55.996 55.803 -0.197 0.000 0.967 770 Q CB -0.165 28.460 28.738 -0.187 0.000 1.337 770 Q HN 0.888 nan 8.270 nan 0.000 0.553 771 I N -0.111 120.496 120.570 0.060 0.000 2.394 771 I HA -0.060 4.098 4.170 -0.020 0.000 0.251 771 I C 0.736 176.900 176.117 0.078 0.000 1.136 771 I CA 0.623 62.037 61.300 0.191 0.000 1.425 771 I CB 0.027 38.149 38.000 0.204 0.000 1.079 771 I HN 0.331 nan 8.210 nan 0.000 0.425 772 T N -0.549 114.029 114.554 0.040 0.000 2.903 772 T HA 0.151 4.489 4.350 -0.020 0.000 0.299 772 T C 0.136 174.853 174.700 0.028 0.000 1.093 772 T CA -0.613 61.506 62.100 0.032 0.000 1.002 772 T CB 2.066 70.954 68.868 0.033 0.000 1.127 772 T HN -0.051 nan 8.240 nan 0.000 0.488 773 D N 1.164 121.584 120.400 0.034 0.000 2.254 773 D HA -0.111 4.518 4.640 -0.020 0.000 0.201 773 D C 1.424 177.769 176.300 0.075 0.000 0.998 773 D CA 1.545 55.572 54.000 0.044 0.000 0.885 773 D CB 0.311 41.144 40.800 0.056 0.000 0.915 773 D HN 0.421 nan 8.370 nan 0.000 0.460 774 K N -1.184 119.280 120.400 0.107 0.000 2.412 774 K HA 0.236 4.544 4.320 -0.020 0.000 0.202 774 K C 0.223 176.948 176.600 0.208 0.000 1.102 774 K CA -0.178 56.229 56.287 0.199 0.000 1.027 774 K CB 1.709 34.374 32.500 0.274 0.000 0.931 774 K HN 0.021 nan 8.250 nan 0.000 0.557 775 L N 1.513 122.798 121.223 0.103 0.000 2.438 775 L HA 0.272 4.601 4.340 -0.020 0.000 0.270 775 L C -0.948 175.959 176.870 0.061 0.000 0.972 775 L CA -0.344 54.542 54.840 0.077 0.000 0.831 775 L CB 1.950 44.013 42.059 0.006 0.000 1.273 775 L HN 0.007 nan 8.230 nan 0.000 0.405 776 S N 3.373 119.113 115.700 0.066 0.000 2.638 776 S HA 0.989 5.447 4.470 -0.020 0.000 0.302 776 S C -0.735 173.913 174.600 0.079 0.000 1.096 776 S CA -0.448 57.790 58.200 0.063 0.000 0.953 776 S CB 2.143 65.362 63.200 0.032 0.000 1.107 776 S HN 0.863 nan 8.310 nan 0.000 0.503 777 A N 1.009 123.889 122.820 0.100 0.000 2.393 777 A HA 0.846 5.155 4.320 -0.020 0.000 0.306 777 A C -0.461 177.188 177.584 0.107 0.000 1.050 777 A CA -0.705 51.397 52.037 0.108 0.000 0.724 777 A CB 1.608 20.677 19.000 0.114 0.000 1.248 777 A HN 0.839 nan 8.150 nan 0.000 0.424 778 S N -0.257 115.501 115.700 0.096 0.000 2.599 778 S HA 0.771 5.229 4.470 -0.020 0.000 0.294 778 S C -1.082 173.547 174.600 0.049 0.000 1.094 778 S CA -0.631 57.602 58.200 0.054 0.000 0.931 778 S CB 1.862 65.067 63.200 0.009 0.000 1.093 778 S HN 1.569 nan 8.310 nan 0.000 0.488 779 V N 2.065 121.949 119.914 -0.049 0.000 2.760 779 V HA 0.627 4.735 4.120 -0.020 0.000 0.309 779 V C -1.820 174.131 176.094 -0.239 0.000 1.077 779 V CA -0.632 61.508 