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 3fc4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIQKVITVNG IEQNLFVDAE ALLSDVLRQQ LGLTGVKVGC EQGQCGACSV DATA SEQUENCE ILDGKVVRAC VTKMKRVADG AQITTIEGVG QPENLHPLQK AWVLHGGAQC DATA SEQUENCE GFCSPGFIVS AKGLLDTNAD PSREDVRDWF QKHRNACRCT GYKPLVDAVM DATA SEQUENCE DAAAVINGKK PETDLEFKMP ADGRIWGSKY PRPTAVAKVT GTLDYGADLG DATA SEQUENCE LKMPAGTLHL AMVQAKVSHA NIKGIDTSEA LTMPGVHSVI THKDVKGKNR DATA SEQUENCE ITGLITFPTN KGDGWDRPIL CDEKVFQYGD CIALVCADSE ANARAAAEKV DATA SEQUENCE KVDLEELPAY MSGPAAAAED AIEIHPGTPN VYFEQPIVKG EDTGPIFASA DATA SEQUENCE DVTVEGDFYV GRQPHMPIEP DVAFAYMGDD GKCYIHSKSI GVHLHLYMIA DATA SEQUENCE PGVGLEPDQL VLVANPMGGT FGYKFSPTSE ALVAVAAMAT GRPVHLRYNY DATA SEQUENCE QQQQQYTGKR SPWEMNVKFA AKKDGTLLAM ESDWLVDHGP YSEFGDLLTL DATA SEQUENCE RGAQFIGAGY NIPNIRGLGR TVATNHVWGS AFRGYGAPQS MFASECLMDM DATA SEQUENCE LAEKLGMDPL ELRYKNAYRP GDTNPTGQEP EVFSLPDMID QLRPKYQAAL DATA SEQUENCE EKAQKESTAT HKKGVGISIG VYGSGLDGPD ASEAWAELNA DGTITVHTAW DATA SEQUENCE EDHGQGADIG CVGTAHEALR PMGVAPEKIK FTWPNTATTP NSGPSGGSRQ DATA SEQUENCE QVMTGNAIRV ACENLLKACE KPGGGYYTYD ELKAADKPTK ITGNWTASGA DATA SEQUENCE THCDAVTGLG KPFVVYMYGV FMAEVTVDVA TGQTTVDGMT LMADLGSLCN DATA SEQUENCE QLATDGQIYG GLAQGIGLAL SEDFEDIKKH ATLVGAGFPF IKQIPDKLDI DATA SEQUENCE VYVNHPRPDG PFGASGVGEL PLTSPHAAII NAIKSATGVR IYRLPAYPEK DATA SEQUENCE VLEALKA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.335 55.300 0.059 0.000 0.988 1 M CB 0.000 32.650 32.600 0.083 0.000 1.302 2 I N 0.153 120.756 120.570 0.054 0.000 2.730 2 I HA 0.538 4.704 4.170 -0.006 0.000 0.298 2 I C -1.186 174.909 176.117 -0.038 0.000 1.089 2 I CA -0.776 60.537 61.300 0.021 0.000 1.041 2 I CB 2.153 40.146 38.000 -0.012 0.000 1.235 2 I HN 0.879 nan 8.210 nan 0.000 0.423 3 Q N 4.325 124.064 119.800 -0.102 0.000 2.267 3 Q HA 0.401 4.738 4.340 -0.006 0.000 0.255 3 Q C -1.274 174.548 176.000 -0.296 0.000 0.923 3 Q CA -0.416 55.145 55.803 -0.404 0.000 0.925 3 Q CB 1.250 29.787 28.738 -0.335 0.000 1.195 3 Q HN 0.647 nan 8.270 nan 0.000 0.417 4 K N 3.268 123.454 120.400 -0.357 0.000 2.545 4 K HA 0.349 4.665 4.320 -0.006 0.000 0.252 4 K C -1.582 174.892 176.600 -0.211 0.000 0.948 4 K CA -0.597 55.563 56.287 -0.211 0.000 0.827 4 K CB 2.075 34.487 32.500 -0.147 0.000 1.128 4 K HN 0.413 nan 8.250 nan 0.000 0.429 5 V N 6.242 126.065 119.914 -0.152 0.000 2.348 5 V HA 0.405 4.522 4.120 -0.006 0.000 0.270 5 V C 0.170 176.218 176.094 -0.075 0.000 1.037 5 V CA -0.501 61.730 62.300 -0.114 0.000 0.872 5 V CB 0.134 31.905 31.823 -0.088 0.000 1.002 5 V HN 0.643 nan 8.190 nan 0.000 0.464 6 I N 1.711 122.241 120.570 -0.066 0.000 3.322 6 I HA 0.789 4.956 4.170 -0.006 0.000 0.313 6 I C -0.387 175.710 176.117 -0.033 0.000 1.129 6 I CA -0.668 60.605 61.300 -0.046 0.000 0.963 6 I CB 2.735 40.708 38.000 -0.046 0.000 1.273 6 I HN 0.306 nan 8.210 nan 0.000 0.473 7 T N 2.213 116.752 114.554 -0.025 0.000 2.779 7 T HA 0.607 4.953 4.350 -0.006 0.000 0.280 7 T C -0.604 174.086 174.700 -0.017 0.000 0.987 7 T CA -0.418 61.671 62.100 -0.018 0.000 0.966 7 T CB 1.553 70.413 68.868 -0.013 0.000 0.933 7 T HN 0.410 nan 8.240 nan 0.000 0.442 8 V N 4.689 124.594 119.914 -0.015 0.000 2.444 8 V HA 0.368 4.485 4.120 -0.006 0.000 0.294 8 V C 0.120 176.207 176.094 -0.012 0.000 1.022 8 V CA -1.123 61.169 62.300 -0.015 0.000 0.850 8 V CB 1.179 32.993 31.823 -0.015 0.000 0.992 8 V HN 0.982 nan 8.190 nan 0.000 0.426 9 N N 4.013 122.705 118.700 -0.012 0.000 2.727 9 N HA -0.220 4.517 4.740 -0.006 0.000 0.249 9 N C 1.193 176.700 175.510 -0.005 0.000 1.048 9 N CA 1.544 54.588 53.050 -0.010 0.000 0.714 9 N CB -1.104 37.376 38.487 -0.011 0.000 0.959 9 N HN 1.570 nan 8.380 nan 0.000 0.544 10 G N -1.544 107.253 108.800 -0.005 0.000 2.179 10 G HA2 -0.318 3.639 3.960 -0.006 0.000 0.260 10 G HA3 -0.318 3.639 3.960 -0.006 0.000 0.260 10 G C 0.051 174.949 174.900 -0.002 0.000 0.977 10 G CA 0.483 45.582 45.100 -0.002 0.000 0.641 10 G HN 0.506 nan 8.290 nan 0.000 0.533 11 I N 0.921 121.489 120.570 -0.004 0.000 2.406 11 I HA 0.345 4.511 4.170 -0.006 0.000 0.290 11 I C 0.479 176.593 176.117 -0.006 0.000 0.999 11 I CA -0.864 60.434 61.300 -0.003 0.000 1.124 11 I CB 1.867 39.866 38.000 -0.001 0.000 1.289 11 I HN 0.207 nan 8.210 nan 0.000 0.441 12 E N 6.495 126.692 120.200 -0.006 0.000 2.417 12 E HA 0.016 4.363 4.350 -0.006 0.000 0.261 12 E C -0.945 175.650 176.600 -0.009 0.000 1.000 12 E CA -0.148 56.246 56.400 -0.010 0.000 0.919 12 E CB 0.642 30.338 29.700 -0.008 0.000 0.955 12 E HN 0.382 nan 8.360 nan 0.000 0.455 13 Q N 3.674 123.463 119.800 -0.019 0.000 2.333 13 Q HA 0.184 4.521 4.340 -0.006 0.000 0.268 13 Q C -0.864 175.110 176.000 -0.043 0.000 1.007 13 Q CA -0.761 55.031 55.803 -0.018 0.000 0.810 13 Q CB 1.542 30.268 28.738 -0.021 0.000 1.264 13 Q HN 0.444 nan 8.270 nan 0.000 0.452 14 N N 3.927 122.613 118.700 -0.024 0.000 2.663 14 N HA 0.189 4.926 4.740 -0.006 0.000 0.250 14 N C -1.058 174.359 175.510 -0.156 0.000 1.129 14 N CA 0.066 53.070 53.050 -0.076 0.000 0.995 14 N CB 0.068 38.587 38.487 0.054 0.000 1.324 14 N HN 0.481 nan 8.380 nan 0.000 0.512 15 L N 2.751 123.793 121.223 -0.302 0.000 2.312 15 L HA 0.444 4.781 4.340 -0.006 0.000 0.281 15 L C -0.492 176.038 176.870 -0.566 0.000 1.070 15 L CA -0.659 54.033 54.840 -0.247 0.000 0.805 15 L CB 0.634 42.607 42.059 -0.144 0.000 1.174 15 L HN 0.313 nan 8.230 nan 0.000 0.434 16 F N 3.113 123.059 119.950 -0.007 0.000 2.445 16 F HA 0.540 5.064 4.527 -0.006 0.000 0.348 16 F C 0.042 175.838 175.800 -0.007 0.000 1.125 16 F CA -0.773 57.223 58.000 -0.006 0.000 0.983 16 F CB 1.777 40.773 39.000 -0.006 0.000 1.198 16 F HN 0.125 nan 8.300 nan 0.000 0.436 17 V N -0.929 119.035 119.914 0.083 0.000 3.114 17 V HA 0.618 4.734 4.120 -0.006 0.000 0.308 17 V C -1.142 174.976 176.094 0.040 0.000 1.168 17 V CA -0.939 61.390 62.300 0.047 0.000 1.015 17 V CB 2.078 33.904 31.823 0.004 0.000 1.050 17 V HN 0.495 nan 8.190 nan 0.000 0.433 18 D N 1.617 122.035 120.400 0.030 0.000 2.308 18 D HA 0.542 5.179 4.640 -0.006 0.000 0.251 18 D C 1.141 177.447 176.300 0.010 0.000 1.127 18 D CA 0.461 54.474 54.000 0.022 0.000 0.876 18 D CB 1.978 42.789 40.800 0.019 0.000 1.176 18 D HN 0.948 nan 8.370 nan 0.000 0.446 19 A N 4.611 127.436 122.820 0.007 0.000 2.024 19 A HA -0.172 4.144 4.320 -0.006 0.000 0.220 19 A C 1.659 179.243 177.584 0.001 0.000 1.164 19 A CA 1.200 53.237 52.037 0.000 0.000 0.643 19 A CB -0.224 18.776 19.000 -0.000 0.000 0.806 19 A HN 0.622 nan 8.150 nan 0.000 0.451 20 E N -0.103 120.100 120.200 0.004 0.000 2.478 20 E HA 0.231 4.578 4.350 -0.006 0.000 0.194 20 E C 0.921 177.525 176.600 0.006 0.000 1.045 20 E CA 0.566 56.969 56.400 0.005 0.000 0.868 20 E CB -0.440 29.264 29.700 0.007 0.000 0.885 20 E HN 0.576 nan 8.360 nan 0.000 0.505 21 A N 1.245 124.069 122.820 0.006 0.000 2.483 21 A HA 0.234 4.551 4.320 -0.006 0.000 0.238 21 A C 0.297 177.883 177.584 0.004 0.000 1.070 21 A CA -0.189 51.852 52.037 0.007 0.000 0.770 21 A CB 0.116 19.120 19.000 0.008 0.000 1.008 21 A HN 0.163 nan 8.150 nan 0.000 0.497 22 L N 2.315 123.541 121.223 0.006 0.000 2.349 22 L HA 0.104 4.440 4.340 -0.006 0.000 0.275 22 L C 1.497 178.369 176.870 0.002 0.000 1.115 22 L CA -0.612 54.231 54.840 0.005 0.000 0.820 22 L CB 0.616 42.682 42.059 0.011 0.000 1.135 22 L HN 0.860 nan 8.230 nan 0.000 0.445 23 L N 2.715 123.937 121.223 -0.002 0.000 2.079 23 L HA -0.203 4.133 4.340 -0.006 0.000 0.210 23 L C 2.581 179.448 176.870 -0.004 0.000 1.081 23 L CA 2.194 57.030 54.840 -0.005 0.000 0.752 23 L CB -0.485 41.569 42.059 -0.009 0.000 0.896 23 L HN 0.901 nan 8.230 nan 0.000 0.433 24 S N -1.306 114.394 115.700 -0.001 0.000 2.359 24 S HA -0.224 4.242 4.470 -0.006 0.000 0.224 24 S C 1.760 176.363 174.600 0.005 0.000 1.035 24 S CA 1.304 59.505 58.200 0.002 0.000 1.018 24 S CB -0.935 62.271 63.200 0.009 0.000 0.876 24 S HN 0.521 nan 8.310 nan 0.000 0.448 25 D N 1.531 121.936 120.400 0.008 0.000 2.097 25 D HA -0.047 4.590 4.640 -0.006 0.000 0.195 25 D C 2.231 178.532 176.300 0.001 0.000 0.989 25 D CA 1.220 55.223 54.000 0.006 0.000 0.827 25 D CB -0.662 40.142 40.800 0.006 0.000 0.966 25 D HN 0.342 nan 8.370 nan 0.000 0.456 26 V N 1.335 121.249 119.914 0.001 0.000 2.287 26 V HA -0.233 3.883 4.120 -0.006 0.000 0.248 26 V C 2.702 178.795 176.094 -0.002 0.000 1.053 26 V CA 1.261 63.562 62.300 0.001 0.000 1.027 26 V CB -0.524 31.299 31.823 -0.001 0.000 0.646 26 V HN 0.186 nan 8.190 nan 0.000 0.447 27 L N -0.774 120.446 121.223 -0.005 0.000 1.994 27 L HA -0.169 4.168 4.340 -0.006 0.000 0.208 27 L C 2.808 179.674 176.870 -0.007 0.000 1.071 27 L CA 1.772 56.607 54.840 -0.008 0.000 0.745 27 L CB -0.620 41.432 42.059 -0.013 0.000 0.892 27 L HN 0.223 nan 8.230 nan 0.000 0.431 28 R N -0.422 120.075 120.500 -0.005 0.000 2.062 28 R HA -0.144 4.193 4.340 -0.006 0.000 0.231 28 R C 2.335 178.630 176.300 -0.008 0.000 1.136 28 R CA 1.502 57.600 56.100 -0.003 0.000 0.948 28 R CB -0.226 30.077 30.300 0.005 0.000 0.845 28 R HN 0.468 nan 8.270 nan 0.000 0.430 29 Q N -0.175 119.620 119.800 -0.009 0.000 2.134 29 Q HA -0.048 4.289 4.340 -0.006 0.000 0.195 29 Q C 2.138 178.131 176.000 -0.012 0.000 0.958 29 Q CA 0.839 56.632 55.803 -0.017 0.000 0.840 29 Q CB 0.257 28.982 28.738 -0.022 0.000 0.918 29 Q HN 0.373 nan 8.270 nan 0.000 0.467 30 Q N 0.176 119.974 119.800 -0.003 0.000 2.137 30 Q HA 0.030 4.366 4.340 -0.006 0.000 0.198 30 Q C 1.734 177.739 176.000 0.007 0.000 0.960 30 Q CA 0.806 56.612 55.803 0.007 0.000 0.847 30 Q CB 0.351 29.101 28.738 0.019 0.000 0.915 30 Q HN 0.305 nan 8.270 nan 0.000 0.448 31 L N -1.107 120.117 121.223 0.002 0.000 2.616 31 L HA 0.277 4.613 4.340 -0.006 0.000 0.229 31 L C 0.973 177.840 176.870 -0.005 0.000 1.110 31 L CA 0.294 55.134 54.840 0.001 0.000 0.884 31 L CB 0.224 42.282 42.059 -0.001 0.000 1.115 31 L HN 0.377 nan 8.230 nan 0.000 0.481 32 G N 1.370 110.165 108.800 -0.008 0.000 2.179 32 G HA2 -0.299 3.657 3.960 -0.006 0.000 0.257 32 G HA3 -0.299 3.657 3.960 -0.006 0.000 0.257 32 G C 0.309 175.203 174.900 -0.011 0.000 1.010 32 G CA -0.002 45.091 45.100 -0.012 0.000 0.736 32 G HN 0.309 nan 8.290 nan 0.000 0.513 33 L N 1.970 123.187 121.223 -0.010 0.000 2.423 33 L HA 0.250 4.586 4.340 -0.006 0.000 0.249 33 L C 2.061 178.925 176.870 -0.011 0.000 1.276 33 L CA 0.323 55.156 54.840 -0.012 0.000 1.199 33 L CB -0.010 42.040 42.059 -0.015 0.000 1.407 33 L HN 0.371 nan 8.230 nan 0.000 0.410 34 T N -4.115 110.437 114.554 -0.004 0.000 3.163 34 T HA -0.058 4.289 4.350 -0.006 0.000 0.260 34 T C 1.860 176.563 174.700 0.004 0.000 1.156 34 T CA 0.584 62.689 62.100 0.008 0.000 1.072 34 T CB 0.068 68.950 68.868 0.024 0.000 0.937 34 T HN 0.551 nan 8.240 nan 0.000 0.528 35 G N 1.302 110.096 108.800 -0.011 0.000 2.498 35 G HA2 0.063 4.020 3.960 -0.006 0.000 0.219 35 G HA3 0.063 4.020 3.960 -0.006 0.000 0.219 35 G C 0.520 175.379 174.900 -0.068 0.000 1.119 35 G CA 0.002 45.084 45.100 -0.029 0.000 0.766 35 G HN 0.540 nan 8.290 nan 0.000 0.552 36 V N 2.645 122.523 119.914 -0.059 0.000 2.370 36 V HA 0.181 4.297 4.120 -0.006 0.000 0.257 36 V C -0.146 175.887 176.094 -0.102 0.000 1.064 36 V CA -0.562 61.693 62.300 -0.075 0.000 0.975 36 V CB 0.600 32.396 31.823 -0.046 0.000 1.067 36 V HN 0.089 nan 8.190 nan 0.000 0.485 37 K N 3.816 124.095 120.400 -0.201 0.000 2.174 37 K HA 0.571 4.888 4.320 -0.006 0.000 0.275 37 K C -0.510 175.995 176.600 -0.159 0.000 1.015 37 K CA -0.469 55.615 56.287 -0.337 0.000 0.933 37 K CB 2.084 34.031 32.500 -0.922 0.000 1.025 37 K HN 0.354 nan 8.250 nan 0.000 0.463 38 V N 1.923 121.849 119.914 0.019 0.000 2.444 38 V HA 0.435 4.551 4.120 -0.006 0.000 0.294 38 V C 0.787 177.079 176.094 0.329 0.000 1.022 38 V CA -0.373 62.009 62.300 0.138 0.000 0.850 38 V CB 1.546 33.439 31.823 0.116 0.000 0.992 38 V HN 1.002 nan 8.190 nan 0.000 0.426 39 G N 2.013 110.985 108.800 0.286 0.000 2.478 39 G HA2 -0.013 3.943 3.960 -0.006 0.000 0.211 39 G HA3 -0.013 3.943 3.960 -0.006 0.000 0.211 39 G C 1.577 176.600 174.900 0.205 0.000 1.726 39 G CA 0.932 46.214 45.100 0.304 0.000 0.725 39 G HN 0.835 nan 8.290 nan 0.000 0.654 40 C N -0.097 119.212 119.300 0.015 0.000 2.446 40 C HA 0.285 4.741 4.460 -0.006 0.000 0.279 40 C C 1.551 176.580 174.990 0.066 0.000 1.366 40 C CA 1.072 60.037 59.018 -0.088 0.000 1.763 40 C CB -0.885 26.662 27.740 -0.322 0.000 1.929 40 C HN 0.678 nan 8.230 nan 0.000 0.509 41 E N -0.152 120.087 120.200 0.065 0.000 3.170 41 E HA -0.268 4.078 4.350 -0.006 0.000 0.284 41 E C 0.418 177.045 176.600 0.046 0.000 0.967 41 E CA 1.079 57.520 56.400 0.068 0.000 0.919 41 E CB -1.464 28.297 29.700 0.101 0.000 1.469 41 E HN 0.872 nan 8.360 nan 0.000 0.444 42 Q N -1.282 118.530 119.800 0.020 0.000 2.093 42 Q HA 0.248 4.585 4.340 -0.006 0.000 0.217 42 Q C 0.944 176.939 176.000 -0.008 0.000 0.785 42 Q CA 0.331 56.142 55.803 0.014 0.000 1.038 42 Q CB 1.652 30.407 28.738 0.028 0.000 1.190 42 Q HN 0.361 nan 8.270 nan 0.000 0.468 43 G N 1.594 110.384 108.800 -0.016 0.000 2.148 43 G HA2 -0.324 3.633 3.960 -0.006 0.000 0.254 43 G HA3 -0.324 3.633 3.960 -0.006 0.000 0.254 43 G C 0.583 175.459 174.900 -0.042 0.000 0.981 43 G CA 0.502 45.585 45.100 -0.029 0.000 0.670 43 G HN 0.401 nan 8.290 nan 0.000 0.528 44 Q N -1.192 118.588 119.800 -0.035 0.000 2.281 44 Q HA 0.261 4.598 4.340 -0.006 0.000 0.215 44 Q C 2.358 178.408 176.000 0.084 0.000 0.867 44 Q CA 0.857 56.657 55.803 -0.006 0.000 0.940 44 Q CB 0.533 29.276 28.738 0.010 0.000 1.111 44 Q HN 1.069 nan 8.270 nan 0.000 0.513 45 C N -3.413 115.888 119.300 0.001 0.000 3.545 45 C HA 0.598 5.054 4.460 -0.006 0.000 0.368 45 C C 1.630 176.611 174.990 -0.015 0.000 1.400 45 C CA 0.356 59.359 59.018 -0.025 0.000 1.848 45 C CB 0.108 27.757 27.740 -0.153 0.000 2.576 45 C HN 0.544 nan 8.230 nan 0.000 0.683 46 G N 1.253 110.036 108.800 -0.029 0.000 2.189 46 G HA2 -0.210 3.747 3.960 -0.006 0.000 0.267 46 G HA3 -0.210 3.747 3.960 -0.006 0.000 0.267 46 G C 1.332 176.175 174.900 -0.094 0.000 0.975 46 G CA 1.004 46.063 45.100 -0.069 0.000 0.644 46 G HN 1.556 nan 8.290 nan 0.000 0.537 47 A N -0.151 122.632 122.820 -0.061 0.000 2.024 47 A HA 0.046 4.363 4.320 -0.006 0.000 0.220 47 A C 2.466 179.981 177.584 -0.114 0.000 1.164 47 A CA 2.408 54.395 52.037 -0.084 0.000 0.643 47 A CB -0.882 18.093 19.000 -0.042 0.000 0.806 47 A HN 1.827 nan 8.150 nan 0.000 0.451 48 C N -1.138 118.119 119.300 -0.072 0.000 2.525 48 C HA 0.527 4.983 4.460 -0.006 0.000 0.313 48 C C 0.765 175.724 174.990 -0.051 0.000 1.311 48 C CA -0.972 58.009 59.018 -0.061 0.000 1.725 48 C CB -2.126 25.596 27.740 -0.030 0.000 1.926 48 C HN 0.284 nan 8.230 nan 0.000 0.595 49 S N 1.742 117.407 115.700 -0.059 0.000 2.544 49 S HA 0.402 4.868 4.470 -0.006 0.000 0.290 49 S C 0.317 174.893 174.600 -0.040 0.000 1.276 49 S CA 0.335 58.509 58.200 -0.042 0.000 1.075 49 S CB 0.444 63.617 63.200 -0.045 0.000 0.849 49 S HN 1.034 nan 8.310 nan 0.000 0.494 50 V N 1.664 121.563 119.914 -0.025 0.000 3.102 50 V HA 0.666 4.782 4.120 -0.006 0.000 0.312 50 V C -0.607 175.480 176.094 -0.011 0.000 1.135 50 V CA -1.221 61.065 62.300 -0.025 0.000 1.022 50 V CB 1.613 33.421 31.823 -0.024 0.000 1.056 50 V HN 0.694 nan 8.190 nan 0.000 0.436 51 I N 2.965 123.528 120.570 -0.012 0.000 2.312 51 I HA 0.440 4.607 4.170 -0.006 0.000 0.291 51 I C -0.704 175.413 176.117 -0.001 0.000 1.031 51 I CA -0.296 61.004 61.300 0.001 0.000 1.293 51 I CB 1.420 39.419 38.000 -0.002 0.000 1.403 51 I HN 0.527 nan 8.210 nan 0.000 0.484 52 L N 7.071 128.298 121.223 0.007 0.000 2.316 52 L HA 0.443 4.780 4.340 -0.006 0.000 0.280 52 L C -0.334 176.542 176.870 0.009 0.000 1.006 52 L CA -0.103 54.739 54.840 0.003 0.000 0.836 52 L CB 0.619 42.678 42.059 0.000 0.000 1.221 52 L HN 0.502 nan 8.230 nan 0.000 0.418 53 D N 4.804 125.207 120.400 0.005 0.000 2.686 53 D HA -0.206 4.431 4.640 -0.006 0.000 0.235 53 D C 1.167 177.478 176.300 0.020 0.000 1.160 53 D CA 1.535 55.540 54.000 0.009 0.000 0.645 53 D CB -0.984 39.820 40.800 0.006 0.000 1.039 53 D HN 1.230 nan 8.370 nan 0.000 0.423 54 G N -1.065 107.750 108.800 0.024 0.000 2.179 54 G HA2 -0.343 3.614 3.960 -0.006 0.000 0.260 54 G HA3 -0.343 3.614 3.960 -0.006 0.000 0.260 54 G C 0.293 175.234 174.900 0.067 0.000 0.977 54 G CA 0.661 45.784 45.100 0.039 0.000 0.641 54 G HN 0.412 nan 8.290 nan 0.000 0.533 55 K N 0.340 120.776 120.400 0.060 0.000 2.207 55 K HA 0.600 4.917 4.320 -0.006 0.000 0.255 55 K C -0.047 176.590 176.600 0.062 0.000 0.941 55 K CA -0.754 55.581 56.287 0.079 0.000 0.825 55 K CB 2.678 35.212 32.500 0.057 0.000 1.119 55 K HN 0.047 nan 8.250 nan 0.000 0.430 56 V N 3.688 123.638 119.914 0.061 0.000 2.408 56 V HA 0.144 4.261 4.120 -0.006 0.000 0.267 56 V C 0.226 176.347 176.094 0.045 0.000 1.047 56 V CA -0.585 61.721 62.300 0.010 0.000 0.937 56 V CB 0.812 32.553 31.823 -0.136 0.000 0.999 56 V HN 0.537 nan 8.190 nan 0.000 0.472 57 V N 3.235 123.164 119.914 0.025 0.000 2.960 57 V HA 0.683 4.800 4.120 -0.006 0.000 0.315 57 V C -0.254 175.842 176.094 0.004 0.000 1.087 57 V CA -1.429 60.882 62.300 0.019 0.000 0.982 57 V CB 2.023 33.849 31.823 0.006 0.000 1.039 57 V HN 0.725 nan 8.190 nan 0.000 0.437 58 R N 2.302 122.800 120.500 -0.004 0.000 2.210 58 R HA 0.605 4.942 4.340 -0.006 0.000 0.338 58 R C 1.254 177.547 176.300 -0.012 0.000 1.062 58 R CA 0.362 56.455 56.100 -0.013 0.000 0.902 58 R CB 1.324 31.613 30.300 -0.019 0.000 1.050 58 R HN 1.012 nan 8.270 nan 0.000 0.461 59 A N 2.563 125.376 122.820 -0.013 0.000 2.070 59 A HA -0.176 4.141 4.320 -0.006 0.000 0.220 59 A C 1.999 179.581 177.584 -0.004 0.000 1.159 59 A CA 1.428 53.460 52.037 -0.010 0.000 0.656 59 A CB -0.620 18.372 19.000 -0.013 0.000 0.800 59 A HN 0.988 nan 8.150 nan 0.000 0.453 60 C N -1.418 117.881 119.300 -0.001 0.000 2.456 60 C HA 0.217 4.673 4.460 -0.006 0.000 0.279 60 C C 1.572 176.566 174.990 0.008 0.000 1.427 60 C CA 0.763 59.787 59.018 0.009 0.000 1.778 60 C CB -1.577 26.174 27.740 0.018 0.000 1.842 60 C HN 0.777 nan 8.230 nan 0.000 0.531 61 V N -2.291 117.622 119.914 -0.001 0.000 3.070 61 V HA 0.365 4.482 4.120 -0.006 0.000 0.345 61 V C 0.004 176.094 176.094 -0.006 0.000 1.403 61 V CA 0.180 62.478 62.300 -0.003 0.000 1.155 61 V CB -0.859 30.958 31.823 -0.010 0.000 1.140 61 V HN 0.404 nan 8.190 nan 0.000 0.505 62 T N 2.158 116.709 114.554 -0.005 0.000 2.842 62 T HA 0.426 4.773 4.350 -0.006 0.000 0.308 62 T C -0.157 174.540 174.700 -0.005 0.000 1.041 62 T CA -0.347 61.748 62.100 -0.007 0.000 0.964 62 T CB 1.203 70.067 68.868 -0.008 0.000 0.972 62 T HN 0.426 nan 8.240 nan 0.000 0.460 63 K N 2.794 123.191 120.400 -0.005 0.000 2.202 63 K HA 0.294 4.610 4.320 -0.006 0.000 0.264 63 K C 1.275 177.871 176.600 -0.007 0.000 1.010 63 K CA -0.815 55.469 56.287 -0.004 0.000 0.940 63 K CB 0.541 33.039 32.500 -0.002 0.000 0.983 63 K HN 0.347 nan 8.250 nan 0.000 0.475 64 M N 2.008 121.603 119.600 -0.007 0.000 2.358 64 M HA -0.164 4.313 4.480 -0.006 0.000 0.264 64 M C 1.670 177.961 176.300 -0.015 0.000 1.064 64 M CA 1.681 56.973 55.300 -0.013 0.000 1.093 64 M CB -0.900 31.692 32.600 -0.013 0.000 1.401 64 M HN 0.570 nan 8.290 nan 0.000 0.440 65 K N -0.524 119.870 120.400 -0.011 0.000 2.360 65 K HA -0.104 4.213 4.320 -0.006 0.000 0.201 65 K C 1.352 177.944 176.600 -0.013 0.000 1.046 65 K CA 0.799 57.079 56.287 -0.012 0.000 0.945 65 K CB -0.220 32.276 32.500 -0.008 0.000 0.750 65 K HN 0.217 nan 8.250 nan 0.000 0.464 66 R N 1.248 121.740 120.500 -0.012 0.000 2.310 66 R HA 0.148 4.484 4.340 -0.006 0.000 0.202 66 R C -0.017 176.275 176.300 -0.014 0.000 0.933 66 R CA 0.113 56.206 56.100 -0.012 0.000 1.054 66 R CB 0.251 30.544 30.300 -0.011 0.000 0.985 66 R HN 0.019 nan 8.270 nan 0.000 0.489 67 V N 1.996 121.900 119.914 -0.017 0.000 2.333 67 V HA 0.364 4.481 4.120 -0.006 0.000 0.274 67 V C 0.512 176.591 176.094 -0.025 0.000 1.028 67 V CA -1.088 61.200 62.300 -0.021 0.000 0.851 67 V CB 1.038 32.847 31.823 -0.024 0.000 1.000 67 V HN 0.139 nan 8.190 nan 0.000 0.456 68 A N 3.768 126.575 122.820 -0.022 0.000 2.407 68 A HA 0.397 4.713 4.320 -0.006 0.000 0.248 68 A C 0.123 177.689 177.584 -0.031 0.000 1.082 68 A CA -0.528 51.495 52.037 -0.024 0.000 0.785 68 A CB 0.023 19.012 19.000 -0.018 0.000 1.020 68 A HN 0.823 nan 8.150 nan 0.000 0.489 69 D N 0.851 121.230 120.400 -0.035 0.000 2.586 69 D HA 0.343 4.979 4.640 -0.006 0.000 0.234 69 D C 1.316 177.597 176.300 -0.032 0.000 1.132 69 D CA 2.197 56.173 54.000 -0.041 0.000 0.860 69 D CB 0.160 40.936 40.800 -0.039 0.000 1.159 69 D HN 1.171 nan 8.370 nan 0.000 0.490 70 G N 1.128 109.907 108.800 -0.035 0.000 2.159 70 G HA2 -0.166 3.791 3.960 -0.006 0.000 0.256 70 G HA3 -0.166 3.791 3.960 -0.006 0.000 0.256 70 G C 0.555 175.442 174.900 -0.021 0.000 0.977 70 G CA 0.157 45.242 45.100 -0.026 0.000 0.652 70 G HN 0.885 nan 8.290 nan 0.000 0.531 71 A N -0.339 122.467 122.820 -0.023 0.000 2.466 71 A HA 0.561 4.878 4.320 -0.006 0.000 0.238 71 A C 0.545 178.119 177.584 -0.016 0.000 1.074 71 A CA 0.490 52.516 52.037 -0.018 0.000 0.774 71 A CB 0.297 19.286 19.000 -0.020 0.000 1.015 71 A HN 0.408 nan 8.150 nan 0.000 0.498 72 Q N 0.700 120.493 119.800 -0.011 0.000 2.322 72 Q HA 0.576 4.912 4.340 -0.006 0.000 0.265 72 Q C -0.996 174.997 176.000 -0.010 0.000 0.985 72 Q CA 0.090 55.887 55.803 -0.010 0.000 0.849 72 Q CB 1.698 30.432 28.738 -0.006 0.000 1.274 72 Q HN 0.631 nan 8.270 nan 0.000 0.449 73 I N 1.306 121.868 120.570 -0.013 0.000 2.509 73 I HA 0.423 4.589 4.170 -0.006 0.000 0.293 73 I C -0.288 175.819 176.117 -0.017 0.000 1.020 73 I CA -0.613 60.678 61.300 -0.015 0.000 1.088 73 I CB 2.346 40.336 38.000 -0.017 0.000 1.267 73 I HN 0.325 nan 8.210 nan 0.000 0.430 74 T N 3.107 117.649 114.554 -0.020 0.000 2.841 74 T HA 0.476 4.822 4.350 -0.006 0.000 0.285 74 T C -0.021 174.657 174.700 -0.036 0.000 0.991 74 T CA -0.663 61.420 62.100 -0.028 0.000 0.966 74 T CB 1.621 70.469 68.868 -0.033 0.000 0.962 74 T HN 0.763 nan 8.240 nan 0.000 0.438 75 T N -0.067 114.464 114.554 -0.039 0.000 2.919 75 T HA 0.544 4.890 4.350 -0.006 0.000 0.282 75 T C 1.392 176.056 174.700 -0.060 0.000 1.020 75 T CA -0.824 61.247 62.100 -0.047 0.000 0.994 75 T CB 0.784 69.629 68.868 -0.039 0.000 1.180 75 T HN 0.207 nan 8.240 nan 0.000 0.566 76 I N 1.037 121.566 120.570 -0.069 0.000 2.264 76 I HA -0.095 4.071 4.170 -0.006 0.000 0.248 76 I C 2.216 178.300 176.117 -0.055 0.000 1.111 76 I CA 1.685 62.938 61.300 -0.079 0.000 1.382 76 I CB -0.703 37.246 38.000 -0.086 0.000 1.060 76 I HN 0.799 nan 8.210 nan 0.000 0.418 77 E N 0.057 120.234 120.200 -0.039 0.000 2.209 77 E HA -0.138 4.209 4.350 -0.006 0.000 0.196 77 E C 2.144 178.733 176.600 -0.019 0.000 0.993 77 E CA 1.231 57.617 56.400 -0.023 0.000 0.819 77 E CB -0.605 29.084 29.700 -0.018 0.000 0.745 77 E HN 0.614 nan 8.360 nan 0.000 0.477 78 G N -0.490 108.294 108.800 -0.027 0.000 2.838 78 G HA2 -0.044 3.913 3.960 -0.006 0.000 0.210 78 G HA3 -0.044 3.913 3.960 -0.006 0.000 0.210 78 G C 1.510 176.396 174.900 -0.024 0.000 1.153 78 G CA 0.041 45.129 45.100 -0.020 0.000 0.778 78 G HN 0.131 nan 8.290 nan 0.000 0.539 79 V N 0.398 120.281 119.914 -0.052 0.000 2.379 79 V HA 0.361 4.477 4.120 -0.006 0.000 0.245 79 V C 1.435 177.533 176.094 0.006 0.000 1.044 79 V CA 1.636 63.882 62.300 -0.089 0.000 1.036 79 V CB -0.418 31.291 31.823 -0.190 0.000 0.664 79 V HN 0.556 nan 8.190 nan 0.000 0.453 80 G N -1.191 107.617 108.800 0.012 0.000 2.377 80 G HA2 0.556 4.512 3.960 -0.006 0.000 0.297 80 G HA3 0.556 4.512 3.960 -0.006 0.000 0.297 80 G C -2.018 172.897 174.900 0.025 0.000 1.547 80 G CA -0.678 44.450 45.100 0.048 0.000 0.833 80 G HN 0.141 nan 8.290 nan 0.000 0.583 81 Q N -0.356 119.462 119.800 0.029 0.000 2.458 81 Q HA 0.659 4.996 4.340 -0.006 0.000 0.282 81 Q C -2.708 173.308 176.000 0.027 0.000 1.106 81 Q CA -1.815 54.001 55.803 0.021 0.000 0.814 81 Q CB 1.872 30.619 28.738 0.016 0.000 1.425 81 Q HN 0.374 nan 8.270 nan 0.000 0.437 82 P HA -0.032 nan 4.420 nan 0.000 0.265 82 P C -0.448 176.867 177.300 0.025 0.000 1.193 82 P CA 0.528 63.644 63.100 0.027 0.000 0.765 82 P CB 0.411 32.126 31.700 0.025 0.000 0.823 83 E N -0.040 120.176 120.200 0.027 0.000 3.799 83 E HA -0.259 4.088 4.350 -0.006 0.000 0.320 83 E C 0.105 176.719 176.600 0.024 0.000 0.760 83 E CA 1.199 57.614 56.400 0.024 0.000 1.153 83 E CB -2.076 27.636 29.700 0.020 0.000 1.589 83 E HN 0.547 nan 8.360 nan 0.000 0.448 84 N N 0.326 119.043 118.700 0.028 0.000 2.664 84 N HA 0.233 4.969 4.740 -0.006 0.000 0.287 84 N C -0.863 174.674 175.510 0.045 0.000 1.869 84 N CA -0.122 52.947 53.050 0.030 0.000 0.832 84 N CB 0.204 38.707 38.487 0.027 0.000 1.293 84 N HN 0.009 nan 8.380 nan 0.000 0.498 85 L N 1.123 122.376 121.223 0.049 0.000 2.380 85 L HA 0.245 4.582 4.340 -0.006 0.000 0.273 85 L C 1.077 178.002 176.870 0.093 0.000 1.138 85 L CA -0.554 54.330 54.840 0.073 0.000 0.832 85 L CB 0.519 42.620 42.059 0.070 0.000 1.124 85 L HN 0.347 nan 8.230 nan 0.000 0.454 86 H N 4.905 123.988 119.070 0.022 0.000 2.690 86 H HA 0.078 4.631 4.556 -0.006 0.000 0.365 86 H C -1.843 173.515 175.328 0.049 0.000 1.142 86 H CA -1.411 54.653 56.048 0.026 0.000 1.417 86 H CB 1.808 31.577 29.762 0.011 0.000 1.446 86 H HN 0.350 nan 8.280 nan 0.000 0.599 87 P HA -0.175 nan 4.420 nan 0.000 0.217 87 P C 1.824 179.256 177.300 0.219 0.000 1.151 87 P CA 1.202 64.297 63.100 -0.007 0.000 0.849 87 P CB 0.177 31.804 31.700 -0.122 0.000 0.787 88 L N -1.198 120.305 121.223 0.466 0.000 2.046 88 L HA -0.240 4.096 4.340 -0.006 0.000 0.208 88 L C 2.614 179.695 176.870 0.352 0.000 1.077 88 L CA 1.684 56.769 54.840 0.407 0.000 0.747 88 L CB -0.826 41.397 42.059 0.273 0.000 0.896 88 L HN 0.032 nan 8.230 nan 0.000 0.432 89 Q N -0.331 119.615 119.800 0.244 0.000 2.079 89 Q HA -0.194 4.143 4.340 -0.006 0.000 0.200 89 Q C 2.230 178.366 176.000 0.226 0.000 0.974 89 Q CA 1.290 57.199 55.803 0.176 0.000 0.840 89 Q CB -0.013 28.787 28.738 0.102 0.000 0.898 89 Q HN 0.408 nan 8.270 nan 0.000 0.430 90 K N 0.527 121.041 120.400 0.190 0.000 2.063 90 K HA -0.154 4.163 4.320 -0.006 0.000 0.208 90 K C 2.133 178.857 176.600 0.207 0.000 1.048 90 K CA 1.261 57.643 56.287 0.157 0.000 0.928 90 K CB -0.229 32.336 32.500 0.109 0.000 0.713 90 K HN 0.152 nan 8.250 nan 0.000 0.442 91 A N 1.085 124.071 122.820 0.276 0.000 1.902 91 A HA -0.180 4.137 4.320 -0.006 0.000 0.217 91 A C 1.922 179.738 177.584 0.386 0.000 1.181 91 A CA 0.990 53.233 52.037 0.343 0.000 0.623 91 A CB -0.850 18.347 19.000 0.328 0.000 0.818 91 A HN 0.486 nan 8.150 nan 0.000 0.443 92 W N 0.287 121.672 121.300 0.142 0.000 2.338 92 W HA -0.176 4.480 4.660 -0.006 0.000 0.304 92 W C 2.153 178.720 176.519 0.079 0.000 1.212 92 W CA 1.828 59.238 57.345 0.107 0.000 1.264 92 W CB -0.200 29.305 29.460 0.075 0.000 1.142 92 W HN 0.236 nan 8.180 nan 0.000 0.512 93 V N 0.448 120.521 119.914 0.265 0.000 2.295 93 V HA -0.315 3.802 4.120 -0.006 0.000 0.246 93 V C 2.134 178.235 176.094 0.012 0.000 1.049 93 V CA 1.685 64.049 62.300 0.105 0.000 1.024 93 V CB -1.237 30.623 31.823 0.062 0.000 0.648 93 V HN 0.079 nan 8.190 nan 0.000 0.447 94 L N -0.552 120.686 121.223 0.025 0.000 2.083 94 L HA -0.151 4.186 4.340 -0.006 0.000 0.209 94 L C 2.314 179.048 176.870 -0.227 0.000 1.083 94 L CA 1.970 56.757 54.840 -0.089 0.000 0.752 94 L CB -0.682 41.321 42.059 -0.093 0.000 0.899 94 L HN 0.418 nan 8.230 nan 0.000 0.433 95 H N -0.877 118.170 119.070 -0.039 0.000 2.539 95 H HA 0.259 4.811 4.556 -0.006 0.000 0.269 95 H C 1.363 176.622 175.328 -0.115 0.000 0.980 95 H CA 0.653 56.650 56.048 -0.086 0.000 1.152 95 H CB 0.093 29.766 29.762 -0.149 0.000 1.407 95 H HN 0.452 nan 8.280 nan 0.000 0.564 96 G N 0.852 109.631 108.800 -0.035 0.000 2.176 96 G HA2 -0.296 3.661 3.960 -0.006 0.000 0.252 96 G HA3 -0.296 3.661 3.960 -0.006 0.000 0.252 96 G C 1.424 176.284 174.900 -0.068 0.000 1.024 96 G CA 0.449 45.517 45.100 -0.053 0.000 0.755 96 G HN 0.578 nan 8.290 nan 0.000 0.507 97 G N -0.113 108.595 108.800 -0.153 0.000 2.484 97 G HA2 0.392 4.349 3.960 -0.006 0.000 0.218 97 G HA3 0.392 4.349 3.960 -0.006 0.000 0.218 97 G C 1.019 175.940 174.900 0.034 0.000 1.130 97 G CA 1.100 46.006 45.100 -0.323 0.000 0.784 97 G HN 1.770 nan 8.290 nan 0.000 0.543 98 A N 0.350 123.292 122.820 0.203 0.000 2.527 98 A HA 0.558 4.874 4.320 -0.006 0.000 0.313 98 A C 0.981 178.633 177.584 0.114 0.000 1.410 98 A CA -0.298 51.874 52.037 0.226 0.000 1.060 98 A CB 0.280 19.431 19.000 0.252 0.000 1.137 98 A HN 0.415 nan 8.150 nan 0.000 0.542 99 Q N 1.105 120.967 119.800 0.104 0.000 1.957 99 Q HA -0.056 4.281 4.340 -0.006 0.000 0.251 99 Q C 2.309 178.380 176.000 0.118 0.000 0.973 99 Q CA 1.323 57.168 55.803 0.071 0.000 0.862 99 Q CB -0.276 28.498 28.738 0.061 0.000 0.962 99 Q HN 1.068 nan 8.270 nan 0.000 0.473 100 C N -0.517 118.877 119.300 0.157 0.000 2.432 100 C HA 0.236 4.693 4.460 -0.006 0.000 0.280 100 C C 1.773 176.976 174.990 0.356 0.000 1.353 100 C CA 0.381 59.536 59.018 0.229 0.000 1.766 100 C CB -1.234 26.624 27.740 0.197 0.000 1.924 100 C HN 0.899 nan 8.230 nan 0.000 0.509 101 G N -0.553 108.428 108.800 0.302 0.000 2.179 101 G HA2 -0.370 3.587 3.960 -0.006 0.000 0.260 101 G HA3 -0.370 3.587 3.960 -0.006 0.000 0.260 101 G C 0.450 175.528 174.900 0.298 0.000 0.977 101 G CA 0.487 45.780 45.100 0.322 0.000 0.641 101 G HN 0.644 nan 8.290 nan 0.000 0.533 102 F N 1.272 121.251 119.950 0.048 0.000 2.234 102 F HA -0.027 4.496 4.527 -0.006 0.000 0.299 102 F C 2.752 178.536 175.800 -0.026 0.000 1.087 102 F CA 2.397 60.275 58.000 -0.202 0.000 1.340 102 F CB -0.039 38.755 39.000 -0.342 0.000 1.031 102 F HN 0.574 nan 8.300 nan 0.000 0.500 103 C N -1.510 117.905 119.300 0.192 0.000 2.696 103 C HA 0.235 4.692 4.460 -0.006 0.000 0.264 103 C C 2.554 177.690 174.990 0.244 0.000 1.288 103 C CA 0.294 59.451 59.018 0.233 0.000 1.717 103 C CB -1.348 26.661 27.740 0.450 0.000 1.893 103 C HN 0.297 nan 8.230 nan 0.000 0.577 104 S N 3.038 118.818 115.700 0.133 0.000 2.355 104 S HA -0.032 4.434 4.470 -0.006 0.000 0.222 104 S C -0.460 174.041 174.600 -0.164 0.000 1.031 104 S CA 1.904 60.111 58.200 0.013 0.000 0.993 104 S CB -1.290 61.931 63.200 0.035 0.000 0.859 104 S HN 0.503 nan 8.310 nan 0.000 0.453 105 P HA -0.073 nan 4.420 nan 0.000 0.215 105 P C 1.777 178.994 177.300 -0.139 0.000 1.157 105 P CA 1.437 64.446 63.100 -0.151 0.000 0.874 105 P CB -0.483 31.140 31.700 -0.128 0.000 0.790 106 G N -1.389 107.348 108.800 -0.105 0.000 2.446 106 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.217 106 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.217 106 G C 1.334 176.175 174.900 -0.097 0.000 1.168 106 G CA 0.528 45.566 45.100 -0.102 0.000 0.771 106 G HN 0.166 nan 8.290 nan 0.000 0.551 107 F N 0.570 120.434 119.950 -0.144 0.000 2.171 107 F HA 0.042 4.566 4.527 -0.006 0.000 0.300 107 F C 2.599 178.275 175.800 -0.207 0.000 1.090 107 F CA 0.930 58.830 58.000 -0.166 0.000 1.293 107 F CB -0.092 38.834 39.000 -0.123 0.000 1.013 107 F HN 0.069 nan 8.300 nan 0.000 0.486 108 I N -1.187 119.200 120.570 -0.304 0.000 2.233 108 I HA -0.241 3.926 4.170 -0.006 0.000 0.243 108 I C 2.224 178.235 176.117 -0.178 0.000 1.093 108 I CA 0.679 61.718 61.300 -0.434 0.000 1.380 108 I CB -0.465 37.173 38.000 -0.603 0.000 1.067 108 I HN -0.127 nan 8.210 nan 0.000 0.413 109 V N -0.057 119.775 119.914 -0.136 0.000 2.255 109 V HA -0.345 3.771 4.120 -0.006 0.000 0.247 109 V C 2.608 178.705 176.094 0.004 0.000 1.051 109 V CA 2.347 64.597 62.300 -0.084 0.000 1.018 109 V CB -0.728 31.051 31.823 -0.073 0.000 0.641 109 V HN 0.471 nan 8.190 nan 0.000 0.445 110 S N -0.280 115.474 115.700 0.090 0.000 2.359 110 S HA -0.246 4.221 4.470 -0.006 0.000 0.224 110 S C 2.137 176.932 174.600 0.324 0.000 1.035 110 S CA 1.823 60.186 58.200 0.272 0.000 1.018 110 S CB -0.435 62.981 63.200 0.360 0.000 0.876 110 S HN 0.639 nan 8.310 nan 