62.300 -0.266 0.000 0.910 779 V CB 1.944 33.574 31.823 -0.322 0.000 1.008 779 V HN 0.920 nan 8.190 nan 0.000 0.424 780 N N 3.923 122.444 118.700 -0.298 0.000 2.372 780 N HA 0.713 5.441 4.740 -0.020 0.000 0.285 780 N C -1.230 174.159 175.510 -0.201 0.000 1.008 780 N CA -0.368 52.575 53.050 -0.179 0.000 0.880 780 N CB 2.251 40.675 38.487 -0.106 0.000 1.239 780 N HN 0.534 nan 8.380 nan 0.000 0.484 781 V N 2.350 122.200 119.914 -0.107 0.000 2.448 781 V HA 0.494 4.602 4.120 -0.020 0.000 0.295 781 V C -0.523 175.583 176.094 0.020 0.000 1.025 781 V CA -0.887 61.362 62.300 -0.085 0.000 0.859 781 V CB 1.319 33.084 31.823 -0.098 0.000 0.988 781 V HN 0.635 nan 8.190 nan 0.000 0.431 782 N N 3.685 122.407 118.700 0.038 0.000 2.321 782 N HA 0.317 5.045 4.740 -0.020 0.000 0.299 782 N C -0.017 175.567 175.510 0.125 0.000 1.048 782 N CA -0.534 52.591 53.050 0.124 0.000 0.836 782 N CB 1.504 40.084 38.487 0.154 0.000 1.269 782 N HN 0.766 nan 8.380 nan 0.000 0.486 783 N N 0.938 119.742 118.700 0.174 0.000 2.696 783 N HA -0.158 4.571 4.740 -0.020 0.000 0.256 783 N C 0.538 176.110 175.510 0.104 0.000 1.031 783 N CA 0.203 53.366 53.050 0.188 0.000 0.730 783 N CB -1.078 37.545 38.487 0.228 0.000 0.894 783 N HN 0.378 nan 8.380 nan 0.000 0.544 784 V N 0.056 119.982 119.914 0.019 0.000 2.317 784 V HA -0.266 3.842 4.120 -0.020 0.000 0.251 784 V C 1.756 177.665 176.094 -0.309 0.000 1.065 784 V CA 2.339 64.516 62.300 -0.205 0.000 1.049 784 V CB -0.590 31.018 31.823 -0.359 0.000 0.651 784 V HN 0.497 nan 8.190 nan 0.000 0.450 785 F N -0.198 119.805 119.950 0.088 0.000 2.731 785 F HA 0.228 4.743 4.527 -0.020 0.000 0.304 785 F C 1.132 176.987 175.800 0.092 0.000 1.133 785 F CA 0.249 58.298 58.000 0.083 0.000 1.380 785 F CB -0.734 38.316 39.000 0.084 0.000 1.079 785 F HN 0.181 nan 8.300 nan 0.000 0.550 786 D N 1.534 122.042 120.400 0.180 0.000 2.702 786 D HA -0.290 4.339 4.640 -0.020 0.000 0.233 786 D C 0.333 176.739 176.300 0.177 0.000 1.164 786 D CA 0.460 54.549 54.000 0.148 0.000 0.638 786 D CB -0.797 40.062 40.800 0.098 0.000 1.041 786 D HN 0.211 nan 8.370 nan 0.000 0.422 787 K N 0.461 121.007 120.400 0.244 0.000 2.453 787 K HA 0.151 4.459 4.320 -0.020 0.000 0.280 787 K C -0.107 176.635 176.600 0.237 0.000 1.045 787 K CA 0.293 56.725 56.287 0.242 0.000 1.059 787 K CB 0.546 33.208 32.500 0.270 0.000 0.901 787 K HN 0.187 nan 8.250 nan 0.000 0.475 788 T N 4.688 119.324 114.554 0.136 0.000 2.771 788 T HA 0.506 4.844 4.350 -0.020 0.000 0.291 788 T C -0.975 173.763 174.700 0.063 0.000 0.954 788 T CA -0.322 61.798 62.100 0.033 0.000 1.045 788 T CB 0.090 68.902 68.868 -0.094 0.000 0.917 788 T HN 0.559 nan 8.240 nan 0.000 0.484 789 Y N 1.671 121.849 120.300 -0.203 0.000 2.725 789 Y HA 0.659 5.197 4.550 -0.019 0.000 0.333 789 Y C -2.298 173.421 175.900 -0.302 0.000 1.242 789 Y CA -2.043 55.858 58.100 -0.332 0.000 1.059 789 Y CB 0.717 38.762 38.460 -0.690 0.000 1.306 789 Y HN 0.553 nan 8.280 nan 0.000 0.454 790 Y N 0.367 120.732 120.300 0.108 0.000 2.360 790 Y HA 0.453 4.990 4.550 -0.020 0.000 0.337 790 Y C 1.191 177.292 175.900 0.335 0.000 1.039 790 Y CA -0.169 58.005 58.100 0.122 0.000 1.109 790 Y CB 2.349 40.927 38.460 0.197 0.000 1.201 790 Y HN 0.786 nan 8.280 nan 0.000 0.458 791 T N -2.273 112.502 114.554 0.369 0.000 3.060 791 T HA 0.159 4.497 4.350 -0.020 0.000 0.249 791 T C 0.040 175.072 174.700 0.553 0.000 1.079 791 T CA 0.103 62.490 62.100 0.477 0.000 1.013 791 T CB -0.220 68.814 68.868 0.276 0.000 0.975 791 T HN 0.496 nan 8.240 nan 0.000 0.518 792 N N 0.388 119.271 118.700 0.304 0.000 2.537 792 N HA 0.405 5.133 4.740 -0.020 0.000 0.281 792 N C -1.987 173.239 175.510 -0.474 0.000 1.097 792 N CA -0.737 52.197 53.050 -0.194 0.000 0.964 792 N CB 1.158 39.583 38.487 -0.103 0.000 1.588 792 N HN 0.304 nan 8.380 nan 0.000 0.511 793 I N 2.694 122.628 120.570 -1.061 0.000 2.500 793 I HA 0.602 4.761 4.170 -0.020 0.000 0.286 793 I C 0.921 176.584 176.117 -0.758 0.000 1.063 793 I CA -0.544 60.243 61.300 -0.854 0.000 1.062 793 I CB 1.871 39.426 38.000 -0.741 0.000 1.223 793 I HN 0.866 nan 8.210 nan 0.000 0.435 794 G N 4.930 113.392 108.800 -0.563 0.000 2.253 794 G HA2 -0.268 3.680 3.960 -0.020 0.000 0.209 794 G HA3 -0.268 3.680 3.960 -0.020 0.000 0.209 794 G C 0.088 174.895 174.900 -0.156 0.000 0.997 794 G CA -0.603 44.276 45.100 -0.368 0.000 0.640 794 G HN 0.493 nan 8.290 nan 0.000 0.496 795 F N 2.933 122.747 119.950 -0.226 0.000 2.506 795 F HA 0.487 5.002 4.527 -0.021 0.000 0.369 795 F C 1.094 176.974 175.800 0.133 0.000 1.114 795 F CA -0.171 57.832 58.000 0.005 0.000 1.121 795 F CB -0.728 38.343 39.000 0.119 0.000 1.104 795 F HN 0.337 nan 8.300 nan 0.000 0.564 796 Y N 3.529 123.511 120.300 -0.529 0.000 3.225 796 Y HA -0.334 4.205 4.550 -0.017 0.000 0.211 796 Y C 1.096 176.810 175.900 -0.310 0.000 1.223 796 Y CA 0.970 58.794 58.100 -0.460 0.000 1.284 796 Y CB -2.357 35.727 38.460 -0.627 0.000 1.367 796 Y HN 0.788 nan 8.280 nan 0.000 0.566 797 T N -1.496 112.945 114.554 -0.188 0.000 4.221 797 T HA -0.128 4.210 4.350 -0.020 0.000 0.343 797 T C 0.154 174.690 174.700 -0.274 0.000 0.755 797 T CA 0.823 