0.000 0.448 111 A N 1.210 124.221 122.820 0.319 0.000 1.940 111 A HA -0.147 4.170 4.320 -0.006 0.000 0.219 111 A C 2.146 179.679 177.584 -0.085 0.000 1.176 111 A CA 1.972 54.092 52.037 0.139 0.000 0.631 111 A CB -0.715 18.498 19.000 0.356 0.000 0.814 111 A HN 0.650 nan 8.150 nan 0.000 0.446 112 K N -0.700 119.655 120.400 -0.075 0.000 2.057 112 K HA -0.113 4.204 4.320 -0.006 0.000 0.207 112 K C 2.074 178.594 176.600 -0.134 0.000 1.049 112 K CA 1.337 57.550 56.287 -0.124 0.000 0.931 112 K CB -0.546 31.841 32.500 -0.188 0.000 0.714 112 K HN 0.398 nan 8.250 nan 0.000 0.440 113 G N 1.791 110.539 108.800 -0.087 0.000 2.440 113 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.218 113 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.218 113 G C 1.404 176.088 174.900 -0.360 0.000 1.154 113 G CA 0.969 46.047 45.100 -0.036 0.000 0.767 113 G HN 0.325 nan 8.290 nan 0.000 0.552 114 L N 0.523 121.198 121.223 -0.913 0.000 1.994 114 L HA 0.071 4.407 4.340 -0.006 0.000 0.208 114 L C 2.666 179.102 176.870 -0.723 0.000 1.071 114 L CA 1.545 55.411 54.840 -1.624 0.000 0.745 114 L CB -0.556 40.419 42.059 -1.807 0.000 0.892 114 L HN 0.211 nan 8.230 nan 0.000 0.431 115 L N -0.531 120.438 121.223 -0.423 0.000 2.275 115 L HA -0.143 4.194 4.340 -0.006 0.000 0.215 115 L C 1.799 178.579 176.870 -0.151 0.000 1.119 115 L CA 0.769 55.476 54.840 -0.221 0.000 0.790 115 L CB -0.811 41.186 42.059 -0.104 0.000 0.919 115 L HN 0.304 nan 8.230 nan 0.000 0.443 116 D N -0.688 119.623 120.400 -0.147 0.000 2.348 116 D HA -0.097 4.539 4.640 -0.006 0.000 0.216 116 D C 2.061 178.316 176.300 -0.074 0.000 0.970 116 D CA 1.564 55.516 54.000 -0.080 0.000 0.889 116 D CB 0.182 40.953 40.800 -0.049 0.000 0.912 116 D HN 0.429 nan 8.370 nan 0.000 0.524 117 T N -3.335 111.142 114.554 -0.129 0.000 2.978 117 T HA 0.055 4.401 4.350 -0.006 0.000 0.248 117 T C 0.583 175.235 174.700 -0.080 0.000 1.018 117 T CA -0.325 61.732 62.100 -0.071 0.000 1.026 117 T CB 0.447 69.309 68.868 -0.010 0.000 1.032 117 T HN -0.135 nan 8.240 nan 0.000 0.485 118 N N 0.628 119.238 118.700 -0.150 0.000 2.607 118 N HA 0.587 5.324 4.740 -0.006 0.000 0.271 118 N C 0.533 175.969 175.510 -0.124 0.000 1.142 118 N CA 0.036 53.016 53.050 -0.117 0.000 0.810 118 N CB 1.513 39.927 38.487 -0.120 0.000 1.306 118 N HN 0.192 nan 8.380 nan 0.000 0.536 119 A N 2.055 124.828 122.820 -0.078 0.000 2.015 119 A HA -0.020 4.297 4.320 -0.006 0.000 0.219 119 A C 0.673 178.224 177.584 -0.055 0.000 1.163 119 A CA 1.122 53.121 52.037 -0.063 0.000 0.646 119 A CB 0.017 18.993 19.000 -0.039 0.000 0.806 119 A HN 0.564 nan 8.150 nan 0.000 0.448 120 D N -0.317 120.051 120.400 -0.052 0.000 2.749 120 D HA 0.269 4.905 4.640 -0.006 0.000 0.338 120 D C -2.727 173.547 176.300 -0.045 0.000 1.236 120 D CA -1.946 52.029 54.000 -0.040 0.000 0.845 120 D CB 0.645 41.429 40.800 -0.026 0.000 1.080 120 D HN 0.189 nan 8.370 nan 0.000 0.497 121 P HA 0.150 nan 4.420 nan 0.000 0.275 121 P C 0.162 177.437 177.300 -0.042 0.000 1.228 121 P CA -0.334 62.728 63.100 -0.063 0.000 0.786 121 P CB 1.124 32.760 31.700 -0.107 0.000 0.927 122 S N 2.248 117.931 115.700 -0.028 0.000 2.608 122 S HA 0.187 4.653 4.470 -0.006 0.000 0.261 122 S C 1.395 175.983 174.600 -0.020 0.000 1.314 122 S CA -0.544 57.644 58.200 -0.019 0.000 0.992 122 S CB 0.738 63.932 63.200 -0.010 0.000 0.935 122 S HN 0.362 nan 8.310 nan 0.000 0.564 123 R N 0.517 121.009 120.500 -0.013 0.000 2.105 123 R HA -0.116 4.220 4.340 -0.006 0.000 0.239 123 R C 2.355 178.658 176.300 0.005 0.000 1.135 123 R CA 1.726 57.822 56.100 -0.006 0.000 0.967 123 R CB -0.405 29.891 30.300 -0.006 0.000 0.861 123 R HN 0.813 nan 8.270 nan 0.000 0.442 124 E N 0.588 120.791 120.200 0.005 0.000 2.072 124 E HA -0.183 4.163 4.350 -0.006 0.000 0.191 124 E C 1.253 177.866 176.600 0.022 0.000 0.985 124 E CA 1.216 57.624 56.400 0.015 0.000 0.801 124 E CB 0.108 29.815 29.700 0.010 0.000 0.750 124 E HN 0.256 nan 8.360 nan 0.000 0.452 125 D N 0.009 120.416 120.400 0.012 0.000 2.123 125 D HA -0.152 4.485 4.640 -0.006 0.000 0.196 125 D C 2.046 178.355 176.300 0.015 0.000 0.992 125 D CA 0.859 54.872 54.000 0.022 0.000 0.833 125 D CB -0.249 40.548 40.800 -0.004 0.000 0.954 125 D HN 0.086 nan 8.370 nan 0.000 0.455 126 V N 0.931 120.818 119.914 -0.044 0.000 2.295 126 V HA -0.239 3.877 4.120 -0.006 0.000 0.246 126 V C 2.501 178.544 176.094 -0.085 0.000 1.049 126 V CA 1.645 63.856 62.300 -0.149 0.000 1.024 126 V CB -0.394 31.368 31.823 -0.102 0.000 0.648 126 V HN 0.112 nan 8.190 nan 0.000 0.447 127 R N -0.035 120.496 120.500 0.051 0.000 2.081 127 R HA -0.166 4.171 4.340 -0.006 0.000 0.235 127 R C 2.126 178.501 176.300 0.125 0.000 1.131 127 R CA 1.799 57.976 56.100 0.129 0.000 0.960 127 R CB -0.487 29.864 30.300 0.085 0.000 0.856 127 R HN 0.529 nan 8.270 nan 0.000 0.436 128 D N -0.227 120.228 120.400 0.092 0.000 2.123 128 D HA -0.241 4.395 4.640 -0.006 0.000 0.196 128 D C 1.492 177.869 176.300 0.129 0.000 0.992 128 D CA 0.800 54.853 54.000 0.088 0.000 0.833 128 D CB -0.323 40.522 40.800 0.074 0.000 0.954 128 D HN 0.365 nan 8.370 nan 0.000 0.455 129 W N 0.868 122.148 121.300 -0.035 0.000 2.355 129 W HA -0.170 4.487 4.660 -0.005 0.000 0.309 129 W C 1.877 178.503 176.519 0.179 0.000 1.206 129 W CA 0.938 58.298 57.345 0.025 0.000 1.284 129 W CB -0.703 28.659 29.460 -0.162 0.000 1.145 129 W HN -0.017 nan 8.180 nan 0.000 0.502 130 F N 0.754 120.943 119.950 0.399 0.000 2.293 130 F HA -0.248 4.276 4.527 -0.006 0.000 0.300 130 F C 2.610 178.479 175.800 0.115 0.000 1.086 130 F CA 1.178 59.340 58.000 0.270 0.000 1.375 130 F CB -0.533 38.702 39.000 0.392 0.000 1.045 130 F HN -0.011 nan 8.300 nan 0.000 0.516 131 Q N 1.540 121.478 119.800 0.230 0.000 2.046 131 Q HA -0.195 4.141 4.340 -0.006 0.000 0.200 131 Q C 2.100 178.062 176.000 -0.063 0.000 0.975 131 Q CA 1.711 57.563 55.803 0.083 0.000 0.836 131 Q CB -0.255 28.508 28.738 0.040 0.000 0.896 131 Q HN 0.264 nan 8.270 nan 0.000 0.428 132 K N -1.117 119.190 120.400 -0.155 0.000 2.057 132 K HA -0.189 4.127 4.320 -0.006 0.000 0.207 132 K C 1.108 177.397 176.600 -0.518 0.000 1.049 132 K CA 1.664 57.719 56.287 -0.386 0.000 0.931 132 K CB -0.151 32.013 32.500 -0.561 0.000 0.714 132 K HN 0.416 nan 8.250 nan 0.000 0.440 133 H N -0.072 118.836 119.070 -0.270 0.000 2.533 133 H HA 0.249 4.801 4.556 -0.006 0.000 0.271 133 H C -0.242 175.016 175.328 -0.118 0.000 1.000 133 H CA 0.011 55.916 56.048 -0.239 0.000 1.149 133 H CB 0.505 30.072 29.762 -0.325 0.000 1.375 133 H HN 0.107 nan 8.280 nan 0.000 0.582 134 R N 0.039 120.530 120.500 -0.016 0.000 3.641 134 R HA -0.190 4.146 4.340 -0.006 0.000 0.286 134 R C -1.102 175.277 176.300 0.131 0.000 1.153 134 R CA 0.224 56.348 56.100 0.039 0.000 0.775 134 R CB -3.060 27.199 30.300 -0.070 0.000 1.215 134 R HN 0.529 nan 8.270 nan 0.000 0.474 135 N N 0.676 119.397 118.700 0.034 0.000 2.399 135 N HA 0.346 5.082 4.740 -0.006 0.000 0.259 135 N C 0.037 175.548 175.510 0.001 0.000 1.160 135 N CA 0.489 53.320 53.050 -0.365 0.000 0.946 135 N CB 1.032 38.857 38.487 -1.103 0.000 1.156 135 N HN 0.359 nan 8.380 nan 0.000 0.489 136 A N 1.920 124.830 122.820 0.150 0.000 2.305 136 A HA 0.631 4.948 4.320 -0.006 0.000 0.322 136 A C -0.592 177.297 177.584 0.508 0.000 1.187 136 A CA -0.641 51.617 52.037 0.368 0.000 0.825 136 A CB 0.889 19.796 19.000 -0.155 0.000 1.164 136 A HN 0.737 nan 8.150 nan 0.000 0.498 137 C N 2.409 121.982 119.300 0.456 0.000 2.535 137 C HA 0.765 5.221 4.460 -0.006 0.000 0.319 137 C C 0.944 175.971 174.990 0.063 0.000 1.171 137 C CA -0.545 58.569 59.018 0.160 0.000 1.394 137 C CB 1.516 29.128 27.740 -0.214 0.000 1.990 137 C HN 1.076 nan 8.230 nan 0.000 0.466 138 R N 2.395 123.005 120.500 0.184 0.000 2.334 138 R HA 0.307 4.643 4.340 -0.006 0.000 0.212 138 R C 1.244 177.531 176.300 -0.023 0.000 0.897 138 R CA 1.159 57.282 56.100 0.037 0.000 1.056 138 R CB -0.622 29.766 30.300 0.147 0.000 1.046 138 R HN 0.866 nan 8.270 nan 0.000 0.513 139 C N -1.684 117.690 119.300 0.123 0.000 2.525 139 C HA 0.182 4.639 4.460 -0.006 0.000 0.291 139 C C 2.101 177.120 174.990 0.048 0.000 1.351 139 C CA 0.868 60.011 59.018 0.208 0.000 1.771 139 C CB 0.172 28.042 27.740 0.216 0.000 2.177 139 C HN 0.643 nan 8.230 nan 0.000 0.510 140 T N -2.962 111.544 114.554 -0.080 0.000 2.990 140 T HA 0.332 4.679 4.350 -0.006 0.000 0.250 140 T C 1.581 176.249 174.700 -0.053 0.000 1.041 140 T CA 1.232 63.290 62.100 -0.070 0.000 1.010 140 T CB 0.018 68.797 68.868 -0.148 0.000 1.003 140 T HN 0.825 nan 8.240 nan 0.000 0.499 141 G N 0.863 109.555 108.800 -0.179 0.000 2.166 141 G HA2 -0.376 3.581 3.960 -0.006 0.000 0.260 141 G HA3 -0.376 3.581 3.960 -0.006 0.000 0.260 141 G C 0.594 175.499 174.900 0.009 0.000 0.986 141 G CA 0.650 45.703 45.100 -0.078 0.000 0.683 141 G HN 0.678 nan 8.290 nan 0.000 0.527 142 Y N -1.790 118.474 120.300 -0.060 0.000 3.297 142 Y HA -0.389 4.157 4.550 -0.006 0.000 0.442 142 Y C 2.200 178.025 175.900 -0.126 0.000 1.265 142 Y CA 2.756 60.808 58.100 -0.080 0.000 2.337 142 Y CB -1.551 36.934 38.460 0.041 0.000 0.876 142 Y HN 0.480 nan 8.280 nan 0.000 0.487 143 K N 0.889 121.264 120.400 -0.042 0.000 2.044 143 K HA -0.194 4.123 4.320 -0.006 0.000 0.210 143 K C -1.186 175.315 176.600 -0.165 0.000 1.049 143 K CA 2.348 58.530 56.287 -0.175 0.000 0.927 143 K CB -0.753 31.456 32.500 -0.485 0.000 0.713 143 K HN 0.310 nan 8.250 nan 0.000 0.443 144 P HA -0.134 nan 4.420 nan 0.000 0.218 144 P C 1.073 178.134 177.300 -0.399 0.000 1.149 144 P CA 1.137 64.136 63.100 -0.169 0.000 0.817 144 P CB -0.002 31.642 31.700 -0.093 0.000 0.785 145 L N -1.514 119.445 121.223 -0.439 0.000 2.056 145 L HA -0.123 4.214 4.340 -0.006 0.000 0.207 145 L C 2.317 179.009 176.870 -0.297 0.000 1.078 145 L CA 1.315 55.760 54.840 -0.659 0.000 0.749 145 L CB -1.401 40.357 42.059 -0.502 0.000 0.901 145 L HN -0.126 nan 8.230 nan 0.000 0.433 146 V N -0.023 119.866 119.914 -0.041 0.000 2.307 146 V HA -0.264 3.852 4.120 -0.006 0.000 0.245 146 V C 2.179 178.203 176.094 -0.117 0.000 1.045 146 V CA 1.877 64.207 62.300 0.049 0.000 1.024 146 V CB -0.579 31.290 31.823 0.075 0.000 0.651 146 V HN 0.386 nan 8.190 nan 0.000 0.449 147 D N 0.652 120.916 120.400 -0.226 0.000 2.149 147 D HA -0.196 4.440 4.640 -0.006 0.000 0.194 147 D C 2.188 178.106 176.300 -0.636 0.000 1.001 147 D CA 1.867 55.641 54.000 -0.377 0.000 0.849 147 D CB -0.375 40.206 40.800 -0.366 0.000 0.939 147 D HN 0.464 nan 8.370 nan 0.000 0.449 148 A N 0.293 122.727 122.820 -0.643 0.000 1.898 148 A HA -0.104 4.212 4.320 -0.006 0.000 0.216 148 A C 2.534 180.061 177.584 -0.096 0.000 1.181 148 A CA 1.151 52.895 52.037 -0.488 0.000 0.620 148 A CB -0.676 17.936 19.000 -0.647 0.000 0.819 148 A HN 0.149 nan 8.150 nan 0.000 0.442 149 V N 0.209 120.131 119.914 0.013 0.000 2.343 149 V HA -0.298 3.818 4.120 -0.006 0.000 0.247 149 V C 2.705 178.828 176.094 0.048 0.000 1.051 149 V CA 2.022 64.425 62.300 0.170 0.000 1.036 149 V CB -0.710 31.246 31.823 0.221 0.000 0.654 149 V HN 0.497 nan 8.190 nan 0.000 0.451 150 M N -0.427 119.156 119.600 -0.029 0.000 2.086 150 M HA -0.165 4.311 4.480 -0.006 0.000 0.261 150 M C 2.077 178.367 176.300 -0.016 0.000 1.067 150 M CA 1.764 57.044 55.300 -0.034 0.000 1.116 150 M CB -1.386 31.182 32.600 -0.054 0.000 1.348 150 M HN 0.346 nan 8.290 nan 0.000 0.407 151 D N 0.271 120.649 120.400 -0.036 0.000 2.097 151 D HA -0.043 4.594 4.640 -0.006 0.000 0.195 151 D C 1.962 178.303 176.300 0.069 0.000 0.989 151 D CA 1.674 55.698 54.000 0.041 0.000 0.827 151 D CB 0.051 40.928 40.800 0.127 0.000 0.966 151 D HN 0.275 nan 8.370 nan 0.000 0.456 152 A N 0.708 123.583 122.820 0.092 0.000 1.883 152 A HA -0.088 4.228 4.320 -0.006 0.000 0.217 152 A C 2.367 179.990 177.584 0.065 0.000 1.186 152 A CA 2.584 54.687 52.037 0.110 0.000 0.624 152 A CB -1.002 18.111 19.000 0.188 0.000 0.822 152 A HN 0.285 nan 8.150 nan 0.000 0.444 153 A N -0.244 122.605 122.820 0.048 0.000 1.933 153 A HA 0.132 4.448 4.320 -0.006 0.000 0.218 153 A C 2.503 180.093 177.584 0.009 0.000 1.175 153 A CA 2.185 54.232 52.037 0.018 0.000 0.628 153 A CB -1.008 17.989 19.000 -0.005 0.000 0.814 153 A HN 1.105 nan 8.150 nan 0.000 0.444 154 A N -0.594 122.234 122.820 0.014 0.000 1.902 154 A HA -0.002 4.314 4.320 -0.006 0.000 0.217 154 A C 2.248 179.838 177.584 0.008 0.000 1.181 154 A CA 1.836 53.879 52.037 0.010 0.000 0.623 154 A CB -0.916 18.094 19.000 0.016 0.000 0.818 154 A HN 0.383 nan 8.150 nan 0.000 0.443 155 V N 0.127 120.049 119.914 0.014 0.000 2.270 155 V HA -0.264 3.852 4.120 -0.006 0.000 0.245 155 V C 2.427 178.514 176.094 -0.011 0.000 1.043 155 V CA 2.069 64.371 62.300 0.004 0.000 1.014 155 V CB -0.716 31.112 31.823 0.009 0.000 0.645 155 V HN 0.573 nan 8.190 nan 0.000 0.447 156 I N 0.815 121.376 120.570 -0.014 0.000 2.264 156 I HA -0.245 3.921 4.170 -0.006 0.000 0.248 156 I C 1.881 177.988 176.117 -0.016 0.000 1.111 156 I CA 1.463 62.748 61.300 -0.025 0.000 1.382 156 I CB -0.465 37.526 38.000 -0.014 0.000 1.060 156 I HN 0.355 nan 8.210 nan 0.000 0.418 157 N N 1.005 119.699 118.700 -0.010 0.000 2.521 157 N HA 0.005 4.742 4.740 -0.006 0.000 0.188 157 N C 1.390 176.894 175.510 -0.009 0.000 1.146 157 N CA 1.006 54.050 53.050 -0.010 0.000 0.893 157 N CB 0.146 38.627 38.487 -0.009 0.000 0.975 157 N HN 0.488 nan 8.380 nan 0.000 0.451 158 G N 0.682 109.477 108.800 -0.009 0.000 2.175 158 G HA2 -0.383 3.574 3.960 -0.006 0.000 0.265 158 G HA3 -0.383 3.574 3.960 -0.006 0.000 0.265 158 G C 1.060 175.958 174.900 -0.004 0.000 0.979 158 G CA 0.805 45.901 45.100 -0.008 0.000 0.663 158 G HN 0.398 nan 8.290 nan 0.000 0.533 159 K N -0.717 119.682 120.400 -0.003 0.000 2.366 159 K HA 0.112 4.429 4.320 -0.006 0.000 0.198 159 K C 0.904 177.505 176.600 0.002 0.000 1.044 159 K CA 0.799 57.085 56.287 -0.001 0.000 0.973 159 K CB 0.095 32.595 32.500 -0.000 0.000 0.767 159 K HN 0.213 nan 8.250 nan 0.000 0.475 160 K N 0.358 120.760 120.400 0.003 0.000 2.527 160 K HA 0.304 4.621 4.320 -0.006 0.000 0.260 160 K C -2.925 173.677 176.600 0.003 0.000 0.937 160 K CA -2.063 54.227 56.287 0.006 0.000 0.826 160 K CB 1.846 34.355 32.500 0.013 0.000 1.359 160 K HN -0.212 nan 8.250 nan 0.000 0.434 161 P HA 0.115 nan 4.420 nan 0.000 0.275 161 P C 0.354 177.656 177.300 0.003 0.000 1.228 161 P CA -0.004 63.096 63.100 -0.000 0.000 0.786 161 P CB 0.997 32.696 31.700 -0.002 0.000 0.927 162 E N 1.241 121.441 120.200 -0.001 0.000 2.204 162 E HA -0.164 4.183 4.350 -0.006 0.000 0.195 162 E C 1.400 178.005 176.600 0.009 0.000 0.990 162 E CA 1.708 58.108 56.400 0.002 0.000 0.821 162 E CB -0.261 29.433 29.700 -0.010 0.000 0.750 162 E HN 0.575 nan 8.360 nan 0.000 0.477 163 T N -1.300 113.257 114.554 0.005 0.000 2.929 163 T HA -0.139 4.208 4.350 -0.006 0.000 0.271 163 T C 1.132 175.834 174.700 0.003 0.000 1.085 163 T CA 1.206 63.309 62.100 0.004 0.000 1.125 163 T CB -0.209 68.658 68.868 -0.001 0.000 0.874 163 T HN 0.038 nan 8.240 nan 0.000 0.494 164 D N 0.976 121.378 120.400 0.005 0.000 2.371 164 D HA 0.127 4.764 4.640 -0.006 0.000 0.221 164 D C 1.490 177.802 176.300 0.019 0.000 0.986 164 D CA 0.318 54.321 54.000 0.004 0.000 0.899 164 D CB -0.164 40.641 40.800 0.008 0.000 0.902 164 D HN 0.438 nan 8.370 nan 0.000 0.530 165 L N 0.218 121.461 121.223 0.033 0.000 2.592 165 L HA 0.165 4.502 4.340 -0.006 0.000 0.227 165 L C 0.172 177.072 176.870 0.049 0.000 1.127 165 L CA 0.262 55.136 54.840 0.055 0.000 0.884 165 L CB 0.094 42.198 42.059 0.076 0.000 1.065 165 L HN -0.187 nan 8.230 nan 0.000 0.457 166 E N -0.040 120.181 120.200 0.036 0.000 2.179 166 E HA 0.224 4.571 4.350 -0.006 0.000 0.275 166 E C -0.835 175.802 176.600 0.062 0.000 0.945 166 E CA -0.866 55.564 56.400 0.051 0.000 0.792 166 E CB 1.736 31.460 29.700 0.039 0.000 1.125 166 E HN -0.085 nan 8.360 nan 0.000 0.397 167 F N 2.647 122.563 119.950 -0.057 0.000 2.572 167 F HA 0.060 4.584 4.527 -0.006 0.000 0.370 167 F C -0.142 175.649 175.800 -0.016 0.000 1.103 167 F CA 0.169 58.135 58.000 -0.056 0.000 1.286 167 F CB 0.407 39.350 39.000 -0.096 0.000 1.105 167 F HN 0.219 nan 8.300 nan 0.000 0.583 168 K N 7.121 127.045 120.400 -0.792 0.000 2.265 168 K HA 0.302 4.619 4.320 -0.006 0.000 0.267 168 K C -0.382 175.699 176.600 -0.864 0.000 0.994 168 K CA -0.869 55.069 56.287 -0.581 0.000 0.860 168 K CB 1.166 33.447 32.500 -0.365 0.000 1.099 168 K HN 0.479 nan 8.250 nan 0.000 0.448 169 M N 3.500 122.891 119.600 -0.349 0.000 2.248 169 M HA 0.010 4.487 4.480 -0.006 0.000 0.343 169 M C -1.502 174.712 176.300 -0.143 0.000 1.243 169 M CA -1.718 53.516 55.300 -0.110 0.000 1.025 169 M CB -0.187 32.438 32.600 0.041 0.000 1.759 169 M HN 0.355 nan 8.290 nan 0.000 0.452 170 P HA 0.030 nan 4.420 nan 0.000 0.236 170 P C 0.655 177.940 177.300 -0.025 0.000 1.172 170 P CA 1.217 64.291 63.100 -0.043 0.000 0.759 170 P CB 0.217 31.930 31.700 0.023 0.000 0.843 171 A N -0.846 121.964 122.820 -0.017 0.000 3.870 171 A HA -0.374 3.943 4.320 -0.006 0.000 0.246 171 A C 1.945 179.532 177.584 0.005 0.000 0.669 171 A CA 1.767 53.799 52.037 -0.009 0.000 1.221 171 A CB -2.556 16.432 19.000 -0.020 0.000 1.199 171 A HN 0.297 nan 8.150 nan 0.000 0.685 172 D N -0.670 119.735 120.400 0.009 0.000 2.149 172 D HA 0.008 4.644 4.640 -0.006 0.000 0.194 172 D C 1.866 178.185 176.300 0.032 0.000 1.001 172 D CA 3.432 57.443 54.000 0.018 0.000 0.849 172 D CB -0.755 40.060 40.800 0.024 0.000 0.939 172 D HN 1.917 nan 8.370 nan 0.000 0.449 173 G N -0.132 108.693 108.800 0.042 0.000 2.199 173 G HA2 -0.322 3.634 3.960 -0.006 0.000 0.254 173 G HA3 -0.322 3.634 3.960 -0.006 0.000 0.254 173 G C 0.585 175.551 174.900 0.110 0.000 0.982 173 G CA 0.319 45.460 45.100 0.068 0.000 0.632 173 G HN 0.495 nan 8.290 nan 0.000 0.529 174 R N 0.916 121.469 120.500 0.088 0.000 2.267 174 R HA 0.489 4.825 4.340 -0.006 0.000 0.319 174 R C 1.913 178.225 176.300 0.022 0.000 1.067 174 R CA 0.195 56.359 56.100 0.107 0.000 0.936 174 R CB 0.131 30.479 30.300 0.079 0.000 1.006 174 R HN 0.583 nan 8.270 nan 0.000 0.452 175 I N 1.669 122.171 120.570 -0.113 0.000 3.645 175 I HA 0.160 4.327 4.170 -0.006 0.000 0.300 175 I C 0.599 176.683 176.117 -0.055 0.000 1.260 175 I CA -0.494 60.681 61.300 -0.210 0.000 1.365 175 I CB 0.105 37.706 38.000 -0.664 0.000 1.077 175 I HN 0.459 nan 8.210 nan 0.000 0.439 176 W N 4.620 125.848 121.300 -0.121 0.000 2.347 176 W HA 0.207 4.864 4.660 -0.006 0.000 0.333 176 W C 1.048 177.515 176.519 -0.087 0.000 1.383 176 W CA 1.758 59.036 57.345 -0.111 0.000 1.283 176 W CB 0.475 29.828 29.460 -0.177 0.000 1.253 176 W HN 0.534 nan 8.180 nan 0.000 0.563 177 G N 3.089 111.591 108.800 -0.496 0.000 2.199 177 G HA2 -0.322 3.635 3.960 -0.006 0.000 0.254 177 G HA3 -0.322 3.635 3.960 -0.006 0.000 0.254 177 G C 0.340 175.141 174.900 -0.164 0.000 0.982 177 G CA 0.555 45.470 45.100 -0.308 0.000 0.632 177 G HN 1.037 nan 8.290 nan 0.000 0.529 178 S N -0.778 114.859 115.700 -0.106 0.000 2.694 178 S HA 0.679 5.146 4.470 -0.006 0.000 0.278 178 S C 0.668 175.256 174.600 -0.020 0.000 1.152 178 S CA 0.090 58.298 58.200 0.014 0.000 1.010 178 S CB 1.326 64.615 63.200 0.149 0.000 1.104 178 S HN 0.237 nan 8.310 nan 0.000 0.547 179 K N 0.013 120.472 120.400 0.098 0.000 2.675 179 K HA 0.174 4.491 4.320 -0.006 0.000 0.213 179 K C -0.898 175.504 176.600 -0.330 0.000 1.074 179 K CA -0.222 56.060 56.287 -0.008 0.000 1.172 179 K CB -0.258 32.304 32.500 0.105 0.000 0.927 179 K HN 0.563 nan 8.250 nan 0.000 0.471 180 Y N 2.698 122.564 120.300 -0.723 0.000 2.721 180 Y HA -0.030 4.517 4.550 -0.006 0.000 0.329 180 Y C -2.291 173.202 175.900 -0.679 0.000 1.211 180 Y CA -1.951 55.416 58.100 -1.222 0.000 1.512 180 Y CB 0.296 38.310 38.460 -0.743 0.000 1.249 180 Y HN 0.114 nan 8.280 nan 0.000 0.549 181 P HA 0.057 nan 4.420 nan 0.000 0.269 181 P C -1.197 175.801 177.300 -0.503 0.000 1.215 181 P CA -0.120 62.614 63.100 -0.611 0.000 0.780 181 P CB 0.400 31.785 31.700 -0.524 0.000 0.898 182 R N 3.290 123.619 120.500 -0.285 0.000 2.490 182 R HA 0.274 4.611 4.340 -0.006 0.000 0.280 182 R C -2.048 174.152 176.300 -0.167 0.000 1.077 182 R CA -1.373 54.597 56.100 -0.216 0.000 1.065 182 R CB -0.613 29.564 30.300 -0.204 0.000 1.003 182 R HN 0.254 nan 8.270 nan 0.000 0.470 183 P HA -0.196 nan 4.420 nan 0.000 0.216 183 P C 0.918 178.242 177.300 0.041 0.000 1.150 183 P CA 1.847 64.946 63.100 -0.001 0.000 0.843 183 P CB 0.039 31.805 31.700 0.111 0.000 0.787 184 T N -4.226 110.332 114.554 0.007 0.000 3.148 184 T HA 0.245 4.592 4.350 -0.006 0.000 0.253 184 T C 1.724 176.465 174.700 0.069 0.000 1.134 184 T CA 0.564 62.716 62.100 0.087 0.000 1.051 184 T CB -0.699 68.225 68.868 0.093 0.000 0.959 184 T HN -0.014 nan 8.240 nan 0.000 0.525 185 A N 1.449 124.283 122.820 0.023 0.000 1.902 185 A HA 0.064 4.381 4.320 -0.006 0.000 0.217 185 A C 2.507 180.132 177.584 0.069 0.000 1.181 185 A CA 1.397 53.462 52.037 0.047 0.000 0.623 185 A CB -1.097 17.908 19.000 0.009 0.000 0.818 185 A HN 0.400 nan 8.150 nan 0.000 0.443 186 V N -0.093 119.850 119.914 0.048 0.000 2.287 186 V HA -0.284 3.832 4.120 -0.006 0.000 0.248 186 V C 3.083 179.212 176.094 0.058 0.000 1.053 186 V CA 2.058 64.388 62.300 0.051 0.000 1.027 186 V CB -1.232 30.614 31.823 0.037 0.000 0.646 186 V HN 0.632 nan 8.190 nan 0.000 0.447 187 A N -0.278 122.583 122.820 0.067 0.000 1.883 187 A HA -0.283 4.034 4.320 -0.006 0.000 0.217 187 A C 2.265 179.891 177.584 0.071 0.000 1.186 187 A CA 2.251 54.326 52.037 0.064 0.000 0.624 187 A CB -0.483 18.564 19.000 0.078 0.000 0.822 187 A HN 0.569 nan 8.150 nan 0.000 0.444 188 K N -0.344 120.116 120.400 0.101 0.000 2.057 188 K HA -0.107 4.209 4.320 -0.006 0.000 0.207 188 K C 1.803 178.457 176.600 0.090 0.000 1.049 188 K CA 1.654 58.026 56.287 0.141 0.000 0.931 188 K CB -0.452 32.162 32.500 0.190 0.000 0.714 188 K HN 0.540 nan 8.250 nan 0.000 0.440 189 V N -0.736 119.217 119.914 0.064 0.000 3.217 189 V HA -0.057 4.059 4.120 -0.006 0.000 0.264 189 V C 1.622 177.698 176.094 -0.029 0.000 1.135 189 V CA 1.676 63.972 62.300 -0.007 0.000 1.142 189 V CB -0.692 31.149 31.823 0.030 0.000 0.754 189 V HN 0.346 nan 8.190 nan 0.000 0.484 190 T N -3.557 111.000 114.554 0.006 0.000 3.054 190 T HA 0.434 4.780 4.350 -0.006 0.000 0.255 190 T C 1.573 176.271 174.700 -0.002 0.000 1.035 190 T CA 0.545 62.644 62.100 -0.001 0.000 0.941 190 T CB 0.223 69.100 68.868 0.015 0.000 1.026 190 T HN 1.525 nan 8.240 nan 0.000 0.533 191 G N 2.076 110.883 108.800 0.011 0.000 2.221 191 G HA2 -0.289 3.667 3.960 -0.006 0.000 0.265 191 G HA3 -0.289 3.667 3.960 -0.006 0.000 0.265 191 G C 0.624 175.540 174.900 0.027 0.000 1.041 191 G CA 0.709 45.823 45.100 0.022 0.000 0.807 191 G HN 1.023 nan 8.290 nan 0.000 0.502 192 T N -3.045 111.523 114.554 0.024 0.000 3.085 192 T HA 0.546 4.893 4.350 -0.006 0.000 0.264 192 T C 0.609 175.302 174.700 -0.012 0.000 1.019 192 T CA 0.092 62.197 62.100 0.007 0.000 0.910 192 T CB 0.716 69.589 68.868 0.009 0.000 1.059 192 T HN 0.679 nan 8.240 nan 0.000 0.542 193 L N 2.999 124.207 121.223 -0.025 0.000 2.260 193 L HA 0.465 4.802 4.340 -0.006 0.000 0.289 193 L C -1.112 175.621 176.870 -0.228 0.000 1.057 193 L CA -0.358 54.396 54.840 -0.142 0.000 0.811 193 L CB 0.570 42.514 42.059 -0.191 0.000 1.184 193 L HN 0.034 nan 8.230 nan 0.000 0.429 194 D N 5.211 125.484 120.400 -0.211 0.000 2.339 194 D HA 0.150 4.786 4.640 -0.006 0.000 0.241 194 D C -0.343 175.859 176.300 -0.163 0.000 1.183 194 D CA 0.251 54.182 54.000 -0.114 0.000 0.859 194 D CB 0.331 41.090 40.800 -0.069 0.000 1.067 194 D HN 0.358 nan 8.370 nan 0.000 0.484 195 Y N 0.112 120.487 120.300 0.124 0.000 2.289 195 Y HA 0.276 4.822 4.550 -0.006 0.000 0.332 195 Y C 2.095 178.114 175.900 0.198 0.000 1.324 195 Y CA -0.551 57.654 58.100 0.176 0.000 1.478 195 Y CB 0.432 39.082 38.460 0.317 0.000 1.378 195 Y HN 0.388 nan 8.280 nan 0.000 0.558 196 G N 0.002 109.040 108.800 0.397 0.000 2.469 196 G HA2 -0.292 3.665 3.960 -0.006 0.000 0.219 196 G HA3 -0.292 3.665 3.960 -0.006 0.000 0.219 196 G C 1.652 176.842 174.900 0.483 0.000 1.150 196 G CA 1.120 46.473 45.100 0.422 0.000 0.763 196 G HN 0.751 nan 8.290 nan 0.000 0.561 197 A N 0.920 123.985 122.820 0.407 0.000 1.930 197 A HA -0.001 4.316 4.320 -0.006 0.000 0.217 197 A C 2.081 179.780 177.584 0.193 0.000 1.175 197 A CA 1.952 54.199 52.037 0.350 0.000 0.627 197 A CB -0.286 18.902 19.000 0.314 0.000 0.815 197 A HN 0.305 nan 8.150 nan 0.000 0.443 198 D N 0.447 120.975 120.400 0.214 0.000 2.117 198 D HA -0.135 4.502 4.640 -0.006 0.000 0.197 198 D C 1.953 178.264 176.300 0.019 0.000 0.987 198 D CA 1.102 55.170 54.000 0.115 0.000 0.829 198 D CB -0.442 40.448 40.800 0.151 0.000 0.961 198 D HN 0.457 nan 8.370 nan 0.000 0.460 199 L N 0.894 122.137 121.223 0.033 0.000 2.042 199 L HA -0.113 4.224 4.340 -0.006 0.000 0.210 199 L C 2.680 179.376 176.870 -0.291 0.000 1.076 199 L CA 1.464 56.233 54.840 -0.118 0.000 0.749 199 L CB -0.862 41.157 42.059 -0.066 0.000 0.893 199 L HN 0.091 nan 8.230 nan 0.000 0.432 200 G N 0.137 108.750 108.800 -0.313 0.000 2.469 200 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.220 200 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.220 200 G C 1.591 176.285 174.900 -0.343 0.000 1.136 200 G CA 0.647 45.305 45.100 -0.736 0.000 0.759 200 G HN 0.274 nan 8.290 nan 0.000 0.562 201 L N -0.600 120.506 121.223 -0.193 0.000 2.291 201 L HA 0.071 4.407 4.340 -0.006 0.000 0.214 201 L C 2.208 179.015 176.870 -0.105 0.000 1.120 201 L CA 0.880 55.654 54.840 -0.109 0.000 0.799 201 L CB -0.067 41.956 42.059 -0.061 0.000 0.925 201 L HN 0.213 nan 8.230 nan 0.000 0.446 202 K N -0.679 119.638 120.400 -0.138 0.000 2.397 202 K HA 0.247 4.564 4.320 -0.006 0.000 0.202 202 K C 0.294 176.793 176.600 -0.169 0.000 1.022 202 K CA -0.171 56.039 56.287 -0.129 0.000 1.141 202 K CB 0.473 32.905 32.500 -0.113 0.000 0.857 202 K HN 0.197 nan 8.250 nan 0.000 0.514 203 M N 1.970 121.445 119.600 -0.208 0.000 2.291 203 M HA 0.210 4.687 4.480 -0.006 0.000 0.324 203 M C -2.050 174.162 176.300 -0.147 0.000 1.148 203 M CA -1.974 53.188 55.300 -0.230 0.000 1.104 203 M CB 0.356 32.767 32.600 -0.314 0.000 1.483 203 M HN -0.120 nan 8.290 nan 0.000 0.467 204 P HA 0.231 nan 4.420 nan 0.000 0.274 204 P C -1.130 176.135 177.300 -0.059 0.000 1.237 204 P CA -0.514 62.530 63.100 -0.094 0.000 0.793 204 P CB 0.225 31.867 31.700 -0.098 0.000 0.977 205 A N 0.797 123.596 122.820 -0.035 0.000 2.555 205 A HA 0.377 4.693 4.320 -0.006 0.000 0.233 205 A C 1.490 179.064 177.584 -0.016 0.000 1.060 205 A CA 0.980 53.010 52.037 -0.011 0.000 0.759 205 A CB -1.389 17.605 19.000 -0.009 0.000 0.995 205 A HN 0.968 nan 8.150 nan 0.000 0.506 206 G N 0.926 109.726 108.800 0.000 0.000 2.258 206 G HA2 -0.209 3.748 3.960 -0.006 0.000 0.233 206 G HA3 -0.209 3.748 3.960 -0.006 0.000 0.233 206 G C 0.540 175.418 174.900 -0.036 0.000 1.006 206 G CA 0.423 45.517 45.100 -0.010 0.000 0.620 206 G HN 1.310 nan 8.290 nan 0.000 0.511 207 T N 2.429 116.950 114.554 -0.055 0.000 2.902 207 T HA 0.465 4.812 4.350 -0.006 0.000 0.301 207 T C 0.674 175.295 174.700 -0.131 0.000 1.012 207 T CA 0.275 62.305 62.100 -0.117 0.000 1.151 207 T CB 0.934 69.689 68.868 -0.189 0.000 0.946 207 T HN 0.360 nan 8.240 nan 0.000 0.542 208 L N 4.427 125.560 121.223 -0.150 0.000 2.312 208 L HA 0.368 4.705 4.340 -0.006 0.000 0.281 208 L C 0.706 177.470 176.870 -0.176 0.000 1.070 208 L CA -0.795 53.984 54.840 -0.101 0.000 0.805 208 L CB 0.665 42.647 42.059 -0.128 0.000 1.174 208 L HN 0.600 nan 8.230 nan 0.000 0.434 209 H N 4.443 123.548 119.070 0.058 0.000 2.458 209 H HA 0.472 5.025 4.556 -0.006 0.000 0.330 209 H C -0.581 174.808 175.328 0.101 0.000 1.111 209 H CA -0.596 55.516 56.048 0.105 0.000 1.245 209 H CB 1.946 31.760 29.762 0.087 0.000 1.456 209 H HN 0.354 nan 8.280 nan 0.000 0.488 210 L N 1.747 123.094 121.223 0.207 0.000 2.331 210 L HA 0.658 4.995 4.340 -0.006 0.000 0.275 210 L C 0.199 177.157 176.870 0.147 0.000 1.022 210 L CA -0.933 53.996 54.840 0.148 0.000 0.812 210 L CB 1.647 43.780 42.059 0.124 0.000 1.257 210 L HN 0.560 nan 8.230 nan 0.000 0.435 211 A N 3.321 126.202 122.820 0.102 0.000 2.414 211 A HA 0.786 5.102 4.320 -0.006 0.000 0.306 211 A C -0.667 176.937 177.584 0.034 0.000 1.054 211 A CA -0.685 51.394 52.037 0.070 0.000 0.724 211 A CB 1.580 20.616 19.000 0.061 0.000 1.267 211 A HN 0.719 nan 8.150 nan 0.000 0.418 212 M N 2.033 121.629 119.600 -0.007 0.000 2.180 212 M HA 0.292 4.769 4.480 -0.006 0.000 0.358 212 M C -0.682 175.581 176.300 -0.062 0.000 1.233 212 M CA -0.454 54.819 55.300 -0.044 0.000 1.114 212 M CB 1.389 33.922 32.600 -0.112 0.000 1.594 212 M HN 0.368 nan 8.290 nan 0.000 0.467 213 V N 4.469 124.349 119.914 -0.056 0.000 2.368 213 V HA 0.193 4.310 4.120 -0.006 0.000 0.266 213 V C -0.070 175.950 176.094 -0.124 0.000 1.045 213 V CA -0.323 61.935 62.300 -0.070 0.000 0.899 213 V CB 0.534 32.334 31.823 -0.038 0.000 1.006 213 V HN 0.821 nan 8.190 nan 0.000 0.470 214 Q N 2.812 122.509 119.800 -0.172 0.000 2.345 214 Q HA 0.742 5.079 4.340 -0.006 0.000 0.268 214 Q C -0.083 175.751 176.000 -0.277 0.000 1.054 214 Q CA -0.807 54.832 55.803 -0.272 0.000 0.835 214 Q CB 2.392 30.916 28.738 -0.357 0.000 1.339 214 Q HN 0.829 nan 8.270 nan 0.000 0.447 215 A N 1.932 124.572 122.820 -0.301 0.000 2.511 215 A HA 0.073 4.389 4.320 -0.006 0.000 0.242 215 A C 0.211 177.499 177.584 -0.492 0.000 1.069 215 A CA 0.123 51.990 52.037 -0.283 0.000 0.763 215 A CB 0.202 19.083 19.000 -0.198 0.000 1.001 215 A HN 0.547 nan 8.150 nan 0.000 0.498 216 K N 1.244 121.443 120.400 -0.336 0.000 2.455 216 K HA 0.234 4.551 4.320 -0.006 0.000 0.206 216 K C 0.011 176.607 176.600 -0.008 0.000 1.027 216 K CA 0.371 56.458 56.287 -0.334 0.000 1.113 216 K CB -0.175 32.259 32.500 -0.110 0.000 0.850 216 K HN 0.725 nan 8.250 nan 0.000 0.503 217 V N -3.730 116.178 119.914 -0.010 0.000 3.102 217 V HA 0.460 4.576 4.120 -0.006 0.000 0.312 217 V C 0.930 177.115 176.094 0.152 0.000 1.135 217 V CA -0.802 61.571 62.300 0.122 0.000 1.022 217 V CB 2.036 33.886 31.823 0.044 0.000 1.056 217 V HN -0.113 nan 8.190 nan 0.000 0.436 218 S N -0.317 115.485 115.700 0.170 0.000 2.496 218 S HA 0.187 4.653 4.470 -0.006 0.000 0.224 218 S C 0.291 174.999 174.600 0.180 0.000 0.996 218 S CA 0.857 59.160 58.200 0.170 0.000 0.927 218 S CB -0.504 62.760 63.200 0.106 0.000 0.774 218 S HN 0.936 nan 8.310 nan 0.000 0.524 219 H N -0.819 118.252 119.070 0.001 0.000 3.087 219 H HA 0.562 5.116 4.556 -0.004 0.000 0.348 219 H C -1.479 173.804 175.328 -0.077 0.000 1.092 219 H CA -0.403 55.622 56.048 -0.038 0.000 1.285 219 H CB 1.253 31.002 29.762 -0.023 0.000 1.875 219 H HN 0.217 nan 8.280 nan 0.000 0.512 220 A N 4.009 126.740 122.820 -0.147 0.000 2.608 220 A HA 0.323 4.640 4.320 -0.006 0.000 0.292 220 A C -1.539 175.894 177.584 -0.253 0.000 1.066 220 A CA -1.014 50.891 52.037 -0.221 0.000 0.676 220 A CB 1.715 20.640 19.000 -0.126 0.000 1.277 220 A HN 0.674 nan 8.150 nan 0.000 0.413 221 N N 0.923 119.499 118.700 -0.207 0.000 2.434 221 N HA 0.457 5.194 4.740 -0.006 0.000 0.272 221 N C -0.738 174.699 175.510 -0.122 0.000 1.040 221 N CA -0.025 52.929 53.050 -0.161 0.000 0.956 221 N CB 1.139 39.551 38.487 -0.125 0.000 1.108 221 N HN 0.579 nan 8.380 nan 0.000 0.481 222 I N 2.199 122.698 120.570 -0.118 0.000 2.395 222 I HA 0.106 4.273 4.170 -0.006 0.000 0.289 222 I C 1.468 177.548 176.117 -0.061 0.000 1.023 222 I CA -0.082 61.166 61.300 -0.087 0.000 1.350 222 I CB 1.073 39.020 38.000 -0.090 0.000 1.409 222 I HN 0.356 nan 8.210 nan 0.000 0.507 223 K N 3.806 124.180 120.400 -0.043 0.000 2.313 223 K HA 0.336 4.653 4.320 -0.006 0.000 0.197 223 K C 0.668 177.263 176.600 -0.009 0.000 1.061 223 K CA -0.021 56.250 56.287 -0.027 0.000 0.980 223 K CB 0.800 33.284 32.500 -0.027 0.000 0.888 223 K HN 0.851 nan 8.250 nan 0.000 0.502 224 G N 0.586 109.383 108.800 -0.005 0.000 2.451 224 G