62.797 62.100 -0.211 0.000 1.949 797 T CB -1.629 67.174 68.868 -0.108 0.000 1.874 797 T HN 1.119 nan 8.240 nan 0.000 0.890 798 S N -1.138 114.378 115.700 -0.308 0.000 2.740 798 S HA 0.953 5.411 4.470 -0.020 0.000 0.300 798 S C -0.695 173.576 174.600 -0.548 0.000 1.147 798 S CA -0.394 57.585 58.200 -0.369 0.000 0.871 798 S CB 2.644 65.744 63.200 -0.167 0.000 1.173 798 S HN 1.460 nan 8.310 nan 0.000 0.510 799 A N 0.460 122.813 122.820 -0.778 0.000 2.515 799 A HA 0.852 5.160 4.320 -0.020 0.000 0.298 799 A C -0.793 176.465 177.584 -0.543 0.000 1.059 799 A CA -0.732 50.814 52.037 -0.819 0.000 0.698 799 A CB 1.666 19.933 19.000 -1.222 0.000 1.289 799 A HN 0.982 nan 8.150 nan 0.000 0.404 800 S N 0.193 115.787 115.700 -0.177 0.000 2.538 800 S HA 0.654 5.113 4.470 -0.020 0.000 0.288 800 S C -1.368 173.303 174.600 0.119 0.000 1.108 800 S CA -0.324 57.906 58.200 0.049 0.000 0.971 800 S CB 0.839 64.083 63.200 0.073 0.000 1.041 800 S HN 0.492 nan 8.310 nan 0.000 0.483 801 Y N 1.299 121.729 120.300 0.216 0.000 2.307 801 Y HA 0.563 5.100 4.550 -0.020 0.000 0.324 801 Y C 1.212 177.000 175.900 -0.187 0.000 1.238 801 Y CA 0.023 58.082 58.100 -0.068 0.000 1.280 801 Y CB 0.648 39.089 38.460 -0.031 0.000 1.248 801 Y HN 0.826 nan 8.280 nan 0.000 0.508 802 G N 0.742 109.247 108.800 -0.493 0.000 2.528 802 G HA2 0.148 4.096 3.960 -0.020 0.000 0.289 802 G HA3 0.148 4.096 3.960 -0.020 0.000 0.289 802 G C -0.934 173.700 174.900 -0.443 0.000 1.192 802 G CA -0.783 43.990 45.100 -0.544 0.000 0.921 802 G HN 0.533 nan 8.290 nan 0.000 0.512 803 D N 1.337 121.646 120.400 -0.153 0.000 2.487 803 D HA 0.190 4.818 4.640 -0.020 0.000 0.243 803 D C -1.661 174.536 176.300 -0.172 0.000 1.154 803 D CA -0.278 53.590 54.000 -0.219 0.000 0.876 803 D CB 1.038 41.937 40.800 0.164 0.000 1.161 803 D HN 0.001 nan 8.370 nan 0.000 0.478 804 P HA 0.033 nan 4.420 nan 0.000 0.272 804 P C 0.206 177.614 177.300 0.179 0.000 1.254 804 P CA -0.456 62.610 63.100 -0.057 0.000 0.795 804 P CB 0.538 32.193 31.700 -0.074 0.000 1.022 805 R N 1.772 122.356 120.500 0.140 0.000 2.494 805 R HA -0.043 4.285 4.340 -0.020 0.000 0.291 805 R C -0.205 176.126 176.300 0.051 0.000 0.953 805 R CA 0.896 57.051 56.100 0.092 0.000 1.098 805 R CB -0.879 29.447 30.300 0.043 0.000 0.911 805 R HN 0.671 nan 8.270 nan 0.000 0.407 806 N N 2.498 121.184 118.700 -0.022 0.000 2.264 806 N HA 0.386 5.114 4.740 -0.020 0.000 0.288 806 N C -1.787 173.614 175.510 -0.183 0.000 1.094 806 N CA -0.909 52.006 53.050 -0.225 0.000 0.817 806 N CB 1.294 39.683 38.487 -0.163 0.000 1.604 806 N HN 0.144 nan 8.380 nan 0.000 0.473 807 L N 0.404 121.472 121.223 -0.258 0.000 2.322 807 L HA 0.730 5.058 4.340 -0.020 0.000 0.269 807 L C -0.448 176.259 176.870 -0.272 0.000 1.012 807 L CA -0.755 53.916 54.840 -0.283 0.000 0.815 807 L CB 1.611 43.467 42.059 -0.338 0.000 1.295 807 L HN 0.773 nan 8.230 nan 0.000 0.438 808 M N 1.850 121.240 119.600 -0.349 0.000 2.327 808 M HA 0.638 5.106 4.480 -0.020 0.000 0.298 808 M C -1.880 174.204 176.300 -0.359 0.000 1.065 808 M CA -0.140 55.024 55.300 -0.227 0.000 0.916 808 M CB 1.516 34.050 32.600 -0.111 0.000 1.630 808 M HN 0.268 nan 8.290 nan 0.000 0.442 809 F N 2.134 122.063 119.950 -0.036 0.000 2.520 809 F HA 0.798 5.313 4.527 -0.020 0.000 0.322 809 F C -0.230 175.572 175.800 0.004 0.000 1.103 809 F CA -0.313 57.677 58.000 -0.017 0.000 0.926 809 F CB 2.365 41.352 39.000 -0.022 0.000 1.154 809 F HN 0.602 nan 8.300 nan 0.000 0.453 810 S N 0.258 116.076 115.700 0.196 0.000 2.564 810 S HA 0.746 5.204 4.470 -0.020 0.000 0.274 810 S C -0.921 173.752 174.600 0.121 0.000 1.124 810 S CA -1.073 57.208 58.200 0.134 0.000 0.869 810 S CB 2.019 65.268 63.200 0.082 0.000 1.105 810 S HN 0.554 nan 8.310 nan 0.000 0.472 811 T N 0.158 114.780 114.554 0.114 0.000 2.912 811 T HA 0.767 5.105 4.350 -0.020 0.000 0.288 811 T C -0.630 174.138 174.700 0.112 0.000 1.030 811 T CA -0.970 61.192 62.100 0.104 0.000 1.020 811 T CB 1.709 70.635 68.868 0.097 0.000 1.056 811 T HN 0.641 nan 8.240 nan 0.000 0.480 812 R N 0.694 121.258 120.500 0.107 0.000 2.538 812 R HA 0.401 4.730 4.340 -0.020 0.000 0.292 812 R C -2.116 174.296 176.300 0.185 0.000 1.008 812 R CA -0.741 55.428 56.100 0.115 0.000 0.896 812 R CB 1.533 31.842 30.300 0.014 0.000 1.187 812 R HN 0.751 nan 8.270 nan 0.000 0.440 813 W N 6.248 127.537 121.300 -0.019 0.000 2.329 813 W HA 0.373 5.021 4.660 -0.020 0.000 0.312 813 W C -1.275 175.126 176.519 -0.197 0.000 1.054 813 W CA -1.159 56.156 57.345 -0.049 0.000 1.245 813 W CB 1.053 30.523 29.460 0.017 0.000 1.255 813 W HN 0.509 nan 8.180 nan 0.000 0.436 814 D N 7.016 127.459 120.400 0.071 0.000 2.317 814 D HA 0.139 4.768 4.640 -0.020 0.000 0.234 814 D C -0.001 176.177 176.300 -0.203 0.000 1.112 814 D CA -0.011 53.859 54.000 -0.217 0.000 0.840 814 D CB 0.859 41.629 40.800 -0.049 0.000 1.078 814 D HN 0.072 nan 8.370 nan 0.000 0.486 815 F N 0.000 119.852 119.950 -0.163 0.000 2.286 815 F HA 0.000 4.515 4.527 -0.020 0.000 0.279 815 F CA 0.000 57.987 58.000 -0.021 0.000 1.383 815 F CB 0.000 38.989 39.000 -0.018 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574