HA2 0.495 4.451 3.960 -0.006 0.000 0.292 224 G HA3 0.495 4.451 3.960 -0.006 0.000 0.292 224 G C -1.920 172.987 174.900 0.012 0.000 1.427 224 G CA -0.858 44.250 45.100 0.013 0.000 0.792 224 G HN -0.010 nan 8.290 nan 0.000 0.498 225 I N 0.698 121.280 120.570 0.021 0.000 2.499 225 I HA 0.358 4.524 4.170 -0.006 0.000 0.288 225 I C -1.556 174.566 176.117 0.007 0.000 1.048 225 I CA -0.624 60.684 61.300 0.014 0.000 1.062 225 I CB 2.503 40.520 38.000 0.028 0.000 1.238 225 I HN 0.410 nan 8.210 nan 0.000 0.426 226 D N 3.696 124.097 120.400 0.001 0.000 2.414 226 D HA 0.248 4.884 4.640 -0.006 0.000 0.232 226 D C 0.770 177.070 176.300 -0.000 0.000 1.070 226 D CA -0.395 53.605 54.000 -0.000 0.000 0.839 226 D CB 1.456 42.254 40.800 -0.002 0.000 1.079 226 D HN 0.629 nan 8.370 nan 0.000 0.521 227 T N -0.187 114.366 114.554 -0.000 0.000 3.086 227 T HA 0.013 4.359 4.350 -0.006 0.000 0.250 227 T C 1.659 176.359 174.700 0.000 0.000 1.074 227 T CA 0.519 62.620 62.100 0.001 0.000 0.988 227 T CB -0.185 68.685 68.868 0.002 0.000 0.988 227 T HN 0.235 nan 8.240 nan 0.000 0.530 228 S N 2.190 117.889 115.700 -0.001 0.000 2.359 228 S HA -0.246 4.220 4.470 -0.006 0.000 0.223 228 S C 1.954 176.554 174.600 -0.001 0.000 1.039 228 S CA 1.408 59.606 58.200 -0.002 0.000 1.042 228 S CB -0.716 62.482 63.200 -0.003 0.000 0.915 228 S HN 0.677 nan 8.310 nan 0.000 0.439 229 E N 1.716 121.917 120.200 0.001 0.000 2.106 229 E HA -0.065 4.281 4.350 -0.006 0.000 0.192 229 E C 2.215 178.818 176.600 0.005 0.000 0.984 229 E CA 0.837 57.238 56.400 0.002 0.000 0.806 229 E CB -0.478 29.224 29.700 0.002 0.000 0.750 229 E HN 0.644 nan 8.360 nan 0.000 0.458 230 A N 1.219 124.043 122.820 0.007 0.000 1.908 230 A HA -0.176 4.141 4.320 -0.006 0.000 0.218 230 A C 2.174 179.767 177.584 0.014 0.000 1.181 230 A CA 1.220 53.264 52.037 0.012 0.000 0.627 230 A CB -0.739 18.269 19.000 0.014 0.000 0.818 230 A HN 0.327 nan 8.150 nan 0.000 0.445 231 L N 0.018 121.246 121.223 0.008 0.000 2.265 231 L HA -0.137 4.200 4.340 -0.006 0.000 0.215 231 L C 2.599 179.471 176.870 0.003 0.000 1.117 231 L CA 1.621 56.463 54.840 0.004 0.000 0.782 231 L CB -0.695 41.360 42.059 -0.006 0.000 0.914 231 L HN 0.678 nan 8.230 nan 0.000 0.441 232 T N -4.228 110.328 114.554 0.004 0.000 3.107 232 T HA 0.172 4.518 4.350 -0.006 0.000 0.249 232 T C 0.765 175.469 174.700 0.008 0.000 1.096 232 T CA -0.141 61.961 62.100 0.003 0.000 1.012 232 T CB 0.033 68.902 68.868 0.002 0.000 0.977 232 T HN 0.023 nan 8.240 nan 0.000 0.527 233 M N 2.058 121.666 119.600 0.013 0.000 2.255 233 M HA 0.372 4.849 4.480 -0.006 0.000 0.336 233 M C -2.354 173.958 176.300 0.020 0.000 1.135 233 M CA -2.276 53.033 55.300 0.016 0.000 1.145 233 M CB 0.492 33.102 32.600 0.018 0.000 1.473 233 M HN -0.140 nan 8.290 nan 0.000 0.462 234 P HA 0.016 nan 4.420 nan 0.000 0.262 234 P C 0.599 177.917 177.300 0.031 0.000 1.182 234 P CA 0.931 64.044 63.100 0.021 0.000 0.761 234 P CB 0.315 32.025 31.700 0.017 0.000 0.795 235 G N 1.429 110.250 108.800 0.036 0.000 2.184 235 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.264 235 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.264 235 G C 0.160 175.105 174.900 0.074 0.000 0.975 235 G CA -0.010 45.121 45.100 0.051 0.000 0.642 235 G HN 0.537 nan 8.290 nan 0.000 0.536 236 V N 1.966 121.919 119.914 0.066 0.000 2.508 236 V HA 0.316 4.433 4.120 -0.006 0.000 0.281 236 V C 1.607 177.762 176.094 0.101 0.000 1.041 236 V CA 0.256 62.605 62.300 0.083 0.000 1.016 236 V CB 1.417 33.273 31.823 0.055 0.000 0.984 236 V HN 0.445 nan 8.190 nan 0.000 0.478 237 H N 3.707 122.797 119.070 0.034 0.000 2.361 237 H HA 0.143 4.695 4.556 -0.006 0.000 0.308 237 H C 0.740 176.082 175.328 0.024 0.000 1.053 237 H CA 1.180 57.246 56.048 0.030 0.000 1.377 237 H CB 1.183 30.967 29.762 0.037 0.000 1.434 237 H HN 0.758 nan 8.280 nan 0.000 0.548 238 S N -0.544 115.267 115.700 0.184 0.000 2.636 238 S HA 0.464 4.931 4.470 -0.006 0.000 0.266 238 S C -1.512 173.152 174.600 0.106 0.000 1.147 238 S CA -0.832 57.430 58.200 0.104 0.000 0.815 238 S CB 2.179 65.482 63.200 0.171 0.000 1.119 238 S HN 0.001 nan 8.310 nan 0.000 0.470 239 V N 1.313 121.264 119.914 0.062 0.000 2.540 239 V HA 0.549 4.666 4.120 -0.006 0.000 0.302 239 V C -0.684 175.433 176.094 0.039 0.000 1.035 239 V CA -0.618 61.712 62.300 0.050 0.000 0.873 239 V CB 1.419 33.259 31.823 0.029 0.000 0.992 239 V HN 0.847 nan 8.190 nan 0.000 0.428 240 I N 4.613 125.208 120.570 0.042 0.000 2.359 240 I HA 0.587 4.754 4.170 -0.006 0.000 0.294 240 I C 0.566 176.695 176.117 0.019 0.000 0.987 240 I CA 0.065 61.383 61.300 0.030 0.000 1.225 240 I CB 1.972 39.997 38.000 0.041 0.000 1.366 240 I HN 0.854 nan 8.210 nan 0.000 0.466 241 T N -0.107 114.442 114.554 -0.009 0.000 2.773 241 T HA 0.278 4.625 4.350 -0.006 0.000 0.278 241 T C 1.015 175.698 174.700 -0.028 0.000 1.011 241 T CA -0.486 61.612 62.100 -0.003 0.000 1.014 241 T CB 0.977 69.825 68.868 -0.034 0.000 1.293 241 T HN 0.753 nan 8.240 nan 0.000 0.554 242 H N 0.092 119.171 119.070 0.014 0.000 2.460 242 H HA 0.070 4.622 4.556 -0.007 0.000 0.297 242 H C 1.609 176.945 175.328 0.012 0.000 1.103 242 H CA 1.556 57.614 56.048 0.015 0.000 1.292 242 H CB -0.336 29.436 29.762 0.018 0.000 1.376 242 H HN 0.554 nan 8.280 nan 0.000 0.531 243 K N 0.226 120.257 120.400 -0.616 0.000 2.280 243 K HA -0.104 4.213 4.320 -0.006 0.000 0.202 243 K C 0.810 177.326 176.600 -0.140 0.000 1.047 243 K CA 1.294 57.358 56.287 -0.371 0.000 0.942 243 K CB 0.146 32.429 32.500 -0.362 0.000 0.739 243 K HN 0.566 nan 8.250 nan 0.000 0.457 244 D N 0.579 120.922 120.400 -0.095 0.000 2.339 244 D HA -0.003 4.633 4.640 -0.006 0.000 0.217 244 D C 0.021 176.314 176.300 -0.010 0.000 1.050 244 D CA 0.291 54.270 54.000 -0.036 0.000 0.856 244 D CB 0.450 41.239 40.800 -0.017 0.000 0.922 244 D HN -0.095 nan 8.370 nan 0.000 0.518 245 V N 1.625 121.538 119.914 -0.001 0.000 2.530 245 V HA 0.044 4.160 4.120 -0.006 0.000 0.282 245 V C 1.333 177.434 176.094 0.012 0.000 1.048 245 V CA 0.035 62.345 62.300 0.017 0.000 0.997 245 V CB 1.695 33.544 31.823 0.043 0.000 0.987 245 V HN -0.088 nan 8.190 nan 0.000 0.477 246 K N 2.830 123.234 120.400 0.007 0.000 2.367 246 K HA 0.259 4.576 4.320 -0.006 0.000 0.194 246 K C 0.978 177.578 176.600 0.001 0.000 1.027 246 K CA 0.431 56.720 56.287 0.002 0.000 1.075 246 K CB 0.715 33.215 32.500 -0.001 0.000 0.845 246 K HN 0.840 nan 8.250 nan 0.000 0.529 247 G N 0.592 109.396 108.800 0.006 0.000 3.135 247 G HA2 0.110 4.066 3.960 -0.006 0.000 0.159 247 G HA3 0.110 4.066 3.960 -0.006 0.000 0.159 247 G C 0.081 174.984 174.900 0.004 0.000 1.244 247 G CA -0.462 44.641 45.100 0.004 0.000 0.965 247 G HN -0.119 nan 8.290 nan 0.000 0.599 248 K N 0.021 120.421 120.400 0.000 0.000 2.362 248 K HA -0.064 4.253 4.320 -0.006 0.000 0.200 248 K C 0.878 177.492 176.600 0.023 0.000 1.046 248 K CA 0.844 57.118 56.287 -0.022 0.000 0.952 248 K CB -0.045 32.407 32.500 -0.081 0.000 0.753 248 K HN 0.437 nan 8.250 nan 0.000 0.466 249 N N 0.934 119.661 118.700 0.046 0.000 2.725 249 N HA -0.167 4.570 4.740 -0.006 0.000 0.249 249 N C -1.470 174.076 175.510 0.059 0.000 1.103 249 N CA 0.695 53.777 53.050 0.054 0.000 0.707 249 N CB -0.418 38.113 38.487 0.072 0.000 1.043 249 N HN 0.084 nan 8.380 nan 0.000 0.553 250 R N 0.020 120.579 120.500 0.098 0.000 2.673 250 R HA 0.484 4.821 4.340 -0.006 0.000 0.281 250 R C -0.153 176.218 176.300 0.119 0.000 0.991 250 R CA -0.721 55.455 56.100 0.126 0.000 0.896 250 R CB 0.940 31.409 30.300 0.282 0.000 1.201 250 R HN 0.199 nan 8.270 nan 0.000 0.457 251 I N 0.941 121.476 120.570 -0.058 0.000 2.365 251 I HA 0.145 4.311 4.170 -0.006 0.000 0.291 251 I C 0.959 176.879 176.117 -0.329 0.000 1.004 251 I CA -0.165 61.031 61.300 -0.174 0.000 1.311 251 I CB 1.715 39.561 38.000 -0.257 0.000 1.401 251 I HN 0.361 nan 8.210 nan 0.000 0.491 252 T N 4.036 118.253 114.554 -0.562 0.000 2.845 252 T HA 0.278 4.625 4.350 -0.006 0.000 0.288 252 T C 1.278 175.608 174.700 -0.617 0.000 0.980 252 T CA -0.293 61.227 62.100 -0.967 0.000 1.071 252 T CB 1.295 69.160 68.868 -1.670 0.000 0.941 252 T HN 0.806 nan 8.240 nan 0.000 0.487 253 G N 3.265 111.700 108.800 -0.607 0.000 2.498 253 G HA2 -0.020 3.937 3.960 -0.006 0.000 0.219 253 G HA3 -0.020 3.937 3.960 -0.006 0.000 0.219 253 G C 1.162 175.811 174.900 -0.419 0.000 1.119 253 G CA 0.936 45.701 45.100 -0.559 0.000 0.766 253 G HN 0.975 nan 8.290 nan 0.000 0.552 254 L N -1.206 119.794 121.223 -0.371 0.000 3.417 254 L HA -0.266 4.070 4.340 -0.006 0.000 0.368 254 L C 1.433 178.267 176.870 -0.060 0.000 0.810 254 L CA 2.584 57.311 54.840 -0.188 0.000 3.108 254 L CB -1.011 41.007 42.059 -0.068 0.000 0.687 254 L HN 0.510 nan 8.230 nan 0.000 0.756 255 I N -2.830 117.755 120.570 0.025 0.000 3.816 255 I HA 0.333 4.500 4.170 -0.006 0.000 0.334 255 I C 0.435 176.653 176.117 0.167 0.000 1.551 255 I CA -0.143 61.232 61.300 0.124 0.000 1.153 255 I CB 0.201 38.351 38.000 0.251 0.000 1.197 255 I HN 0.097 nan 8.210 nan 0.000 0.439 256 T N 2.377 116.946 114.554 0.024 0.000 2.891 256 T HA 0.027 4.374 4.350 -0.006 0.000 0.296 256 T C 0.093 174.916 174.700 0.204 0.000 1.025 256 T CA 0.582 62.692 62.100 0.017 0.000 1.149 256 T CB -0.116 68.699 68.868 -0.088 0.000 1.007 256 T HN 0.190 nan 8.240 nan 0.000 0.528 257 F N 3.977 123.866 119.950 -0.102 0.000 2.518 257 F HA 0.121 4.645 4.527 -0.005 0.000 0.359 257 F C -0.932 174.881 175.800 0.022 0.000 1.118 257 F CA -2.452 55.517 58.000 -0.050 0.000 1.287 257 F CB 0.659 39.596 39.000 -0.106 0.000 1.132 257 F HN 0.482 nan 8.300 nan 0.000 0.587 258 P HA -0.164 nan 4.420 nan 0.000 0.218 258 P C 1.290 178.697 177.300 0.179 0.000 1.148 258 P CA 1.548 64.726 63.100 0.131 0.000 0.822 258 P CB -0.164 31.574 31.700 0.064 0.000 0.784 259 T N -5.472 109.247 114.554 0.275 0.000 3.148 259 T HA 0.016 4.363 4.350 -0.006 0.000 0.253 259 T C 0.928 175.864 174.700 0.393 0.000 1.134 259 T CA -0.287 61.985 62.100 0.286 0.000 1.051 259 T CB -0.903 68.118 68.868 0.255 0.000 0.959 259 T HN -0.055 nan 8.240 nan 0.000 0.525 260 N N 2.103 121.066 118.700 0.439 0.000 2.412 260 N HA 0.021 4.758 4.740 -0.006 0.000 0.258 260 N C 0.747 176.397 175.510 0.233 0.000 1.236 260 N CA 0.258 53.532 53.050 0.372 0.000 0.882 260 N CB 0.853 39.437 38.487 0.162 0.000 1.066 260 N HN 0.423 nan 8.380 nan 0.000 0.465 261 K N 1.384 121.926 120.400 0.236 0.000 2.432 261 K HA 0.064 4.381 4.320 -0.006 0.000 0.196 261 K C 1.021 177.678 176.600 0.095 0.000 1.038 261 K CA 0.207 56.585 56.287 0.152 0.000 0.986 261 K CB 0.210 32.803 32.500 0.155 0.000 0.782 261 K HN 0.516 nan 8.250 nan 0.000 0.485 262 G N 1.522 110.349 108.800 0.044 0.000 2.410 262 G HA2 0.088 4.044 3.960 -0.006 0.000 0.330 262 G HA3 0.088 4.044 3.960 -0.006 0.000 0.330 262 G C -0.159 174.714 174.900 -0.044 0.000 1.142 262 G CA -0.542 44.522 45.100 -0.060 0.000 0.902 262 G HN 0.104 nan 8.290 nan 0.000 0.491 263 D N -1.109 119.284 120.400 -0.013 0.000 2.349 263 D HA 0.156 4.793 4.640 -0.006 0.000 0.224 263 D C 1.698 178.010 176.300 0.020 0.000 1.029 263 D CA 0.610 54.655 54.000 0.075 0.000 0.879 263 D CB -0.079 40.833 40.800 0.187 0.000 0.906 263 D HN 1.018 nan 8.370 nan 0.000 0.528 264 G N -0.445 108.269 108.800 -0.143 0.000 2.162 264 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.260 264 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.260 264 G C 0.219 174.886 174.900 -0.387 0.000 0.976 264 G CA 0.185 45.100 45.100 -0.309 0.000 0.655 264 G HN 0.383 nan 8.290 nan 0.000 0.533 265 W N 1.417 122.604 121.300 -0.188 0.000 3.067 265 W HA 0.324 4.980 4.660 -0.006 0.000 0.417 265 W C 1.620 178.016 176.519 -0.205 0.000 1.029 265 W CA 0.137 57.382 57.345 -0.167 0.000 1.992 265 W CB 0.376 29.770 29.460 -0.111 0.000 1.122 265 W HN 0.399 nan 8.180 nan 0.000 0.681 266 D N 0.407 120.718 120.400 -0.149 0.000 2.224 266 D HA -0.105 4.531 4.640 -0.006 0.000 0.205 266 D C 0.835 176.998 176.300 -0.228 0.000 0.965 266 D CA 0.380 54.182 54.000 -0.330 0.000 0.852 266 D CB -0.173 40.147 40.800 -0.800 0.000 0.947 266 D HN 0.186 nan 8.370 nan 0.000 0.494 267 R N 2.137 122.479 120.500 -0.263 0.000 2.216 267 R HA 0.228 4.564 4.340 -0.006 0.000 0.332 267 R C -2.493 173.609 176.300 -0.330 0.000 1.056 267 R CA -1.460 54.315 56.100 -0.543 0.000 0.901 267 R CB 1.033 30.833 30.300 -0.833 0.000 1.039 267 R HN -0.041 nan 8.270 nan 0.000 0.456 268 P HA 0.063 nan 4.420 nan 0.000 0.276 268 P C 0.315 177.543 177.300 -0.120 0.000 1.252 268 P CA -0.139 62.932 63.100 -0.049 0.000 0.802 268 P CB 0.990 32.754 31.700 0.107 0.000 1.035 269 I N -0.188 120.357 120.570 -0.042 0.000 2.296 269 I HA -0.007 4.159 4.170 -0.006 0.000 0.242 269 I C 0.888 177.017 176.117 0.020 0.000 1.087 269 I CA 1.103 62.382 61.300 -0.035 0.000 1.393 269 I CB -0.075 37.918 38.000 -0.011 0.000 1.093 269 I HN 0.131 nan 8.210 nan 0.000 0.421 270 L N 0.451 121.708 121.223 0.057 0.000 2.341 270 L HA 0.341 4.678 4.340 -0.006 0.000 0.278 270 L C -0.596 176.325 176.870 0.085 0.000 1.005 270 L CA -0.820 54.070 54.840 0.083 0.000 0.818 270 L CB 2.034 44.158 42.059 0.108 0.000 1.259 270 L HN 0.165 nan 8.230 nan 0.000 0.418 271 C N 1.911 121.253 119.300 0.070 0.000 2.611 271 C HA -0.017 4.439 4.460 -0.006 0.000 0.416 271 C C 1.291 176.248 174.990 -0.056 0.000 1.366 271 C CA 0.002 59.044 59.018 0.040 0.000 1.761 271 C CB -0.055 27.694 27.740 0.015 0.000 2.619 271 C HN 0.845 nan 8.230 nan 0.000 0.606 272 D N 0.578 120.886 120.400 -0.154 0.000 3.094 272 D HA -0.007 4.630 4.640 -0.006 0.000 0.267 272 D C 1.740 177.869 176.300 -0.286 0.000 1.542 272 D CA 0.520 54.241 54.000 -0.466 0.000 1.157 272 D CB 0.049 40.588 40.800 -0.436 0.000 1.098 272 D HN 0.653 nan 8.370 nan 0.000 0.340 273 E N 0.137 120.237 120.200 -0.168 0.000 2.230 273 E HA 0.080 4.427 4.350 -0.006 0.000 0.192 273 E C 0.278 176.785 176.600 -0.156 0.000 0.987 273 E CA 0.718 57.046 56.400 -0.121 0.000 0.841 273 E CB 0.965 30.636 29.700 -0.049 0.000 0.783 273 E HN 0.247 nan 8.360 nan 0.000 0.481 274 K N 0.399 120.661 120.400 -0.229 0.000 2.502 274 K HA 0.408 4.725 4.320 -0.006 0.000 0.257 274 K C -1.064 175.237 176.600 -0.498 0.000 0.938 274 K CA -0.609 55.412 56.287 -0.442 0.000 0.819 274 K CB 3.169 35.188 32.500 -0.802 0.000 1.333 274 K HN -0.223 nan 8.250 nan 0.000 0.434 275 V N 3.258 122.937 119.914 -0.391 0.000 2.465 275 V HA 0.247 4.364 4.120 -0.006 0.000 0.279 275 V C 0.025 175.955 176.094 -0.274 0.000 1.045 275 V CA 0.059 62.219 62.300 -0.233 0.000 0.938 275 V CB 0.615 32.382 31.823 -0.093 0.000 0.986 275 V HN 0.721 nan 8.190 nan 0.000 0.467 276 F N 1.996 122.035 119.950 0.149 0.000 2.712 276 F HA 0.245 4.771 4.527 -0.002 0.000 0.297 276 F C 1.023 176.819 175.800 -0.006 0.000 1.114 276 F CA -0.314 57.711 58.000 0.042 0.000 1.305 276 F CB 0.690 39.681 39.000 -0.014 0.000 1.086 276 F HN 0.580 nan 8.300 nan 0.000 0.599 277 Q N -1.556 118.391 119.800 0.246 0.000 2.482 277 Q HA 0.251 4.588 4.340 -0.006 0.000 0.286 277 Q C -1.318 174.829 176.000 0.245 0.000 1.007 277 Q CA -1.159 54.788 55.803 0.241 0.000 0.801 277 Q CB 1.262 30.181 28.738 0.301 0.000 1.455 277 Q HN 0.084 nan 8.270 nan 0.000 0.398 278 Y N 1.070 121.448 120.300 0.129 0.000 2.712 278 Y HA 0.268 4.814 4.550 -0.006 0.000 0.333 278 Y C 1.406 177.381 175.900 0.125 0.000 1.225 278 Y CA 2.580 60.740 58.100 0.100 0.000 1.499 278 Y CB 0.482 38.996 38.460 0.090 0.000 1.288 278 Y HN 1.007 nan 8.280 nan 0.000 0.575 279 G N 3.413 112.010 108.800 -0.339 0.000 2.234 279 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.235 279 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.235 279 G C -0.053 174.442 174.900 -0.675 0.000 0.997 279 G CA -0.053 44.850 45.100 -0.330 0.000 0.623 279 G HN 0.670 nan 8.290 nan 0.000 0.514 280 D N 0.580 120.800 120.400 -0.301 0.000 2.648 280 D HA 0.157 4.794 4.640 -0.006 0.000 0.229 280 D C 0.965 177.041 176.300 -0.374 0.000 1.119 280 D CA 0.479 54.351 54.000 -0.213 0.000 0.850 280 D CB 0.757 41.606 40.800 0.082 0.000 1.169 280 D HN 0.381 nan 8.370 nan 0.000 0.489 281 C N 4.728 123.836 119.300 -0.320 0.000 2.624 281 C HA 0.200 4.656 4.460 -0.006 0.000 0.397 281 C C 1.877 176.846 174.990 -0.036 0.000 1.331 281 C CA -0.499 58.426 59.018 -0.155 0.000 1.716 281 C CB -1.529 26.226 27.740 0.025 0.000 2.452 281 C HN 0.544 nan 8.230 nan 0.000 0.586 282 I N 4.427 124.966 120.570 -0.052 0.000 3.339 282 I HA 0.277 4.444 4.170 -0.006 0.000 0.285 282 I C 1.174 177.305 176.117 0.024 0.000 1.201 282 I CA 0.498 61.793 61.300 -0.008 0.000 1.434 282 I CB -0.104 37.876 38.000 -0.033 0.000 1.152 282 I HN 0.747 nan 8.210 nan 0.000 0.443 283 A N 0.630 123.454 122.820 0.006 0.000 2.609 283 A HA 0.810 5.126 4.320 -0.006 0.000 0.291 283 A C -1.603 175.993 177.584 0.020 0.000 1.096 283 A CA -0.410 51.640 52.037 0.022 0.000 0.684 283 A CB 1.409 20.419 19.000 0.017 0.000 1.282 283 A HN 0.041 nan 8.150 nan 0.000 0.412 284 L N 1.121 122.365 121.223 0.035 0.000 2.376 284 L HA 0.512 4.849 4.340 -0.006 0.000 0.275 284 L C -0.825 176.076 176.870 0.052 0.000 0.987 284 L CA -0.935 53.932 54.840 0.045 0.000 0.828 284 L CB 1.938 44.031 42.059 0.057 0.000 1.249 284 L HN 0.476 nan 8.230 nan 0.000 0.409 285 V N 1.809 121.756 119.914 0.054 0.000 2.498 285 V HA 0.212 4.329 4.120 -0.006 0.000 0.279 285 V C -0.065 176.080 176.094 0.085 0.000 1.048 285 V CA -0.399 61.940 62.300 0.066 0.000 0.967 285 V CB 1.335 33.192 31.823 0.057 0.000 0.988 285 V HN 0.806 nan 8.190 nan 0.000 0.473 286 C N 5.229 124.591 119.300 0.103 0.000 2.281 286 C HA 0.907 5.363 4.460 -0.006 0.000 0.325 286 C C 0.656 175.724 174.990 0.130 0.000 1.282 286 C CA -0.416 58.663 59.018 0.102 0.000 1.640 286 C CB -0.235 27.552 27.740 0.079 0.000 2.288 286 C HN 1.067 nan 8.230 nan 0.000 0.507 287 A N 2.716 125.612 122.820 0.127 0.000 2.552 287 A HA 0.718 5.035 4.320 -0.006 0.000 0.288 287 A C 0.624 178.298 177.584 0.151 0.000 1.193 287 A CA -0.249 51.868 52.037 0.133 0.000 0.713 287 A CB 0.730 19.795 19.000 0.107 0.000 1.305 287 A HN 0.711 nan 8.150 nan 0.000 0.424 288 D N -0.184 120.290 120.400 0.124 0.000 2.347 288 D HA 0.051 4.687 4.640 -0.006 0.000 0.215 288 D C 0.524 176.885 176.300 0.100 0.000 0.976 288 D CA 1.339 55.416 54.000 0.127 0.000 0.884 288 D CB -0.076 40.768 40.800 0.072 0.000 0.915 288 D HN 0.793 nan 8.370 nan 0.000 0.526 289 S N -1.972 113.746 115.700 0.029 0.000 2.570 289 S HA 0.244 4.710 4.470 -0.006 0.000 0.270 289 S C 0.599 175.162 174.600 -0.062 0.000 1.149 289 S CA -0.733 57.343 58.200 -0.206 0.000 0.837 289 S CB 2.163 65.266 63.200 -0.161 0.000 1.124 289 S HN -0.047 nan 8.310 nan 0.000 0.465 290 E N 1.125 121.250 120.200 -0.125 0.000 2.070 290 E HA -0.218 4.128 4.350 -0.006 0.000 0.197 290 E C 2.055 178.678 176.600 0.038 0.000 1.004 290 E CA 1.778 58.208 56.400 0.049 0.000 0.805 290 E CB -0.501 29.240 29.700 0.068 0.000 0.744 290 E HN 0.787 nan 8.360 nan 0.000 0.451 291 A N 1.178 123.998 122.820 -0.000 0.000 1.877 291 A HA -0.220 4.097 4.320 -0.006 0.000 0.216 291 A C 1.969 179.566 177.584 0.022 0.000 1.186 291 A CA 1.744 53.789 52.037 0.013 0.000 0.620 291 A CB -0.635 18.364 19.000 -0.001 0.000 0.822 291 A HN 0.282 nan 8.150 nan 0.000 0.443 292 N N 0.292 119.003 118.700 0.017 0.000 2.188 292 N HA -0.061 4.675 4.740 -0.006 0.000 0.184 292 N C 1.853 177.390 175.510 0.045 0.000 1.018 292 N CA 1.444 54.512 53.050 0.029 0.000 0.858 292 N CB -0.555 37.950 38.487 0.029 0.000 0.989 292 N HN 0.473 nan 8.380 nan 0.000 0.426 293 A N 1.459 124.317 122.820 0.062 0.000 1.902 293 A HA -0.090 4.226 4.320 -0.006 0.000 0.217 293 A C 2.263 179.881 177.584 0.058 0.000 1.181 293 A CA 1.075 53.157 52.037 0.075 0.000 0.623 293 A CB -0.362 18.703 19.000 0.109 0.000 0.818 293 A HN 0.207 nan 8.150 nan 0.000 0.443 294 R N -0.582 119.951 120.500 0.055 0.000 2.081 294 R HA -0.071 4.266 4.340 -0.006 0.000 0.235 294 R C 2.510 178.830 176.300 0.033 0.000 1.131 294 R CA 1.156 57.283 56.100 0.044 0.000 0.960 294 R CB -0.476 29.853 30.300 0.048 0.000 0.856 294 R HN 0.515 nan 8.270 nan 0.000 0.436 295 A N 1.277 124.116 122.820 0.032 0.000 1.883 295 A HA -0.157 4.159 4.320 -0.006 0.000 0.217 295 A C 2.355 179.953 177.584 0.023 0.000 1.186 295 A CA 1.872 53.924 52.037 0.025 0.000 0.624 295 A CB -0.649 18.365 19.000 0.023 0.000 0.822 295 A HN 0.413 nan 8.150 nan 0.000 0.444 296 A N -0.426 122.410 122.820 0.027 0.000 1.929 296 A HA 0.266 4.583 4.320 -0.006 0.000 0.216 296 A C 2.459 180.055 177.584 0.020 0.000 1.176 296 A CA 1.726 53.777 52.037 0.025 0.000 0.628 296 A CB -0.914 18.105 19.000 0.033 0.000 0.816 296 A HN 1.069 nan 8.150 nan 0.000 0.444 297 A N -0.038 122.795 122.820 0.022 0.000 1.978 297 A HA -0.172 4.145 4.320 -0.006 0.000 0.220 297 A C 1.819 179.404 177.584 0.002 0.000 1.170 297 A CA 1.694 53.738 52.037 0.011 0.000 0.636 297 A CB -0.411 18.595 19.000 0.010 0.000 0.810 297 A HN 0.457 nan 8.150 nan 0.000 0.448 298 E N 0.086 120.290 120.200 0.006 0.000 2.265 298 E HA -0.138 4.209 4.350 -0.006 0.000 0.196 298 E C 1.252 177.853 176.600 0.001 0.000 0.996 298 E CA 0.870 57.271 56.400 0.003 0.000 0.832 298 E CB -0.121 29.585 29.700 0.009 0.000 0.756 298 E HN 0.471 nan 8.360 nan 0.000 0.491 299 K N 0.364 120.766 120.400 0.004 0.000 2.393 299 K HA 0.132 4.448 4.320 -0.006 0.000 0.193 299 K C 0.497 177.097 176.600 0.000 0.000 1.026 299 K CA -0.065 56.224 56.287 0.003 0.000 1.064 299 K CB 0.406 32.909 32.500 0.006 0.000 0.833 299 K HN -0.057 nan 8.250 nan 0.000 0.521 300 V N 3.265 123.178 119.914 -0.002 0.000 2.572 300 V HA 0.026 4.143 4.120 -0.006 0.000 0.291 300 V C 0.544 176.632 176.094 -0.010 0.000 1.039 300 V CA -0.013 62.285 62.300 -0.004 0.000 1.055 300 V CB 0.583 32.404 31.823 -0.004 0.000 0.969 300 V HN 0.012 nan 8.190 nan 0.000 0.482 301 K N 4.199 124.594 120.400 -0.009 0.000 2.265 301 K HA 0.524 4.841 4.320 -0.006 0.000 0.267 301 K C -0.993 175.598 176.600 -0.014 0.000 0.994 301 K CA -0.485 55.795 56.287 -0.012 0.000 0.860 301 K CB 1.988 34.483 32.500 -0.009 0.000 1.099 301 K HN 0.444 nan 8.250 nan 0.000 0.448 302 V N 2.310 122.211 119.914 -0.022 0.000 2.398 302 V HA 0.128 4.244 4.120 -0.006 0.000 0.286 302 V C -0.172 175.907 176.094 -0.026 0.000 1.026 302 V CA -0.873 61.413 62.300 -0.024 0.000 0.868 302 V CB 1.604 33.405 31.823 -0.037 0.000 0.982 302 V HN 0.583 nan 8.190 nan 0.000 0.443 303 D N 4.840 125.227 120.400 -0.023 0.000 2.317 303 D HA 0.595 5.232 4.640 -0.006 0.000 0.234 303 D C -0.741 175.538 176.300 -0.035 0.000 1.112 303 D CA 0.067 54.052 54.000 -0.025 0.000 0.840 303 D CB 0.764 41.553 40.800 -0.018 0.000 1.078 303 D HN 0.418 nan 8.370 nan 0.000 0.486 304 L N 2.270 123.468 121.223 -0.042 0.000 2.350 304 L HA 0.497 4.833 4.340 -0.006 0.000 0.260 304 L C -0.080 176.756 176.870 -0.057 0.000 1.015 304 L CA -0.994 53.812 54.840 -0.056 0.000 0.821 304 L CB 2.326 44.349 42.059 -0.061 0.000 1.370 304 L HN 0.332 nan 8.230 nan 0.000 0.416 305 E N 2.283 122.439 120.200 -0.073 0.000 2.141 305 E HA 0.155 4.502 4.350 -0.006 0.000 0.259 305 E C -0.906 175.634 176.600 -0.100 0.000 0.883 305 E CA -0.444 55.911 56.400 -0.076 0.000 0.744 305 E CB 1.327 30.981 29.700 -0.077 0.000 1.150 305 E HN 0.562 nan 8.360 nan 0.000 0.420 306 E N 4.619 124.770 120.200 -0.082 0.000 2.384 306 E HA 0.122 4.469 4.350 -0.006 0.000 0.266 306 E C -0.749 175.777 176.600 -0.123 0.000 1.012 306 E CA -0.079 56.267 56.400 -0.089 0.000 0.901 306 E CB 0.652 30.322 29.700 -0.051 0.000 0.967 306 E HN 0.496 nan 8.360 nan 0.000 0.435 307 L N 5.371 126.481 121.223 -0.187 0.000 2.330 307 L HA 0.465 4.802 4.340 -0.006 0.000 0.271 307 L C -2.126 174.671 176.870 -0.123 0.000 1.013 307 L CA -2.588 52.110 54.840 -0.237 0.000 0.816 307 L CB 1.465 43.185 42.059 -0.565 0.000 1.287 307 L HN 0.510 nan 8.230 nan 0.000 0.435 308 P HA 0.068 nan 4.420 nan 0.000 0.264 308 P C -1.050 176.187 177.300 -0.105 0.000 1.193 308 P CA 0.063 63.088 63.100 -0.125 0.000 0.763 308 P CB 0.646 32.240 31.700 -0.176 0.000 0.810 309 A N 3.575 126.318 122.820 -0.129 0.000 2.325 309 A HA 0.553 4.870 4.320 -0.006 0.000 0.333 309 A C -1.209 176.221 177.584 -0.257 0.000 1.155 309 A CA -0.504 51.475 52.037 -0.097 0.000 0.814 309 A CB 0.528 19.535 19.000 0.012 0.000 1.206 309 A HN 0.490 nan 8.150 nan 0.000 0.482 310 Y N 2.191 122.523 120.300 0.053 0.000 2.369 310 Y HA 0.278 4.825 4.550 -0.004 0.000 0.337 310 Y C 0.833 176.782 175.900 0.081 0.000 0.961 310 Y CA -0.594 57.544 58.100 0.062 0.000 1.186 310 Y CB 1.500 39.993 38.460 0.056 0.000 1.139 310 Y HN 0.548 nan 8.280 nan 0.000 0.494 311 M N 1.882 121.615 119.600 0.222 0.000 2.383 311 M HA 0.180 4.656 4.480 -0.006 0.000 0.247 311 M C -0.091 176.390 176.300 0.301 0.000 1.117 311 M CA 0.128 55.563 55.300 0.225 0.000 0.995 311 M CB -0.646 32.029 32.600 0.125 0.000 1.480 311 M HN 0.564 nan 8.290 nan 0.000 0.485 312 S N -2.221 113.628 115.700 0.250 0.000 2.607 312 S HA 0.716 5.182 4.470 -0.006 0.000 0.273 312 S C 0.836 175.545 174.600 0.181 0.000 1.148 312 S CA -0.285 58.044 58.200 0.215 0.000 0.833 312 S CB 1.303 64.601 63.200 0.163 0.000 1.130 312 S HN 0.226 nan 8.310 nan 0.000 0.470 313 G N 1.100 110.001 108.800 0.168 0.000 2.480 313 G HA2 -0.040 3.916 3.960 -0.006 0.000 0.216 313 G HA3 -0.040 3.916 3.960 -0.006 0.000 0.216 313 G C -1.093 173.848 174.900 0.068 0.000 1.200 313 G CA 1.164 46.334 45.100 0.117 0.000 0.782 313 G HN 0.634 nan 8.290 nan 0.000 0.554 314 P HA -0.063 nan 4.420 nan 0.000 0.216 314 P C 2.151 179.472 177.300 0.035 0.000 1.150 314 P CA 1.976 65.101 63.100 0.043 0.000 0.843 314 P CB -0.113 31.618 31.700 0.050 0.000 0.787 315 A N 0.004 122.871 122.820 0.078 0.000 1.855 315 A HA -0.077 4.240 4.320 -0.006 0.000 0.215 315 A C 2.322 179.886 177.584 -0.033 0.000 1.191 315 A CA 2.048 54.158 52.037 0.123 0.000 0.613 315 A CB -1.606 17.544 19.000 0.251 0.000 0.829 315 A HN 0.190 nan 8.150 nan 0.000 0.442 316 A N -0.537 122.225 122.820 -0.097 0.000 2.015 316 A HA 0.280 4.597 4.320 -0.006 0.000 0.219 316 A C 2.235 179.641 177.584 -0.296 0.000 1.163 316 A CA 1.697 53.498 52.037 -0.392 0.000 0.646 316 A CB -0.648 18.282 19.000 -0.116 0.000 0.806 316 A HN 1.045 nan 8.150 nan 0.000 0.448 317 A N -0.585 122.149 122.820 -0.143 0.000 2.218 317 A HA 0.588 4.905 4.320 -0.006 0.000 0.209 317 A C 1.325 178.850 177.584 -0.098 0.000 1.168 317 A CA 0.609 52.581 52.037 -0.108 0.000 0.804 317 A CB -0.819 18.137 19.000 -0.075 0.000 0.834 317 A HN 0.975 nan 8.150 nan 0.000 0.482 318 A N 0.704 123.462 122.820 -0.102 0.000 2.561 318 A HA 0.236 4.552 4.320 -0.006 0.000 0.234 318 A C 1.159 178.706 177.584 -0.061 0.000 1.055 318 A CA 0.162 52.163 52.037 -0.061 0.000 0.756 318 A CB 0.267 19.248 19.000 -0.031 0.000 0.986 318 A HN 0.469 nan 8.150 nan 0.000 0.505 319 E N 1.997 122.176 120.200 -0.035 0.000 2.171 319 E HA -0.259 4.087 4.350 -0.006 0.000 0.197 319 E C 1.018 177.609 176.600 -0.015 0.000 0.997 319 E CA 1.991 58.375 56.400 -0.026 0.000 0.810 319 E CB -0.360 29.331 29.700 -0.017 0.000 0.738 319 E HN 0.973 nan 8.360 nan 0.000 0.467 320 D N 0.596 120.992 120.400 -0.005 0.000 2.333 320 D HA 0.152 4.788 4.640 -0.006 0.000 0.208 320 D C 0.637 176.954 176.300 0.029 0.000 0.984 320 D CA 0.430 54.442 54.000 0.019 0.000 0.873 320 D CB 0.013 40.834 40.800 0.035 0.000 0.935 320 D HN 0.128 nan 8.370 nan 0.000 0.521 321 A N 1.063 123.866 122.820 -0.029 0.000 2.531 321 A HA 0.215 4.532 4.320 -0.006 0.000 0.236 321 A C 0.422 178.015 177.584 0.015 0.000 1.062 321 A CA -0.249 51.735 52.037 -0.087 0.000 0.760 321 A CB 0.011 18.707 19.000 -0.505 0.000 0.995 321 A HN 0.210 nan 8.150 nan 0.000 0.501 322 I N 1.702 122.393 120.570 0.202 0.000 2.588 322 I HA 0.047 4.214 4.170 -0.006 0.000 0.283 322 I C 0.879 177.116 176.117 0.200 0.000 1.119 322 I CA 0.241 61.673 61.300 0.220 0.000 1.419 322 I CB 0.101 38.270 38.000 0.281 0.000 1.394 322 I HN 0.704 nan 8.210 nan 0.000 0.562 323 E N 5.567 125.859 120.200 0.153 0.000 2.351 323 E HA 0.073 4.419 4.350 -0.006 0.000 0.266 323 E C 1.005 177.726 176.600 0.201 0.000 1.031 323 E CA -0.064 56.426 56.400 0.150 0.000 0.911 323 E CB 0.962 30.744 29.700 0.136 0.000 0.986 323 E HN 0.443 nan 8.360 nan 0.000 0.446 324 I N 2.384 123.058 120.570 0.174 0.000 2.252 324 I HA -0.194 3.972 4.170 -0.006 0.000 0.245 324 I C 0.804 176.958 176.117 0.062 0.000 1.102 324 I CA 0.882 62.261 61.300 0.132 0.000 1.385 324 I CB -0.000 37.971 38.000 -0.048 0.000 1.064 324 I HN 0.475 nan 8.210 nan 0.000 0.414 325 H N 1.596 120.799 119.070 0.222 0.000 2.724 325 H HA 0.290 4.843 4.556 -0.005 0.000 0.278 325 H C -2.262 173.159 175.328 0.155 0.000 1.159 325 H CA -2.484 53.673 56.048 0.181 0.000 1.254 325 H CB 0.115 29.900 29.762 0.040 0.000 1.412 325 H HN -0.038 nan 8.280 nan 0.000 0.488 326 P HA 0.001 nan 4.420 nan 0.000 0.261 326 P C 1.131 178.519 177.300 0.148 0.000 1.183 326 P CA 1.084 64.288 63.100 0.173 0.000 0.761 326 P CB 0.596 32.384 31.700 0.147 0.000 0.785 327 G N 1.864 110.735 108.800 0.120 0.000 2.213 327 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.226 327 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.226 327 G C 0.056 175.013 174.900 0.095 0.000 0.992 327 G CA -0.058 45.098 45.100 0.095 0.000 0.632 327 G HN 0.603 nan 8.290 nan 0.000 0.511 328 T N 3.440 118.067 114.554 0.122 0.000 2.824 328 T HA 0.635 4.981 4.350 -0.006 0.000 0.282 328 T C -2.710 172.074 174.700 0.140 0.000 0.993 328 T CA -1.055 61.117 62.100 0.121 0.000 0.967 328 T CB 3.126 72.058 68.868 0.107 0.000 0.960 328 T HN 0.141 nan 8.240 nan 0.000 0.441 329 P HA 0.212 nan 4.420 nan 0.000 0.271 329 P C 0.467 177.858 177.300 0.152 0.000 1.218 329 P CA -0.344 62.821 63.100 0.108 0.000 0.780 329 P CB 0.802 32.547 31.700 0.075 0.000 0.901 330 N N 0.514 119.277 118.700 0.104 0.000 2.104 330 N HA -0.075 4.662 4.740 -0.006 0.000 0.190 330 N C 0.348 175.925 175.510 0.112 0.000 1.024 330 N CA 1.016 54.137 53.050 0.119 0.000 0.853 330 N CB -0.690 37.793 38.487 -0.008 0.000 1.008 330 N HN 0.228 nan 8.380 nan 0.000 0.424 331 V N 2.995 122.918 119.914 0.015 0.000 2.370 331 V HA 0.002 4.118 4.120 -0.006 0.000 0.257 331 V C 0.450 176.544 176.094 -0.001 0.000 1.064 331 V CA -0.149 62.104 62.300 -0.079 0.000 0.975 331 V CB -0.649 31.109 31.823 -0.109 0.000 1.067 331 V HN 0.351 nan 8.190 nan 0.000 0.485 332 Y N 3.166 123.492 120.300 0.043 0.000 2.467 332 Y HA 0.629 5.175 4.550 -0.006 0.000 0.250 332 Y C -0.030 175.962 175.900 0.153 0.000 1.155 332 Y CA -0.895 57.250 58.100 0.074 0.000 1.249 332 Y CB 0.349 38.850 38.460 0.068 0.000 1.146 332 Y HN 0.397 nan 8.280 nan 0.000 0.524 333 F N 1.308 121.169 119.950 -0.148 0.000 2.650 333 F HA 0.559 5.082 4.527 -0.006 0.000 0.310 333 F C -1.794 173.894 175.800 -0.187 0.000 1.112 333 F CA -1.271 56.672 58.000 -0.095 0.000 0.986 333 F CB 1.764 40.728 39.000 -0.059 0.000 1.285 333 F HN -0.025 nan 8.300 nan 0.000 0.440 334 E N 3.198 122.738 120.200 -1.099 0.000 2.292 334 E HA 0.345 4.692 4.350 -0.006 0.000 0.272 334 E C -1.861 174.028 176.600 -1.185 0.000 0.881 334 E CA -1.095 54.751 56.400 -0.924 0.000 0.754 334 E CB 2.495 31.884 29.700 -0.519 0.000 1.201 334 E HN 0.431 nan 8.360 nan 0.000 0.425 335 Q N 3.220 122.571 119.800 -0.748 0.000 2.347 335 Q HA 0.350 4.687 4.340 -0.006 0.000 0.265 335 Q C -2.787 173.083 176.000 -0.217 0.000 1.024 335 Q CA -2.171 53.431 55.803 -0.335 0.000 0.731 335 Q CB 1.537 30.337 28.738 0.102 0.000 1.245 335 Q HN 0.135 nan 8.270 nan 0.000 0.472 336 P HA 0.277 nan 4.420 nan 0.000 0.276 336 P C -1.096 176.249 177.300 0.075 0.000 1.244 336 P CA -0.536 62.528 63.100 -0.060 0.000 0.801 336 P CB 0.748 32.416 31.700 -0.053 0.000 1.006 337 I N 2.286 122.933 120.570 0.128 0.000 2.439 337 I HA 0.336 4.503 4.170 -0.006 0.000 0.285 337 I C -1.461 174.727 176.117 0.118 0.000 1.021 337 I CA -0.634 60.766 61.300 0.166 0.000 1.091 337 I CB 1.343 39.501 38.000 0.263 0.000 1.242 337 I HN -0.031 nan 8.210 nan 0.000 0.439 338 V N 7.923 127.891 119.914 0.090 0.000 2.385 338 V HA 0.464 4.580 4.120 -0.006 0.000 0.277 338 V C -0.328 175.807 176.094 0.069 0.000 1.012 338 V CA -0.700 61.643 62.300 0.071 0.000 0.832 338 V CB 1.051 32.902 31.823 0.047 0.000 1.028 338 V HN 0.702 nan 8.190 nan 0.000 0.436 339 K N 3.124 123.572 120.400 0.080 0.000 2.324 339 K HA 0.747 5.063 4.320 -0.006 0.000 0.253 339 K C 0.728 177.371 176.600 0.071 0.000 0.932 339 K CA 0.494 56.824 56.287 0.071 0.000 0.799 339 K CB 2.094 34.642 32.500 0.080 0.000 1.154 339 K HN 0.890 nan 8.250 nan 0.000 0.425 340 G N 2.581 111.414 108.800 0.056 0.000 2.564 340 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.273 340 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.273 340 G C -0.586 174.346 174.900 0.054 0.000 1.242 340 G CA -0.164 44.967 45.100 0.052 0.000 0.951 340 G HN 0.640 nan 8.290 nan 0.000 0.564 341 E N 1.425 121.658 120.200 0.056 0.000 2.314 341 E HA 0.339 4.686 4.350 -0.006 0.000 0.262 341 E C -0.006 176.637 176.600 0.071 0.000 1.093 341 E CA -0.610 55.823 56.400 0.055 0.000 0.908 341 E CB 0.277 30.007 29.700 0.049 0.000 1.091 341 E HN 0.452 nan 8.360 nan 0.000 0.425 342 D N 1.006 121.444 120.400 0.064 0.000 2.533 342 D HA -0.052 4.584 4.640 -0.006 0.000 0.236 342 D C 1.204 177.569 176.300 0.108 0.000 1.137 342 D CA 0.471 54.515 54.000 0.073 0.000 0.867 342 D CB 0.627 41.460 40.800 0.055 0.000 1.170 342 D HN 0.407 nan 8.370 nan 0.000 0.474 343 T N -0.911 113.726 114.554 0.138 0.000 3.014 343 T HA 0.038 4.384 4.350 -0.006 0.000 0.263 343 T C 1.952 176.828 174.700 0.293 0.000 1.078 343 T CA 0.478 62.730 62.100 0.253 0.000 1.135 343 T CB -0.194 68.861 68.868 0.311 0.000 0.895 343 T HN 0.365 nan 8.240 nan 0.000 0.480 344 G N 3.097 111.983 108.800 0.143 0.000 2.553 344 G HA2 -0.166 3.790 3.960 -0.006 0.000 0.218 344 G HA3 -0.166 3.790 3.960 -0.006 0.000 0.218 344 G C -0.484 174.510 174.900 0.157 0.000 1.195 344 G CA 1.016 46.182 45.100 0.111 0.000 0.779 344 G HN 0.461 nan 8.290 nan 0.000 0.577 345 P HA -0.005 nan 4.420 nan 0.000 0.218 345 P C 1.880 179.246 177.300 0.110 0.000 1.149 345 P CA 0.721 63.879 63.100 0.097 0.000 0.817 345 P CB -0.064 31.676 31.700 0.067 0.000 0.785 346 I N -2.542 118.108 120.570 0.134 0.000 2.252 346 I HA -0.218 3.948 4.170 -0.006 0.000 0.245 346 I C 2.050 178.200 176.117 0.054 0.000 1.102 346 I CA 1.340 62.687 61.300 0.079 0.000 1.385 346 I CB -0.625 37.412 38.000 0.062 0.000 1.064 346 I HN -0.142 nan 8.210 nan 0.000 0.414 347 F N 1.114 121.088 119.950 0.041 0.000 2.134 347 F HA -0.230 4.294 4.527 -0.005 0.000 0.299 347 F C 2.678 178.498 175.800 0.033 0.000 1.097 347 F CA 1.454 59.480 58.000 0.043 0.000 1.264 347 F CB -0.537 38.491 39.000 0.047 0.000 1.001 347 F HN -0.001 nan 8.300 nan 0.000 0.479 348 A N -0.411 122.533 122.820 0.207 0.000 1.948 348 A HA -0.241 4.075 4.320 -0.006 0.000 0.220 348 A C 2.154 179.780 177.584 0.070 0.000 1.177 348 A CA 2.304 54.412 52.037 0.118 0.000 0.636 348 A CB -1.041 18.013 19.000 0.090 0.000 0.815 348 A HN 0.407 nan 8.150 nan 0.000 0.449 349 S N -1.385 114.345 115.700 0.049 0.000 2.540 349 S HA 0.607 5.073 4.470 -0.006 0.000 0.218 349 S C 0.769 175.367 174.600 -0.002 0.000 0.977 349 S CA 0.317 58.530 58.200 0.022 0.000 0.918 349 S CB -0.392 62.819 63.200 0.018 0.000 0.806 349 S HN 0.855 nan 8.310 nan 0.000 0.496 350 A N 1.932 124.739 122.820 -0.022 0.000 2.445 350 A HA 0.338 4.655 4.320 -0.006 0.000 0.242 350 A C 0.915 178.479 177.584 -0.034 0.000 1.075 350 A CA -0.211 51.790 52.037 -0.060 0.000 0.777 350 A CB 0.068 18.980 19.000 -0.147 0.000 1.013 350 A HN 0.248 nan 8.150 nan 0.000 0.493 351 D N 0.021 120.398 120.400 -0.037 0.000 2.123 351 D HA -0.036 4.601 4.640 -0.006 0.000 0.196 351 D C 0.355 176.646 176.300 -0.015 0.000 0.992 351 D CA 1.770 55.757 54.000 -0.022 0.000 0.833 351 D CB -0.131 40.653 40.800 -0.027 0.000 0.954 351 D HN 0.246 nan 8.370 nan 0.000 0.455 352 V N -0.504 119.393 119.914 -0.028 0.000 2.888 352 V HA 0.453 4.569 4.120 -0.006 0.000 0.309 352 V C -0.195 175.891 176.094 -0.012 0.000 1.114 352 V CA -0.842 61.454 62.300 -0.007 0.000 0.940 352 V CB 2.341 34.161 31.823 -0.004 0.000 1.021 352 V HN 0.130 nan 8.190 nan 0.000 0.426 353 T N 0.587 115.167 114.554 0.043 0.000 2.906 353 T HA 0.911 5.257 4.350 -0.006 0.000 0.295 353 T C -0.761 174.027 174.700 0.147 0.000 1.061 353 T CA -0.697 61.463 62.100 0.099 0.000 1.000 353 T CB 1.899 70.891 68.868 0.206 0.000 1.103 353 T HN 1.326 nan 8.240 nan 0.000 0.486 354 V N -1.132 118.905 119.914 0.205 0.000 3.078 354 V HA 0.924 5.041 4.120 -0.006 0.000 0.311 354 V C -1.000 175.198 176.094 0.174 0.000 1.138 354 V CA -1.001 61.404 62.300 0.175 0.000 1.007 354 V CB 1.751 33.679 31.823 0.175 0.000 1.045 354 V HN 1.309 nan 8.190 nan 0.000 0.432 355 E N 0.643 120.911 120.200 0.114 0.000 2.343 355 E HA 0.747 5.094 4.350 -0.006 0.000 0.278 355 E C -0.807 175.807 176.600 0.024 0.000 0.910 355 E CA -0.379 56.062 56.400 0.069 0.000 0.757 355 E CB 2.327 32.048 29.700 0.035 0.000 1.218 355 E HN 1.381 nan 8.360 nan 0.000 0.435 356 G N 2.361 111.163 108.800 0.004 0.000 2.696 356 G HA2 0.380 4.336 3.960 -0.006 0.000 0.295 356 G HA3 0.380 4.336 3.960 -0.006 0.000 0.295 356 G C -1.444 173.157 174.900 -0.498 0.000 1.398 356 G CA -0.597 44.298 45.100 -0.340 0.000 0.920 356 G HN 0.461 nan 8.290 nan 0.000 0.492 357 D N 0.409 120.389 120.400 -0.699 0.000 2.256 357 D HA 0.565 5.201 4.640 -0.006 0.000 0.240 357 D C -0.892 175.105 176.300 -0.505 0.000 1.062 357 D CA 0.316 54.077 54.000 -0.398 0.000 0.832 357 D CB 1.976 42.636 40.800 -0.233 0.000 1.135 357 D HN 0.126 nan 8.370 nan 0.000 0.484 358 F N 1.174 121.274 119.950 0.251 0.000 2.603 358 F HA 0.443 4.967 4.527 -0.006 0.000 0.317 358 F C -0.611 175.439 175.800 0.417 0.000 1.066 358 F CA -1.171 57.062 58.000 0.388 0.000 0.941 358 F CB 1.904 41.127 39.000 0.373 0.000 1.291 358 F HN 0.187 nan 8.300 nan 0.000 0.472 359 Y N 1.100 121.681 120.300 0.468 0.000 2.433 359 Y HA 0.746 5.293 4.550 -0.006 0.000 0.337 359 Y C -1.994 173.961 175.900 0.092 0.000 1.026 359 Y CA -0.931 57.323 58.100 0.257 0.000 1.037 359 Y CB 1.713 40.274 38.460 0.168 0.000 1.245 359 Y HN 0.411 nan 8.280 nan 0.000 0.443 360 V N 5.987 125.549 119.914 -0.586 0.000 2.656 360 V HA 0.747 4.863 4.120 -0.006 0.000 0.307 360 V C 0.306 175.800 176.094 -1.001 0.000 1.051 360 V CA -0.105 61.763 62.300 -0.719 0.000 0.893 360 V CB 1.430 32.918 31.823 -0.559 0.000 0.999 360 V HN 1.009 nan 8.190 nan 0.000 0.426 361 G N 2.604 110.958 108.800 -0.743 0.000 2.736 361 G HA2 0.397 4.353 3.960 -0.006 0.000 0.229 361 G HA3 0.397 4.353 3.960 -0.006 0.000 0.229 361 G C -0.069 174.681 174.900 -0.249 0.000 1.380 361 G CA -0.738 44.085 45.100 -0.461 0.000 1.040 361 G HN 0.593 nan 8.290 nan 0.000 0.568 362 R N 0.649 121.101 120.500 -0.079 0.000 4.496 362 R HA 0.141 4.478 4.340 -0.006 0.000 0.211 362 R C 0.469 176.762 176.300 -0.012 0.000 1.738 362 R CA -0.126 55.960 56.100 -0.023 0.000 1.528 362 R CB -0.521 29.796 30.300 0.029 0.000 1.414 362 R HN 0.522 nan 8.270 nan 0.000 0.812 363 Q N 2.970 122.677 119.800 -0.155 0.000 2.263 363 Q HA 0.060 4.396 4.340 -0.006 0.000 0.289 363 Q C -2.091 173.950 176.000 0.069 0.000 1.061 363 Q CA -1.387 54.310 55.803 -0.177 0.000 0.927 363 Q CB 0.884 29.264 28.738 -0.598 0.000 1.154 363 Q HN 0.264 nan 8.270 nan 0.000 0.378 364 P HA 0.124 nan 4.420 nan 0.000 0.292 364 P C -0.804 176.600 177.300 0.173 0.000 1.287 364 P CA -0.202 62.976 63.100 0.130 0.000 0.800 364 P CB 0.960 32.748 31.700 0.148 0.000 0.945 365 H N 3.182 122.212 119.070 -0.068 0.000 2.352 365 H HA 0.019 4.571 4.556 -0.006 0.000 0.299 365 H C 0.995 176.293 175.328 -0.050 0.000 1.097 365 H CA 1.005 56.817 56.048 -0.394 0.000 1.311 365 H CB -0.624 28.905 29.762 -0.388 0.000 1.377 365 H HN 0.361 nan 8.280 nan 0.000 0.504 366 M N 0.365 120.074 119.600 0.181 0.000 2.350 366 M HA -0.131 4.346 4.480 -0.006 0.000 0.190 366 M C -2.485 174.046 176.300 0.384 0.000 0.710 366 M CA -0.263 55.241 55.300 0.339 0.000 0.495 366 M CB -1.188 31.699 32.600 0.479 0.000 1.136 366 M HN 0.175 nan 8.290 nan 0.000 0.901 367 P HA 0.104 nan 4.420 nan 0.000 0.272 367 P C 0.787 178.254 177.300 0.279 0.000 1.223 367 P CA -0.278 63.060 63.100 0.396 0.000 0.784 367 P CB 0.706 32.581 31.700 0.292 0.000 0.923 368 I N -0.259 120.429 120.570 0.197 0.000 2.493 368 I HA -0.069 4.098 4.170 -0.006 0.000 0.254 368 I C 1.346 177.461 176.117 -0.004 0.000 1.160 368 I CA 1.232 62.606 61.300 0.122 0.000 1.445 368 I CB -1.167 36.977 38.000 0.240 0.000 1.086 368 I HN 0.497 nan 8.210 nan 0.000 0.433 369 E N 3.981 123.934 120.200 -0.411 0.000 2.130 369 E HA 0.196 4.542 4.350 -0.006 0.000 0.284 369 E C -2.285 174.181 176.600 -0.224 0.000 1.018 369 E CA -2.037 53.906 56.400 -0.762 0.000 0.817 369 E CB 1.530 30.364 29.700 -1.442 0.000 1.078 369 E HN 0.031 nan 8.360 nan 0.000 0.396 370 P HA 0.079 nan 4.420 nan 0.000 0.274 370 P C -0.495 176.746 177.300 -0.098 0.000 1.237 370 P CA -0.355 62.689 63.100 -0.094 0.000 0.793 370 P CB 0.697 32.409 31.700 0.021 0.000 0.977 371 D N -0.373 119.912 120.400 -0.193 0.000 2.472 371 D HA 0.206 4.843 4.640 -0.006 0.000 0.237 371 D C -0.786 175.359 176.300 -0.257 0.000 1.141 371 D CA 0.673 54.498 54.000 -0.292 0.000 0.875 371 D CB 0.281 40.671 40.800 -0.683 0.000 1.192 371 D HN 0.042 nan 8.370 nan 0.000 0.450 372 V N 1.710 121.525 119.914 -0.165 0.000 3.000 372 V HA 0.789 4.906 4.120 -0.006 0.000 0.300 372 V C -1.600 174.448 176.094 -0.077 0.000 1.251 372 V CA 0.109 62.377 62.300 -0.055 0.000 0.972 372 V CB 1.386 33.262 31.823 0.090 0.000 1.065 372 V HN 0.829 nan 8.190 nan 0.000 0.431 373 A N 5.076 127.829 122.820 -0.111 0.000 2.610 373 A HA 1.033 5.349 4.320 -0.006 0.000 0.291 373 A C -1.488 176.057 177.584 -0.065 0.000 1.086 373 A CA -0.254 51.721 52.037 -0.104 0.000 0.677 373 A CB 1.814 20.744 19.000 -0.117 0.000 1.278 373 A HN 2.051 nan 8.150 nan 0.000 0.414 374 F N -2.013 117.897 119.950 -0.067 0.000 2.662 374 F HA 0.963 5.486 4.527 -0.006 0.000 0.312 374 F C -0.280 175.584 175.800 0.107 0.000 1.113 374 F CA -0.666 57.338 58.000 0.005 0.000 0.951 374 F CB 1.459 40.517 39.000 0.097 0.000 1.344 374 F HN 1.283 nan 8.300 nan 0.000 0.462 375 A N 1.221 124.226 122.820 0.308 0.000 2.587 375 A HA 0.903 5.220 4.320 -0.006 0.000 0.293 375 A C -2.077 175.688 177.584 0.302 0.000 1.087 375 A CA -0.741 51.388 52.037 0.154 0.000 0.692 375 A CB 1.590 20.604 19.000 0.023 0.000 1.291 375 A HN 1.537 nan 8.150 nan 0.000 0.407 376 Y N -1.541 118.883 120.300 0.206 0.000 2.656 376 Y HA 0.754 5.300 4.550 -0.006 0.000 0.334 376 Y C -0.938 175.069 175.900 0.178 0.000 1.179 376 Y CA -1.750 56.443 58.100 0.155 0.000 1.050 376 Y CB 0.956 39.493 38.460 0.129 0.000 1.308 376 Y HN 0.421 nan 8.280 nan 0.000 0.456 377 M N 2.789 122.563 119.600 0.289 0.000 2.120 377 M HA 0.395 4.872 4.480 -0.006 0.000 0.354 377 M C 0.518 177.034 176.300 0.361 0.000 1.287 377 M CA -0.586 54.856 55.300 0.236 0.000 1.103 377 M CB 0.490 33.178 32.600 0.146 0.000 1.623 377 M HN 0.998 nan 8.290 nan 0.000 0.471 378 G N 1.560 110.613 108.800 0.422 0.000 2.636 378 G HA2 0.067 4.024 3.960 -0.006 0.000 0.246 378 G HA3 0.067 4.024 3.960 -0.006 0.000 0.246 378 G C 0.521 175.549 174.900 0.214 0.000 1.216 378 G CA -0.278 45.036 45.100 0.357 0.000 0.854 378 G HN 0.824 nan 8.290 nan 0.000 0.572 379 D N -0.475 120.005 120.400 0.133 0.000 2.264 379 D HA -0.144 4.492 4.640 -0.006 0.000 0.208 379 D C 1.804 178.165 176.300 0.102 0.000 0.966 379 D CA 1.344 55.399 54.000 0.092 0.000 0.864 379 D CB 0.051 40.882 40.800 0.051 0.000 0.933 379 D HN 0.403 nan 8.370 nan 0.000 0.499 380 D N -1.006 119.478 120.400 0.141 0.000 2.378 380 D HA 0.052 4.689 4.640 -0.006 0.000 0.227 380 D C 1.722 178.092 176.300 0.117 0.000 1.012 380 D CA 0.875 54.954 54.000 0.132 0.000 0.905 380 D CB -0.558 40.341 40.800 0.166 0.000 0.895 380 D HN 0.278 nan 8.370 nan 0.000 0.532 381 G N -0.096 108.778 108.800 0.124 0.000 2.184 381 G HA2 -0.339 3.618 3.960 -0.006 0.000 0.264 381 G HA3 -0.339 3.618 3.960 -0.006 0.000 0.264 381 G C 0.283 175.225 174.900 0.070 0.000 0.975 381 G CA 0.399 45.552 45.100 0.088 0.000 0.642 381 G HN 0.505 nan 8.290 nan 0.000 0.536 382 K N -0.341 120.115 120.400 0.093 0.000 2.126 382 K HA 0.507 4.823 4.320 -0.006 0.000 0.257 382 K C 0.284 176.860 176.600 -0.039 0.000 1.007 382 K CA -0.136 56.128 56.287 -0.039 0.000 0.928 382 K CB 1.445 33.832 32.500 -0.190 0.000 1.013 382 K HN 0.267 nan 8.250 nan 0.000 0.473 383 C N 3.034 122.231 119.300 -0.173 0.000 2.307 383 C HA 0.417 4.874 4.460 -0.006 0.000 0.340 383 C C -0.960 173.817 174.990 -0.355 0.000 1.275 383 C CA -0.607 58.319 59.018 -0.153 0.000 1.811 383 C CB -1.167 26.501 27.740 -0.121 0.000 2.372 383 C HN 0.581 nan 8.230 nan 0.000 0.531 384 Y N 5.551 125.593 120.300 -0.430 0.000 2.341 384 Y HA 0.658 5.205 4.550 -0.006 0.000 0.337 384 Y C 0.473 176.083 175.900 -0.483 0.000 1.014 384 Y CA -0.547 57.227 58.100 -0.544 0.000 1.111 384 Y CB 0.977 38.914 38.460 -0.872 0.000 1.194 384 Y HN 0.507 nan 8.280 nan 0.000 0.462 385 I N 4.104 124.511 120.570 -0.272 0.000 2.406 385 I HA 0.304 4.470 4.170 -0.006 0.000 0.290 385 I C -0.698 175.180 176.117 -0.399 0.000 0.999 385 I CA -0.608 60.541 61.300 -0.251 0.000 1.124 385 I CB 1.206 39.072 38.000 -0.224 0.000 1.289 385 I HN 0.557 nan 8.210 nan 0.000 0.441 386 H N 4.921 123.673 119.070 -0.530 0.000 2.587 386 H HA 0.545 5.098 4.556 -0.006 0.000 0.325 386 H C -0.489 174.505 175.328 -0.557 0.000 1.012 386 H CA -0.384 55.286 56.048 -0.630 0.000 1.213 386 H CB 1.960 31.046 29.762 -1.127 0.000 1.431 386 H HN 0.736 nan 8.280 nan 0.000 0.492 387 S N 1.989 117.550 115.700 -0.232 0.000 2.880 387 S HA 0.301 4.768 4.470 -0.006 0.000 0.308 387 S C 0.177 174.710 174.600 -0.113 0.000 1.195 387 S CA -1.064 57.037 58.200 -0.164 0.000 0.866 387 S CB 1.999 65.101 63.200 -0.164 0.000 1.254 387 S HN 0.502 nan 8.310 nan 0.000 0.571 388 K N 1.128 121.452 120.400 -0.127 0.000 2.504 388 K HA 0.235 4.552 4.320 -0.006 0.000 0.199 388 K C 0.430 176.907 176.600 -0.205 0.000 1.028 388 K CA 0.034 56.228 56.287 -0.154 0.000 1.164 388 K CB 0.142 32.527 32.500 -0.192 0.000 0.877 388 K HN 0.510 nan 8.250 nan 0.000 0.508 389 S N 1.575 117.194 115.700 -0.135 0.000 2.563 389 S HA -0.022 4.445 4.470 -0.006 0.000 0.294 389 S C 0.830 175.318 174.600 -0.188 0.000 1.279 389 S CA -0.488 57.671 58.200 -0.067 0.000 1.069 389 S CB 0.207 63.439 63.200 0.053 0.000 0.828 389 S HN 0.327 nan 8.310 nan 0.000 0.497 390 I N 2.689 123.097 120.570 -0.270 0.000 3.891 390 I HA 0.549 4.715 4.170 -0.006 0.000 0.331 390 I C 0.795 176.739 176.117 -0.288 0.000 1.406 390 I CA -0.344 60.761 61.300 -0.325 0.000 1.139 390 I CB 0.378 38.005 38.000 -0.620 0.000 1.056 390 I HN 0.556 nan 8.210 nan 0.000 0.399 391 G N 0.558 109.082 108.800 -0.461 0.000 3.582 391 G HA2 0.421 4.377 3.960 -0.006 0.000 0.302 391 G HA3 0.421 4.377 3.960 -0.006 0.000 0.302 391 G C 0.522 175.108 174.900 -0.523 0.000 1.418 391 G CA 0.102 44.891 45.100 -0.519 0.000 0.718 391 G HN 0.177 nan 8.290 nan 0.000 0.479 392 V N -0.937 118.822 119.914 -0.258 0.000 2.343 392 V HA -0.156 3.961 4.120 -0.006 0.000 0.247 392 V C 2.097 178.052 176.094 -0.231 0.000 1.051 392 V CA 2.143 64.301 62.300 -0.236 0.000 1.036 392 V CB -0.977 30.709 31.823 -0.227 0.000 0.654 392 V HN 0.494 nan 8.190 nan 0.000 0.451 393 H N 0.100 119.110 119.070 -0.100 0.000 2.357 393 H HA 0.024 4.577 4.556 -0.006 0.000 0.301 393 H C 2.007 177.379 175.328 0.073 0.000 1.082 393 H CA 1.863 57.919 56.048 0.012 0.000 1.342 393 H CB -0.254 29.533 29.762 0.042 0.000 1.389 393 H HN 0.433 nan 8.280 nan 0.000 0.511 394 L N 0.294 121.541 121.223 0.040 0.000 2.012 394 L HA -0.204 4.132 4.340 -0.006 0.000 0.210 394 L C 1.786 178.703 176.870 0.079 0.000 1.073 394 L CA 1.939 56.776 54.840 -0.005 0.000 0.748 394 L CB -0.647 41.254 42.059 -0.262 0.000 0.891 394 L HN 0.378 nan 8.230 nan 0.000 0.431 395 H N -1.747 117.287 119.070 -0.061 0.000 2.423 395 H HA -0.124 4.429 4.556 -0.005 0.000 0.297 395 H C 2.056 177.318 175.328 -0.109 0.000 1.075 395 H CA 0.816 56.809 56.048 -0.092 0.000 1.342 395 H CB 0.079 29.759 29.762 -0.136 0.000 1.395 395 H HN 0.345 nan 8.280 nan 0.000 0.530 396 L N 0.668 121.875 121.223 -0.026 0.000 1.990 396 L HA -0.265 4.072 4.340 -0.006 0.000 0.213 396 L C 1.621 178.337 176.870 -0.258 0.000 1.072 396 L CA 1.770 56.483 54.840 -0.212 0.000 0.755 396 L CB -0.839 41.011 42.059 -0.349 0.000 0.889 396 L HN 0.221 nan 8.230 nan 0.000 0.432 397 Y N -1.351 118.942 120.300 -0.012 0.000 2.373 397 Y HA -0.103 4.444 4.550 -0.006 0.000 0.293 397 Y C 2.460 178.338 175.900 -0.037 0.000 1.129 397 Y CA 1.167 59.261 58.100 -0.010 0.000 1.226 397 Y CB -0.371 38.091 38.460 0.002 0.000 1.000 397 Y HN 0.186 nan 8.280 nan 0.000 0.549 398 M N -0.423 119.222 119.600 0.075 0.000 2.296 398 M HA -0.103 4.374 4.480 -0.006 0.000 0.265 398 M C 1.857 178.107 176.300 -0.083 0.000 1.064 398 M CA 1.662 56.939 55.300 -0.039 0.000 1.109 398 M CB -0.188 32.404 32.600 -0.014 0.000 1.396 398 M HN 0.443 nan 8.290 nan 0.000 0.430 399 I N -4.254 116.279 120.570 -0.062 0.000 4.139 399 I HA 0.312 4.478 4.170 -0.006 0.000 0.320 399 I C 2.259 178.351 176.117 -0.042 0.000 1.290 399 I CA 0.352 61.611 61.300 -0.067 0.000 1.253 399 I CB -0.375 37.568 38.000 -0.095 0.000 1.122 399 I HN -0.029 nan 8.210 nan 0.000 0.421 400 A N 2.748 125.531 122.820 -0.063 0.000 1.873 400 A HA -0.043 4.274 4.320 -0.006 0.000 0.218 400 A C 0.211 177.800 177.584 0.007 0.000 1.193 400 A CA 2.104 54.101 52.037 -0.067 0.000 0.629 400 A CB -2.054 16.861 19.000 -0.141 0.000 0.826 400 A HN 0.388 nan 8.150 nan 0.000 0.447 401 P HA -0.093 nan 4.420 nan 0.000 0.216 401 P C 1.715 179.085 177.300 0.116 0.000 1.150 401 P CA 1.725 64.910 63.100 0.141 0.000 0.837 401 P CB -0.380 31.528 31.700 0.347 0.000 0.786 402 G N 0.107 108.989 108.800 0.136 0.000 2.402 402 G HA2 -0.210 3.746 3.960 -0.006 0.000 0.216 402 G HA3 -0.210 3.746 3.960 -0.006 0.000 0.216 402 G C 1.537 176.459 174.900 0.036 0.000 1.162 402 G CA 1.194 46.351 45.100 0.095 0.000 0.777 402 G HN 0.356 nan 8.290 nan 0.000 0.539 403 V N -2.000 117.920 119.914 0.010 0.000 3.217 403 V HA 0.463 4.580 4.120 -0.006 0.000 0.264 403 V C 1.672 177.761 176.094 -0.008 0.000 1.135 403 V CA 0.914 63.209 62.300 -0.008 0.000 1.142 403 V CB -0.624 31.180 31.823 -0.032 0.000 0.754 403 V HN 1.332 nan 8.190 nan 0.000 0.484 404 G N 0.387 109.185 108.800 -0.003 0.000 2.165 404 G HA2 -0.172 3.784 3.960 -0.006 0.000 0.226 404 G HA3 -0.172 3.784 3.960 -0.006 0.000 0.226 404 G C -0.423 174.466 174.900 -0.017 0.000 1.035 404 G CA 0.254 45.351 45.100 -0.006 0.000 0.744 404 G HN 0.621 nan 8.290 nan 0.000 0.501 405 L N -0.151 121.054 121.223 -0.029 0.000 2.381 405 L HA 0.582 4.918 4.340 -0.006 0.000 0.268 405 L C 0.183 177.025 176.870 -0.048 0.000 0.997 405 L CA -1.335 53.478 54.840 -0.046 0.000 0.818 405 L CB 1.584 43.598 42.059 -0.075 0.000 1.310 405 L HN -0.026 nan 8.230 nan 0.000 0.416 406 E N 2.154 122.328 120.200 -0.042 0.000 2.390 406 E HA 0.093 4.440 4.350 -0.006 0.000 0.261 406 E C -1.730 174.819 176.600 -0.085 0.000 1.076 406 E CA -1.740 54.637 56.400 -0.038 0.000 0.905 406 E CB 0.701 30.391 29.700 -0.017 0.000 0.984 406 E HN 0.301 nan 8.360 nan 0.000 0.427 407 P HA -0.191 nan 4.420 nan 0.000 0.217 407 P C 0.822 178.034 177.300 -0.147 0.000 1.148 407 P CA 1.440 64.419 63.100 -0.202 0.000 0.828 407 P CB 0.164 31.786 31.700 -0.130 0.000 0.783 408 D N -1.323 119.034 120.400 -0.072 0.000 2.310 408 D HA -0.159 4.478 4.640 -0.006 0.000 0.212 408 D C 1.288 177.531 176.300 -0.095 0.000 0.965 408 D CA 1.017 54.982 54.000 -0.059 0.000 0.879 408 D CB -0.600 40.189 40.800 -0.018 0.000 0.921 408 D HN 0.169 nan 8.370 nan 0.000 0.510 409 Q N 0.226 119.959 119.800 -0.112 0.000 2.247 409 Q HA 0.297 4.634 4.340 -0.006 0.000 0.204 409 Q C 0.486 176.373 176.000 -0.190 0.000 0.872 409 Q CA -0.079 55.652 55.803 -0.121 0.000 0.951 409 Q CB 1.011 29.703 28.738 -0.076 0.000 1.099 409 Q HN 0.549 nan 8.270 nan 0.000 0.501 410 L N -3.285 117.792 121.223 -0.242 0.000 2.409 410 L HA 0.845 5.182 4.340 -0.006 0.000 0.262 410 L C -0.898 175.740 176.870 -0.387 0.000 0.992 410 L CA -1.134 53.515 54.840 -0.318 0.000 0.817 410 L CB 2.091 43.998 42.059 -0.253 0.000 1.350 410 L HN -0.369 nan 8.230 nan 0.000 0.411 411 V N 3.518 123.124 119.914 -0.513 0.000 2.531 411 V HA 0.528 4.645 4.120 -0.006 0.000 0.301 411 V C -0.497 175.354 176.094 -0.406 0.000 1.034 411 V CA -0.314 61.688 62.300 -0.496 0.000 0.865 411 V CB 1.815 33.191 31.823 -0.745 0.000 0.995 411 V HN 0.589 nan 8.190 nan 0.000 0.424 412 L N 5.335 126.353 121.223 -0.341 0.000 2.329 412 L HA 0.758 5.094 4.340 -0.006 0.000 0.279 412 L C -0.335 176.349 176.870 -0.310 0.000 1.014 412 L CA -0.210 54.438 54.840 -0.319 0.000 0.814 412 L CB 2.042 43.947 42.059 -0.257 0.000 1.257 412 L HN 0.428 nan 8.230 nan 0.000 0.424 413 V N 1.830 121.521 119.914 -0.372 0.000 2.709 413 V HA 0.759 4.876 4.120 -0.006 0.000 0.308 413 V C -0.184 175.792 176.094 -0.198 0.000 1.062 413 V CA -0.994 61.121 62.300 -0.307 0.000 0.901 413 V CB 1.895 33.378 31.823 -0.568 0.000 1.003 413 V HN 0.808 nan 8.190 nan 0.000 0.425 414 A N 3.753 126.545 122.820 -0.047 0.000 2.269 414 A HA 0.537 4.854 4.320 -0.006 0.000 0.302 414 A C 0.240 177.857 177.584 0.056 0.000 1.266 414 A CA -0.442 51.601 52.037 0.009 0.000 0.894 414 A CB -0.214 18.828 19.000 0.069 0.000 1.147 414 A HN 0.799 nan 8.150 nan 0.000 0.537 415 N N 2.452 121.152 118.700 -0.001 0.000 2.416 415 N HA 0.201 4.938 4.740 -0.006 0.000 0.246 415 N C -2.588 172.897 175.510 -0.042 0.000 1.260 415 N CA -1.033 51.995 53.050 -0.035 0.000 0.897 415 N CB -0.085 38.429 38.487 0.046 0.000 1.110 415 N HN 0.352 nan 8.380 nan 0.000 0.439 416 P HA 0.014 nan 4.420 nan 0.000 0.265 416 P C -0.342 177.055 177.300 0.161 0.000 1.187 416 P CA 0.536 63.565 63.100 -0.117 0.000 0.766 416 P CB 0.348 31.752 31.700 -0.493 0.000 0.820 417 M N 0.128 119.936 119.600 0.347 0.000 2.484 417 M HA 0.631 5.107 4.480 -0.006 0.000 0.289 417 M C -0.027 176.480 176.300 0.345 0.000 1.206 417 M CA -0.699 54.815 55.300 0.356 0.000 0.892 417 M CB 2.289 34.951 32.600 0.103 0.000 1.712 417 M HN 0.284 nan 8.290 nan 0.000 0.462 418 G N 1.322 110.157 108.800 0.058 0.000 3.741 418 G HA2 0.553 4.510 3.960 -0.006 0.000 0.263 418 G HA3 0.553 4.510 3.960 -0.006 0.000 0.263 418 G C 0.434 175.298 174.900 -0.059 0.000 1.175 418 G CA 0.043 45.066 45.100 -0.128 0.000 1.642 418 G HN 1.462 nan 8.290 nan 0.000 0.644 419 G N -0.490 108.291 108.800 -0.032 0.000 2.721 419 G HA2 0.180 4.136 3.960 -0.006 0.000 0.686 419 G HA3 0.180 4.136 3.960 -0.006 0.000 0.686 419 G C 0.369 175.151 174.900 -0.197 0.000 1.236 419 G CA 0.253 45.227 45.100 -0.211 0.000 0.786 419 G HN 1.355 nan 8.290 nan 0.000 0.616 420 T N -1.820 112.466 114.554 -0.448 0.000 3.236 420 T HA 0.377 4.724 4.350 -0.006 0.000 0.265 420 T C 1.423 176.112 174.700 -0.018 0.000 0.912 420 T CA 1.167 63.187 62.100 -0.133 0.000 0.946 420 T CB -0.018 68.618 68.868 -0.388 0.000 1.241 420 T HN 1.974 nan 8.240 nan 0.000 0.513 421 F N 1.940 121.950 119.950 0.101 0.000 3.069 421 F HA -0.067 4.456 4.527 -0.006 0.000 0.285 421 F C 1.577 177.382 175.800 0.008 0.000 0.827 421 F CA 1.036 59.020 58.000 -0.026 0.000 1.108 421 F CB -2.041 36.879 39.000 -0.133 0.000 1.252 421 F HN 0.861 nan 8.300 nan 0.000 0.483 422 G N -1.210 107.651 108.800 0.103 0.000 2.253 422 G HA2 -0.384 3.573 3.960 -0.006 0.000 0.209 422 G HA3 -0.384 3.573 3.960 -0.006 0.000 0.209 422 G C 0.577 175.450 174.900 -0.045 0.000 0.997 422 G CA 0.104 45.267 45.100 0.104 0.000 0.640 422 G HN 0.927 nan 8.290 nan 0.000 0.496 423 Y N 1.459 121.423 120.300 -0.559 0.000 2.403 423 Y HA 0.285 4.831 4.550 -0.006 0.000 0.291 423 Y C 1.947 177.708 175.900 -0.232 0.000 1.143 423 Y CA 1.619 59.301 58.100 -0.697 0.000 1.257 423 Y CB 0.035 37.782 38.460 -1.188 0.000 0.984 423 Y HN 0.113 nan 8.280 nan 0.000 0.550 424 K N 0.309 120.270 120.400 -0.732 0.000 2.458 424 K HA 0.029 4.346 4.320 -0.006 0.000 0.194 424 K C 1.018 177.578 176.600 -0.066 0.000 1.024 424 K CA -0.007 55.958 56.287 -0.537 0.000 1.108 424 K CB -0.717 31.346 32.500 -0.729 0.000 0.846 424 K HN 0.459 nan 8.250 nan 0.000 0.518 425 F N 1.104 120.997 119.950 -0.095 0.000 2.502 425 F HA -0.020 4.504 4.527 -0.006 0.000 0.298 425 F C 0.454 176.449 175.800 0.324 0.000 1.111 425 F CA 0.460 58.476 58.000 0.027 0.000 1.445 425 F CB 0.456 39.398 39.000 -0.097 0.000 1.081 425 F HN -0.259 nan 8.300 nan 0.000 0.558 426 S N 0.849 116.744 115.700 0.325 0.000 2.525 426 S HA 0.366 4.833 4.470 -0.006 0.000 0.290 426 S C -2.425 172.088 174.600 -0.146 0.000 1.152 426 S CA -1.332 57.039 58.200 0.284 0.000 1.072 426 S CB 1.381 64.866 63.200 0.475 0.000 1.027 426 S HN -0.186 nan 8.310 nan 0.000 0.500 427 P HA 0.145 nan 4.420 nan 0.000 0.268 427 P C 0.451 177.696 177.300 -0.093 0.000 1.205 427 P CA -0.027 62.794 63.100 -0.466 0.000 0.771 427 P CB 0.650 32.109 31.700 -0.402 0.000 0.858 428 T N -2.063 112.439 114.554 -0.087 0.000 3.393 428 T HA 0.031 4.378 4.350 -0.006 0.000 0.231 428 T C 1.320 176.031 174.700 0.019 0.000 0.983 428 T CA 0.681 62.805 62.100 0.040 0.000 1.272 428 T CB -0.671 68.227 68.868 0.050 0.000 1.214 428 T HN 0.310 nan 8.240 nan 0.000 0.368 429 S N 0.838 116.528 115.700 -0.017 0.000 2.539 429 S HA 0.275 4.741 4.470 -0.006 0.000 0.221 429 S C 1.433 176.029 174.600 -0.007 0.000 0.987 429 S CA -0.108 58.130 58.200 0.063 0.000 0.929 429 S CB 0.049 63.285 63.200 0.060 0.000 0.832 429 S HN 0.406 nan 8.310 nan 0.000 0.492 430 E N 2.925 123.077 120.200 -0.080 0.000 2.051 430 E HA 0.032 4.379 4.350 -0.006 0.000 0.192 430 E C 2.235 178.789 176.600 -0.076 0.000 0.991 430 E CA 1.512 57.852 56.400 -0.101 0.000 0.799 430 E CB -0.566 29.046 29.700 -0.146 0.000 0.748 430 E HN 0.657 nan 8.360 nan 0.000 0.449 431 A N 0.440 123.216 122.820 -0.074 0.000 1.929 431 A HA -0.078 4.238 4.320 -0.006 0.000 0.216 431 A C 2.163 179.737 177.584 -0.016 0.000 1.176 431 A CA 0.822 52.826 52.037 -0.055 0.000 0.628 431 A CB -0.574 18.386 19.000 -0.067 0.000 0.816 431 A HN 0.156 nan 8.150 nan 0.000 0.444 432 L N 0.099 121.330 121.223 0.014 0.000 1.989 432 L HA -0.211 4.125 4.340 -0.006 0.000 0.211 432 L C 2.737 179.634 176.870 0.045 0.000 1.071 432 L CA 1.855 56.726 54.840 0.051 0.000 0.749 432 L CB -0.887 41.237 42.059 0.108 0.000 0.890 432 L HN 0.453 nan 8.230 nan 0.000 0.431 433 V N -2.650 117.285 119.914 0.036 0.000 2.427 433 V HA -0.151 3.966 4.120 -0.006 0.000 0.248 433 V C 2.597 178.700 176.094 0.015 0.000 1.051 433 V CA 1.449 63.770 62.300 0.035 0.000 1.048 433 V CB -1.231 30.612 31.823 0.033 0.000 0.666 433 V HN 0.320 nan 8.190 nan 0.000 0.456 434 A N 0.578 123.389 122.820 -0.015 0.000 1.877 434 A HA -0.104 4.212 4.320 -0.006 0.000 0.216 434 A C 2.415 179.994 177.584 -0.010 0.000 1.186 434 A CA 2.334 54.352 52.037 -0.031 0.000 0.620 434 A CB -1.011 17.953 19.000 -0.062 0.000 0.822 434 A HN 0.455 nan 8.150 nan 0.000 0.443 435 V N -0.193 119.721 119.914 0.000 0.000 2.332 435 V HA -0.267 3.849 4.120 -0.006 0.000 0.248 435 V C 3.039 179.145 176.094 0.021 0.000 1.055 435 V CA 2.057 64.363 62.300 0.010 0.000 1.038 435 V CB -1.170 30.664 31.823 0.019 0.000 0.651 435 V HN 0.635 nan 8.190 nan 0.000 0.450 436 A N -0.244 122.593 122.820 0.029 0.000 1.898 436 A HA -0.039 4.277 4.320 -0.006 0.000 0.216 436 A C 2.425 180.027 177.584 0.030 0.000 1.181 436 A CA 1.878 53.936 52.037 0.034 0.000 0.620 436 A CB -0.758 18.267 19.000 0.042 0.000 0.819 436 A HN 0.553 nan 8.150 nan 0.000 0.442 437 A N -0.356 122.485 122.820 0.035 0.000 1.877 437 A HA -0.146 4.170 4.320 -0.006 0.000 0.216 437 A C 2.272 179.879 177.584 0.039 0.000 1.186 437 A CA 1.900 53.965 52.037 0.046 0.000 0.620 437 A CB -0.581 18.454 19.000 0.059 0.000 0.822 437 A HN 0.532 nan 8.150 nan 0.000 0.443 438 M N -0.540 119.075 119.600 0.024 0.000 2.086 438 M HA -0.159 4.318 4.480 -0.006 0.000 0.261 438 M C 2.548 178.865 176.300 0.028 0.000 1.067 438 M CA 1.580 56.892 55.300 0.021 0.000 1.116 438 M CB -0.439 32.165 32.600 0.006 0.000 1.348 438 M HN 0.479 nan 8.290 nan 0.000 0.407 439 A N 0.221 123.059 122.820 0.030 0.000 1.873 439 A HA -0.152 4.165 4.320 -0.006 0.000 0.215 439 A C 2.270 179.888 177.584 0.056 0.000 1.186 439 A CA 2.207 54.266 52.037 0.038 0.000 0.616 439 A CB -1.177 17.845 19.000 0.038 0.000 0.823 439 A HN 0.596 nan 8.150 nan 0.000 0.442 440 T N -4.649 109.937 114.554 0.054 0.000 3.054 440 T HA 0.362 4.709 4.350 -0.006 0.000 0.259 440 T C 1.607 176.337 174.700 0.050 0.000 1.092 440 T CA 1.183 63.321 62.100 0.062 0.000 1.121 440 T CB -0.137 68.706 68.868 -0.042 0.000 0.912 440 T HN 1.704 nan 8.240 nan 0.000 0.489 441 G N 1.940 110.767 108.800 0.044 0.000 2.189 441 G HA2 -0.259 3.698 3.960 -0.006 0.000 0.267 441 G HA3 -0.259 3.698 3.960 -0.006 0.000 0.267 441 G C 0.262 175.192 174.900 0.051 0.000 0.975 441 G CA 0.229 45.360 45.100 0.051 0.000 0.644 441 G HN 0.657 nan 8.290 nan 0.000 0.537 442 R N 0.132 120.646 120.500 0.024 0.000 2.674 442 R HA 0.492 4.829 4.340 -0.006 0.000 0.266 442 R C -2.699 173.632 176.300 0.052 0.000 1.016 442 R CA -2.088 54.018 56.100 0.009 0.000 1.062 442 R CB 0.585 30.840 30.300 -0.075 0.000 1.142 442 R HN 0.039 nan 8.270 nan 0.000 0.517 443 P HA 0.028 nan 4.420 nan 0.000 0.271 443 P C -0.596 176.730 177.300 0.045 0.000 1.216 443 P CA -0.191 62.978 63.100 0.116 0.000 0.771 443 P CB 0.673 32.398 31.700 0.042 0.000 0.864 444 V N 0.501 120.479 119.914 0.107 0.000 2.823 444 V HA 0.656 4.772 4.120 -0.006 0.000 0.312 444 V C -1.002 175.184 176.094 0.154 0.000 1.072 444 V CA -0.541 61.796 62.300 0.063 0.000 0.937 444 V CB 2.303 34.161 31.823 0.059 0.000 1.013 444 V HN 0.611 nan 8.190 nan 0.000 0.430 445 H N 3.967 123.021 119.070 -0.026 0.000 2.759 445 H HA 0.725 5.278 4.556 -0.006 0.000 0.354 445 H C -2.163 173.240 175.328 0.125 0.000 1.074 445 H CA -0.646 55.442 56.048 0.067 0.000 1.226 445 H CB 2.211 31.914 29.762 -0.098 0.000 1.648 445 H HN 0.789 nan 8.280 nan 0.000 0.529 446 L N 5.678 126.867 121.223 -0.057 0.000 2.372 446 L HA 0.459 4.795 4.340 -0.006 0.000 0.274 446 L C -0.991 175.956 176.870 0.129 0.000 0.988 446 L CA -0.423 54.494 54.840 0.128 0.000 0.833 446 L CB 1.257 43.418 42.059 0.169 0.000 1.236 446 L HN 0.625 nan 8.230 nan 0.000 0.410 447 R N 3.968 124.644 120.500 0.294 0.000 2.393 447 R HA 0.425 4.762 4.340 -0.006 0.000 0.315 447 R C -1.422 175.116 176.300 0.396 0.000 0.952 447 R CA -0.646 55.648 56.100 0.323 0.000 0.842 447 R CB 0.903 31.417 30.300 0.358 0.000 1.163 447 R HN 0.511 nan 8.270 nan 0.000 0.450 448 Y N 2.822 123.186 120.300 0.108 0.000 2.346 448 Y HA 0.058 4.605 4.550 -0.004 0.000 0.330 448 Y C 0.850 176.804 175.900 0.090 0.000 1.178 448 Y CA -0.929 57.227 58.100 0.093 0.000 1.331 448 Y CB 0.494 38.985 38.460 0.052 0.000 1.253 448 Y HN 0.665 nan 8.280 nan 0.000 0.529 449 N N 0.582 119.419 118.700 0.228 0.000 2.405 449 N HA -0.006 4.731 4.740 -0.006 0.000 0.269 449 N C 0.528 176.144 175.510 0.177 0.000 1.249 449 N CA -0.371 52.798 53.050 0.199 0.000 0.974 449 N CB 0.047 38.633 38.487 0.165 0.000 1.204 449 N HN 0.599 nan 8.380 nan 0.000 0.565 450 Y N -0.939 119.435 120.300 0.123 0.000 2.274 450 Y HA -0.159 4.387 4.550 -0.006 0.000 0.290 450 Y C 2.572 178.546 175.900 0.123 0.000 1.145 450 Y CA 1.764 59.926 58.100 0.105 0.000 1.203 450 Y CB -0.083 38.426 38.460 0.081 0.000 0.984 450 Y HN 0.710 nan 8.280 nan 0.000 0.533 451 Q N -0.099 119.823 119.800 0.203 0.000 2.061 451 Q HA -0.300 4.036 4.340 -0.006 0.000 0.204 451 Q C 2.030 178.114 176.000 0.139 0.000 0.984 451 Q CA 2.193 58.110 55.803 0.190 0.000 0.846 451 Q CB -0.103 28.747 28.738 0.187 0.000 0.902 451 Q HN 0.596 nan 8.270 nan 0.000 0.421 452 Q N -0.365 119.502 119.800 0.112 0.000 2.119 452 Q HA -0.218 4.118 4.340 -0.006 0.000 0.201 452 Q C 2.034 178.134 176.000 0.167 0.000 0.972 452 Q CA 1.361 57.238 55.803 0.124 0.000 0.847 452 Q CB -0.037 28.701 28.738 -0.001 0.000 0.903 452 Q HN 0.284 nan 8.270 nan 0.000 0.433 453 Q N 0.638 120.446 119.800 0.013 0.000 2.096 453 Q HA -0.210 4.127 4.340 -0.006 0.000 0.204 453 Q C 1.930 177.735 176.000 -0.325 0.000 0.982 453 Q CA 1.651 57.306 55.803 -0.246 0.000 0.850 453 Q CB 0.057 28.390 28.738 -0.676 0.000 0.901 453 Q HN 0.272 nan 8.270 nan 0.000 0.422 454 Q N -0.295 119.345 119.800 -0.266 0.000 2.062 454 Q HA -0.075 4.261 4.340 -0.006 0.000 0.196 454 Q C 2.065 177.791 176.000 -0.457 0.000 0.967 454 Q CA 1.568 57.194 55.803 -0.295 0.000 0.832 454 Q CB -0.054 28.693 28.738 0.014 0.000 0.899 454 Q HN 0.612 nan 8.270 nan 0.000 0.442 455 Q N -1.270 118.496 119.800 -0.055 0.000 2.331 455 Q HA -0.027 4.309 4.340 -0.006 0.000 0.203 455 Q C 0.358 176.538 176.000 0.300 0.000 0.944 455 Q CA 0.559 56.459 55.803 0.161 0.000 0.892 455 Q CB 0.370 29.372 28.738 0.440 0.000 0.983 455 Q HN 0.320 nan 8.270 nan 0.000 0.482 456 Y N 0.885 121.248 120.300 0.106 0.000 2.685 456 Y HA 0.173 4.721 4.550 -0.004 0.000 0.257 456 Y C -0.570 175.543 175.900 0.355 0.000 1.053 456 Y CA -0.629 57.639 58.100 0.280 0.000 1.106 456 Y CB 0.822 39.409 38.460 0.212 0.000 1.193 456 Y HN -0.070 nan 8.280 nan 0.000 0.602 457 T N -2.511 112.016 114.554 -0.044 0.000 2.916 457 T HA 0.726 5.073 4.350 -0.006 0.000 0.292 457 T C 0.623 174.898 174.700 -0.708 0.000 1.064 457 T CA -0.490 61.427 62.100 -0.305 0.000 1.011 457 T CB 1.518 70.146 68.868 -0.400 0.000 1.152 457 T HN 0.304 nan 8.240 nan 0.000 0.510 458 G N 0.975 109.038 108.800 -1.229 0.000 2.699 458 G HA2 0.515 4.471 3.960 -0.006 0.000 0.246 458 G HA3 0.515 4.471 3.960 -0.006 0.000 0.246 458 G C -0.620 174.086 174.900 -0.324 0.000 1.219 458 G CA -0.484 43.893 45.100 -1.206 0.000 0.866 458 G HN 0.715 nan 8.290 nan 0.000 0.572 459 K N -0.471 119.832 120.400 -0.162 0.000 2.482 459 K HA 0.301 4.618 4.320 -0.006 0.000 0.257 459 K C -0.098 176.565 176.600 0.104 0.000 0.969 459 K CA -1.044 55.267 56.287 0.041 0.000 0.842 459 K CB 2.277 34.772 32.500 -0.008 0.000 1.359 459 K HN 0.655 nan 8.250 nan 0.000 0.441 460 R N 0.888 121.460 120.500 0.121 0.000 2.537 460 R HA 0.029 4.366 4.340 -0.006 0.000 0.281 460 R C -0.567 175.759 176.300 0.042 0.000 0.988 460 R CA 0.561 56.704 56.100 0.072 0.000 1.077 460 R CB 0.266 30.462 30.300 -0.174 0.000 0.932 460 R HN 0.443 nan 8.270 nan 0.000 0.409 461 S N 6.969 122.745 115.700 0.126 0.000 2.499 461 S HA 0.236 4.703 4.470 -0.006 0.000 0.275 461 S C -2.274 172.457 174.600 0.219 0.000 1.257 461 S CA -1.140 57.183 58.200 0.204 0.000 1.050 461 S CB 1.480 64.904 63.200 0.373 0.000 0.937 461 S HN 0.567 nan 8.310 nan 0.000 0.490 462 P HA 0.126 nan 4.420 nan 0.000 0.266 462 P C -1.129 176.405 177.300 0.389 0.000 1.195 462 P CA -0.155 62.992 63.100 0.078 0.000 0.768 462 P CB 0.301 32.087 31.700 0.143 0.000 0.838 463 W N 1.990 123.219 121.300 -0.119 0.000 2.600 463 W HA 0.304 4.960 4.660 -0.006 0.000 0.325 463 W C 0.010 176.611 176.519 0.136 0.000 1.034 463 W CA -0.446 56.938 57.345 0.065 0.000 1.226 463 W CB 0.782 30.296 29.460 0.089 0.000 1.379 463 W HN 0.229 nan 8.180 nan 0.000 0.466 464 E N 4.053 124.522 120.200 0.449 0.000 2.167 464 E HA 0.454 4.801 4.350 -0.006 0.000 0.284 464 E C -0.474 176.357 176.600 0.384 0.000 1.016 464 E CA -0.369 56.286 56.400 0.425 0.000 0.817 464 E CB 1.386 31.269 29.700 0.306 0.000 1.080 464 E HN 0.411 nan 8.360 nan 0.000 0.397 465 M N 2.634 122.481 119.600 0.410 0.000 2.393 465 M HA 0.300 4.776 4.480 -0.006 0.000 0.299 465 M C -0.310 176.199 176.300 0.349 0.000 1.103 465 M CA -0.659 54.897 55.300 0.426 0.000 0.910 465 M CB 2.354 35.254 32.600 0.500 0.000 1.659 465 M HN 0.178 nan 8.290 nan 0.000 0.445 466 N N 2.416 121.283 118.700 0.279 0.000 2.399 466 N HA 0.644 5.381 4.740 -0.006 0.000 0.280 466 N C -2.236 173.395 175.510 0.202 0.000 1.008 466 N CA -0.193 52.973 53.050 0.192 0.000 0.894 466 N CB 1.846 40.386 38.487 0.089 0.000 1.273 466 N HN 0.487 nan 8.380 nan 0.000 0.486 467 V N 2.964 123.002 119.914 0.206 0.000 2.735 467 V HA 0.545 4.661 4.120 -0.006 0.000 0.310 467 V C -0.492 175.597 176.094 -0.008 0.000 1.061 467 V CA -0.761 61.586 62.300 0.078 0.000 0.913 467 V CB 2.148 33.962 31.823 -0.014 0.000 1.005 467 V HN 0.558 nan 8.190 nan 0.000 0.428 468 K N 3.377 123.748 120.400 -0.048 0.000 2.422 468 K HA 0.708 5.024 4.320 -0.006 0.000 0.251 468 K C -1.660 175.071 176.600 0.219 0.000 0.933 468 K CA -0.461 55.874 56.287 0.081 0.000 0.798 468 K CB 2.784 35.343 32.500 0.098 0.000 1.238 468 K HN 0.488 nan 8.250 nan 0.000 0.428 469 F N 0.772 120.933 119.950 0.352 0.000 2.532 469 F HA 0.594 5.118 4.527 -0.005 0.000 0.321 469 F C -0.071 175.650 175.800 -0.132 0.000 1.089 469 F CA -1.188 56.900 58.000 0.147 0.000 0.926 469 F CB 2.179 41.198 39.000 0.032 0.000 1.168 469 F HN 0.527 nan 8.300 nan 0.000 0.459 470 A N 2.230 124.826 122.820 -0.375 0.000 2.330 470 A HA 0.944 5.260 4.320 -0.006 0.000 0.327 470 A C -1.083 176.331 177.584 -0.283 0.000 1.155 470 A CA -0.373 51.298 52.037 -0.609 0.000 0.803 470 A CB 1.230 19.502 19.000 -1.213 0.000 1.208 470 A HN 0.953 nan 8.150 nan 0.000 0.477 471 A N 2.027 124.732 122.820 -0.193 0.000 2.602 471 A HA 0.736 5.053 4.320 -0.006 0.000 0.290 471 A C -0.575 176.945 177.584 -0.108 0.000 1.114 471 A CA -0.780 51.167 52.037 -0.149 0.000 0.683 471 A CB 0.978 19.890 19.000 -0.147 0.000 1.281 471 A HN 0.749 nan 8.150 nan 0.000 0.416 472 K N 0.429 120.774 120.400 -0.092 0.000 2.107 472 K HA 0.253 4.569 4.320 -0.006 0.000 0.251 472 K C 0.905 177.472 176.600 -0.054 0.000 1.012 472 K CA -0.419 55.830 56.287 -0.065 0.000 0.920 472 K CB 0.996 33.462 32.500 -0.057 0.000 1.033 472 K HN 0.727 nan 8.250 nan 0.000 0.478 473 K N 1.412 121.789 120.400 -0.038 0.000 2.103 473 K HA -0.205 4.112 4.320 -0.006 0.000 0.207 473 K C 1.122 177.704 176.600 -0.031 0.000 1.048 473 K CA 2.245 58.515 56.287 -0.029 0.000 0.930 473 K CB -0.054 32.435 32.500 -0.019 0.000 0.716 473 K HN 0.682 nan 8.250 nan 0.000 0.444 474 D N -1.271 119.109 120.400 -0.034 0.000 2.378 474 D HA -0.027 4.609 4.640 -0.006 0.000 0.227 474 D C 1.112 177.385 176.300 -0.046 0.000 1.012 474 D CA 1.062 55.043 54.000 -0.032 0.000 0.905 474 D CB 0.134 40.918 40.800 -0.027 0.000 0.895 474 D HN 0.470 nan 8.370 nan 0.000 0.532 475 G N -0.727 108.034 108.800 -0.064 0.000 2.213 475 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.236 475 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.236 475 G C 0.424 175.245 174.900 -0.131 0.000 0.991 475 G CA 0.163 45.206 45.100 -0.096 0.000 0.629 475 G HN 0.441 nan 8.290 nan 0.000 0.517 476 T N 2.698 117.189 114.554 -0.106 0.000 2.792 476 T HA 0.398 4.745 4.350 -0.006 0.000 0.286 476 T C 0.988 175.601 174.700 -0.145 0.000 0.970 476 T CA 0.108 62.139 62.100 -0.114 0.000 1.187 476 T CB 0.692 69.513 68.868 -0.078 0.000 0.915 476 T HN 0.374 nan 8.240 nan 0.000 0.529 477 L N 4.390 125.498 121.223 -0.192 0.000 2.453 477 L HA 0.131 4.468 4.340 -0.006 0.000 0.272 477 L C 1.326 178.116 176.870 -0.133 0.000 1.182 477 L CA -0.078 54.628 54.840 -0.223 0.000 0.858 477 L CB 0.389 42.258 42.059 -0.316 0.000 1.120 477 L HN 0.682 nan 8.230 nan 0.000 0.474 478 L N 3.120 124.263 121.223 -0.133 0.000 2.445 478 L HA 0.439 4.776 4.340 -0.006 0.000 0.207 478 L C 0.586 177.426 176.870 -0.049 0.000 1.053 478 L CA 0.207 54.992 54.840 -0.092 0.000 0.841 478 L CB 0.147 42.133 42.059 -0.121 0.000 1.074 478 L HN 0.728 nan 8.230 nan 0.000 0.479 479 A N -0.078 122.704 122.820 -0.065 0.000 2.612 479 A HA 0.715 5.031 4.320 -0.006 0.000 0.293 479 A C -1.461 176.277 177.584 0.257 0.000 1.075 479 A CA -0.365 51.721 52.037 0.082 0.000 0.680 479 A CB 1.983 21.044 19.000 0.103 0.000 1.279 479 A HN -0.000 nan 8.150 nan 0.000 0.411 480 M N 0.813 120.667 119.600 0.423 0.000 2.446 480 M HA 0.560 5.036 4.480 -0.006 0.000 0.294 480 M C -1.568 174.980 176.300 0.413 0.000 1.158 480 M CA -0.115 55.499 55.300 0.523 0.000 0.899 480 M CB 2.097 34.976 32.600 0.465 0.000 1.687 480 M HN 0.798 nan 8.290 nan 0.000 0.455 481 E N 1.799 122.180 120.200 0.301 0.000 2.238 481 E HA 0.647 4.993 4.350 -0.006 0.000 0.267 481 E C -1.403 175.268 176.600 0.118 0.000 0.887 481 E CA -0.722 55.741 56.400 0.104 0.000 0.769 481 E CB 2.428 32.037 29.700 -0.152 0.000 1.187 481 E HN 0.708 nan 8.360 nan 0.000 0.416 482 S N 1.911 117.718 115.700 0.179 0.000 2.540 482 S HA 0.541 5.007 4.470 -0.006 0.000 0.275 482 S C -1.319 173.506 174.600 0.374 0.000 1.123 482 S CA -1.054 57.318 58.200 0.287 0.000 0.907 482 S CB 1.967 65.364 63.200 0.328 0.000 1.081 482 S HN 0.381 nan 8.310 nan 0.000 0.476 483 D N 1.539 122.175 120.400 0.394 0.000 2.936 483 D HA 0.437 5.074 4.640 -0.006 0.000 0.238 483 D C -1.482 175.063 176.300 0.408 0.000 1.248 483 D CA -0.184 53.967 54.000 0.252 0.000 0.903 483 D CB 1.789 42.636 40.800 0.078 0.000 1.544 483 D HN 0.795 nan 8.370 nan 0.000 0.543 484 W N 1.856 123.131 121.300 -0.042 0.000 2.998 484 W HA 0.634 5.290 4.660 -0.006 0.000 0.335 484 W C -1.973 174.427 176.519 -0.199 0.000 1.110 484 W CA -1.241 56.054 57.345 -0.083 0.000 1.230 484 W CB 0.951 30.334 29.460 -0.128 0.000 1.405 484 W HN 0.139 nan 8.180 nan 0.000 0.493 485 L N 4.578 125.788 121.223 -0.021 0.000 2.325 485 L HA 0.697 5.033 4.340 -0.006 0.000 0.281 485 L C -1.226 175.576 176.870 -0.114 0.000 1.004 485 L CA -0.971 53.795 54.840 -0.124 0.000 0.823 485 L CB 1.711 43.753 42.059 -0.028 0.000 1.236 485 L HN 0.472 nan 8.230 nan 0.000 0.415 486 V N 4.231 124.005 119.914 -0.233 0.000 2.350 486 V HA 0.316 4.433 4.120 -0.006 0.000 0.276 486 V C -0.450 175.674 176.094 0.049 0.000 1.028 486 V CA -0.638 61.555 62.300 -0.178 0.000 0.860 486 V CB 1.295 32.935 31.823 -0.305 0.000 0.990 486 V HN 0.746 nan 8.190 nan 0.000 0.453 487 D N 3.218 123.727 120.400 0.182 0.000 2.411 487 D HA 0.080 4.717 4.640 -0.006 0.000 0.225 487 D C 0.614 177.080 176.300 0.277 0.000 1.156 487 D CA 0.047 54.173 54.000 0.209 0.000 0.874 487 D CB 0.402 41.334 40.800 0.220 0.000 1.034 487 D HN 0.627 nan 8.370 nan 0.000 0.502 488 H N 3.364 122.559 119.070 0.208 0.000 2.520 488 H HA 0.248 4.800 4.556 -0.006 0.000 0.284 488 H C 1.064 176.584 175.328 0.320 0.000 1.037 488 H CA 0.570 56.789 56.048 0.285 0.000 1.168 488 H CB 0.224 30.183 29.762 0.329 0.000 1.497 488 H HN 0.711 nan 8.280 nan 0.000 0.547 489 G N 1.800 110.761 108.800 0.269 0.000 2.633 489 G HA2 -0.282 3.674 3.960 -0.006 0.000 0.263 489 G HA3 -0.282 3.674 3.960 -0.006 0.000 0.263 489 G C -1.521 173.510 174.900 0.218 0.000 1.310 489 G CA 0.056 45.306 45.100 0.249 0.000 0.914 489 G HN 0.303 nan 8.290 nan 0.000 0.569 490 P HA 0.129 nan 4.420 nan 0.000 0.240 490 P C -0.308 176.939 177.300 -0.089 0.000 1.190 490 P CA 1.027 64.034 63.100 -0.155 0.000 0.781 490 P CB 0.222 31.634 31.700 -0.479 0.000 0.931 491 Y N 0.389 120.840 120.300 0.252 0.000 2.328 491 Y HA 0.238 4.784 4.550 -0.006 0.000 0.336 491 Y C 1.812 177.854 175.900 0.237 0.000 0.960 491 Y CA -1.376 56.760 58.100 0.061 0.000 1.134 491 Y CB 1.245 39.580 38.460 -0.209 0.000 1.166 491 Y HN -0.140 nan 8.280 nan 0.000 0.464 492 S N 0.436 116.199 115.700 0.106 0.000 2.489 492 S HA -0.083 4.384 4.470 -0.006 0.000 0.228 492 S C 0.266 174.828 174.600 -0.063 0.000 0.995 492 S CA 0.004 58.159 58.200 -0.076 0.000 0.934 492 S CB -0.711 62.190 63.200 -0.499 0.000 0.771 492 S HN 0.744 nan 8.310 nan 0.000 0.522 493 E N 1.600 121.783 120.200 -0.029 0.000 2.868 493 E HA -0.121 4.226 4.350 -0.006 0.000 0.246 493 E C -0.543 175.979 176.600 -0.131 0.000 0.962 493 E CA 0.255 56.448 56.400 -0.345 0.000 0.955 493 E CB -0.863 28.616 29.700 -0.370 0.000 0.903 493 E HN 0.574 nan 8.360 nan 0.000 0.524 494 F N 1.318 121.355 119.950 0.145 0.000 2.973 494 F HA -0.275 4.249 4.527 -0.005 0.000 0.299 494 F C 1.673 177.523 175.800 0.084 0.000 0.737 494 F CA 0.467 58.585 58.000 0.196 0.000 1.151 494 F CB -1.715 37.542 39.000 0.428 0.000 1.440 494 F HN 0.698 nan 8.300 nan 0.000 0.367 495 G N 0.897 109.568 108.800 -0.214 0.000 2.402 495 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.216 495 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.216 495 G C 1.245 175.977 174.900 -0.279 0.000 1.162 495 G CA 1.197 45.939 45.100 -0.598 0.000 0.777 495 G HN 0.533 nan 8.290 nan 0.000 0.539 496 D N 0.942 121.054 120.400 -0.479 0.000 2.097 496 D HA -0.117 4.520 4.640 -0.006 0.000 0.195 496 D C 2.261 178.038 176.300 -0.873 0.000 0.989 496 D CA 0.714 54.063 54.000 -1.086 0.000 0.827 496 D CB -0.844 38.732 40.800 -2.040 0.000 0.966 496 D HN 0.256 nan 8.370 nan 0.000 0.456 497 L N -0.184 120.635 121.223 -0.673 0.000 2.042 497 L HA -0.057 4.279 4.340 -0.006 0.000 0.210 497 L C 2.205 179.172 176.870 0.162 0.000 1.076 497 L CA 1.347 56.161 54.840 -0.043 0.000 0.749 497 L CB -0.893 41.369 42.059 0.338 0.000 0.893 497 L HN 0.174 nan 8.230 nan 0.000 0.432 498 L N -0.987 120.305 121.223 0.116 0.000 2.042 498 L HA -0.189 4.148 4.340 -0.006 0.000 0.210 498 L C 2.283 179.298 176.870 0.243 0.000 1.076 498 L CA 2.491 57.294 54.840 -0.061 0.000 0.749 498 L CB -1.157 40.959 42.059 0.096 0.000 0.893 498 L HN 0.360 nan 8.230 nan 0.000 0.432 499 T N -0.101 114.575 114.554 0.203 0.000 2.746 499 T HA -0.186 4.161 4.350 -0.006 0.000 0.267 499 T C 1.808 176.829 174.700 0.536 0.000 1.039 499 T CA 1.553 63.824 62.100 0.286 0.000 1.142 499 T CB -0.468 68.521 68.868 0.202 0.000 0.866 499 T HN 0.336 nan 8.240 nan 0.000 0.444 500 L N 1.540 123.049 121.223 0.477 0.000 2.127 500 L HA -0.058 4.279 4.340 -0.006 0.000 0.211 500 L C 2.310 179.456 176.870 0.460 0.000 1.089 500 L CA 1.626 56.777 54.840 0.518 0.000 0.757 500 L CB -0.489 41.897 42.059 0.545 0.000 0.899 500 L HN -0.004 nan 8.230 nan 0.000 0.434 501 R N -0.053 120.718 120.500 0.452 0.000 2.159 501 R HA -0.082 4.255 4.340 -0.006 0.000 0.237 501 R C 2.153 178.732 176.300 0.465 0.000 1.131 501 R CA 1.095 57.502 56.100 0.512 0.000 0.982 501 R CB -1.333 29.247 30.300 0.467 0.000 0.868 501 R HN 0.593 nan 8.270 nan 0.000 0.453 502 G N 0.497 109.542 108.800 0.408 0.000 2.422 502 G HA2 -0.193 3.763 3.960 -0.006 0.000 0.218 502 G HA3 -0.193 3.763 3.960 -0.006 0.000 0.218 502 G C 1.559 176.216 174.900 -0.405 0.000 1.140 502 G CA 0.773 45.730 45.100 -0.239 0.000 0.775 502 G HN 0.414 nan 8.290 nan 0.000 0.545 503 A N 0.321 123.210 122.820 0.115 0.000 1.929 503 A HA 0.010 4.327 4.320 -0.006 0.000 0.216 503 A C 2.309 179.915 177.584 0.036 0.000 1.176 503 A CA 1.706 53.861 52.037 0.195 0.000 0.628 503 A CB -0.249 18.970 19.000 0.366 0.000 0.816 503 A HN 0.446 nan 8.150 nan 0.000 0.444 504 Q N -2.091 117.686 119.800 -0.039 0.000 2.187 504 Q HA 0.067 4.404 4.340 -0.006 0.000 0.199 504 Q C 1.034 176.655 176.000 -0.633 0.000 0.957 504 Q CA 1.258 56.834 55.803 -0.377 0.000 0.857 504 Q CB -0.028 28.387 28.738 -0.538 0.000 0.929 504 Q HN 0.778 nan 8.270 nan 0.000 0.453 505 F N -0.596 119.422 119.950 0.114 0.000 2.752 505 F HA 0.272 4.795 4.527 -0.006 0.000 0.310 505 F C 0.537 176.351 175.800 0.023 0.000 1.097 505 F CA -0.549 57.505 58.000 0.090 0.000 1.238 505 F CB 0.864 39.946 39.000 0.137 0.000 1.061 505 F HN -0.147 nan 8.300 nan 0.000 0.591 506 I N 1.372 121.984 120.570 0.069 0.000 2.662 506 I HA 0.128 4.294 4.170 -0.006 0.000 0.285 506 I C 1.394 177.582 176.117 0.118 0.000 1.161 506 I CA 0.873 62.186 61.300 0.021 0.000 1.415 506 I CB -0.142 37.785 38.000 -0.122 0.000 1.385 506 I HN 0.476 nan 8.210 nan 0.000 0.552 507 G N 4.412 113.328 108.800 0.193 0.000 2.162 507 G HA2 -0.249 3.708 3.960 -0.006 0.000 0.260 507 G HA3 -0.249 3.708 3.960 -0.006 0.000 0.260 507 G C 0.473 175.509 174.900 0.227 0.000 0.976 507 G CA 0.004 45.306 45.100 0.336 0.000 0.655 507 G HN 0.993 nan 8.290 nan 0.000 0.533 508 A N -0.649 122.257 122.820 0.143 0.000 2.531 508 A HA 0.648 4.965 4.320 -0.006 0.000 0.236 508 A C 1.924 179.324 177.584 -0.307 0.000 1.062 508 A CA 2.092 54.175 52.037 0.077 0.000 0.760 508 A CB 0.172 19.335 19.000 0.272 0.000 0.995 508 A HN 2.364 nan 8.150 nan 0.000 0.501 509 G N 0.075 108.452 108.800 -0.705 0.000 2.316 509 G HA2 -0.153 3.804 3.960 -0.006 0.000 0.203 509 G HA3 -0.153 3.804 3.960 -0.006 0.000 0.203 509 G C -0.057 173.678 174.900 -1.941 0.000 0.999 509 G CA 0.228 44.455 45.100 -1.454 0.000 0.649 509 G HN 0.933 nan 8.290 nan 0.000 0.489 510 Y N 0.089 119.966 120.300 -0.705 0.000 2.562 510 Y HA 0.679 5.226 4.550 -0.006 0.000 0.343 510 Y C 0.203 176.091 175.900 -0.021 0.000 1.025 510 Y CA -1.227 56.661 58.100 -0.353 0.000 1.082 510 Y CB 1.260 39.576 38.460 -0.241 0.000 1.264 510 Y HN 0.058 nan 8.280 nan 0.000 0.478 511 N N 2.099 120.927 118.700 0.213 0.000 2.420 511 N HA 0.279 5.015 4.740 -0.006 0.000 0.262 511 N C -1.404 174.178 175.510 0.120 0.000 1.144 511 N CA 0.243 53.413 53.050 0.200 0.000 0.952 511 N CB 0.074 38.641 38.487 0.133 0.000 1.081 511 N HN 0.537 nan 8.380 nan 0.000 0.480 512 I N 5.739 126.390 120.570 0.134 0.000 2.537 512 I HA 0.250 4.416 4.170 -0.006 0.000 0.276 512 I C -1.780 174.395 176.117 0.096 0.000 1.063 512 I CA -1.866 59.494 61.300 0.101 0.000 1.144 512 I CB 1.978 40.064 38.000 0.143 0.000 1.252 512 I HN 0.432 nan 8.210 nan 0.000 0.480 513 P HA -0.038 nan 4.420 nan 0.000 0.221 513 P C -0.285 177.058 177.300 0.072 0.000 1.150 513 P CA 1.207 64.343 63.100 0.060 0.000 0.800 513 P CB 0.202 31.925 31.700 0.038 0.000 0.787 514 N N 0.240 118.993 118.700 0.089 0.000 2.448 514 N HA 0.361 5.097 4.740 -0.006 0.000 0.279 514 N C -0.757 174.845 175.510 0.152 0.000 1.025 514 N CA -0.291 52.824 53.050 0.108 0.000 0.898 514 N CB 2.065 40.612 38.487 0.101 0.000 1.303 514 N HN -0.010 nan 8.380 nan 0.000 0.495 515 I N 1.662 122.321 120.570 0.148 0.000 2.569 515 I HA 0.405 4.572 4.170 -0.006 0.000 0.290 515 I C -0.481 175.727 176.117 0.152 0.000 1.088 515 I CA -0.725 60.681 61.300 0.176 0.000 1.047 515 I CB 2.083 40.186 38.000 0.171 0.000 1.237 515 I HN 0.065 nan 8.210 nan 0.000 0.421 516 R N 3.977 124.571 120.500 0.156 0.000 2.502 516 R HA 0.771 5.108 4.340 -0.006 0.000 0.300 516 R C -0.527 175.851 176.300 0.129 0.000 0.984 516 R CA -0.733 55.435 56.100 0.114 0.000 0.882 516 R CB 2.064 32.408 30.300 0.074 0.000 1.180 516 R HN 0.920 nan 8.270 nan 0.000 0.444 517 G N 1.083 109.972 108.800 0.148 0.000 2.684 517 G HA2 0.646 4.602 3.960 -0.006 0.000 0.290 517 G HA3 0.646 4.602 3.960 -0.006 0.000 0.290 517 G C -2.031 172.895 174.900 0.044 0.000 1.425 517 G CA -0.437 44.787 45.100 0.208 0.000 0.822 517 G HN 0.315 nan 8.290 nan 0.000 0.482 518 L N 0.410 121.527 121.223 -0.176 0.000 2.562 518 L HA 0.734 5.071 4.340 -0.006 0.000 0.266 518 L C 0.121 176.213 176.870 -1.296 0.000 0.949 518 L CA -0.124 54.383 54.840 -0.554 0.000 0.879 518 L CB 1.808 43.662 42.059 -0.342 0.000 1.278 518 L HN 0.956 nan 8.230 nan 0.000 0.404 519 G N 3.953 111.620 108.800 -1.889 0.000 2.367 519 G HA2 0.724 4.680 3.960 -0.006 0.000 0.314 519 G HA3 0.724 4.680 3.960 -0.006 0.000 0.314 519 G C -0.958 173.316 174.900 -1.043 0.000 1.130 519 G CA -0.616 43.101 45.100 -2.305 0.000 0.864 519 G HN 0.591 nan 8.290 nan 0.000 0.486 520 R N 0.696 120.713 120.500 -0.804 0.000 2.621 520 R HA 0.524 4.860 4.340 -0.006 0.000 0.292 520 R C -0.905 175.162 176.300 -0.388 0.000 0.969 520 R CA -0.693 55.112 56.100 -0.491 0.000 0.887 520 R CB 2.326 32.398 30.300 -0.380 0.000 1.180 520 R HN 0.511 nan 8.270 nan 0.000 0.450 521 T N 1.465 115.809 114.554 -0.350 0.000 2.794 521 T HA 0.356 4.702 4.350 -0.006 0.000 0.280 521 T C -0.813 173.527 174.700 -0.600 0.000 0.987 521 T CA -0.629 61.204 62.100 -0.445 0.000 0.993 521 T CB 1.761 70.293 68.868 -0.561 0.000 0.939 521 T HN 0.222 nan 8.240 nan 0.000 0.449 522 V N 2.490 122.193 119.914 -0.352 0.000 2.588 522 V HA 0.768 4.884 4.120 -0.006 0.000 0.304 522 V C -0.276 175.861 176.094 0.071 0.000 1.042 522 V CA -0.943 61.250 62.300 -0.179 0.000 0.877 522 V CB 1.355 33.129 31.823 -0.082 0.000 0.996 522 V HN 1.148 nan 8.190 nan 0.000 0.425 523 A N 4.880 127.858 122.820 0.263 0.000 2.450 523 A HA 0.706 5.023 4.320 -0.006 0.000 0.255 523 A C 0.463 178.166 177.584 0.199 0.000 1.096 523 A CA 0.606 52.858 52.037 0.359 0.000 0.778 523 A CB 0.244 19.493 19.000 0.416 0.000 1.031 523 A HN 1.384 nan 8.150 nan 0.000 0.494 524 T N -0.772 113.903 114.554 0.201 0.000 2.831 524 T HA 0.429 4.776 4.350 -0.006 0.000 0.287 524 T C 0.154 174.941 174.700 0.145 0.000 1.070 524 T CA -0.602 61.609 62.100 0.185 0.000 1.010 524 T CB 1.052 70.058 68.868 0.229 0.000 1.264 524 T HN 0.437 nan 8.240 nan 0.000 0.532 525 N N -0.453 118.331 118.700 0.140 0.000 2.270 525 N HA 0.140 4.876 4.740 -0.006 0.000 0.198 525 N C 0.267 175.875 175.510 0.165 0.000 1.117 525 N CA -0.259 52.843 53.050 0.087 0.000 0.845 525 N CB -0.002 38.480 38.487 -0.008 0.000 0.980 525 N HN 0.470 nan 8.380 nan 0.000 0.486 526 H N 0.378 119.553 119.070 0.174 0.000 2.408 526 H HA 0.257 4.811 4.556 -0.004 0.000 0.345 526 H C 0.194 175.673 175.328 0.251 0.000 1.547 526 H CA -0.521 55.658 56.048 0.218 0.000 1.447 526 H CB 0.730 30.620 29.762 0.212 0.000 1.686 526 H HN -0.271 nan 8.280 nan 0.000 0.625 527 V N 2.563 122.879 119.914 0.669 0.000 2.673 527 V HA -0.139 3.977 4.120 -0.006 0.000 0.303 527 V C 0.312 176.600 176.094 0.324 0.000 1.046 527 V CA 0.173 62.749 62.300 0.460 0.000 1.126 527 V CB -0.417 31.608 31.823 0.336 0.000 0.934 527 V HN 0.722 nan 8.190 nan 0.000 0.487 528 W N 3.677 125.066 121.300 0.148 0.000 2.148 528 W HA 0.529 5.185 4.660 -0.006 0.000 0.347 528 W C 0.617 177.141 176.519 0.008 0.000 1.288 528 W CA -0.377 57.009 57.345 0.067 0.000 1.252 528 W CB 0.352 29.914 29.460 0.170 0.000 1.156 528 W HN 0.789 nan 8.180 nan 0.000 0.580 529 G N 2.833 111.454 108.800 -0.298 0.000 2.355 529 G HA2 0.451 4.408 3.960 -0.006 0.000 0.276 529 G HA3 0.451 4.408 3.960 -0.006 0.000 0.276 529 G C -1.159 173.640 174.900 -0.169 0.000 1.198 529 G CA -0.669 44.167 45.100 -0.441 0.000 0.876 529 G HN 0.578 nan 8.290 nan 0.000 0.478 530 S N 0.137 115.806 115.700 -0.052 0.000 2.566 530 S HA 0.709 5.176 4.470 -0.006 0.000 0.298 530 S C 0.499 175.312 174.600 0.354 0.000 1.083 530 S CA -0.340 57.973 58.200 0.189 0.000 0.978 530 S CB 1.846 65.046 63.200 -0.001 0.000 1.073 530 S HN 1.150 nan 8.310 nan 0.000 0.491 531 A N 1.747 124.781 122.820 0.357 0.000 2.587 531 A HA 0.365 4.681 4.320 -0.006 0.000 0.233 531 A C -0.731 177.126 177.584 0.455 0.000 1.049 531 A CA 0.566 52.776 52.037 0.289 0.000 0.754 531 A CB -0.427 18.416 19.000 -0.262 0.000 0.977 531 A HN 0.606 nan 8.150 nan 0.000 0.509 532 F N 3.116 123.219 119.950 0.256 0.000 2.539 532 F HA 0.430 4.953 4.527 -0.006 0.000 0.328 532 F C 0.614 176.435 175.800 0.034 0.000 1.148 532 F CA -1.275 56.824 58.000 0.165 0.000 0.940 532 F CB 1.141 40.052 39.000 -0.147 0.000 1.194 532 F HN 0.804 nan 8.300 nan 0.000 0.438 533 R N 4.040 124.810 120.500 0.449 0.000 4.211 533 R HA -0.045 4.291 4.340 -0.006 0.000 0.105 533 R C 1.048 177.341 176.300 -0.012 0.000 0.348 533 R CA 1.847 58.073 56.100 0.210 0.000 0.774 533 R CB -0.715 29.772 30.300 0.311 0.000 1.120 533 R HN 1.299 nan 8.270 nan 0.000 0.212 534 G N 3.349 112.002 108.800 -0.245 0.000 2.339 534 G HA2 -0.361 3.595 3.960 -0.006 0.000 0.209 534 G HA3 -0.361 3.595 3.960 -0.006 0.000 0.209 534 G C 0.061 174.631 174.900 -0.549 0.000 1.015 534 G CA 0.053 44.786 45.100 -0.610 0.000 0.635 534 G HN 1.002 nan 8.290 nan 0.000 0.499 535 Y N 0.849 120.977 120.300 -0.286 0.000 2.929 535 Y HA -0.013 4.533 4.550 -0.006 0.000 0.184 535 Y C 1.757 177.666 175.900 0.015 0.000 1.541 535 Y CA 2.300 60.363 58.100 -0.062 0.000 0.948 535 Y CB -0.887 37.593 38.460 0.033 0.000 1.494 535 Y HN 2.204 nan 8.280 nan 0.000 0.342 536 G N 1.345 109.969 108.800 -0.294 0.000 2.336 536 G HA2 -0.355 3.602 3.960 -0.006 0.000 0.233 536 G HA3 -0.355 3.602 3.960 -0.006 0.000 0.233 536 G C 1.087 175.723 174.900 -0.440 0.000 1.053 536 G CA 0.763 45.639 45.100 -0.373 0.000 0.625 536 G HN 1.621 nan 8.290 nan 0.000 0.511 537 A N 1.452 124.072 122.820 -0.333 0.000 1.898 537 A HA 0.339 4.655 4.320 -0.006 0.000 0.216 537 A C 0.536 177.921 177.584 -0.332 0.000 1.181 537 A CA 2.537 54.376 52.037 -0.330 0.000 0.620 537 A CB -1.039 17.649 19.000 -0.519 0.000 0.819 537 A HN 0.462 nan 8.150 nan 0.000 0.442 538 P HA -0.153 nan 4.420 nan 0.000 0.218 538 P C 1.198 178.379 177.300 -0.198 0.000 1.148 538 P CA 1.446 64.414 63.100 -0.220 0.000 0.822 538 P CB -0.001 31.416 31.700 -0.473 0.000 0.784 539 Q N -1.030 118.438 119.800 -0.553 0.000 2.008 539 Q HA -0.050 4.287 4.340 -0.006 0.000 0.196 539 Q C 2.386 178.178 176.000 -0.347 0.000 0.973 539 Q CA 1.629 57.061 55.803 -0.619 0.000 0.826 539 Q CB -1.138 26.714 28.738 -1.475 0.000 0.894 539 Q HN 0.098 nan 8.270 nan 0.000 0.439 540 S N 0.475 115.901 115.700 -0.457 0.000 2.351 540 S HA -0.155 4.311 4.470 -0.006 0.000 0.220 540 S C 1.889 176.423 174.600 -0.110 0.000 1.035 540 S CA 1.569 59.666 58.200 -0.171 0.000 1.031 540 S CB -0.264 62.894 63.200 -0.070 0.000 0.928 540 S HN 0.326 nan 8.310 nan 0.000 0.433 541 M N -0.258 119.275 119.600 -0.112 0.000 2.419 541 M HA 0.038 4.514 4.480 -0.006 0.000 0.264 541 M C 1.863 178.042 176.300 -0.202 0.000 1.082 541 M CA 0.734 55.964 55.300 -0.116 0.000 1.119 541 M CB -0.435 32.103 32.600 -0.104 0.000 1.398 541 M HN 0.273 nan 8.290 nan 0.000 0.453 542 F N 1.864 121.618 119.950 -0.326 0.000 2.095 542 F HA -0.191 4.333 4.527 -0.005 0.000 0.298 542 F C 2.403 177.917 175.800 -0.475 0.000 1.104 542 F CA 1.710 59.484 58.000 -0.376 0.000 1.232 542 F CB -0.436 38.443 39.000 -0.201 0.000 0.987 542 F HN 0.070 nan 8.300 nan 0.000 0.475 543 A N 0.014 122.534 122.820 -0.501 0.000 1.858 543 A HA -0.217 4.100 4.320 -0.006 0.000 0.216 543 A C 2.382 179.449 177.584 -0.861 0.000 1.190 543 A CA 2.628 54.057 52.037 -1.012 0.000 0.617 543 A CB -1.513 17.269 19.000 -0.362 0.000 0.827 543 A HN 0.528 nan 8.150 nan 0.000 0.443 544 S N -0.723 114.746 115.700 -0.386 0.000 2.406 544 S HA -0.085 4.381 4.470 -0.006 0.000 0.228 544 S C 1.564 176.133 174.600 -0.052 0.000 1.020 544 S CA 1.206 59.320 58.200 -0.143 0.000 0.965 544 S CB -0.237 63.032 63.200 0.115 0.000 0.798 544 S HN 0.529 nan 8.310 nan 0.000 0.488 545 E N 0.775 120.864 120.200 -0.186 0.000 2.170 545 E HA 0.065 4.412 4.350 -0.006 0.000 0.191 545 E C 2.218 178.672 176.600 -0.243 0.000 0.981 545 E CA 0.599 56.916 56.400 -0.138 0.000 0.830 545 E CB -0.630 28.972 29.700 -0.162 0.000 0.775 545 E HN 0.571 nan 8.360 nan 0.000 0.470 546 C N 0.699 119.700 119.300 -0.498 0.000 2.446 546 C HA -0.079 4.377 4.460 -0.006 0.000 0.277 546 C C 2.708 177.583 174.990 -0.192 0.000 1.275 546 C CA 0.265 59.005 59.018 -0.462 0.000 1.727 546 C CB -0.952 26.290 27.740 -0.829 0.000 2.010 546 C HN 0.318 nan 8.230 nan 0.000 0.486 547 L N 0.219 121.317 121.223 -0.208 0.000 2.141 547 L HA -0.084 4.253 4.340 -0.006 0.000 0.209 547 L C 2.402 179.398 176.870 0.210 0.000 1.094 547 L CA 1.814 56.684 54.840 0.051 0.000 0.763 547 L CB -0.563 41.409 42.059 -0.146 0.000 0.908 547 L HN 0.212 nan 8.230 nan 0.000 0.437 548 M N -0.999 118.731 119.600 0.218 0.000 2.108 548 M HA -0.221 4.256 4.480 -0.006 0.000 0.261 548 M C 1.866 178.179 176.300 0.020 0.000 1.066 548 M CA 1.579 56.943 55.300 0.106 0.000 1.107 548 M CB -1.246 31.327 32.600 -0.045 0.000 1.356 548 M HN 0.233 nan 8.290 nan 0.000 0.406 549 D N -0.108 120.290 120.400 -0.002 0.000 2.178 549 D HA -0.089 4.548 4.640 -0.006 0.000 0.201 549 D C 2.030 178.346 176.300 0.026 0.000 0.980 549 D CA 1.041 55.038 54.000 -0.006 0.000 0.842 549 D CB -0.126 40.656 40.800 -0.030 0.000 0.948 549 D HN 0.320 nan 8.370 nan 0.000 0.472 550 M N -0.503 119.135 119.600 0.063 0.000 2.132 550 M HA -0.082 4.394 4.480 -0.006 0.000 0.263 550 M C 1.937 178.293 176.300 0.093 0.000 1.065 550 M CA 0.671 56.028 55.300 0.094 0.000 1.122 550 M CB -0.100 32.592 32.600 0.153 0.000 1.365 550 M HN 0.058 nan 8.290 nan 0.000 0.411 551 L N 0.847 122.138 121.223 0.112 0.000 2.017 551 L HA -0.090 4.247 4.340 -0.006 0.000 0.208 551 L C 2.565 179.449 176.870 0.023 0.000 1.073 551 L CA 2.196 57.086 54.840 0.084 0.000 0.745 551 L CB -0.969 41.145 42.059 0.092 0.000 0.894 551 L HN 0.212 nan 8.230 nan 0.000 0.432 552 A N -0.714 122.108 122.820 0.002 0.000 1.883 552 A HA -0.312 4.005 4.320 -0.006 0.000 0.217 552 A C 2.330 179.921 177.584 0.011 0.000 1.186 552 A CA 1.988 54.020 52.037 -0.008 0.000 0.624 552 A CB -0.875 18.116 19.000 -0.015 0.000 0.822 552 A HN 0.652 nan 8.150 nan 0.000 0.444 553 E N -0.301 119.913 120.200 0.024 0.000 2.058 553 E HA -0.277 4.070 4.350 -0.006 0.000 0.194 553 E C 2.074 178.692 176.600 0.029 0.000 0.997 553 E CA 1.728 58.145 56.400 0.029 0.000 0.801 553 E CB -0.157 29.565 29.700 0.037 0.000 0.746 553 E HN 0.615 nan 8.360 nan 0.000 0.450 554 K N 0.063 120.484 120.400 0.035 0.000 2.148 554 K HA -0.071 4.246 4.320 -0.006 0.000 0.204 554 K C 2.022 178.634 176.600 0.021 0.000 1.050 554 K CA 0.854 57.162 56.287 0.034 0.000 0.942 554 K CB 0.032 32.560 32.500 0.046 0.000 0.724 554 K HN 0.196 nan 8.250 nan 0.000 0.446 555 L N -0.449 120.781 121.223 0.012 0.000 2.492 555 L HA 0.116 4.452 4.340 -0.006 0.000 0.223 555 L C 1.027 177.900 176.870 0.005 0.000 1.132 555 L CA 0.480 55.322 54.840 0.002 0.000 0.850 555 L CB -0.049 42.003 42.059 -0.012 0.000 0.966 555 L HN 0.493 nan 8.230 nan 0.000 0.454 556 G N 1.081 109.887 108.800 0.010 0.000 2.221 556 G HA2 -0.338 3.618 3.960 -0.006 0.000 0.265 556 G HA3 -0.338 3.618 3.960 -0.006 0.000 0.265 556 G C -0.009 174.898 174.900 0.011 0.000 1.041 556 G CA 0.516 45.622 45.100 0.011 0.000 0.807 556 G HN 0.321 nan 8.290 nan 0.000 0.502 557 M N 0.111 119.716 119.600 0.009 0.000 2.508 557 M HA 0.524 5.000 4.480 -0.006 0.000 0.327 557 M C -0.069 176.242 176.300 0.020 0.000 1.160 557 M CA -0.882 54.423 55.300 0.008 0.000 0.980 557 M CB 1.148 33.744 32.600 -0.007 0.000 1.693 557 M HN 0.161 nan 8.290 nan 0.000 0.452 558 D N 4.701 125.121 120.400 0.033 0.000 2.425 558 D HA 0.133 4.770 4.640 -0.006 0.000 0.247 558 D C -1.652 174.668 176.300 0.034 0.000 1.147 558 D CA -1.207 52.833 54.000 0.066 0.000 0.879 558 D CB 1.124 41.986 40.800 0.103 0.000 1.179 558 D HN 0.293 nan 8.370 nan 0.000 0.456 559 P HA -0.159 nan 4.420 nan 0.000 0.220 559 P C 1.445 178.691 177.300 -0.090 0.000 1.148 559 P CA 0.424 63.507 63.100 -0.028 0.000 0.803 559 P CB 0.183 31.875 31.700 -0.012 0.000 0.782 560 L N 0.426 121.548 121.223 -0.169 0.000 2.056 560 L HA -0.090 4.247 4.340 -0.006 0.000 0.207 560 L C 2.207 179.036 176.870 -0.068 0.000 1.078 560 L CA 1.997 56.697 54.840 -0.233 0.000 0.749 560 L CB -1.185 40.556 42.059 -0.529 0.000 0.901 560 L HN -0.212 nan 8.230 nan 0.000 0.433 561 E N -0.492 119.693 120.200 -0.025 0.000 2.150 561 E HA -0.196 4.150 4.350 -0.006 0.000 0.193 561 E C 2.143 178.768 176.600 0.042 0.000 0.985 561 E CA 1.154 57.572 56.400 0.030 0.000 0.814 561 E CB -0.613 29.100 29.700 0.021 0.000 0.752 561 E HN 0.435 nan 8.360 nan 0.000 0.466 562 L N 1.276 122.489 121.223 -0.018 0.000 2.046 562 L HA -0.132 4.205 4.340 -0.006 0.000 0.208 562 L C 2.208 179.013 176.870 -0.108 0.000 1.077 562 L CA 1.655 56.451 54.840 -0.073 0.000 0.747 562 L CB -0.174 41.818 42.059 -0.112 0.000 0.896 562 L HN -0.080 nan 8.230 nan 0.000 0.432 563 R N -1.779 118.680 120.500 -0.067 0.000 2.073 563 R HA -0.230 4.106 4.340 -0.006 0.000 0.234 563 R C 2.294 178.656 176.300 0.103 0.000 1.134 563 R CA 1.895 58.008 56.100 0.022 0.000 0.952 563 R CB -0.919 29.441 30.300 0.099 0.000 0.850 563 R HN 0.388 nan 8.270 nan 0.000 0.433 564 Y N 2.106 122.392 120.300 -0.024 0.000 2.151 564 Y HA -0.334 4.213 4.550 -0.006 0.000 0.284 564 Y C 2.370 178.261 175.900 -0.016 0.000 1.166 564 Y CA 2.000 60.090 58.100 -0.016 0.000 1.163 564 Y CB -0.130 38.315 38.460 -0.024 0.000 0.974 564 Y HN -0.123 nan 8.280 nan 0.000 0.511 565 K N 0.230 120.649 120.400 0.032 0.000 2.097 565 K HA -0.119 4.198 4.320 -0.006 0.000 0.205 565 K C 1.394 177.936 176.600 -0.097 0.000 1.050 565 K CA 2.044 58.301 56.287 -0.049 0.000 0.938 565 K CB -0.242 32.241 32.500 -0.027 0.000 0.718 565 K HN 0.335 nan 8.250 nan 0.000 0.442 566 N N -0.017 118.638 118.700 -0.076 0.000 2.282 566 N HA 0.115 4.851 4.740 -0.006 0.000 0.185 566 N C -0.361 175.203 175.510 0.090 0.000 1.099 566 N CA 0.461 53.490 53.050 -0.035 0.000 0.878 566 N CB 0.439 38.816 38.487 -0.183 0.000 0.993 566 N HN 0.190 nan 8.380 nan 0.000 0.481 567 A N 1.034 123.883 122.820 0.049 0.000 2.483 567 A HA 0.091 4.408 4.320 -0.006 0.000 0.238 567 A C -0.462 177.103 177.584 -0.032 0.000 1.070 567 A CA -0.172 51.838 52.037 -0.046 0.000 0.770 567 A CB -0.249 18.700 19.000 -0.086 0.000 1.008 567 A HN 0.140 nan 8.150 nan 0.000 0.497 568 Y N 1.216 121.499 120.300 -0.028 0.000 2.895 568 Y HA 0.134 4.681 4.550 -0.006 0.000 0.334 568 Y C 1.273 177.241 175.900 0.114 0.000 1.261 568 Y CA 1.081 59.212 58.100 0.053 0.000 1.560 568 Y CB 0.055 38.540 38.460 0.042 0.000 1.253 568 Y HN 0.625 nan 8.280 nan 0.000 0.582 569 R N 3.362 123.976 120.500 0.189 0.000 2.808 569 R HA 0.422 4.758 4.340 -0.006 0.000 0.272 569 R C -2.880 173.019 176.300 -0.668 0.000 0.995 569 R CA -2.366 53.601 56.100 -0.221 0.000 0.917 569 R CB 1.771 31.958 30.300 -0.188 0.000 1.217 569 R HN 0.259 nan 8.270 nan 0.000 0.471 570 P HA -0.045 nan 4.420 nan 0.000 0.262 570 P C 0.465 177.529 177.300 -0.395 0.000 1.182 570 P CA 1.352 63.826 63.100 -1.043 0.000 0.761 570 P CB 0.514 31.787 31.700 -0.712 0.000 0.795 571 G N 2.154 110.835 108.800 -0.198 0.000 2.279 571 G HA2 -0.176 3.781 3.960 -0.006 0.000 0.223 571 G HA3 -0.176 3.781 3.960 -0.006 0.000 0.223 571 G C 0.001 174.888 174.900 -0.022 0.000 1.015 571 G CA -0.323 44.728 45.100 -0.081 0.000 0.621 571 G HN 0.498 nan 8.290 nan 0.000 0.506 572 D N 1.684 122.085 120.400 0.002 0.000 2.357 572 D HA 0.538 5.175 4.640 -0.006 0.000 0.242 572 D C 0.956 177.273 176.300 0.029 0.000 1.153 572 D CA 1.220 55.256 54.000 0.060 0.000 0.918 572 D CB 1.232 42.127 40.800 0.159 0.000 1.181 572 D HN 0.589 nan 8.370 nan 0.000 0.435 573 T N -1.801 112.758 114.554 0.009 0.000 2.907 573 T HA 0.519 4.865 4.350 -0.006 0.000 0.292 573 T C 0.122 174.778 174.700 -0.073 0.000 1.043 573 T CA -1.135 60.925 62.100 -0.067 0.000 1.003 573 T CB 1.406 70.261 68.868 -0.023 0.000 1.084 573 T HN 0.350 nan 8.240 nan 0.000 0.483 574 N N 0.943 119.522 118.700 -0.202 0.000 2.327 574 N HA 0.318 5.054 4.740 -0.006 0.000 0.257 574 N C -2.119 173.405 175.510 0.022 0.000 1.281 574 N CA -2.049 50.951 53.050 -0.084 0.000 0.942 574 N CB -0.734 37.596 38.487 -0.261 0.000 1.199 574 N HN 0.238 nan 8.380 nan 0.000 0.532 575 P HA -0.095 nan 4.420 nan 0.000 0.219 575 P C 0.596 177.914 177.300 0.030 0.000 1.146 575 P CA 1.722 64.856 63.100 0.057 0.000 0.808 575 P CB -0.146 31.580 31.700 0.044 0.000 0.779 576 T N -5.550 108.998 114.554 -0.010 0.000 3.188 576 T HA 0.385 4.732 4.350 -0.006 0.000 0.250 576 T C 1.375 176.075 174.700 0.000 0.000 1.077 576 T CA 0.284 62.384 62.100 0.000 0.000 0.967 576 T CB -0.857 68.002 68.868 -0.016 0.000 1.006 576 T HN 0.219 nan 8.240 nan 0.000 0.552 577 G N 0.906 109.705 108.800 -0.002 0.000 2.141 577 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.242 577 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.242 577 G C -0.227 174.662 174.900 -0.018 0.000 0.982 577 G CA 0.188 45.287 45.100 -0.001 0.000 0.662 577 G HN 0.903 nan 8.290 nan 0.000 0.527 578 Q N 0.256 120.031 119.800 -0.041 0.000 2.230 578 Q HA 0.570 4.907 4.340 -0.006 0.000 0.253 578 Q C 0.012 175.956 176.000 -0.092 0.000 0.919 578 Q CA -0.600 55.177 55.803 -0.044 0.000 0.908 578 Q CB 0.891 29.619 28.738 -0.016 0.000 1.245 578 Q HN 0.364 nan 8.270 nan 0.000 0.437 579 E N 4.199 124.366 120.200 -0.055 0.000 2.316 579 E HA 0.218 4.565 4.350 -0.006 0.000 0.275 579 E C -2.256 174.252 176.600 -0.154 0.000 1.029 579 E CA -1.697 54.667 56.400 -0.060 0.000 0.871 579 E CB 0.735 30.460 29.700 0.042 0.000 1.022 579 E HN 0.388 nan 8.360 nan 0.000 0.418 580 P HA -0.074 nan 4.420 nan 0.000 0.268 580 P C 0.043 177.050 177.300 -0.488 0.000 1.208 580 P CA 0.055 62.840 63.100 -0.525 0.000 0.777 580 P CB 0.612 31.767 31.700 -0.909 0.000 0.875 581 E N 1.556 121.588 120.200 -0.279 0.000 2.250 581 E HA -0.000 4.346 4.350 -0.006 0.000 0.192 581 E C 0.368 176.822 176.600 -0.244 0.000 0.986 581 E CA 0.815 57.130 56.400 -0.141 0.000 0.849 581 E CB -0.260 29.476 29.700 0.060 0.000 0.797 581 E HN 0.290 nan 8.360 nan 0.000 0.482 582 V N -2.380 117.252 119.914 -0.470 0.000 3.130 582 V HA 0.664 4.780 4.120 -0.006 0.000 0.310 582 V C -1.173 174.365 176.094 -0.927 0.000 1.158 582 V CA -1.236 60.809 62.300 -0.424 0.000 1.029 582 V CB 1.482 33.249 31.823 -0.094 0.000 1.057 582 V HN -0.035 nan 8.190 nan 0.000 0.436 583 F N 1.552 121.383 119.950 -0.197 0.000 2.686 583 F HA 0.538 5.062 4.527 -0.006 0.000 0.365 583 F C 1.067 176.645 175.800 -0.370 0.000 1.196 583 F CA -0.007 57.836 58.000 -0.263 0.000 1.198 583 F CB 1.706 40.634 39.000 -0.119 0.000 1.454 583 F HN 0.667 nan 8.300 nan 0.000 0.539 584 S N -0.238 115.162 115.700 -0.501 0.000 2.523 584 S HA 0.149 4.616 4.470 -0.006 0.000 0.217 584 S C 1.491 175.927 174.600 -0.273 0.000 0.996 584 S CA -0.071 57.725 58.200 -0.674 0.000 0.921 584 S CB -0.024 62.648 63.200 -0.879 0.000 0.829 584 S HN 0.536 nan 8.310 nan 0.000 0.495 585 L N 1.429 122.532 121.223 -0.200 0.000 2.027 585 L HA 0.060 4.396 4.340 -0.006 0.000 0.206 585 L C -0.770 176.091 176.870 -0.015 0.000 1.074 585 L CA 1.154 55.935 54.840 -0.098 0.000 0.745 585 L CB -1.559 40.426 42.059 -0.123 0.000 0.898 585 L HN 0.213 nan 8.230 nan 0.000 0.433 586 P HA -0.167 nan 4.420 nan 0.000 0.216 586 P C 0.874 178.295 177.300 0.202 0.000 1.153 586 P CA 1.407 64.543 63.100 0.060 0.000 0.858 586 P CB 0.011 31.655 31.700 -0.093 0.000 0.789 587 D N -1.399 119.071 120.400 0.118 0.000 2.097 587 D HA -0.131 4.506 4.640 -0.006 0.000 0.195 587 D C 1.965 178.329 176.300 0.106 0.000 0.989 587 D CA 1.275 55.358 54.000 0.139 0.000 0.827 587 D CB -0.628 40.287 40.800 0.192 0.000 0.966 587 D HN 0.161 nan 8.370 nan 0.000 0.456 588 M N -0.172 119.465 119.600 0.062 0.000 2.117 588 M HA -0.108 4.369 4.480 -0.006 0.000 0.262 588 M C 2.267 178.589 176.300 0.038 0.000 1.065 588 M CA 1.014 56.335 55.300 0.036 0.000 1.114 588 M CB -0.126 32.472 32.600 -0.004 0.000 1.361 588 M HN 0.006 nan 8.290 nan 0.000 0.408 589 I N 0.032 120.647 120.570 0.075 0.000 2.252 589 I HA -0.303 3.864 4.170 -0.006 0.000 0.245 589 I C 1.885 178.011 176.117 0.015 0.000 1.102 589 I CA 1.117 62.458 61.300 0.068 0.000 1.385 589 I CB -0.509 37.608 38.000 0.196 0.000 1.064 589 I HN 0.247 nan 8.210 nan 0.000 0.414 590 D N 0.481 120.910 120.400 0.049 0.000 2.144 590 D HA -0.193 4.444 4.640 -0.006 0.000 0.199 590 D C 2.232 178.528 176.300 -0.007 0.000 0.984 590 D CA 1.247 55.230 54.000 -0.029 0.000 0.834 590 D CB -0.174 40.649 40.800 0.039 0.000 0.955 590 D HN 0.452 nan 8.370 nan 0.000 0.465 591 Q N -0.390 119.425 119.800 0.025 0.000 2.230 591 Q HA -0.051 4.285 4.340 -0.006 0.000 0.202 591 Q C 2.078 178.087 176.000 0.016 0.000 0.963 591 Q CA 0.310 56.127 55.803 0.023 0.000 0.866 591 Q CB 0.102 28.861 28.738 0.036 0.000 0.931 591 Q HN 0.168 nan 8.270 nan 0.000 0.452 592 L N 0.713 121.942 121.223 0.011 0.000 2.240 592 L HA -0.060 4.276 4.340 -0.006 0.000 0.211 592 L C 2.270 179.169 176.870 0.049 0.000 1.106 592 L CA 1.315 56.167 54.840 0.019 0.000 0.793 592 L CB -0.329 41.729 42.059 -0.002 0.000 0.927 592 L HN 0.020 nan 8.230 nan 0.000 0.446 593 R N 0.264 120.778 120.500 0.024 0.000 2.112 593 R HA -0.173 4.164 4.340 -0.006 0.000 0.242 593 R C -0.577 175.782 176.300 0.100 0.000 1.137 593 R CA 2.387 58.522 56.100 0.059 0.000 0.944 593 R CB -1.468 28.815 30.300 -0.029 0.000 0.857 593 R HN 0.355 nan 8.270 nan 0.000 0.435 594 P HA -0.114 nan 4.420 nan 0.000 0.219 594 P C 0.337 177.659 177.300 0.038 0.000 1.150 594 P CA 1.471 64.590 63.100 0.032 0.000 0.814 594 P CB -0.060 31.648 31.700 0.013 0.000 0.787 595 K N -1.082 119.352 120.400 0.056 0.000 2.097 595 K HA -0.162 4.155 4.320 -0.006 0.000 0.205 595 K C 2.372 179.025 176.600 0.089 0.000 1.050 595 K CA 1.193 57.514 56.287 0.057 0.000 0.938 595 K CB -0.646 31.886 32.500 0.054 0.000 0.718 595 K HN 0.167 nan 8.250 nan 0.000 0.442 596 Y N 1.983 122.277 120.300 -0.010 0.000 2.163 596 Y HA -0.268 4.278 4.550 -0.006 0.000 0.288 596 Y C 2.423 178.317 175.900 -0.009 0.000 1.136 596 Y CA 1.273 59.369 58.100 -0.007 0.000 1.147 596 Y CB 0.123 38.578 38.460 -0.009 0.000 0.987 596 Y HN 0.018 nan 8.280 nan 0.000 0.509 597 Q N 0.614 120.340 119.800 -0.123 0.000 2.061 597 Q HA -0.233 4.103 4.340 -0.006 0.000 0.204 597 Q C 2.557 178.461 176.000 -0.161 0.000 0.984 597 Q CA 1.635 57.316 55.803 -0.204 0.000 0.846 597 Q CB -0.996 27.702 28.738 -0.068 0.000 0.902 597 Q HN 0.666 nan 8.270 nan 0.000 0.421 598 A N 0.969 123.740 122.820 -0.082 0.000 1.902 598 A HA -0.103 4.214 4.320 -0.006 0.000 0.217 598 A C 2.335 179.877 177.584 -0.071 0.000 1.181 598 A CA 2.066 54.068 52.037 -0.059 0.000 0.623 598 A CB -0.694 18.291 19.000 -0.025 0.000 0.818 598 A HN 0.381 nan 8.150 nan 0.000 0.443 599 A N -0.357 122.416 122.820 -0.078 0.000 1.930 599 A HA -0.005 4.312 4.320 -0.006 0.000 0.217 599 A C 2.160 179.676 177.584 -0.113 0.000 1.175 599 A CA 1.414 53.411 52.037 -0.067 0.000 0.627 599 A CB -0.569 18.421 19.000 -0.018 0.000 0.815 599 A HN 0.472 nan 8.150 nan 0.000 0.443 600 L N -0.655 120.435 121.223 -0.221 0.000 2.046 600 L HA -0.214 4.123 4.340 -0.006 0.000 0.208 600 L C 2.594 179.387 176.870 -0.127 0.000 1.077 600 L CA 1.704 56.413 54.840 -0.219 0.000 0.747 600 L CB -0.565 41.281 42.059 -0.354 0.000 0.896 600 L HN 0.481 nan 8.230 nan 0.000 0.432 601 E N -0.070 120.062 120.200 -0.114 0.000 2.107 601 E HA -0.242 4.105 4.350 -0.006 0.000 0.191 601 E C 2.099 178.669 176.600 -0.050 0.000 0.982 601 E CA 0.829 57.185 56.400 -0.073 0.000 0.809 601 E CB 0.003 29.664 29.700 -0.065 0.000 0.756 601 E HN 0.351 nan 8.360 nan 0.000 0.459 602 K N 1.162 121.534 120.400 -0.047 0.000 2.057 602 K HA -0.142 4.175 4.320 -0.006 0.000 0.207 602 K C 2.174 178.759 176.600 -0.025 0.000 1.049 602 K CA 1.177 57.446 56.287 -0.030 0.000 0.931 602 K CB -0.100 32.385 32.500 -0.024 0.000 0.714 602 K HN 0.066 nan 8.250 nan 0.000 0.440 603 A N 1.069 123.871 122.820 -0.031 0.000 1.883 603 A HA -0.240 4.076 4.320 -0.006 0.000 0.217 603 A C 2.070 179.644 177.584 -0.016 0.000 1.186 603 A CA 1.783 53.808 52.037 -0.019 0.000 0.624 603 A CB -0.679 18.306 19.000 -0.025 0.000 0.822 603 A HN 0.491 nan 8.150 nan 0.000 0.444 604 Q N -0.801 118.983 119.800 -0.027 0.000 2.084 604 Q HA -0.169 4.167 4.340 -0.006 0.000 0.202 604 Q C 2.202 178.194 176.000 -0.013 0.000 0.978 604 Q CA 1.908 57.699 55.803 -0.020 0.000 0.844 604 Q CB -0.154 28.567 28.738 -0.029 0.000 0.898 604 Q HN 0.717 nan 8.270 nan 0.000 0.426 605 K N 0.670 121.060 120.400 -0.016 0.000 2.097 605 K HA -0.154 4.162 4.320 -0.006 0.000 0.205 605 K C 1.222 177.818 176.600 -0.007 0.000 1.050 605 K CA 1.304 57.584 56.287 -0.012 0.000 0.938 605 K CB 0.211 32.702 32.500 -0.016 0.000 0.718 605 K HN 0.173 nan 8.250 nan 0.000 0.442 606 E N 0.147 120.344 120.200 -0.005 0.000 2.472 606 E HA 0.068 4.414 4.350 -0.006 0.000 0.196 606 E C -0.335 176.271 176.600 0.011 0.000 1.033 606 E CA -0.258 56.142 56.400 -0.001 0.000 0.886 606 E CB 0.821 30.519 29.700 -0.003 0.000 0.944 606 E HN 0.084 nan 8.360 nan 0.000 0.492 607 S N 1.604 117.313 115.700 0.015 0.000 2.562 607 S HA 0.091 4.558 4.470 -0.006 0.000 0.281 607 S C 0.472 175.092 174.600 0.034 0.000 1.333 607 S CA -0.062 58.157 58.200 0.031 0.000 1.052 607 S CB 0.901 64.115 63.200 0.022 0.000 0.884 607 S HN 0.292 nan 8.310 nan 0.000 0.506 608 T N -0.777 113.812 114.554 0.058 0.000 2.804 608 T HA 0.720 5.067 4.350 -0.006 0.000 0.272 608 T C 1.292 176.028 174.700 0.059 0.000 0.986 608 T CA -0.358 61.776 62.100 0.056 0.000 0.999 608 T CB 0.874 69.784 68.868 0.069 0.000 1.307 608 T HN 0.415 nan 8.240 nan 0.000 0.586 609 A N 0.506 123.357 122.820 0.053 0.000 1.933 609 A HA 0.029 4.345 4.320 -0.006 0.000 0.218 609 A C 2.381 179.988 177.584 0.038 0.000 1.175 609 A CA 2.274 54.334 52.037 0.039 0.000 0.628 609 A CB -1.612 17.407 19.000 0.032 0.000 0.814 609 A HN 1.065 nan 8.150 nan 0.000 0.444 610 T N -4.235 110.365 114.554 0.077 0.000 3.040 610 T HA 0.156 4.502 4.350 -0.006 0.000 0.252 610 T C 0.274 174.910 174.700 -0.106 0.000 1.064 610 T CA 0.620 62.736 62.100 0.027 0.000 1.110 610 T CB -0.226 68.712 68.868 0.117 0.000 0.921 610 T HN 0.437 nan 8.240 nan 0.000 0.480 611 H N 1.307 120.380 119.070 0.006 0.000 2.792 611 H HA 0.548 5.101 4.556 -0.006 0.000 0.298 611 H C -0.766 174.565 175.328 0.005 0.000 1.042 611 H CA -0.678 55.373 56.048 0.006 0.000 1.300 611 H CB 0.904 30.670 29.762 0.005 0.000 1.431 611 H HN 0.168 nan 8.280 nan 0.000 0.496 612 K N 3.111 123.543 120.400 0.053 0.000 2.211 612 K HA 0.352 4.669 4.320 -0.006 0.000 0.275 612 K C -0.248 176.375 176.600 0.039 0.000 1.024 612 K CA -0.630 55.679 56.287 0.037 0.000 0.887 612 K CB 1.586 34.092 32.500 0.011 0.000 1.084 612 K HN 0.396 nan 8.250 nan 0.000 0.463 613 K N 1.061 121.482 120.400 0.034 0.000 2.123 613 K HA 0.535 4.852 4.320 -0.006 0.000 0.259 613 K C -0.095 176.515 176.600 0.016 0.000 0.960 613 K CA -0.794 55.510 56.287 0.028 0.000 0.872 613 K CB 1.898 34.413 32.500 0.025 0.000 1.079 613 K HN 0.744 nan 8.250 nan 0.000 0.440 614 G N 0.250 109.061 108.800 0.018 0.000 2.690 614 G HA2 0.574 4.530 3.960 -0.006 0.000 0.291 614 G HA3 0.574 4.530 3.960 -0.006 0.000 0.291 614 G C -1.619 173.298 174.900 0.028 0.000 1.403 614 G CA -0.495 44.616 45.100 0.018 0.000 0.864 614 G HN 0.321 nan 8.290 nan 0.000 0.480 615 V N -0.299 119.640 119.914 0.042 0.000 2.638 615 V HA 0.893 5.010 4.120 -0.006 0.000 0.306 615 V C 0.396 176.574 176.094 0.139 0.000 1.052 615 V CA -0.216 62.136 62.300 0.086 0.000 0.885 615 V CB 1.779 33.643 31.823 0.068 0.000 0.999 615 V HN 1.258 nan 8.190 nan 0.000 0.424 616 G N 4.035 112.913 108.800 0.130 0.000 2.591 616 G HA2 0.770 4.726 3.960 -0.006 0.000 0.306 616 G HA3 0.770 4.726 3.960 -0.006 0.000 0.306 616 G C -1.425 173.520 174.900 0.075 0.000 1.334 616 G CA -0.514 44.642 45.100 0.093 0.000 0.981 616 G HN 0.396 nan 8.290 nan 0.000 0.491 617 I N 0.986 121.566 120.570 0.017 0.000 2.693 617 I HA 0.712 4.879 4.170 -0.006 0.000 0.303 617 I C 0.267 176.376 176.117 -0.015 0.000 1.025 617 I CA -0.812 60.473 61.300 -0.025 0.000 1.086 617 I CB 1.699 39.596 38.000 -0.171 0.000 1.268 617 I HN 0.690 nan 8.210 nan 0.000 0.440 618 S N 4.821 120.550 115.700 0.047 0.000 2.565 618 S HA 0.714 5.181 4.470 -0.006 0.000 0.269 618 S C -1.039 173.664 174.600 0.172 0.000 1.153 618 S CA -0.808 57.420 58.200 0.047 0.000 0.835 618 S CB 1.925 65.072 63.200 -0.088 0.000 1.122 618 S HN 0.384 nan 8.310 nan 0.000 0.462 619 I N 1.026 121.672 120.570 0.128 0.000 2.525 619 I HA 0.688 4.855 4.170 -0.006 0.000 0.301 619 I C 0.632 176.842 176.117 0.155 0.000 0.992 619 I CA -0.577 60.794 61.300 0.118 0.000 1.162 619 I CB 2.010 39.996 38.000 -0.024 0.000 1.332 619 I HN 0.957 nan 8.210 nan 0.000 0.458 620 G N 4.215 113.143 108.800 0.213 0.000 2.542 620 G HA2 0.700 4.657 3.960 -0.006 0.000 0.311 620 G HA3 0.700 4.657 3.960 -0.006 0.000 0.311 620 G C -1.488 173.460 174.900 0.079 0.000 1.298 620 G CA -0.362 44.855 45.100 0.195 0.000 0.973 620 G HN 0.364 nan 8.290 nan 0.000 0.487 621 V N 1.139 121.081 119.914 0.047 0.000 2.888 621 V HA 0.684 4.801 4.120 -0.006 0.000 0.309 621 V C -1.376 174.717 176.094 -0.002 0.000 1.114 621 V CA -0.777 61.538 62.300 0.025 0.000 0.940 621 V CB 1.767 33.687 31.823 0.162 0.000 1.021 621 V HN 0.857 nan 8.190 nan 0.000 0.426 622 Y N 0.668 120.818 120.300 -0.249 0.000 2.592 622 Y HA 0.622 5.169 4.550 -0.006 0.000 0.334 622 Y C 0.488 176.223 175.900 -0.275 0.000 1.136 622 Y CA -0.492 57.314 58.100 -0.491 0.000 1.042 622 Y CB 2.087 40.222 38.460 -0.542 0.000 1.325 622 Y HN 0.851 nan 8.280 nan 0.000 0.457 623 G N 1.392 109.594 108.800 -0.997 0.000 2.527 623 G HA2 0.400 4.357 3.960 -0.006 0.000 0.248 623 G HA3 0.400 4.357 3.960 -0.006 0.000 0.248 623 G C -1.020 173.310 174.900 -0.950 0.000 1.231 623 G CA -0.426 43.810 45.100 -1.439 0.000 0.838 623 G HN 0.468 nan 8.290 nan 0.000 0.570 624 S N 0.270 115.577 115.700 -0.655 0.000 2.532 624 S HA 0.756 5.223 4.470 -0.006 0.000 0.318 624 S C 0.417 174.883 174.600 -0.223 0.000 1.083 624 S CA 0.263 58.261 58.200 -0.337 0.000 1.131 624 S CB 0.802 63.883 63.200 -0.198 0.000 0.973 624 S HN 1.624 nan 8.310 nan 0.000 0.468 625 G N 2.141 110.847 108.800 -0.156 0.000 2.326 625 G HA2 0.112 4.069 3.960 -0.006 0.000 0.413 625 G HA3 0.112 4.069 3.960 -0.006 0.000 0.413 625 G C -1.475 173.521 174.900 0.160 0.000 1.444 625 G CA -1.184 43.942 45.100 0.043 0.000 1.002 625 G HN 0.555 nan 8.290 nan 0.000 0.649 626 L N 0.391 121.708 121.223 0.157 0.000 2.421 626 L HA 0.377 4.714 4.340 -0.006 0.000 0.263 626 L C 0.350 177.305 176.870 0.141 0.000 1.122 626 L CA -0.802 54.156 54.840 0.198 0.000 0.804 626 L CB 0.621 42.754 42.059 0.124 0.000 1.150 626 L HN 0.560 nan 8.230 nan 0.000 0.457 627 D N 1.149 121.588 120.400 0.064 0.000 2.472 627 D HA 0.387 5.024 4.640 -0.006 0.000 0.237 627 D C 0.648 176.616 176.300 -0.553 0.000 1.141 627 D CA 1.380 55.173 54.000 -0.345 0.000 0.875 627 D CB 0.645 41.344 40.800 -0.168 0.000 1.192 627 D HN 0.796 nan 8.370 nan 0.000 0.450 628 G N 2.424 110.770 108.800 -0.756 0.000 2.632 628 G HA2 -0.161 3.795 3.960 -0.006 0.000 0.224 628 G HA3 -0.161 3.795 3.960 -0.006 0.000 0.224 628 G C -2.430 172.255 174.900 -0.359 0.000 1.341 628 G CA -0.735 43.906 45.100 -0.764 0.000 0.880 628 G HN 0.517 nan 8.290 nan 0.000 0.566 629 P HA 0.274 nan 4.420 nan 0.000 0.231 629 P C -0.412 176.807 177.300 -0.135 0.000 1.811 629 P CA -0.090 62.903 63.100 -0.178 0.000 1.051 629 P CB 0.239 31.848 31.700 -0.151 0.000 1.951 630 D N 2.171 122.506 120.400 -0.109 0.000 2.400 630 D HA 0.323 4.960 4.640 -0.006 0.000 0.238 630 D C -0.227 176.035 176.300 -0.062 0.000 1.157 630 D CA 0.404 54.373 54.000 -0.051 0.000 0.889 630 D CB 0.765 41.565 40.800 -0.001 0.000 1.199 630 D HN 0.333 nan 8.370 nan 0.000 0.436 631 A N 1.185 123.984 122.820 -0.034 0.000 2.587 631 A HA 0.631 4.948 4.320 -0.006 0.000 0.293 631 A C -0.911 176.672 177.584 -0.002 0.000 1.087 631 A CA -0.519 51.502 52.037 -0.027 0.000 0.692 631 A CB 1.846 20.804 19.000 -0.071 0.000 1.291 631 A HN 0.436 nan 8.150 nan 0.000 0.407 632 S N -0.596 115.124 115.700 0.034 0.000 2.685 632 S HA 0.773 5.240 4.470 -0.006 0.000 0.282 632 S C -1.424 173.176 174.600 0.000 0.000 1.159 632 S CA -0.305 57.886 58.200 -0.015 0.000 0.833 632 S CB 1.836 65.010 63.200 -0.043 0.000 1.151 632 S HN 0.943 nan 8.310 nan 0.000 0.485 633 E N -0.059 120.112 120.200 -0.049 0.000 2.343 633 E HA 0.693 5.039 4.350 -0.006 0.000 0.278 633 E C -1.624 174.904 176.600 -0.120 0.000 0.910 633 E CA -0.796 55.584 56.400 -0.034 0.000 0.757 633 E CB 1.951 31.636 29.700 -0.024 0.000 1.218 633 E HN 0.853 nan 8.360 nan 0.000 0.435 634 A N 2.901 125.684 122.820 -0.061 0.000 2.587 634 A HA 0.723 5.039 4.320 -0.006 0.000 0.293 634 A C -2.019 175.619 177.584 0.091 0.000 1.087 634 A CA -0.760 51.214 52.037 -0.106 0.000 0.692 634 A CB 1.154 20.166 19.000 0.021 0.000 1.291 634 A HN 0.497 nan 8.150 nan 0.000 0.407 635 W N 0.521 121.912 121.300 0.151 0.000 2.600 635 W HA 0.665 5.322 4.660 -0.006 0.000 0.325 635 W C -0.049 176.608 176.519 0.229 0.000 1.034 635 W CA -1.397 56.037 57.345 0.147 0.000 1.226 635 W CB 1.501 30.999 29.460 0.063 0.000 1.379 635 W HN 1.013 nan 8.180 nan 0.000 0.466 636 A N 2.598 125.640 122.820 0.370 0.000 2.249 636 A HA 0.555 4.872 4.320 -0.006 0.000 0.314 636 A C -0.506 177.234 177.584 0.258 0.000 1.290 636 A CA -0.495 51.705 52.037 0.271 0.000 0.893 636 A CB 0.806 19.912 19.000 0.176 0.000 1.165 636 A HN 0.599 nan 8.150 nan 0.000 0.530 637 E N 2.709 123.074 120.200 0.274 0.000 2.176 637 E HA 0.450 4.797 4.350 -0.006 0.000 0.267 637 E C -1.467 175.239 176.600 0.176 0.000 0.893 637 E CA -0.760 55.789 56.400 0.248 0.000 0.761 637 E CB 1.223 31.146 29.700 0.372 0.000 1.133 637 E HN 0.604 nan 8.360 nan 0.000 0.409 638 L N 5.301 126.630 121.223 0.176 0.000 2.313 638 L HA 0.301 4.638 4.340 -0.006 0.000 0.282 638 L C -0.673 176.310 176.870 0.188 0.000 1.092 638 L CA -0.079 54.866 54.840 0.175 0.000 0.831 638 L CB 0.378 42.566 42.059 0.215 0.000 1.159 638 L HN 0.510 nan 8.230 nan 0.000 0.442 639 N N 3.589 122.306 118.700 0.027 0.000 2.458 639 N HA 0.308 5.045 4.740 -0.006 0.000 0.271 639 N C 0.859 175.997 175.510 -0.619 0.000 1.210 639 N CA 0.240 53.191 53.050 -0.166 0.000 0.978 639 N CB 1.378 39.803 38.487 -0.105 0.000 1.206 639 N HN 0.746 nan 8.380 nan 0.000 0.536 640 A N 0.500 122.749 122.820 -0.952 0.000 1.940 640 A HA -0.211 4.106 4.320 -0.006 0.000 0.219 640 A C 1.109 178.383 177.584 -0.516 0.000 1.176 640 A CA 2.007 53.282 52.037 -1.271 0.000 0.631 640 A CB -0.498 18.120 19.000 -0.637 0.000 0.814 640 A HN 0.782 nan 8.150 nan 0.000 0.446 641 D N -2.407 117.822 120.400 -0.286 0.000 2.319 641 D HA 0.304 4.941 4.640 -0.006 0.000 0.230 641 D C 1.135 177.390 176.300 -0.075 0.000 1.094 641 D CA 0.844 54.766 54.000 -0.129 0.000 0.856 641 D CB -0.587 40.162 40.800 -0.085 0.000 0.915 641 D HN 0.768 nan 8.370 nan 0.000 0.517 642 G N 0.187 108.937 108.800 -0.082 0.000 2.205 642 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.261 642 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.261 642 G C 0.609 175.506 174.900 -0.004 0.000 0.980 642 G CA 0.659 45.755 45.100 -0.008 0.000 0.632 642 G HN 0.811 nan 8.290 nan 0.000 0.533 643 T N -0.986 113.553 114.554 -0.024 0.000 2.766 643 T HA 0.652 4.998 4.350 -0.006 0.000 0.295 643 T C 0.312 175.012 174.700 0.001 0.000 1.024 643 T CA -0.127 61.967 62.100 -0.011 0.000 1.018 643 T CB 1.820 70.676 68.868 -0.019 0.000 1.002 643 T HN 0.625 nan 8.240 nan 0.000 0.532 644 I N 1.047 121.623 120.570 0.009 0.000 2.466 644 I HA 0.281 4.448 4.170 -0.006 0.000 0.289 644 I C -0.164 175.957 176.117 0.006 0.000 1.026 644 I CA -0.785 60.532 61.300 0.028 0.000 1.078 644 I CB 2.367 40.388 38.000 0.036 0.000 1.249 644 I HN 0.709 nan 8.210 nan 0.000 0.429 645 T N 5.615 120.165 114.554 -0.007 0.000 2.767 645 T HA 0.362 4.709 4.350 -0.006 0.000 0.284 645 T C -0.133 174.510 174.700 -0.096 0.000 0.973 645 T CA -0.407 61.617 62.100 -0.127 0.000 0.996 645 T CB 1.453 70.152 68.868 -0.283 0.000 0.927 645 T HN 0.161 nan 8.240 nan 0.000 0.456 646 V N 5.861 125.730 119.914 -0.075 0.000 2.304 646 V HA 0.204 4.321 4.120 -0.006 0.000 0.269 646 V C 0.262 176.352 176.094 -0.006 0.000 1.036 646 V CA -0.845 61.479 62.300 0.040 0.000 0.840 646 V CB -0.153 31.722 31.823 0.087 0.000 1.036 646 V HN 0.852 nan 8.190 nan 0.000 0.466 647 H N 3.876 123.005 119.070 0.098 0.000 2.742 647 H HA 0.501 5.053 4.556 -0.006 0.000 0.302 647 H C 0.452 175.674 175.328 -0.175 0.000 1.069 647 H CA 0.033 56.082 56.048 0.002 0.000 1.446 647 H CB 1.472 31.292 29.762 0.096 0.000 1.462 647 H HN 0.715 nan 8.280 nan 0.000 0.499 648 T N -0.992 113.554 114.554 -0.013 0.000 2.816 648 T HA 0.561 4.908 4.350 -0.006 0.000 0.299 648 T C 0.003 174.710 174.700 0.011 0.000 1.230 648 T CA -0.955 61.115 62.100 -0.049 0.000 1.007 648 T CB 1.686 70.615 68.868 0.101 0.000 1.289 648 T HN 0.476 nan 8.240 nan 0.000 0.508 649 A N 0.892 123.724 122.820 0.019 0.000 3.003 649 A HA 0.379 4.695 4.320 -0.006 0.000 0.301 649 A C -0.212 177.463 177.584 0.151 0.000 1.280 649 A CA -0.680 51.416 52.037 0.099 0.000 0.973 649 A CB -0.719 18.373 19.000 0.153 0.000 1.110 649 A HN 0.707 nan 8.150 nan 0.000 0.590 650 W N 2.199 123.472 121.300 -0.045 0.000 2.659 650 W HA 0.390 5.046 4.660 -0.006 0.000 0.342 650 W C -0.813 175.671 176.519 -0.059 0.000 1.287 650 W CA -0.826 56.486 57.345 -0.055 0.000 1.460 650 W CB -0.257 29.158 29.460 -0.075 0.000 1.503 650 W HN 0.405 nan 8.180 nan 0.000 0.483 651 E N 3.153 123.538 120.200 0.308 0.000 2.316 651 E HA -0.002 4.344 4.350 -0.006 0.000 0.275 651 E C -0.525 176.151 176.600 0.127 0.000 1.029 651 E CA 0.230 56.712 56.400 0.135 0.000 0.871 651 E CB 0.633 30.336 29.700 0.005 0.000 1.022 651 E HN 0.107 nan 8.360 nan 0.000 0.418 652 D N 1.658 122.075 120.400 0.028 0.000 2.443 652 D HA 0.087 4.723 4.640 -0.006 0.000 0.221 652 D C 0.280 176.610 176.300 0.049 0.000 1.097 652 D CA -0.171 53.825 54.000 -0.007 0.000 0.865 652 D CB 0.264 40.981 40.800 -0.139 0.000 1.034 652 D HN 0.530 nan 8.370 nan 0.000 0.511 653 H N 2.400 121.435 119.070 -0.057 0.000 2.491 653 H HA 0.032 4.584 4.556 -0.006 0.000 0.290 653 H C 1.257 176.522 175.328 -0.104 0.000 1.050 653 H CA 0.895 56.867 56.048 -0.128 0.000 1.309 653 H CB 0.807 30.424 29.762 -0.242 0.000 1.392 653 H HN 0.658 nan 8.280 nan 0.000 0.554 654 G N 0.680 109.523 108.800 0.071 0.000 2.318 654 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.172 654 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.172 654 G C 1.284 176.174 174.900 -0.016 0.000 1.002 654 G CA 0.351 45.476 45.100 0.042 0.000 0.697 654 G HN 0.404 nan 8.290 nan 0.000 0.483 655 Q N 1.411 121.188 119.800 -0.038 0.000 2.224 655 Q HA 0.285 4.622 4.340 -0.006 0.000 0.203 655 Q C 1.498 177.432 176.000 -0.111 0.000 0.970 655 Q CA 2.213 57.978 55.803 -0.063 0.000 0.865 655 Q CB -0.294 28.407 28.738 -0.062 0.000 0.922 655 Q HN 1.875 nan 8.270 nan 0.000 0.445 656 G N 0.098 108.781 108.800 -0.195 0.000 2.245 656 G HA2 0.031 3.988 3.960 -0.006 0.000 0.116 656 G HA3 0.031 3.988 3.960 -0.006 0.000 0.116 656 G C 0.679 175.213 174.900 -0.610 0.000 1.054 656 G CA 0.293 45.195 45.100 -0.331 0.000 0.728 656 G HN 0.584 nan 8.290 nan 0.000 0.483 657 A N 0.832 123.180 122.820 -0.787 0.000 1.948 657 A HA -0.039 4.278 4.320 -0.006 0.000 0.220 657 A C 2.290 179.050 177.584 -1.374 0.000 1.177 657 A CA 2.569 53.685 52.037 -1.534 0.000 0.636 657 A CB -0.343 17.977 19.000 -1.133 0.000 0.815 657 A HN 0.839 nan 8.150 nan 0.000 0.449 658 D N 0.183 119.887 120.400 -1.160 0.000 2.084 658 D HA -0.174 4.463 4.640 -0.006 0.000 0.194 658 D C 1.693 177.552 176.300 -0.735 0.000 0.990 658 D CA 1.540 54.760 54.000 -1.300 0.000 0.826 658 D CB -0.816 39.037 40.800 -1.579 0.000 0.971 658 D HN 0.386 nan 8.370 nan 0.000 0.453 659 I N 1.371 121.603 120.570 -0.563 0.000 2.439 659 I HA 0.067 4.234 4.170 -0.006 0.000 0.251 659 I C 2.293 178.215 176.117 -0.326 0.000 1.139 659 I CA 1.310 62.406 61.300 -0.341 0.000 1.438 659 I CB -0.641 37.204 38.000 -0.259 0.000 1.085 659 I HN 0.102 nan 8.210 nan 0.000 0.427 660 G N -0.411 108.084 108.800 -0.509 0.000 2.446 660 G HA2 -0.346 3.610 3.960 -0.006 0.000 0.217 660 G HA3 -0.346 3.610 3.960 -0.006 0.000 0.217 660 G C 1.933 176.729 174.900 -0.172 0.000 1.168 660 G CA 1.012 45.886 45.100 -0.377 0.000 0.771 660 G HN 0.548 nan 8.290 nan 0.000 0.551 661 C N -0.123 118.930 119.300 -0.413 0.000 2.436 661 C HA 0.015 4.471 4.460 -0.006 0.000 0.277 661 C C 3.059 178.072 174.990 0.039 0.000 1.241 661 C CA 1.255 60.250 59.018 -0.038 0.000 1.721 661 C CB -0.998 26.680 27.740 -0.104 0.000 2.043 661 C HN 0.235 nan 8.230 nan 0.000 0.472 662 V N 1.263 121.153 119.914 -0.041 0.000 2.358 662 V HA -0.012 4.105 4.120 -0.006 0.000 0.246 662 V C 2.794 178.920 176.094 0.054 0.000 1.047 662 V CA 2.365 64.675 62.300 0.018 0.000 1.035 662 V CB -1.436 30.387 31.823 0.001 0.000 0.658 662 V HN 0.729 nan 8.190 nan 0.000 0.452 663 G N -0.732 108.089 108.800 0.035 0.000 2.408 663 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.217 663 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.217 663 G C 1.694 176.808 174.900 0.357 0.000 1.150 663 G CA 1.383 46.544 45.100 0.100 0.000 0.776 663 G HN 0.470 nan 8.290 nan 0.000 0.542 664 T N 1.702 116.504 114.554 0.413 0.000 2.737 664 T HA 0.058 4.404 4.350 -0.006 0.000 0.265 664 T C 2.837 177.745 174.700 0.346 0.000 1.038 664 T CA 1.405 63.839 62.100 0.557 0.000 1.144 664 T CB -0.358 68.818 68.868 0.513 0.000 0.866 664 T HN 0.342 nan 8.240 nan 0.000 0.434 665 A N 1.499 124.462 122.820 0.239 0.000 1.902 665 A HA -0.212 4.105 4.320 -0.006 0.000 0.217 665 A C 2.170 179.819 177.584 0.108 0.000 1.181 665 A CA 1.762 53.893 52.037 0.156 0.000 0.623 665 A CB -0.996 18.079 19.000 0.125 0.000 0.818 665 A HN 0.650 nan 8.150 nan 0.000 0.443 666 H N -0.349 118.738 119.070 0.029 0.000 2.319 666 H HA -0.177 4.375 4.556 -0.006 0.000 0.299 666 H C 2.124 177.410 175.328 -0.070 0.000 1.092 666 H CA 2.228 58.255 56.048 -0.035 0.000 1.302 666 H CB -0.069 29.644 29.762 -0.082 0.000 1.373 666 H HN 0.536 nan 8.280 nan 0.000 0.497 667 E N 0.681 120.879 120.200 -0.004 0.000 2.085 667 E HA -0.123 4.224 4.350 -0.006 0.000 0.194 667 E C 2.302 178.710 176.600 -0.321 0.000 0.994 667 E CA 1.621 57.830 56.400 -0.320 0.000 0.801 667 E CB -0.481 28.748 29.700 -0.785 0.000 0.743 667 E HN 0.501 nan 8.360 nan 0.000 0.453 668 A N -0.041 122.751 122.820 -0.047 0.000 1.969 668 A HA -0.055 4.261 4.320 -0.006 0.000 0.218 668 A C 2.072 179.640 177.584 -0.028 0.000 1.169 668 A CA 1.144 53.242 52.037 0.102 0.000 0.635 668 A CB -0.403 18.712 19.000 0.192 0.000 0.810 668 A HN 0.335 nan 8.150 nan 0.000 0.445 669 L N -1.099 120.060 121.223 -0.107 0.000 2.592 669 L HA 0.088 4.424 4.340 -0.006 0.000 0.227 669 L C 2.302 179.028 176.870 -0.239 0.000 1.127 669 L CA -0.103 54.642 54.840 -0.158 0.000 0.884 669 L CB -0.198 41.771 42.059 -0.149 0.000 1.065 669 L HN 0.325 nan 8.230 nan 0.000 0.457 670 R N 0.661 121.003 120.500 -0.264 0.000 2.117 670 R HA -0.170 4.167 4.340 -0.006 0.000 0.243 670 R C -0.309 175.893 176.300 -0.164 0.000 1.143 670 R CA 1.427 57.367 56.100 -0.266 0.000 0.968 670 R CB -1.466 28.693 30.300 -0.234 0.000 0.863 670 R HN 0.325 nan 8.270 nan 0.000 0.444 671 P HA -0.171 nan 4.420 nan 0.000 0.217 671 P C 1.118 178.363 177.300 -0.092 0.000 1.148 671 P CA 1.371 64.456 63.100 -0.025 0.000 0.828 671 P CB 0.036 31.772 31.700 0.060 0.000 0.783 672 M N -2.103 117.295 119.600 -0.338 0.000 2.428 672 M HA 0.256 4.733 4.480 -0.006 0.000 0.239 672 M C 0.378 176.514 176.300 -0.273 0.000 1.121 672 M CA 0.440 55.384 55.300 -0.593 0.000 1.019 672 M CB -0.026 32.051 32.600 -0.872 0.000 1.485 672 M HN 0.012 nan 8.290 nan 0.000 0.484 673 G N 1.822 110.510 108.800 -0.188 0.000 2.333 673 G HA2 -0.185 3.772 3.960 -0.006 0.000 0.296 673 G HA3 -0.185 3.772 3.960 -0.006 0.000 0.296 673 G C -0.462 174.374 174.900 -0.106 0.000 1.059 673 G CA 0.092 45.120 45.100 -0.119 0.000 1.050 673 G HN 0.345 nan 8.290 nan 0.000 0.508 674 V N 0.799 120.619 119.914 -0.157 0.000 2.385 674 V HA 0.661 4.778 4.120 -0.006 0.000 0.269 674 V C 1.085 177.185 176.094 0.011 0.000 1.043 674 V CA -0.339 61.909 62.300 -0.087 0.000 0.906 674 V CB 1.039 32.800 31.823 -0.103 0.000 0.995 674 V HN 1.203 nan 8.190 nan 0.000 0.467 675 A N 8.517 131.375 122.820 0.063 0.000 2.462 675 A HA 0.415 4.731 4.320 -0.006 0.000 0.243 675 A C -0.737 176.918 177.584 0.119 0.000 1.076 675 A CA -0.878 51.227 52.037 0.113 0.000 0.773 675 A CB 0.059 19.099 19.000 0.067 0.000 1.010 675 A HN 0.690 nan 8.150 nan 0.000 0.493 676 P HA -0.204 nan 4.420 nan 0.000 0.217 676 P C 1.083 178.396 177.300 0.022 0.000 1.150 676 P CA 1.500 64.548 63.100 -0.088 0.000 0.832 676 P CB 0.016 31.328 31.700 -0.646 0.000 0.787 677 E N 1.483 121.728 120.200 0.075 0.000 2.401 677 E HA -0.178 4.169 4.350 -0.006 0.000 0.199 677 E C 1.170 177.810 176.600 0.067 0.000 1.023 677 E CA 1.063 57.526 56.400 0.104 0.000 0.859 677 E CB -0.600 29.167 29.700 0.111 0.000 0.780 677 E HN 0.318 nan 8.360 nan 0.000 0.523 678 K N 0.516 120.948 120.400 0.054 0.000 2.404 678 K HA 0.269 4.586 4.320 -0.006 0.000 0.194 678 K C 0.458 177.076 176.600 0.030 0.000 1.023 678 K CA 0.039 56.347 56.287 0.035 0.000 1.094 678 K CB 0.480 32.998 32.500 0.030 0.000 0.841 678 K HN 0.156 nan 8.250 nan 0.000 0.523 679 I N 2.423 123.020 120.570 0.045 0.000 2.321 679 I HA 0.141 4.307 4.170 -0.006 0.000 0.291 679 I C -0.163 175.981 176.117 0.045 0.000 0.998 679 I CA -0.732 60.595 61.300 0.045 0.000 1.227 679 I CB 1.025 39.063 38.000 0.064 0.000 1.368 679 I HN -0.187 nan 8.210 nan 0.000 0.466 680 K N 6.749 127.151 120.400 0.002 0.000 2.164 680 K HA 0.530 4.846 4.320 -0.006 0.000 0.258 680 K C -0.600 175.965 176.600 -0.057 0.000 0.951 680 K CA -0.569 55.682 56.287 -0.059 0.000 0.844 680 K CB 2.256 34.674 32.500 -0.136 0.000 1.099 680 K HN 0.441 nan 8.250 nan 0.000 0.435 681 F N -1.098 118.758 119.950 -0.156 0.000 2.509 681 F HA 0.677 5.201 4.527 -0.006 0.000 0.334 681 F C 0.206 175.870 175.800 -0.227 0.000 1.060 681 F CA -0.946 56.927 58.000 -0.212 0.000 0.997 681 F CB 1.006 39.825 39.000 -0.303 0.000 1.271 681 F HN 0.398 nan 8.300 nan 0.000 0.488 682 T N -1.804 112.686 114.554 -0.106 0.000 2.841 682 T HA 0.414 4.760 4.350 -0.006 0.000 0.283 682 T C -1.235 173.474 174.700 0.016 0.000 1.000 682 T CA -0.663 61.367 62.100 -0.116 0.000 0.977 682 T CB 0.583 69.457 68.868 0.011 0.000 0.979 682 T HN 0.654 nan 8.240 nan 0.000 0.446 683 W N 2.730 124.085 121.300 0.091 0.000 2.181 683 W HA 0.384 5.040 4.660 -0.006 0.000 0.335 683 W C -2.296 174.277 176.519 0.090 0.000 1.310 683 W CA -1.635 55.793 57.345 0.138 0.000 1.226 683 W CB -0.203 29.319 29.460 0.103 0.000 1.155 683 W HN 0.482 nan 8.180 nan 0.000 0.565 684 P HA -0.020 nan 4.420 nan 0.000 0.267 684 P C -0.477 176.880 177.300 0.095 0.000 1.205 684 P CA 0.185 63.377 63.100 0.152 0.000 0.765 684 P CB 0.547 32.313 31.700 0.110 0.000 0.828 685 N N 1.607 120.337 118.700 0.049 0.000 2.503 685 N HA 0.063 4.799 4.740 -0.006 0.000 0.287 685 N C 0.547 176.013 175.510 -0.074 0.000 1.096 685 N CA -0.284 52.759 53.050 -0.011 0.000 0.936 685 N CB 1.313 39.850 38.487 0.084 0.000 1.570 685 N HN 0.245 nan 8.380 nan 0.000 0.504 686 T N 0.279 114.688 114.554 -0.243 0.000 2.995 686 T HA 0.041 4.388 4.350 -0.006 0.000 0.269 686 T C 1.573 176.236 174.700 -0.061 0.000 1.091 686 T CA 1.128 62.984 62.100 -0.407 0.000 1.128 686 T CB 0.070 68.614 68.868 -0.540 0.000 0.891 686 T HN 0.437 nan 8.240 nan 0.000 0.492 687 A N 1.952 124.763 122.820 -0.015 0.000 1.935 687 A HA 0.158 4.475 4.320 -0.006 0.000 0.214 687 A C 2.438 180.120 177.584 0.165 0.000 1.178 687 A CA 1.403 53.479 52.037 0.065 0.000 0.640 687 A CB -0.528 18.505 19.000 0.055 0.000 0.825 687 A HN 0.669 nan 8.150 nan 0.000 0.447 688 T N -3.378 111.289 114.554 0.188 0.000 3.091 688 T HA 0.291 4.638 4.350 -0.006 0.000 0.277 688 T C 0.355 175.249 174.700 0.323 0.000 0.996 688 T CA 0.605 62.870 62.100 0.275 0.000 0.897 688 T CB -0.410 68.602 68.868 0.240 0.000 1.109 688 T HN 0.534 nan 8.240 nan 0.000 0.534 689 T N 0.470 115.129 114.554 0.174 0.000 2.907 689 T HA 0.718 5.064 4.350 -0.006 0.000 0.292 689 T C -3.309 171.263 174.700 -0.213 0.000 1.043 689 T CA -2.162 59.873 62.100 -0.110 0.000 1.003 689 T CB 2.403 71.270 68.868 -0.003 0.000 1.084 689 T HN -0.109 nan 8.240 nan 0.000 0.483 690 P HA 0.214 nan 4.420 nan 0.000 0.274 690 P C -0.473 176.622 177.300 -0.342 0.000 1.246 690 P CA -0.561 62.267 63.100 -0.453 0.000 0.795 690 P CB 0.461 31.703 31.700 -0.763 0.000 1.006 691 N N 0.676 119.094 118.700 -0.470 0.000 2.671 691 N HA 0.020 4.757 4.740 -0.006 0.000 0.274 691 N C 0.554 175.856 175.510 -0.346 0.000 1.188 691 N CA 0.362 52.953 53.050 -0.765 0.000 1.065 691 N CB -0.827 37.267 38.487 -0.655 0.000 1.415 691 N HN 0.115 nan 8.380 nan 0.000 0.511 692 S N 0.726 116.280 115.700 -0.244 0.000 2.489 692 S HA 0.199 4.666 4.470 -0.006 0.000 0.228 692 S C 0.925 175.443 174.600 -0.136 0.000 0.995 692 S CA 0.393 58.498 58.200 -0.158 0.000 0.934 692 S CB -0.462 62.667 63.200 -0.118 0.000 0.771 692 S HN 0.880 nan 8.310 nan 0.000 0.522 693 G N 1.943 110.670 108.800 -0.123 0.000 2.712 693 G HA2 -0.107 3.850 3.960 -0.006 0.000 0.683 693 G HA3 -0.107 3.850 3.960 -0.006 0.000 0.683 693 G C -3.403 171.457 174.900 -0.066 0.000 1.320 693 G CA -0.951 44.097 45.100 -0.087 0.000 0.847 693 G HN 0.126 nan 8.290 nan 0.000 0.553 694 P HA 0.415 nan 4.420 nan 0.000 0.276 694 P C -0.047 177.267 177.300 0.023 0.000 1.244 694 P CA -0.231 62.833 63.100 -0.059 0.000 0.801 694 P CB 1.218 32.851 31.700 -0.110 0.000 1.006 695 S N 0.642 116.387 115.700 0.074 0.000 4.087 695 S HA 0.471 4.938 4.470 -0.006 0.000 0.213 695 S C 0.580 175.341 174.600 0.268 0.000 1.415 695 S CA -0.288 58.019 58.200 0.178 0.000 0.893 695 S CB -0.820 62.569 63.200 0.316 0.000 1.529 695 S HN 0.707 nan 8.310 nan 0.000 0.457 696 G N -0.523 108.374 108.800 0.162 0.000 2.619 696 G HA2 0.572 4.529 3.960 -0.006 0.000 0.296 696 G HA3 0.572 4.529 3.960 -0.006 0.000 0.296 696 G C 0.432 175.291 174.900 -0.068 0.000 1.334 696 G CA -0.253 44.868 45.100 0.034 0.000 0.934 696 G HN 0.691 nan 8.290 nan 0.000 0.476 697 G N -0.090 108.638 108.800 -0.121 0.000 2.176 697 G HA2 -0.021 3.936 3.960 -0.006 0.000 0.252 697 G HA3 -0.021 3.936 3.960 -0.006 0.000 0.252 697 G C 0.788 175.646 174.900 -0.070 0.000 1.024 697 G CA 0.803 45.868 45.100 -0.058 0.000 0.755 697 G HN 1.951 nan 8.290 nan 0.000 0.507 698 S N -1.776 113.899 115.700 -0.042 0.000 3.477 698 S HA -0.298 4.169 4.470 -0.006 0.000 0.371 698 S C 1.728 176.270 174.600 -0.096 0.000 0.965 698 S CA 1.937 60.104 58.200 -0.055 0.000 1.239 698 S CB -0.845 62.335 63.200 -0.033 0.000 0.918 698 S HN 1.449 nan 8.310 nan 0.000 0.498 699 R N -0.480 119.955 120.500 -0.108 0.000 2.316 699 R HA 0.220 4.557 4.340 -0.006 0.000 0.201 699 R C 1.659 177.817 176.300 -0.237 0.000 0.888 699 R CA -0.268 55.749 56.100 -0.138 0.000 1.041 699 R CB -0.088 30.156 30.300 -0.093 0.000 1.115 699 R HN 0.311 nan 8.270 nan 0.000 0.559 700 Q N 1.232 120.828 119.800 -0.340 0.000 2.083 700 Q HA -0.154 4.182 4.340 -0.006 0.000 0.198 700 Q C 1.849 177.325 176.000 -0.874 0.000 0.969 700 Q CA 1.605 56.945 55.803 -0.773 0.000 0.838 700 Q CB -0.080 27.894 28.738 -1.272 0.000 0.900 700 Q HN 0.304 nan 8.270 nan 0.000 0.436 701 Q N 0.653 120.182 119.800 -0.452 0.000 2.096 701 Q HA -0.114 4.223 4.340 -0.006 0.000 0.204 701 Q C 1.989 177.856 176.000 -0.221 0.000 0.982 701 Q CA 1.478 57.158 55.803 -0.203 0.000 0.850 701 Q CB -0.197 28.561 28.738 0.035 0.000 0.901 701 Q HN 0.177 nan 8.270 nan 0.000 0.422 702 V N -0.308 119.469 119.914 -0.228 0.000 2.255 702 V HA -0.216 3.901 4.120 -0.006 0.000 0.243 702 V C 2.236 178.122 176.094 -0.347 0.000 1.038 702 V CA 1.753 63.898 62.300 -0.259 0.000 1.008 702 V CB -0.499 31.222 31.823 -0.170 0.000 0.645 702 V HN 0.383 nan 8.190 nan 0.000 0.449 703 M N -0.145 119.314 119.600 -0.235 0.000 2.073 703 M HA -0.089 4.388 4.480 -0.006 0.000 0.259 703 M C 2.312 178.509 176.300 -0.172 0.000 1.079 703 M CA 2.036 57.279 55.300 -0.093 0.000 1.131 703 M CB -1.781 30.790 32.600 -0.048 0.000 1.316 703 M HN 0.331 nan 8.290 nan 0.000 0.415 704 T N 0.517 114.871 114.554 -0.334 0.000 2.904 704 T HA -0.001 4.345 4.350 -0.006 0.000 0.267 704 T C 1.857 176.397 174.700 -0.267 0.000 1.059 704 T CA 1.312 63.212 62.100 -0.333 0.000 1.137 704 T CB -0.647 67.903 68.868 -0.531 0.000 0.879 704 T HN 0.597 nan 8.240 nan 0.000 0.467 705 G N 2.236 110.833 108.800 -0.338 0.000 2.446 705 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.217 705 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.217 705 G C 1.685 176.453 174.900 -0.220 0.000 1.168 705 G CA 0.687 45.706 45.100 -0.135 0.000 0.771 705 G HN 0.379 nan 8.290 nan 0.000 0.551 706 N N 1.152 119.602 118.700 -0.416 0.000 2.120 706 N HA -0.094 4.643 4.740 -0.006 0.000 0.188 706 N C 2.553 177.901 175.510 -0.271 0.000 1.024 706 N CA 1.338 54.029 53.050 -0.599 0.000 0.852 706 N CB -0.468 37.199 38.487 -1.366 0.000 1.003 706 N HN 0.308 nan 8.380 nan 0.000 0.424 707 A N 1.208 123.968 122.820 -0.099 0.000 1.902 707 A HA -0.072 4.244 4.320 -0.006 0.000 0.217 707 A C 2.366 179.962 177.584 0.020 0.000 1.181 707 A CA 0.882 52.935 52.037 0.028 0.000 0.623 707 A CB -0.643 18.376 19.000 0.033 0.000 0.818 707 A HN 0.223 nan 8.150 nan 0.000 0.443 708 I N -0.867 119.708 120.570 0.008 0.000 2.163 708 I HA -0.287 3.879 4.170 -0.006 0.000 0.243 708 I C 2.728 178.874 176.117 0.048 0.000 1.085 708 I CA 1.816 63.155 61.300 0.065 0.000 1.347 708 I CB -0.320 37.755 38.000 0.125 0.000 1.044 708 I HN 0.417 nan 8.210 nan 0.000 0.408 709 R N 0.905 121.389 120.500 -0.026 0.000 2.083 709 R HA -0.169 4.167 4.340 -0.006 0.000 0.237 709 R C 2.283 178.567 176.300 -0.027 0.000 1.137 709 R CA 1.909 57.970 56.100 -0.065 0.000 0.951 709 R CB -0.321 29.783 30.300 -0.326 0.000 0.851 709 R HN 0.157 nan 8.270 nan 0.000 0.434 710 V N 1.301 121.200 119.914 -0.026 0.000 2.295 710 V HA -0.240 3.876 4.120 -0.006 0.000 0.246 710 V C 2.586 178.721 176.094 0.069 0.000 1.049 710 V CA 1.955 64.276 62.300 0.035 0.000 1.024 710 V CB -0.845 31.029 31.823 0.085 0.000 0.648 710 V HN 0.593 nan 8.190 nan 0.000 0.447 711 A N -1.006 121.866 122.820 0.088 0.000 1.908 711 A HA -0.273 4.044 4.320 -0.006 0.000 0.218 711 A C 2.363 180.011 177.584 0.107 0.000 1.181 711 A CA 2.340 54.449 52.037 0.121 0.000 0.627 711 A CB -1.144 17.950 19.000 0.156 0.000 0.818 711 A HN 0.599 nan 8.150 nan 0.000 0.445 712 C N -0.845 118.509 119.300 0.090 0.000 2.446 712 C HA -0.069 4.388 4.460 -0.006 0.000 0.277 712 C C 2.621 177.649 174.990 0.063 0.000 1.275 712 C CA 1.044 60.107 59.018 0.075 0.000 1.727 712 C CB -1.341 26.440 27.740 0.069 0.000 2.010 712 C HN 0.691 nan 8.230 nan 0.000 0.486 713 E N 1.107 121.343 120.200 0.059 0.000 2.097 713 E HA -0.217 4.129 4.350 -0.006 0.000 0.196 713 E C 1.738 178.381 176.600 0.071 0.000 1.000 713 E CA 1.384 57.819 56.400 0.059 0.000 0.804 713 E CB -0.214 29.513 29.700 0.045 0.000 0.740 713 E HN 0.610 nan 8.360 nan 0.000 0.454 714 N N 0.518 119.262 118.700 0.075 0.000 2.270 714 N HA -0.117 4.620 4.740 -0.006 0.000 0.181 714 N C 1.762 177.324 175.510 0.087 0.000 1.016 714 N CA 0.495 53.592 53.050 0.078 0.000 0.870 714 N CB -0.207 38.328 38.487 0.079 0.000 0.979 714 N HN 0.094 nan 8.380 nan 0.000 0.431 715 L N 1.039 122.317 121.223 0.092 0.000 2.056 715 L HA 0.011 4.347 4.340 -0.006 0.000 0.207 715 L C 1.901 178.835 176.870 0.106 0.000 1.078 715 L CA 1.192 56.090 54.840 0.096 0.000 0.749 715 L CB -0.545 41.569 42.059 0.092 0.000 0.901 715 L HN 0.076 nan 8.230 nan 0.000 0.433 716 L N -0.593 120.689 121.223 0.098 0.000 2.012 716 L HA -0.274 4.062 4.340 -0.006 0.000 0.210 716 L C 2.607 179.615 176.870 0.230 0.000 1.073 716 L CA 1.767 56.700 54.840 0.156 0.000 0.748 716 L CB -0.654 41.483 42.059 0.131 0.000 0.891 716 L HN 0.252 nan 8.230 nan 0.000 0.431 717 K N -0.042 120.448 120.400 0.150 0.000 2.097 717 K HA -0.134 4.183 4.320 -0.006 0.000 0.206 717 K C 2.198 178.873 176.600 0.125 0.000 1.049 717 K CA 1.322 57.682 56.287 0.121 0.000 0.933 717 K CB -0.290 32.260 32.500 0.082 0.000 0.717 717 K HN 0.292 nan 8.250 nan 0.000 0.442 718 A N 0.633 123.525 122.820 0.120 0.000 2.019 718 A HA -0.159 4.157 4.320 -0.006 0.000 0.219 718 A C 2.137 179.820 177.584 0.164 0.000 1.164 718 A CA 1.315 53.418 52.037 0.111 0.000 0.644 718 A CB -0.608 18.445 19.000 0.087 0.000 0.805 718 A HN 0.412 nan 8.150 nan 0.000 0.449 719 C N -0.487 118.952 119.300 0.232 0.000 2.634 719 C HA 0.175 4.632 4.460 -0.006 0.000 0.268 719 C C 0.968 176.189 174.990 0.385 0.000 1.322 719 C CA -0.731 58.492 59.018 0.342 0.000 1.737 719 C CB -1.008 26.935 27.740 0.340 0.000 1.976 719 C HN 0.552 nan 8.230 nan 0.000 0.547 720 E N 2.050 122.396 120.200 0.244 0.000 2.529 720 E HA -0.007 4.340 4.350 -0.006 0.000 0.259 720 E C 0.021 176.563 176.600 -0.097 0.000 0.966 720 E CA 0.693 57.050 56.400 -0.073 0.000 0.937 720 E CB 0.442 30.105 29.700 -0.062 0.000 0.923 720 E HN 0.441 nan 8.360 nan 0.000 0.468 721 K N 4.176 124.337 120.400 -0.398 0.000 2.172 721 K HA 0.245 4.561 4.320 -0.006 0.000 0.276 721 K C -2.338 174.118 176.600 -0.240 0.000 1.013 721 K CA -1.989 53.999 56.287 -0.498 0.000 0.913 721 K CB 0.873 32.977 32.500 -0.659 0.000 1.055 721 K HN 0.238 nan 8.250 nan 0.000 0.461 722 P HA -0.021 nan 4.420 nan 0.000 0.264 722 P C 0.505 177.743 177.300 -0.104 0.000 1.193 722 P CA 0.661 63.721 63.100 -0.067 0.000 0.763 722 P CB 0.608 32.306 31.700 -0.004 0.000 0.810 723 G N 1.614 110.357 108.800 -0.095 0.000 2.234 723 G HA2 0.119 4.075 3.960 -0.006 0.000 0.235 723 G HA3 0.119 4.075 3.960 -0.006 0.000 0.235 723 G C 0.366 175.196 174.900 -0.117 0.000 0.997 723 G CA 0.122 45.168 45.100 -0.091 0.000 0.623 723 G HN 1.108 nan 8.290 nan 0.000 0.514 724 G N -1.489 107.206 108.800 -0.174 0.000 2.525 724 G HA2 0.590 4.547 3.960 -0.006 0.000 0.685 724 G HA3 0.590 4.547 3.960 -0.006 0.000 0.685 724 G C 0.925 175.655 174.900 -0.284 0.000 1.285 724 G CA 1.013 45.987 45.100 -0.210 0.000 0.849 724 G HN 2.607 nan 8.290 nan 0.000 0.653 725 G N -0.506 108.068 108.800 -0.377 0.000 2.698 725 G HA2 0.350 4.307 3.960 -0.006 0.000 0.225 725 G HA3 0.350 4.307 3.960 -0.006 0.000 0.225 725 G C -0.712 173.750 174.900 -0.730 0.000 1.345 725 G CA 0.267 45.135 45.100 -0.387 0.000 0.871 725 G HN 1.947 nan 8.290 nan 0.000 0.540 726 Y N -1.486 118.729 120.300 -0.141 0.000 2.492 726 Y HA 0.605 5.152 4.550 -0.006 0.000 0.346 726 Y C 0.081 175.901 175.900 -0.133 0.000 0.997 726 Y CA -0.893 57.137 58.100 -0.118 0.000 1.025 726 Y CB 1.586 40.035 38.460 -0.019 0.000 1.263 726 Y HN 0.645 nan 8.280 nan 0.000 0.454 727 Y N 1.035 121.426 120.300 0.152 0.000 2.480 727 Y HA 0.211 4.757 4.550 -0.006 0.000 0.338 727 Y C 1.205 177.175 175.900 0.117 0.000 1.220 727 Y CA -0.369 57.789 58.100 0.097 0.000 1.430 727 Y CB 0.602 39.096 38.460 0.058 0.000 1.311 727 Y HN 0.618 nan 8.280 nan 0.000 0.575 728 T N -0.935 113.784 114.554 0.274 0.000 2.816 728 T HA 0.039 4.386 4.350 -0.006 0.000 0.282 728 T C 0.916 175.740 174.700 0.206 0.000 0.993 728 T CA -0.435 61.792 62.100 0.211 0.000 0.994 728 T CB 0.392 69.363 68.868 0.172 0.000 1.025 728 T HN 0.694 nan 8.240 nan 0.000 0.529 729 Y N 1.033 121.385 120.300 0.086 0.000 2.081 729 Y HA -0.221 4.325 4.550 -0.006 0.000 0.280 729 Y C 2.096 178.022 175.900 0.044 0.000 1.163 729 Y CA 2.379 60.515 58.100 0.061 0.000 1.135 729 Y CB -0.559 37.930 38.460 0.049 0.000 0.970 729 Y HN 0.694 nan 8.280 nan 0.000 0.498 730 D N 0.093 120.588 120.400 0.158 0.000 2.144 730 D HA -0.167 4.469 4.640 -0.006 0.000 0.199 730 D C 1.990 178.260 176.300 -0.051 0.000 0.984 730 D CA 1.708 55.740 54.000 0.053 0.000 0.834 730 D CB -0.247 40.632 40.800 0.131 0.000 0.955 730 D HN 0.603 nan 8.370 nan 0.000 0.465 731 E N 0.165 120.364 120.200 -0.001 0.000 2.051 731 E HA -0.098 4.249 4.350 -0.006 0.000 0.192 731 E C 2.375 178.870 176.600 -0.176 0.000 0.991 731 E CA 0.470 56.853 56.400 -0.027 0.000 0.799 731 E CB -0.058 29.722 29.700 0.133 0.000 0.748 731 E HN 0.253 nan 8.360 nan 0.000 0.449 732 L N 0.843 121.944 121.223 -0.203 0.000 2.083 732 L HA -0.181 4.156 4.340 -0.006 0.000 0.209 732 L C 2.395 179.099 176.870 -0.278 0.000 1.083 732 L CA 0.845 55.524 54.840 -0.269 0.000 0.752 732 L CB -0.344 41.598 42.059 -0.195 0.000 0.899 732 L HN 0.007 nan 8.230 nan 0.000 0.433 733 K N 0.343 120.531 120.400 -0.354 0.000 2.057 733 K HA -0.055 4.262 4.320 -0.006 0.000 0.206 733 K C 2.190 178.683 176.600 -0.179 0.000 1.050 733 K CA 1.445 57.548 56.287 -0.307 0.000 0.935 733 K CB -0.482 31.776 32.500 -0.404 0.000 0.715 733 K HN 0.255 nan 8.250 nan 0.000 0.439 734 A N 1.097 123.827 122.820 -0.150 0.000 2.019 734 A HA -0.043 4.274 4.320 -0.006 0.000 0.219 734 A C 2.076 179.596 177.584 -0.107 0.000 1.164 734 A CA 1.797 53.775 52.037 -0.098 0.000 0.644 734 A CB -0.329 18.631 19.000 -0.067 0.000 0.805 734 A HN 0.271 nan 8.150 nan 0.000 0.449 735 A N -1.093 121.636 122.820 -0.151 0.000 2.307 735 A HA 0.275 4.592 4.320 -0.006 0.000 0.218 735 A C 0.357 177.860 177.584 -0.134 0.000 1.228 735 A CA 0.552 52.496 52.037 -0.155 0.000 0.857 735 A CB -0.256 18.602 19.000 -0.238 0.000 0.897 735 A HN 0.425 nan 8.150 nan 0.000 0.495 736 D N -0.220 120.105 120.400 -0.125 0.000 2.708 736 D HA -0.144 4.493 4.640 -0.006 0.000 0.236 736 D C -0.159 176.077 176.300 -0.107 0.000 1.146 736 D CA 1.262 55.199 54.000 -0.105 0.000 0.662 736 D CB -0.873 39.882 40.800 -0.075 0.000 1.059 736 D HN 0.600 nan 8.370 nan 0.000 0.428 737 K N 0.740 121.058 120.400 -0.135 0.000 2.110 737 K HA 0.399 4.715 4.320 -0.006 0.000 0.263 737 K C -2.077 174.463 176.600 -0.100 0.000 0.975 737 K CA -1.400 54.816 56.287 -0.118 0.000 0.895 737 K CB 1.295 33.703 32.500 -0.152 0.000 1.060 737 K HN -0.092 nan 8.250 nan 0.000 0.448 738 P HA -0.022 nan 4.420 nan 0.000 0.269 738 P C -0.009 177.279 177.300 -0.021 0.000 1.209 738 P CA 0.020 63.093 63.100 -0.044 0.000 0.776 738 P CB 0.867 32.548 31.700 -0.032 0.000 0.876 739 T N -1.875 112.682 114.554 0.005 0.000 2.975 739 T HA 0.150 4.497 4.350 -0.006 0.000 0.261 739 T C 0.455 175.216 174.700 0.102 0.000 0.984 739 T CA -0.087 62.053 62.100 0.067 0.000 0.911 739 T CB 0.261 69.199 68.868 0.116 0.000 1.127 739 T HN 0.355 nan 8.240 nan 0.000 0.514 740 K N 1.815 122.249 120.400 0.056 0.000 2.425 740 K HA 0.533 4.850 4.320 -0.006 0.000 0.259 740 K C -1.433 175.173 176.600 0.010 0.000 0.978 740 K CA -0.874 55.445 56.287 0.052 0.000 0.883 740 K CB 0.692 33.180 32.500 -0.021 0.000 1.110 740 K HN 0.108 nan 8.250 nan 0.000 0.436 741 I N 3.823 124.442 120.570 0.081 0.000 2.465 741 I HA 0.167 4.333 4.170 -0.006 0.000 0.291 741 I C 0.534 176.739 176.117 0.146 0.000 1.014 741 I CA -0.666 60.680 61.300 0.077 0.000 1.093 741 I CB 1.461 39.516 38.000 0.090 0.000 1.267 741 I HN 0.658 nan 8.210 nan 0.000 0.431 742 T N 1.915 116.540 114.554 0.119 0.000 2.909 742 T HA 0.752 5.099 4.350 -0.006 0.000 0.289 742 T C 0.172 174.989 174.700 0.195 0.000 1.005 742 T CA -0.643 61.603 62.100 0.245 0.000 1.084 742 T CB 1.792 70.769 68.868 0.182 0.000 0.975 742 T HN 0.851 nan 8.240 nan 0.000 0.509 743 G N 1.564 110.496 108.800 0.220 0.000 2.591 743 G HA2 0.600 4.557 3.960 -0.006 0.000 0.306 743 G HA3 0.600 4.557 3.960 -0.006 0.000 0.306 743 G C -1.384 173.602 174.900 0.143 0.000 1.334 743 G CA -1.031 44.159 45.100 0.151 0.000 0.981 743 G HN 0.764 nan 8.290 nan 0.000 0.491 744 N N -0.319 118.456 118.700 0.125 0.000 2.240 744 N HA 0.662 5.398 4.740 -0.006 0.000 0.302 744 N C -1.777 173.838 175.510 0.174 0.000 1.106 744 N CA -0.480 52.639 53.050 0.114 0.000 0.778 744 N CB 2.591 41.118 38.487 0.067 0.000 1.431 744 N HN 0.660 nan 8.380 nan 0.000 0.479 745 W N 0.800 122.074 121.300 -0.044 0.000 3.138 745 W HA 0.563 5.219 4.660 -0.006 0.000 0.331 745 W C -1.367 175.114 176.519 -0.063 0.000 1.166 745 W CA -0.211 57.099 57.345 -0.058 0.000 1.212 745 W CB 1.825 31.239 29.460 -0.077 0.000 1.399 745 W HN 0.267 nan 8.180 nan 0.000 0.514 746 T N 3.622 117.655 114.554 -0.868 0.000 2.886 746 T HA 0.513 4.860 4.350 -0.006 0.000 0.292 746 T C -0.213 173.674 174.700 -1.356 0.000 1.012 746 T CA -0.538 61.096 62.100 -0.777 0.000 0.982 746 T CB 1.639 70.237 68.868 -0.451 0.000 1.018 746 T HN 0.536 nan 8.240 nan 0.000 0.451 747 A N 2.364 124.675 122.820 -0.849 0.000 3.048 747 A HA 0.324 4.640 4.320 -0.006 0.000 0.264 747 A C 1.694 179.053 177.584 -0.374 0.000 1.796 747 A CA -0.324 51.371 52.037 -0.571 0.000 1.445 747 A CB -0.923 17.993 19.000 -0.140 0.000 1.074 747 A HN 0.789 nan 8.150 nan 0.000 0.621 748 S N 0.969 116.411 115.700 -0.430 0.000 2.392 748 S HA -0.175 4.292 4.470 -0.006 0.000 0.232 748 S C 1.964 176.464 174.600 -0.167 0.000 1.041 748 S CA 1.786 59.827 58.200 -0.266 0.000 1.026 748 S CB -0.099 62.952 63.200 -0.250 0.000 0.845 748 S HN 0.893 nan 8.310 nan 0.000 0.465 749 G N 0.545 109.265 108.800 -0.133 0.000 2.848 749 G HA2 0.396 4.353 3.960 -0.006 0.000 0.208 749 G HA3 0.396 4.353 3.960 -0.006 0.000 0.208 749 G C 0.248 175.097 174.900 -0.085 0.000 1.152 749 G CA 0.385 45.437 45.100 -0.081 0.000 0.789 749 G HN 0.623 nan 8.290 nan 0.000 0.531 750 A N 0.353 123.099 122.820 -0.122 0.000 2.316 750 A HA 0.721 5.038 4.320 -0.006 0.000 0.284 750 A C 0.403 177.879 177.584 -0.180 0.000 1.115 750 A CA 0.167 52.110 52.037 -0.157 0.000 0.812 750 A CB 0.692 19.570 19.000 -0.203 0.000 1.064 750 A HN 0.516 nan 8.150 nan 0.000 0.489 751 T N -0.843 113.591 114.554 -0.200 0.000 2.903 751 T HA 0.545 4.892 4.350 -0.006 0.000 0.299 751 T C -0.487 174.069 174.700 -0.239 0.000 1.093 751 T CA -0.710 61.288 62.100 -0.170 0.000 1.002 751 T CB 0.842 69.662 68.868 -0.080 0.000 1.127 751 T HN 0.607 nan 8.240 nan 0.000 0.488 752 H N -0.003 118.987 119.070 -0.134 0.000 2.732 752 H HA 0.194 4.747 4.556 -0.006 0.000 0.351 752 H C 0.451 175.712 175.328 -0.112 0.000 1.090 752 H CA -0.180 55.781 56.048 -0.146 0.000 1.431 752 H CB 0.597 30.267 29.762 -0.154 0.000 1.447 752 H HN 0.730 nan 8.280 nan 0.000 0.582 753 C N 3.076 122.385 119.300 0.014 0.000 2.634 753 C HA -0.070 4.387 4.460 -0.006 0.000 0.418 753 C C 1.257 176.271 174.990 0.040 0.000 1.373 753 C CA -0.322 58.712 59.018 0.027 0.000 1.756 753 C CB -0.867 26.910 27.740 0.061 0.000 2.589 753 C HN 0.739 nan 8.230 nan 0.000 0.602 754 D N 1.475 121.896 120.400 0.035 0.000 2.414 754 D HA 0.311 4.948 4.640 -0.006 0.000 0.242 754 D C 0.893 177.226 176.300 0.054 0.000 1.129 754 D CA 0.354 54.371 54.000 0.028 0.000 0.885 754 D CB 0.863 41.677 40.800 0.023 0.000 1.198 754 D HN 0.642 nan 8.370 nan 0.000 0.437 755 A N 2.703 125.549 122.820 0.042 0.000 2.067 755 A HA -0.035 4.282 4.320 -0.006 0.000 0.219 755 A C 1.816 179.430 177.584 0.051 0.000 1.158 755 A CA 0.924 53.010 52.037 0.082 0.000 0.661 755 A CB -0.073 18.974 19.000 0.079 0.000 0.801 755 A HN 0.476 nan 8.150 nan 0.000 0.452 756 V N -0.779 119.153 119.914 0.030 0.000 2.672 756 V HA -0.065 4.052 4.120 -0.006 0.000 0.242 756 V C 2.616 178.722 176.094 0.019 0.000 1.059 756 V CA 2.009 64.316 62.300 0.012 0.000 1.081 756 V CB -0.310 31.517 31.823 0.007 0.000 0.752 756 V HN 0.742 nan 8.190 nan 0.000 0.472 757 T N -3.249 111.325 114.554 0.033 0.000 3.015 757 T HA 0.311 4.658 4.350 -0.006 0.000 0.250 757 T C 1.665 176.404 174.700 0.066 0.000 1.057 757 T CA 1.106 63.231 62.100 0.042 0.000 1.066 757 T CB 0.823 69.712 68.868 0.035 0.000 0.959 757 T HN 0.921 nan 8.240 nan 0.000 0.488 758 G N 1.579 110.426 108.800 0.078 0.000 2.179 758 G HA2 -0.219 3.738 3.960 -0.006 0.000 0.260 758 G HA3 -0.219 3.738 3.960 -0.006 0.000 0.260 758 G C -0.005 174.940 174.900 0.074 0.000 0.977 758 G CA 0.334 45.498 45.100 0.107 0.000 0.641 758 G HN 0.657 nan 8.290 nan 0.000 0.533 759 L N 0.276 121.529 121.223 0.050 0.000 2.417 759 L HA 0.650 4.986 4.340 -0.006 0.000 0.268 759 L C 1.094 177.971 176.870 0.010 0.000 1.158 759 L CA 0.440 55.297 54.840 0.028 0.000 0.819 759 L CB 1.173 43.247 42.059 0.025 0.000 1.112 759 L HN 0.641 nan 8.230 nan 0.000 0.458 760 G N 1.534 110.330 108.800 -0.008 0.000 2.327 760 G HA2 0.198 4.155 3.960 -0.006 0.000 0.291 760 G HA3 0.198 4.155 3.960 -0.006 0.000 0.291 760 G C -1.525 173.347 174.900 -0.046 0.000 1.290 760 G CA -0.802 44.280 45.100 -0.031 0.000 0.857 760 G HN 0.453 nan 8.290 nan 0.000 0.520 761 K N 1.621 121.974 120.400 -0.079 0.000 2.877 761 K HA 0.297 4.613 4.320 -0.006 0.000 0.176 761 K C -1.861 174.633 176.600 -0.177 0.000 1.075 761 K CA -1.562 54.686 56.287 -0.066 0.000 0.939 761 K CB 2.617 35.092 32.500 -0.042 0.000 1.237 761 K HN 0.212 nan 8.250 nan 0.000 0.607 762 P HA -0.114 nan 4.420 nan 0.000 0.221 762 P C -0.279 176.387 177.300 -1.055 0.000 1.150 762 P CA 0.983 63.640 63.100 -0.738 0.000 0.800 762 P CB 0.158 31.302 31.700 -0.926 0.000 0.787 763 F N -1.272 118.581 119.950 -0.162 0.000 2.576 763 F HA 0.233 4.757 4.527 -0.006 0.000 0.313 763 F C 1.298 176.970 175.800 -0.214 0.000 1.078 763 F CA -1.089 56.720 58.000 -0.318 0.000 0.921 763 F CB 1.399 39.964 39.000 -0.725 0.000 1.232 763 F HN -0.403 nan 8.300 nan 0.000 0.459 764 V N -1.018 118.918 119.914 0.037 0.000 3.590 764 V HA 0.358 4.474 4.120 -0.006 0.000 0.265 764 V C -0.143 176.011 176.094 0.098 0.000 1.239 764 V CA 0.128 62.478 62.300 0.084 0.000 1.117 764 V CB -0.027 31.853 31.823 0.095 0.000 0.818 764 V HN 0.397 nan 8.190 nan 0.000 0.451 765 V N 0.519 120.427 119.914 -0.010 0.000 2.638 765 V HA 0.600 4.717 4.120 -0.006 0.000 0.306 765 V C -1.134 174.822 176.094 -0.231 0.000 1.052 765 V CA -0.723 61.574 62.300 -0.004 0.000 0.885 765 V CB 1.844 33.660 31.823 -0.011 0.000 0.999 765 V HN 0.371 nan 8.190 nan 0.000 0.424 766 Y N 3.028 123.292 120.300 -0.059 0.000 2.598 766 Y HA 0.723 5.269 4.550 -0.006 0.000 0.340 766 Y C 0.214 175.881 175.900 -0.388 0.000 1.038 766 Y CA -1.043 56.883 58.100 -0.290 0.000 1.100 766 Y CB 2.088 40.279 38.460 -0.448 0.000 1.281 766 Y HN 0.447 nan 8.280 nan 0.000 0.488 767 M N 1.733 121.149 119.600 -0.305 0.000 2.336 767 M HA 0.463 4.940 4.480 -0.006 0.000 0.342 767 M C -1.815 174.214 176.300 -0.451 0.000 1.128 767 M CA -0.550 54.606 55.300 -0.239 0.000 1.016 767 M CB 1.436 33.971 32.600 -0.108 0.000 1.665 767 M HN 0.488 nan 8.290 nan 0.000 0.445 768 Y N 0.150 120.470 120.300 0.033 0.000 2.462 768 Y HA 0.847 5.393 4.550 -0.006 0.000 0.346 768 Y C 0.353 176.215 175.900 -0.063 0.000 0.976 768 Y CA -0.846 57.250 58.100 -0.006 0.000 1.044 768 Y CB 2.510 40.954 38.460 -0.028 0.000 1.230 768 Y HN 0.788 nan 8.280 nan 0.000 0.455 769 G N 0.358 109.182 108.800 0.040 0.000 2.677 769 G HA2 0.611 4.567 3.960 -0.006 0.000 0.291 769 G HA3 0.611 4.567 3.960 -0.006 0.000 0.291 769 G C -2.327 172.481 174.900 -0.154 0.000 1.435 769 G CA -0.861 44.156 45.100 -0.138 0.000 0.826 769 G HN 0.441 nan 8.290 nan 0.000 0.491 770 V N 0.534 120.299 119.914 -0.248 0.000 2.525 770 V HA 0.551 4.668 4.120 -0.006 0.000 0.299 770 V C -1.052 174.908 176.094 -0.224 0.000 1.034 770 V CA -0.673 61.546 62.300 -0.134 0.000 0.863 770 V CB 1.154 32.939 31.823 -0.063 0.000 0.999 770 V HN 0.593 nan 8.190 nan 0.000 0.423 771 F N 4.014 123.936 119.950 -0.048 0.000 2.425 771 F HA 0.726 5.249 4.527 -0.005 0.000 0.331 771 F C 0.216 175.995 175.800 -0.034 0.000 1.085 771 F CA -0.568 57.407 58.000 -0.041 0.000 1.028 771 F CB 1.834 40.803 39.000 -0.051 0.000 1.177 771 F HN 0.388 nan 8.300 nan 0.000 0.487 772 M N 2.969 122.670 119.600 0.169 0.000 2.204 772 M HA 0.735 5.211 4.480 -0.006 0.000 0.293 772 M C -1.611 174.765 176.300 0.127 0.000 0.994 772 M CA -0.469 54.909 55.300 0.130 0.000 0.925 772 M CB 1.448 34.117 32.600 0.116 0.000 1.577 772 M HN 0.694 nan 8.290 nan 0.000 0.439 773 A N 4.404 127.288 122.820 0.107 0.000 2.317 773 A HA 0.700 5.017 4.320 -0.006 0.000 0.327 773 A C -1.109 176.518 177.584 0.072 0.000 1.178 773 A CA -0.528 51.556 52.037 0.079 0.000 0.817 773 A CB 0.886 19.916 19.000 0.051 0.000 1.189 773 A HN 0.861 nan 8.150 nan 0.000 0.489 774 E N 0.873 121.108 120.200 0.057 0.000 2.165 774 E HA 0.501 4.848 4.350 -0.006 0.000 0.266 774 E C -0.745 175.877 176.600 0.037 0.000 0.889 774 E CA -0.660 55.767 56.400 0.046 0.000 0.756 774 E CB 2.109 31.833 29.700 0.039 0.000 1.131 774 E HN 0.659 nan 8.360 nan 0.000 0.411 775 V N -0.115 119.819 119.914 0.034 0.000 3.102 775 V HA 0.742 4.859 4.120 -0.006 0.000 0.312 775 V C -0.616 175.500 176.094 0.036 0.000 1.135 775 V CA -0.555 61.764 62.300 0.033 0.000 1.022 775 V CB 2.297 34.137 31.823 0.028 0.000 1.056 775 V HN 0.539 nan 8.190 nan 0.000 0.436 776 T N 2.079 116.659 114.554 0.044 0.000 2.841 776 T HA 0.658 5.005 4.350 -0.006 0.000 0.285 776 T C -0.703 174.028 174.700 0.051 0.000 0.991 776 T CA -0.387 61.750 62.100 0.062 0.000 0.966 776 T CB 1.480 70.406 68.868 0.095 0.000 0.962 776 T HN 0.787 nan 8.240 nan 0.000 0.438 777 V N 3.293 123.223 119.914 0.026 0.000 2.347 777 V HA 0.301 4.417 4.120 -0.006 0.000 0.280 777 V C 0.078 176.116 176.094 -0.093 0.000 1.021 777 V CA -0.916 61.376 62.300 -0.013 0.000 0.847 777 V CB 1.527 33.342 31.823 -0.012 0.000 0.990 777 V HN 0.840 nan 8.190 nan 0.000 0.444 778 D N 4.118 124.425 120.400 -0.155 0.000 2.344 778 D HA 0.062 4.699 4.640 -0.006 0.000 0.253 778 D C 1.077 177.252 176.300 -0.208 0.000 1.255 778 D CA -0.126 53.648 54.000 -0.378 0.000 0.894 778 D CB 1.828 42.450 40.800 -0.296 0.000 1.067 778 D HN 0.439 nan 8.370 nan 0.000 0.492 779 V N 2.551 122.347 119.914 -0.196 0.000 3.380 779 V HA 0.072 4.189 4.120 -0.006 0.000 0.268 779 V C 1.851 177.902 176.094 -0.073 0.000 1.168 779 V CA 1.125 63.367 62.300 -0.096 0.000 1.156 779 V CB -0.563 31.222 31.823 -0.064 0.000 0.785 779 V HN 0.478 nan 8.190 nan 0.000 0.487 780 A N 1.758 124.522 122.820 -0.094 0.000 1.975 780 A HA 0.008 4.324 4.320 -0.006 0.000 0.215 780 A C 2.355 179.918 177.584 -0.035 0.000 1.170 780 A CA 1.865 53.872 52.037 -0.051 0.000 0.656 780 A CB -0.552 18.422 19.000 -0.042 0.000 0.821 780 A HN 0.728 nan 8.150 nan 0.000 0.449 781 T N -6.034 108.493 114.554 -0.044 0.000 2.969 781 T HA 0.417 4.764 4.350 -0.006 0.000 0.250 781 T C 1.459 176.155 174.700 -0.006 0.000 1.021 781 T CA 1.143 63.232 62.100 -0.018 0.000 1.003 781 T CB 0.318 69.180 68.868 -0.010 0.000 1.040 781 T HN 1.624 nan 8.240 nan 0.000 0.492 782 G N 1.622 110.411 108.800 -0.018 0.000 2.184 782 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.264 782 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.264 782 G C -0.117 174.790 174.900 0.012 0.000 0.975 782 G CA 0.146 45.247 45.100 0.001 0.000 0.642 782 G HN 0.698 nan 8.290 nan 0.000 0.536 783 Q N 0.939 120.742 119.800 0.006 0.000 2.304 783 Q HA 0.462 4.799 4.340 -0.006 0.000 0.260 783 Q C -0.202 175.809 176.000 0.018 0.000 0.965 783 Q CA 0.387 56.204 55.803 0.023 0.000 0.898 783 Q CB 0.875 29.631 28.738 0.030 0.000 1.196 783 Q HN 0.246 nan 8.270 nan 0.000 0.402 784 T N 2.324 116.895 114.554 0.027 0.000 2.795 784 T HA 0.322 4.669 4.350 -0.006 0.000 0.282 784 T C -0.230 174.490 174.700 0.034 0.000 0.980 784 T CA -0.469 61.646 62.100 0.026 0.000 1.012 784 T CB 1.192 70.070 68.868 0.018 0.000 0.936 784 T HN 0.379 nan 8.240 nan 0.000 0.457 785 T N 2.879 117.457 114.554 0.041 0.000 2.779 785 T HA 0.407 4.753 4.350 -0.006 0.000 0.280 785 T C 0.079 174.800 174.700 0.034 0.000 0.987 785 T CA -0.530 61.595 62.100 0.041 0.000 0.966 785 T CB 1.006 69.906 68.868 0.053 0.000 0.933 785 T HN 0.332 nan 8.240 nan 0.000 0.442 786 V N 4.267 124.198 119.914 0.028 0.000 2.408 786 V HA 0.151 4.268 4.120 -0.006 0.000 0.267 786 V C 0.695 176.805 176.094 0.027 0.000 1.047 786 V CA -0.156 62.160 62.300 0.026 0.000 0.937 786 V CB 0.824 32.660 31.823 0.021 0.000 0.999 786 V HN 0.891 nan 8.190 nan 0.000 0.472 787 D N 3.629 124.045 120.400 0.028 0.000 2.346 787 D HA 0.213 4.850 4.640 -0.006 0.000 0.206 787 D C 0.864 177.176 176.300 0.021 0.000 1.001 787 D CA 0.866 54.880 54.000 0.023 0.000 0.871 787 D CB 1.243 42.057 40.800 0.023 0.000 0.943 787 D HN 0.706 nan 8.370 nan 0.000 0.518 788 G N 0.310 109.127 108.800 0.028 0.000 2.691 788 G HA2 0.466 4.423 3.960 -0.006 0.000 0.298 788 G HA3 0.466 4.423 3.960 -0.006 0.000 0.298 788 G C -1.279 173.649 174.900 0.046 0.000 1.471 788 G CA -0.643 44.474 45.100 0.030 0.000 0.912 788 G HN -0.199 nan 8.290 nan 0.000 0.553 789 M N 1.260 120.892 119.600 0.054 0.000 2.395 789 M HA 0.567 5.043 4.480 -0.006 0.000 0.307 789 M C -0.648 175.698 176.300 0.077 0.000 1.091 789 M CA -0.572 54.777 55.300 0.082 0.000 0.919 789 M CB 1.889 34.552 32.600 0.104 0.000 1.662 789 M HN 0.449 nan 8.290 nan 0.000 0.440 790 T N 3.370 117.971 114.554 0.078 0.000 2.824 790 T HA 0.699 5.046 4.350 -0.006 0.000 0.282 790 T C -1.186 173.504 174.700 -0.018 0.000 0.993 790 T CA -0.537 61.581 62.100 0.031 0.000 0.967 790 T CB 1.957 70.840 68.868 0.024 0.000 0.960 790 T HN 0.536 nan 8.240 nan 0.000 0.441 791 L N 4.410 125.566 121.223 -0.113 0.000 2.343 791 L HA 0.594 4.931 4.340 -0.006 0.000 0.278 791 L C -0.782 175.922 176.870 -0.275 0.000 0.996 791 L CA -0.712 53.949 54.840 -0.298 0.000 0.831 791 L CB 1.231 43.052 42.059 -0.397 0.000 1.232 791 L HN 0.532 nan 8.230 nan 0.000 0.413 792 M N 4.783 124.232 119.600 -0.252 0.000 2.146 792 M HA 0.551 5.027 4.480 -0.006 0.000 0.352 792 M C -0.007 176.172 176.300 -0.201 0.000 1.343 792 M CA -0.129 55.061 55.300 -0.182 0.000 1.115 792 M CB 0.474 33.009 32.600 -0.109 0.000 1.657 792 M HN 0.724 nan 8.290 nan 0.000 0.471 793 A N 2.850 125.583 122.820 -0.145 0.000 2.343 793 A HA 0.556 4.873 4.320 -0.006 0.000 0.308 793 A C -0.967 176.673 177.584 0.093 0.000 1.092 793 A CA -0.707 51.292 52.037 -0.063 0.000 0.751 793 A CB 1.042 19.993 19.000 -0.082 0.000 1.203 793 A HN 0.680 nan 8.150 nan 0.000 0.452 794 D N 2.968 123.431 120.400 0.105 0.000 2.454 794 D HA 0.434 5.071 4.640 -0.006 0.000 0.225 794 D C 0.107 176.503 176.300 0.160 0.000 1.081 794 D CA -0.176 53.921 54.000 0.161 0.000 0.864 794 D CB 0.511 41.396 40.800 0.141 0.000 1.040 794 D HN 0.374 nan 8.370 nan 0.000 0.517 795 L N 2.802 124.115 121.223 0.150 0.000 2.728 795 L HA 0.352 4.688 4.340 -0.006 0.000 0.238 795 L C 1.825 178.747 176.870 0.088 0.000 1.143 795 L CA 0.065 54.960 54.840 0.090 0.000 0.937 795 L CB 0.092 42.175 42.059 0.040 0.000 1.225 795 L HN 0.680 nan 8.230 nan 0.000 0.507 796 G N 0.583 109.462 108.800 0.131 0.000 3.444 796 G HA2 -0.342 3.615 3.960 -0.006 0.000 0.222 796 G HA3 -0.342 3.615 3.960 -0.006 0.000 0.222 796 G C 0.347 175.331 174.900 0.139 0.000 1.358 796 G CA 0.347 45.533 45.100 0.144 0.000 0.880 796 G HN 0.414 nan 8.290 nan 0.000 0.555 797 S N -0.827 114.954 115.700 0.135 0.000 2.560 797 S HA 0.565 5.032 4.470 -0.006 0.000 0.283 797 S C -0.875 173.742 174.600 0.029 0.000 1.141 797 S CA -0.539 57.766 58.200 0.176 0.000 0.902 797 S CB 0.768 64.221 63.200 0.421 0.000 1.104 797 S HN 0.934 nan 8.310 nan 0.000 0.454 798 L N 4.324 125.428 121.223 -0.199 0.000 2.281 798 L HA 0.372 4.709 4.340 -0.006 0.000 0.285 798 L C 1.701 177.968 176.870 -1.006 0.000 1.074 798 L CA -0.683 53.868 54.840 -0.482 0.000 0.817 798 L CB 0.843 42.588 42.059 -0.523 0.000 1.168 798 L HN 0.943 nan 8.230 nan 0.000 0.434 799 C N 3.363 121.977 119.300 -1.144 0.000 2.453 799 C HA -0.034 4.423 4.460 -0.006 0.000 0.277 799 C C 1.075 175.514 174.990 -0.919 0.000 1.262 799 C CA 0.606 58.608 59.018 -1.693 0.000 1.718 799 C CB -0.504 26.696 27.740 -0.901 0.000 2.031 799 C HN 0.917 nan 8.230 nan 0.000 0.480 800 N N -0.522 117.845 118.700 -0.554 0.000 2.478 800 N HA 0.128 4.865 4.740 -0.006 0.000 0.291 800 N C -0.023 175.312 175.510 -0.291 0.000 1.090 800 N CA -0.207 52.625 53.050 -0.364 0.000 0.911 800 N CB 1.297 39.621 38.487 -0.271 0.000 1.546 800 N HN 0.558 nan 8.380 nan 0.000 0.500 801 Q N 3.316 122.971 119.800 -0.242 0.000 2.172 801 Q HA 0.055 4.392 4.340 -0.006 0.000 0.200 801 Q C 1.370 177.298 176.000 -0.120 0.000 0.964 801 Q CA 0.917 56.608 55.803 -0.186 0.000 0.855 801 Q CB 0.339 29.001 28.738 -0.126 0.000 0.918 801 Q HN 0.721 nan 8.270 nan 0.000 0.444 802 L N 0.063 121.214 121.223 -0.120 0.000 2.046 802 L HA -0.185 4.152 4.340 -0.006 0.000 0.208 802 L C 2.528 179.332 176.870 -0.110 0.000 1.077 802 L CA 1.082 55.863 54.840 -0.099 0.000 0.747 802 L CB -0.611 41.377 42.059 -0.118 0.000 0.896 802 L HN 0.280 nan 8.230 nan 0.000 0.432 803 A N 0.292 123.028 122.820 -0.140 0.000 1.855 803 A HA -0.217 4.100 4.320 -0.006 0.000 0.215 803 A C 2.447 179.960 177.584 -0.118 0.000 1.191 803 A CA 2.345 54.302 52.037 -0.134 0.000 0.613 803 A CB -0.991 17.913 19.000 -0.161 0.000 0.829 803 A HN 0.514 nan 8.150 nan 0.000 0.442 804 T N -2.324 112.152 114.554 -0.130 0.000 2.857 804 T HA -0.130 4.217 4.350 -0.006 0.000 0.266 804 T C 1.392 176.042 174.700 -0.084 0.000 1.048 804 T CA 1.482 63.529 62.100 -0.088 0.000 1.139 804 T CB -0.513 68.291 68.868 -0.107 0.000 0.874 804 T HN 0.323 nan 8.240 nan 0.000 0.455 805 D N 1.889 122.220 120.400 -0.116 0.000 2.104 805 D HA -0.016 4.621 4.640 -0.006 0.000 0.194 805 D C 2.424 178.395 176.300 -0.549 0.000 0.994 805 D CA 1.572 55.346 54.000 -0.377 0.000 0.830 805 D CB -0.986 39.646 40.800 -0.280 0.000 0.959 805 D HN 0.580 nan 8.370 nan 0.000 0.452 806 G N 0.424 109.088 108.800 -0.227 0.000 2.408 806 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.217 806 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.217 806 G C 1.569 176.431 174.900 -0.063 0.000 1.150 806 G CA 0.357 45.408 45.100 -0.082 0.000 0.776 806 G HN 0.147 nan 8.290 nan 0.000 0.542 807 Q N 0.259 120.011 119.800 -0.080 0.000 2.061 807 Q HA -0.056 4.280 4.340 -0.006 0.000 0.204 807 Q C 2.708 178.685 176.000 -0.038 0.000 0.984 807 Q CA 1.020 56.800 55.803 -0.037 0.000 0.846 807 Q CB -0.340 28.373 28.738 -0.042 0.000 0.902 807 Q HN 0.569 nan 8.270 nan 0.000 0.421 808 I N -0.223 120.277 120.570 -0.117 0.000 2.202 808 I HA -0.290 3.876 4.170 -0.006 0.000 0.242 808 I C 2.103 178.223 176.117 0.005 0.000 1.091 808 I CA 1.054 62.294 61.300 -0.101 0.000 1.368 808 I CB -0.408 37.469 38.000 -0.205 0.000 1.058 808 I HN 0.118 nan 8.210 nan 0.000 0.410 809 Y N 1.029 121.324 120.300 -0.008 0.000 2.165 809 Y HA -0.178 4.368 4.550 -0.006 0.000 0.286 809 Y C 2.636 178.522 175.900 -0.023 0.000 1.155 809 Y CA 0.983 59.076 58.100 -0.012 0.000 1.164 809 Y CB -1.729 36.718 38.460 -0.022 0.000 0.978 809 Y HN 0.131 nan 8.280 nan 0.000 0.513 810 G N -0.474 108.402 108.800 0.126 0.000 2.421 810 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.216 810 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.216 810 G C 2.098 177.003 174.900 0.008 0.000 1.171 810 G CA 1.003 46.125 45.100 0.038 0.000 0.775 810 G HN 0.540 nan 8.290 nan 0.000 0.543 811 G N 0.731 109.555 108.800 0.040 0.000 2.408 811 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.217 811 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.217 811 G C 1.816 176.734 174.900 0.030 0.000 1.150 811 G CA 0.680 45.797 45.100 0.028 0.000 0.776 811 G HN 0.420 nan 8.290 nan 0.000 0.542 812 L N 0.659 121.933 121.223 0.085 0.000 2.046 812 L HA -0.094 4.242 4.340 -0.006 0.000 0.208 812 L C 3.423 180.307 176.870 0.023 0.000 1.077 812 L CA 1.101 56.002 54.840 0.100 0.000 0.747 812 L CB -0.462 41.691 42.059 0.157 0.000 0.896 812 L HN 0.309 nan 8.230 nan 0.000 0.432 813 A N -0.477 122.346 122.820 0.004 0.000 1.902 813 A HA -0.258 4.059 4.320 -0.006 0.000 0.217 813 A C 2.212 179.715 177.584 -0.135 0.000 1.181 813 A CA 1.607 53.615 52.037 -0.048 0.000 0.623 813 A CB -0.493 18.476 19.000 -0.052 0.000 0.818 813 A HN 0.483 nan 8.150 nan 0.000 0.443 814 Q N -0.867 118.834 119.800 -0.165 0.000 2.170 814 Q HA -0.100 4.236 4.340 -0.006 0.000 0.203 814 Q C 2.155 178.011 176.000 -0.240 0.000 0.976 814 Q CA 1.045 56.714 55.803 -0.223 0.000 0.858 814 Q CB -0.389 28.234 28.738 -0.192 0.000 0.907 814 Q HN 0.708 nan 8.270 nan 0.000 0.433 815 G N 0.924 109.620 108.800 -0.173 0.000 2.408 815 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.217 815 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.217 815 G C 1.388 176.204 174.900 -0.141 0.000 1.150 815 G CA 0.501 45.504 45.100 -0.161 0.000 0.776 815 G HN 0.226 nan 8.290 nan 0.000 0.542 816 I N 1.270 121.776 120.570 -0.106 0.000 2.226 816 I HA -0.094 4.073 4.170 -0.006 0.000 0.245 816 I C 3.075 179.114 176.117 -0.130 0.000 1.100 816 I CA 1.057 62.305 61.300 -0.088 0.000 1.374 816 I CB -0.446 37.526 38.000 -0.047 0.000 1.057 816 I HN 0.238 nan 8.210 nan 0.000 0.413 817 G N 1.002 109.696 108.800 -0.177 0.000 2.421 817 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.216 817 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.216 817 G C 1.635 176.386 174.900 -0.249 0.000 1.171 817 G CA 0.587 45.566 45.100 -0.203 0.000 0.775 817 G HN 0.237 nan 8.290 nan 0.000 0.543 818 L N 1.453 122.477 121.223 -0.331 0.000 2.042 818 L HA 0.071 4.408 4.340 -0.006 0.000 0.210 818 L C 3.048 179.686 176.870 -0.386 0.000 1.076 818 L CA 2.154 56.726 54.840 -0.447 0.000 0.749 818 L CB -0.723 40.932 42.059 -0.674 0.000 0.893 818 L HN 0.253 nan 8.230 nan 0.000 0.432 819 A N -1.203 121.458 122.820 -0.265 0.000 1.898 819 A HA -0.079 4.237 4.320 -0.006 0.000 0.216 819 A C 2.142 179.612 177.584 -0.190 0.000 1.181 819 A CA 2.010 53.937 52.037 -0.183 0.000 0.620 819 A CB -0.433 18.522 19.000 -0.075 0.000 0.819 819 A HN 0.490 nan 8.150 nan 0.000 0.442 820 L N -1.731 119.388 121.223 -0.172 0.000 2.609 820 L HA 0.110 4.446 4.340 -0.006 0.000 0.230 820 L C 2.004 178.783 176.870 -0.152 0.000 1.064 820 L CA 1.063 55.824 54.840 -0.132 0.000 0.873 820 L CB 0.349 42.373 42.059 -0.057 0.000 1.139 820 L HN 0.525 nan 8.230 nan 0.000 0.490 821 S N -2.872 112.735 115.700 -0.155 0.000 2.612 821 S HA 0.197 4.664 4.470 -0.006 0.000 0.278 821 S C 0.380 174.953 174.600 -0.045 0.000 1.082 821 S CA -0.536 57.639 58.200 -0.041 0.000 1.185 821 S CB 0.538 63.763 63.200 0.042 0.000 1.077 821 S HN 0.138 nan 8.310 nan 0.000 0.585 822 E N 1.390 121.500 120.200 -0.151 0.000 2.266 822 E HA 0.657 5.004 4.350 -0.006 0.000 0.277 822 E C -1.370 175.131 176.600 -0.164 0.000 1.018 822 E CA -0.415 55.908 56.400 -0.128 0.000 0.840 822 E CB 1.022 30.631 29.700 -0.153 0.000 1.082 822 E HN 0.236 nan 8.360 nan 0.000 0.395 823 D N 1.079 121.392 120.400 -0.145 0.000 2.694 823 D HA 0.207 4.844 4.640 -0.006 0.000 0.260 823 D C -1.980 174.295 176.300 -0.042 0.000 1.250 823 D CA -0.596 53.338 54.000 -0.109 0.000 0.763 823 D CB 0.997 41.760 40.800 -0.062 0.000 1.311 823 D HN 0.286 nan 8.370 nan 0.000 0.420 824 F N 2.207 122.154 119.950 -0.005 0.000 2.552 824 F HA 0.379 4.902 4.527 -0.006 0.000 0.369 824 F C 0.510 176.448 175.800 0.232 0.000 1.112 824 F CA -0.302 57.801 58.000 0.173 0.000 1.129 824 F CB 1.202 40.283 39.000 0.136 0.000 1.360 824 F HN 0.299 nan 8.300 nan 0.000 0.473 825 E N 1.405 121.712 120.200 0.179 0.000 2.354 825 E HA 0.130 4.477 4.350 -0.006 0.000 0.203 825 E C -0.644 175.940 176.600 -0.026 0.000 0.841 825 E CA 0.483 56.947 56.400 0.106 0.000 1.046 825 E CB 0.358 30.192 29.700 0.222 0.000 1.040 825 E HN 0.351 nan 8.360 nan 0.000 0.504 826 D N 0.922 121.100 120.400 -0.370 0.000 2.373 826 D HA 0.210 4.847 4.640 -0.006 0.000 0.227 826 D C 1.052 176.980 176.300 -0.619 0.000 1.091 826 D CA -0.170 53.516 54.000 -0.523 0.000 0.840 826 D CB 1.271 41.618 40.800 -0.754 0.000 1.060 826 D HN 0.154 nan 8.370 nan 0.000 0.502 827 I N 1.463 121.759 120.570 -0.456 0.000 2.248 827 I HA -0.308 3.858 4.170 -0.006 0.000 0.248 827 I C 2.233 178.228 176.117 -0.204 0.000 1.107 827 I CA 1.214 62.286 61.300 -0.381 0.000 1.373 827 I CB 0.056 37.788 38.000 -0.447 0.000 1.055 827 I HN 0.163 nan 8.210 nan 0.000 0.418 828 K N 0.766 121.036 120.400 -0.217 0.000 2.078 828 K HA -0.007 4.310 4.320 -0.006 0.000 0.203 828 K C 2.055 178.627 176.600 -0.045 0.000 1.043 828 K CA 0.871 57.107 56.287 -0.085 0.000 0.960 828 K CB -0.255 32.190 32.500 -0.091 0.000 0.761 828 K HN 0.271 nan 8.250 nan 0.000 0.448 829 K N 0.466 120.768 120.400 -0.163 0.000 2.147 829 K HA -0.106 4.211 4.320 -0.006 0.000 0.205 829 K C 1.434 178.062 176.600 0.046 0.000 1.049 829 K CA 1.167 57.381 56.287 -0.122 0.000 0.936 829 K CB -0.130 32.206 32.500 -0.275 0.000 0.722 829 K HN 0.392 nan 8.250 nan 0.000 0.446 830 H N -1.036 118.026 119.070 -0.013 0.000 2.519 830 H HA 0.235 4.788 4.556 -0.005 0.000 0.289 830 H C 0.931 176.488 175.328 0.383 0.000 1.040 830 H CA -0.373 55.742 56.048 0.112 0.000 1.165 830 H CB 0.604 30.329 29.762 -0.061 0.000 1.462 830 H HN 0.154 nan 8.280 nan 0.000 0.555 831 A N 0.954 124.035 122.820 0.435 0.000 2.307 831 A HA 0.056 4.373 4.320 -0.006 0.000 0.218 831 A C 1.147 178.963 177.584 0.387 0.000 1.228 831 A CA 0.119 52.438 52.037 0.470 0.000 0.857 831 A CB -0.263 18.957 19.000 0.367 0.000 0.897 831 A HN 0.319 nan 8.150 nan 0.000 0.495 832 T N -4.439 110.323 114.554 0.346 0.000 2.924 832 T HA 0.591 4.937 4.350 -0.006 0.000 0.291 832 T C 1.004 175.870 174.700 0.277 0.000 1.045 832 T CA -0.698 61.576 62.100 0.289 0.000 1.015 832 T CB 1.001 69.980 68.868 0.185 0.000 1.103 832 T HN -0.028 nan 8.240 nan 0.000 0.496 833 L N 1.420 122.725 121.223 0.136 0.000 1.989 833 L HA -0.122 4.214 4.340 -0.006 0.000 0.211 833 L C 3.063 180.108 176.870 0.291 0.000 1.071 833 L CA 1.975 56.892 54.840 0.128 0.000 0.749 833 L CB -0.888 41.066 42.059 -0.174 0.000 0.890 833 L HN 0.798 nan 8.230 nan 0.000 0.431 834 V N -2.497 117.579 119.914 0.271 0.000 2.427 834 V HA -0.063 4.053 4.120 -0.006 0.000 0.248 834 V C 2.337 178.573 176.094 0.236 0.000 1.051 834 V CA 1.768 64.243 62.300 0.290 0.000 1.048 834 V CB -1.645 30.268 31.823 0.150 0.000 0.666 834 V HN 0.406 nan 8.190 nan 0.000 0.456 835 G N 0.107 109.038 108.800 0.218 0.000 2.422 835 G HA2 -0.075 3.882 3.960 -0.006 0.000 0.218 835 G HA3 -0.075 3.882 3.960 -0.006 0.000 0.218 835 G C 1.519 176.592 174.900 0.287 0.000 1.146 835 G CA 0.944 46.186 45.100 0.237 0.000 0.769 835 G HN 1.002 nan 8.290 nan 0.000 0.547 836 A N -0.473 122.506 122.820 0.266 0.000 2.275 836 A HA 0.500 4.817 4.320 -0.006 0.000 0.212 836 A C 1.799 179.456 177.584 0.123 0.000 1.201 836 A CA 1.142 53.272 52.037 0.155 0.000 0.843 836 A CB -0.361 18.804 19.000 0.274 0.000 0.873 836 A HN 1.599 nan 8.150 nan 0.000 0.492 837 G N -1.173 107.745 108.800 0.195 0.000 2.149 837 G HA2 -0.260 3.697 3.960 -0.006 0.000 0.235 837 G HA3 -0.260 3.697 3.960 -0.006 0.000 0.235 837 G C 0.008 175.012 174.900 0.173 0.000 1.018 837 G CA -0.046 45.161 45.100 0.179 0.000 0.728 837 G HN 0.695 nan 8.290 nan 0.000 0.508 838 F N 1.761 121.768 119.950 0.095 0.000 2.612 838 F HA 0.412 4.936 4.527 -0.006 0.000 0.389 838 F C -1.467 174.298 175.800 -0.058 0.000 1.055 838 F CA -1.038 56.943 58.000 -0.032 0.000 1.232 838 F CB 0.735 39.645 39.000 -0.149 0.000 1.044 838 F HN 0.040 nan 8.300 nan 0.000 0.560 839 P HA 0.109 nan 4.420 nan 0.000 0.279 839 P C -0.869 176.384 177.300 -0.077 0.000 1.318 839 P CA 0.164 63.141 63.100 -0.204 0.000 0.819 839 P CB 0.028 31.584 31.700 -0.240 0.000 0.927 840 F N 1.767 121.865 119.950 0.247 0.000 2.390 840 F HA 0.241 4.764 4.527 -0.006 0.000 0.307 840 F C 2.282 178.012 175.800 -0.117 0.000 1.227 840 F CA -0.214 57.913 58.000 0.212 0.000 1.179 840 F CB 0.131 39.227 39.000 0.160 0.000 1.280 840 F HN 0.220 nan 8.300 nan 0.000 0.548 841 I N 0.895 121.310 120.570 -0.257 0.000 2.264 841 I HA -0.274 3.893 4.170 -0.006 0.000 0.248 841 I C 2.072 178.051 176.117 -0.230 0.000 1.111 841 I CA 1.435 62.280 61.300 -0.759 0.000 1.382 841 I CB -0.102 37.542 38.000 -0.594 0.000 1.060 841 I HN 0.435 nan 8.210 nan 0.000 0.418 842 K N 0.402 120.773 120.400 -0.048 0.000 2.362 842 K HA -0.163 4.154 4.320 -0.006 0.000 0.200 842 K C 1.873 178.484 176.600 0.018 0.000 1.046 842 K CA 1.002 57.289 56.287 0.001 0.000 0.952 842 K CB -0.171 32.343 32.500 0.024 0.000 0.753 842 K HN 0.495 nan 8.250 nan 0.000 0.466 843 Q N -0.030 119.791 119.800 0.035 0.000 2.378 843 Q HA 0.060 4.397 4.340 -0.006 0.000 0.205 843 Q C 0.159 176.178 176.000 0.032 0.000 0.954 843 Q CA 0.548 56.379 55.803 0.046 0.000 0.901 843 Q CB 0.365 29.148 28.738 0.074 0.000 0.981 843 Q HN 0.085 nan 8.270 nan 0.000 0.483 844 I N 2.632 123.219 120.570 0.029 0.000 2.354 844 I HA 0.277 4.444 4.170 -0.006 0.000 0.292 844 I C -2.287 173.849 176.117 0.033 0.000 0.989 844 I CA -3.337 57.997 61.300 0.057 0.000 1.188 844 I CB 0.810 38.912 38.000 0.170 0.000 1.342 844 I HN -0.088 nan 8.210 nan 0.000 0.457 845 P HA 0.060 nan 4.420 nan 0.000 0.271 845 P C 0.252 177.548 177.300 -0.007 0.000 1.218 845 P CA -0.011 63.095 63.100 0.010 0.000 0.780 845 P CB 1.480 33.187 31.700 0.012 0.000 0.901 846 D N 1.450 121.842 120.400 -0.012 0.000 2.218 846 D HA -0.134 4.503 4.640 -0.006 0.000 0.204 846 D C 0.780 177.040 176.300 -0.066 0.000 0.976 846 D CA 1.162 55.141 54.000 -0.036 0.000 0.853 846 D CB -0.083 40.706 40.800 -0.019 0.000 0.939 846 D HN 0.280 nan 8.370 nan 0.000 0.481 847 K N 0.731 121.109 120.400 -0.038 0.000 2.171 847 K HA 0.178 4.494 4.320 -0.006 0.000 0.274 847 K C -0.937 175.644 176.600 -0.032 0.000 1.110 847 K CA -0.133 56.135 56.287 -0.032 0.000 0.952 847 K CB -0.314 32.182 32.500 -0.007 0.000 1.309 847 K HN 0.139 nan 8.250 nan 0.000 0.414 848 L N 4.342 125.518 121.223 -0.079 0.000 2.345 848 L HA 0.335 4.672 4.340 -0.006 0.000 0.274 848 L C -0.879 176.037 176.870 0.076 0.000 0.999 848 L CA -0.875 53.950 54.840 -0.025 0.000 0.849 848 L CB 1.556 43.514 42.059 -0.170 0.000 1.220 848 L HN 0.445 nan 8.230 nan 0.000 0.422 849 D N 4.344 124.800 120.400 0.092 0.000 2.278 849 D HA 0.590 5.227 4.640 -0.006 0.000 0.245 849 D C -0.350 175.964 176.300 0.023 0.000 1.052 849 D CA -0.069 53.974 54.000 0.071 0.000 0.834 849 D CB 2.722 43.538 40.800 0.026 0.000 1.194 849 D HN 0.234 nan 8.370 nan 0.000 0.481 850 I N 1.341 121.886 120.570 -0.042 0.000 2.474 850 I HA 0.357 4.524 4.170 -0.006 0.000 0.294 850 I C -0.511 175.430 176.117 -0.294 0.000 1.005 850 I CA -1.008 60.137 61.300 -0.257 0.000 1.113 850 I CB 2.156 39.874 38.000 -0.469 0.000 1.289 850 I HN -0.079 nan 8.210 nan 0.000 0.436 851 V N 6.334 126.059 119.914 -0.313 0.000 2.407 851 V HA 0.315 4.431 4.120 -0.006 0.000 0.291 851 V C -0.824 175.125 176.094 -0.241 0.000 1.018 851 V CA -0.723 61.447 62.300 -0.218 0.000 0.842 851 V CB 1.096 32.868 31.823 -0.086 0.000 0.996 851 V HN 0.429 nan 8.190 nan 0.000 0.426 852 Y N 3.256 123.550 120.300 -0.010 0.000 2.359 852 Y HA 0.415 4.961 4.550 -0.006 0.000 0.334 852 Y C 0.495 176.414 175.900 0.032 0.000 1.058 852 Y CA -0.438 57.662 58.100 -0.001 0.000 1.244 852 Y CB 1.319 39.775 38.460 -0.007 0.000 1.187 852 Y HN 0.398 nan 8.280 nan 0.000 0.510 853 V N 4.365 124.403 119.914 0.206 0.000 2.260 853 V HA 0.183 4.300 4.120 -0.006 0.000 0.263 853 V C -0.616 175.651 176.094 0.289 0.000 1.036 853 V CA -1.022 61.400 62.300 0.203 0.000 0.874 853 V CB -0.089 31.828 31.823 0.158 0.000 1.116 853 V HN 0.698 nan 8.190 nan 0.000 0.454 854 N N 2.500 121.347 118.700 0.244 0.000 2.430 854 N HA 0.282 5.019 4.740 -0.006 0.000 0.265 854 N C -0.184 175.475 175.510 0.248 0.000 1.100 854 N CA 0.044 53.231 53.050 0.228 0.000 0.961 854 N CB 0.515 39.080 38.487 0.129 0.000 1.075 854 N HN 0.577 nan 8.380 nan 0.000 0.478 855 H N 2.580 121.699 119.070 0.082 0.000 2.673 855 H HA 0.240 4.792 4.556 -0.006 0.000 0.293 855 H C -2.101 173.272 175.328 0.074 0.000 1.065 855 H CA -1.777 54.313 56.048 0.070 0.000 1.236 855 H CB 1.178 30.972 29.762 0.052 0.000 1.389 855 H HN 0.248 nan 8.280 nan 0.000 0.481 856 P HA -0.094 nan 4.420 nan 0.000 0.261 856 P C -0.034 177.331 177.300 0.107 0.000 1.173 856 P CA 0.230 63.398 63.100 0.112 0.000 0.760 856 P CB 0.547 32.294 31.700 0.078 0.000 0.783 857 R N 5.797 126.355 120.500 0.097 0.000 2.340 857 R HA 0.144 4.481 4.340 -0.006 0.000 0.300 857 R C -1.592 174.738 176.300 0.051 0.000 1.069 857 R CA -2.001 54.148 56.100 0.081 0.000 0.984 857 R CB -0.534 29.809 30.300 0.072 0.000 1.003 857 R HN 0.371 nan 8.270 nan 0.000 0.459 858 P HA -0.138 nan 4.420 nan 0.000 0.216 858 P C 0.125 177.452 177.300 0.044 0.000 1.150 858 P CA 1.343 64.473 63.100 0.050 0.000 0.843 858 P CB 0.373 32.111 31.700 0.063 0.000 0.787 859 D N -1.974 118.461 120.400 0.059 0.000 2.369 859 D HA 0.142 4.778 4.640 -0.006 0.000 0.211 859 D C 1.159 177.391 176.300 -0.113 0.000 1.077 859 D CA 0.268 54.319 54.000 0.086 0.000 0.842 859 D CB -0.104 40.842 40.800 0.243 0.000 0.947 859 D HN 0.061 nan 8.370 nan 0.000 0.509 860 G N 1.777 110.504 108.800 -0.122 0.000 2.448 860 G HA2 0.382 4.339 3.960 -0.006 0.000 0.285 860 G HA3 0.382 4.339 3.960 -0.006 0.000 0.285 860 G C -2.524 172.191 174.900 -0.308 0.000 1.176 860 G CA -1.116 43.858 45.100 -0.210 0.000 0.852 860 G HN -0.140 nan 8.290 nan 0.000 0.530 861 P HA 0.099 nan 4.420 nan 0.000 0.270 861 P C -0.198 176.781 177.300 -0.534 0.000 1.242 861 P CA 0.141 62.847 63.100 -0.657 0.000 0.768 861 P CB -0.094 31.265 31.700 -0.568 0.000 0.820 862 F N 2.204 121.971 119.950 -0.306 0.000 3.069 862 F HA -0.250 4.273 4.527 -0.006 0.000 0.285 862 F C 1.459 177.193 175.800 -0.109 0.000 0.827 862 F CA 0.812 58.603 58.000 -0.348 0.000 1.108 862 F CB -2.593 35.882 39.000 -0.875 0.000 1.252 862 F HN 0.630 nan 8.300 nan 0.000 0.483 863 G N -0.966 107.847 108.800 0.022 0.000 2.157 863 G HA2 0.019 3.975 3.960 -0.006 0.000 0.248 863 G HA3 0.019 3.975 3.960 -0.006 0.000 0.248 863 G C 0.226 175.202 174.900 0.126 0.000 0.979 863 G CA -0.056 45.089 45.100 0.074 0.000 0.650 863 G HN 1.546 nan 8.290 nan 0.000 0.529 864 A N 0.204 123.127 122.820 0.173 0.000 2.388 864 A HA 0.791 5.108 4.320 -0.006 0.000 0.257 864 A C 0.930 178.556 177.584 0.070 0.000 1.095 864 A CA 0.975 53.124 52.037 0.187 0.000 0.791 864 A CB 0.574 19.770 19.000 0.326 0.000 1.029 864 A HN 1.938 nan 8.150 nan 0.000 0.489 865 S N 1.573 117.307 115.700 0.058 0.000 2.758 865 S HA 0.770 5.237 4.470 -0.006 0.000 0.292 865 S C 0.668 175.263 174.600 -0.009 0.000 1.131 865 S CA -0.160 58.048 58.200 0.013 0.000 0.997 865 S CB 0.819 64.036 63.200 0.029 0.000 1.111 865 S HN 1.401 nan 8.310 nan 0.000 0.552 866 G N -1.209 107.565 108.800 -0.043 0.000 2.611 866 G HA2 0.447 4.403 3.960 -0.006 0.000 0.273 866 G HA3 0.447 4.403 3.960 -0.006 0.000 0.273 866 G C 0.289 175.173 174.900 -0.027 0.000 1.305 866 G CA -0.000 45.075 45.100 -0.042 0.000 1.010 866 G HN 1.237 nan 8.290 nan 0.000 0.509 867 V N -1.146 118.754 119.914 -0.023 0.000 3.221 867 V HA 0.246 4.363 4.120 -0.006 0.000 0.254 867 V C 2.289 178.369 176.094 -0.024 0.000 1.586 867 V CA 1.663 63.952 62.300 -0.019 0.000 1.074 867 V CB -0.221 31.593 31.823 -0.015 0.000 0.912 867 V HN 0.919 nan 8.190 nan 0.000 0.426 868 G N 0.492 109.276 108.800 -0.028 0.000 2.599 868 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.219 868 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.219 868 G C 1.143 176.020 174.900 -0.039 0.000 1.193 868 G CA 1.685 46.763 45.100 -0.038 0.000 0.778 868 G HN 0.624 nan 8.290 nan 0.000 0.589 869 E N -0.380 119.784 120.200 -0.059 0.000 2.447 869 E HA 0.173 4.519 4.350 -0.006 0.000 0.195 869 E C 2.199 178.724 176.600 -0.124 0.000 1.028 869 E CA -0.376 55.950 56.400 -0.124 0.000 0.876 869 E CB 0.087 29.636 29.700 -0.250 0.000 0.885 869 E HN 0.293 nan 8.360 nan 0.000 0.500 870 L N 2.687 123.876 121.223 -0.057 0.000 1.997 870 L HA -0.156 4.181 4.340 -0.006 0.000 0.216 870 L C -0.933 175.992 176.870 0.092 0.000 1.074 870 L CA 2.153 56.984 54.840 -0.016 0.000 0.763 870 L CB -0.847 41.194 42.059 -0.029 0.000 0.890 870 L HN 0.077 nan 8.230 nan 0.000 0.434 871 P HA -0.127 nan 4.420 nan 0.000 0.234 871 P C 1.346 178.797 177.300 0.251 0.000 1.167 871 P CA 0.903 64.140 63.100 0.228 0.000 0.763 871 P CB 0.091 31.853 31.700 0.103 0.000 0.835 872 L N -0.014 121.250 121.223 0.069 0.000 2.766 872 L HA 0.154 4.491 4.340 -0.006 0.000 0.242 872 L C 1.989 178.790 176.870 -0.114 0.000 1.136 872 L CA 0.786 55.592 54.840 -0.058 0.000 0.933 872 L CB -1.005 40.984 42.059 -0.117 0.000 1.241 872 L HN -0.088 nan 8.230 nan 0.000 0.522 873 T N -3.038 111.464 114.554 -0.087 0.000 2.652 873 T HA -0.134 4.212 4.350 -0.006 0.000 0.267 873 T C 1.254 175.823 174.700 -0.218 0.000 1.039 873 T CA 1.540 63.541 62.100 -0.163 0.000 1.153 873 T CB -0.492 68.331 68.868 -0.075 0.000 0.863 873 T HN 0.431 nan 8.240 nan 0.000 0.428 874 S N -0.116 115.276 115.700 -0.514 0.000 3.093 874 S HA 0.350 4.817 4.470 -0.006 0.000 0.251 874 S C -1.677 172.180 174.600 -1.238 0.000 0.905 874 S CA -0.602 57.081 58.200 -0.862 0.000 1.124 874 S CB 0.957 63.839 63.200 -0.530 0.000 1.124 874 S HN 0.346 nan 8.310 nan 0.000 0.574 875 P HA -0.175 nan 4.420 nan 0.000 0.218 875 P C 1.480 178.537 177.300 -0.406 0.000 1.149 875 P CA 1.521 64.055 63.100 -0.944 0.000 0.817 875 P CB -0.455 30.990 31.700 -0.424 0.000 0.785 876 H N 0.079 118.949 119.070 -0.333 0.000 2.456 876 H HA 0.097 4.650 4.556 -0.005 0.000 0.296 876 H C 1.799 177.127 175.328 -0.000 0.000 1.079 876 H CA 1.366 57.303 56.048 -0.185 0.000 1.322 876 H CB -1.366 28.234 29.762 -0.270 0.000 1.388 876 H HN 0.082 nan 8.280 nan 0.000 0.538 877 A N 1.827 124.415 122.820 -0.387 0.000 1.897 877 A HA 0.112 4.429 4.320 -0.006 0.000 0.215 877 A C 2.805 180.279 177.584 -0.183 0.000 1.181 877 A CA 1.687 53.589 52.037 -0.225 0.000 0.620 877 A CB -0.939 17.818 19.000 -0.406 0.000 0.821 877 A HN 0.555 nan 8.150 nan 0.000 0.443 878 A N 0.083 122.772 122.820 -0.218 0.000 1.902 878 A HA -0.103 4.213 4.320 -0.006 0.000 0.217 878 A C 2.103 179.662 177.584 -0.042 0.000 1.181 878 A CA 1.579 53.556 52.037 -0.099 0.000 0.623 878 A CB -0.631 18.339 19.000 -0.049 0.000 0.818 878 A HN 0.501 nan 8.150 nan 0.000 0.443 879 I N -0.995 119.550 120.570 -0.042 0.000 2.226 879 I HA -0.235 3.932 4.170 -0.006 0.000 0.245 879 I C 2.191 178.315 176.117 0.012 0.000 1.100 879 I CA 1.115 62.413 61.300 -0.004 0.000 1.374 879 I CB -0.265 37.731 38.000 -0.007 0.000 1.057 879 I HN 0.222 nan 8.210 nan 0.000 0.413 880 I N 0.948 121.539 120.570 0.035 0.000 2.315 880 I HA -0.240 3.926 4.170 -0.006 0.000 0.248 880 I C 2.116 178.226 176.117 -0.011 0.000 1.117 880 I CA 1.357 62.686 61.300 0.049 0.000 1.404 880 I CB -0.690 37.420 38.000 0.184 0.000 1.071 880 I HN 0.213 nan 8.210 nan 0.000 0.419 881 N N 0.587 119.264 118.700 -0.038 0.000 2.223 881 N HA -0.099 4.638 4.740 -0.006 0.000 0.185 881 N C 1.903 177.413 175.510 -0.000 0.000 1.016 881 N CA 1.447 54.473 53.050 -0.038 0.000 0.863 881 N CB -0.360 38.097 38.487 -0.051 0.000 0.983 881 N HN 0.393 nan 8.380 nan 0.000 0.429 882 A N 0.935 123.763 122.820 0.012 0.000 1.929 882 A HA 0.003 4.319 4.320 -0.006 0.000 0.216 882 A C 2.299 179.894 177.584 0.019 0.000 1.176 882 A CA 0.651 52.706 52.037 0.028 0.000 0.628 882 A CB -0.530 18.491 19.000 0.035 0.000 0.816 882 A HN 0.191 nan 8.150 nan 0.000 0.444 883 I N -0.406 120.171 120.570 0.012 0.000 2.208 883 I HA -0.282 3.885 4.170 -0.006 0.000 0.245 883 I C 2.530 178.649 176.117 0.003 0.000 1.097 883 I CA 1.916 63.221 61.300 0.009 0.000 1.363 883 I CB -0.205 37.800 38.000 0.008 0.000 1.051 883 I HN 0.298 nan 8.210 nan 0.000 0.413 884 K N 1.073 121.469 120.400 -0.007 0.000 2.032 884 K HA -0.202 4.114 4.320 -0.006 0.000 0.209 884 K C 2.274 178.877 176.600 0.005 0.000 1.048 884 K CA 2.081 58.362 56.287 -0.010 0.000 0.927 884 K CB -0.590 31.893 32.500 -0.029 0.000 0.712 884 K HN 0.145 nan 8.250 nan 0.000 0.441 885 S N -0.458 115.250 115.700 0.013 0.000 2.365 885 S HA -0.192 4.274 4.470 -0.006 0.000 0.225 885 S C 1.988 176.596 174.600 0.014 0.000 1.039 885 S CA 1.661 59.874 58.200 0.021 0.000 1.033 885 S CB -0.656 62.566 63.200 0.036 0.000 0.887 885 S HN 0.476 nan 8.310 nan 0.000 0.447 886 A N 0.115 122.943 122.820 0.013 0.000 1.898 886 A HA -0.019 4.298 4.320 -0.006 0.000 0.216 886 A C 2.373 179.962 177.584 0.008 0.000 1.181 886 A CA 2.287 54.331 52.037 0.011 0.000 0.620 886 A CB -0.898 18.110 19.000 0.014 0.000 0.819 886 A HN 0.815 nan 8.150 nan 0.000 0.442 887 T N -6.887 107.671 114.554 0.007 0.000 2.986 887 T HA 0.444 4.791 4.350 -0.006 0.000 0.264 887 T C 1.370 176.075 174.700 0.009 0.000 0.964 887 T CA 1.043 63.147 62.100 0.006 0.000 0.895 887 T CB 0.470 69.341 68.868 0.004 0.000 1.163 887 T HN 1.784 nan 8.240 nan 0.000 0.517 888 G N 1.554 110.360 108.800 0.010 0.000 2.179 888 G HA2 -0.220 3.736 3.960 -0.006 0.000 0.260 888 G HA3 -0.220 3.736 3.960 -0.006 0.000 0.260 888 G C 0.158 175.067 174.900 0.015 0.000 0.977 888 G CA 0.352 45.460 45.100 0.013 0.000 0.641 888 G HN 1.638 nan 8.290 nan 0.000 0.533 889 V N -2.054 117.867 119.914 0.011 0.000 2.532 889 V HA 0.875 4.992 4.120 -0.006 0.000 0.295 889 V C 0.170 176.253 176.094 -0.017 0.000 1.041 889 V CA -0.961 61.348 62.300 0.015 0.000 0.926 889 V CB 1.763 33.602 31.823 0.027 0.000 0.992 889 V HN 0.529 nan 8.190 nan 0.000 0.457 890 R N 4.570 125.042 120.500 -0.047 0.000 2.295 890 R HA 0.588 4.925 4.340 -0.006 0.000 0.324 890 R C -1.022 175.141 176.300 -0.227 0.000 0.968 890 R CA -0.809 55.167 56.100 -0.206 0.000 0.837 890 R CB 1.255 31.307 30.300 -0.412 0.000 1.133 890 R HN 0.789 nan 8.270 nan 0.000 0.450 891 I N 6.301 126.793 120.570 -0.130 0.000 2.312 891 I HA 0.076 4.243 4.170 -0.006 0.000 0.291 891 I C 0.097 176.246 176.117 0.052 0.000 1.031 891 I CA -0.070 61.241 61.300 0.018 0.000 1.293 891 I CB 0.742 38.787 38.000 0.074 0.000 1.403 891 I HN 0.828 nan 8.210 nan 0.000 0.484 892 Y N 5.338 125.782 120.300 0.239 0.000 2.509 892 Y HA 0.221 4.767 4.550 -0.006 0.000 0.270 892 Y C 0.807 176.991 175.900 0.474 0.000 1.103 892 Y CA 0.148 58.452 58.100 0.340 0.000 1.278 892 Y CB 0.398 38.888 38.460 0.049 0.000 1.087 892 Y HN 0.358 nan 8.280 nan 0.000 0.542 893 R N 1.076 121.835 120.500 0.432 0.000 2.388 893 R HA 0.422 4.758 4.340 -0.006 0.000 0.314 893 R C -1.189 175.211 176.300 0.167 0.000 0.959 893 R CA -0.395 55.915 56.100 0.350 0.000 0.851 893 R CB 1.477 31.930 30.300 0.255 0.000 1.168 893 R HN 0.041 nan 8.270 nan 0.000 0.472 894 L N 4.451 125.680 121.223 0.010 0.000 2.436 894 L HA 0.397 4.733 4.340 -0.006 0.000 0.265 894 L C -1.660 175.108 176.870 -0.169 0.000 1.168 894 L CA -1.778 52.937 54.840 -0.209 0.000 0.815 894 L CB 0.419 42.182 42.059 -0.493 0.000 1.109 894 L HN 0.302 nan 8.230 nan 0.000 0.462 895 P HA 0.168 nan 4.420 nan 0.000 0.280 895 P C -1.093 175.942 177.300 -0.441 0.000 1.272 895 P CA -0.691 62.115 63.100 -0.491 0.000 0.819 895 P CB 1.178 32.467 31.700 -0.685 0.000 1.122 896 A N 1.680 124.342 122.820 -0.265 0.000 3.091 896 A HA 0.204 4.521 4.320 -0.006 0.000 0.264 896 A C 0.050 177.602 177.584 -0.052 0.000 1.673 896 A CA -0.475 51.497 52.037 -0.108 0.000 1.362 896 A CB -1.874 17.103 19.000 -0.039 0.000 1.137 896 A HN 0.420 nan 8.150 nan 0.000 0.617 897 Y N 0.450 120.759 120.300 0.016 0.000 2.788 897 Y HA -0.020 4.527 4.550 -0.006 0.000 0.341 897 Y C -0.998 174.913 175.900 0.018 0.000 1.258 897 Y CA -1.150 56.961 58.100 0.017 0.000 1.503 897 Y CB 0.249 38.724 38.460 0.025 0.000 1.325 897 Y HN 0.448 nan 8.280 nan 0.000 0.614 898 P HA -0.277 nan 4.420 nan 0.000 0.216 898 P C 1.295 178.647 177.300 0.086 0.000 1.157 898 P CA 2.055 65.215 63.100 0.101 0.000 0.880 898 P CB 0.148 31.893 31.700 0.075 0.000 0.791 899 E N -0.061 120.192 120.200 0.089 0.000 2.110 899 E HA -0.248 4.099 4.350 -0.006 0.000 0.193 899 E C 2.096 178.743 176.600 0.078 0.000 0.988 899 E CA 1.168 57.605 56.400 0.061 0.000 0.804 899 E CB -0.249 29.470 29.700 0.031 0.000 0.745 899 E HN 0.072 nan 8.360 nan 0.000 0.458 900 K N 0.159 120.634 120.400 0.125 0.000 2.057 900 K HA -0.135 4.182 4.320 -0.006 0.000 0.207 900 K C 2.033 178.685 176.600 0.086 0.000 1.049 900 K CA 1.437 57.795 56.287 0.118 0.000 0.931 900 K CB 0.050 32.647 32.500 0.162 0.000 0.714 900 K HN 0.059 nan 8.250 nan 0.000 0.440 901 V N 1.735 121.696 119.914 0.078 0.000 2.358 901 V HA -0.236 3.880 4.120 -0.006 0.000 0.246 901 V C 2.356 178.474 176.094 0.040 0.000 1.047 901 V CA 1.414 63.746 62.300 0.053 0.000 1.035 901 V CB -0.324 31.523 31.823 0.042 0.000 0.658 901 V HN 0.344 nan 8.190 nan 0.000 0.452 902 L N -0.259 120.986 121.223 0.037 0.000 2.012 902 L HA -0.233 4.104 4.340 -0.006 0.000 0.210 902 L C 2.661 179.548 176.870 0.028 0.000 1.073 902 L CA 1.876 56.731 54.840 0.025 0.000 0.748 902 L CB -0.546 41.525 42.059 0.020 0.000 0.891 902 L HN 0.423 nan 8.230 nan 0.000 0.431 903 E N -0.214 120.008 120.200 0.036 0.000 2.085 903 E HA -0.245 4.102 4.350 -0.006 0.000 0.194 903 E C 2.220 178.843 176.600 0.039 0.000 0.994 903 E CA 1.224 57.645 56.400 0.036 0.000 0.801 903 E CB -0.164 29.561 29.700 0.042 0.000 0.743 903 E HN 0.527 nan 8.360 nan 0.000 0.453 904 A N 1.116 123.964 122.820 0.048 0.000 1.898 904 A HA -0.148 4.169 4.320 -0.006 0.000 0.216 904 A C 2.195 179.802 177.584 0.039 0.000 1.181 904 A CA 0.987 53.056 52.037 0.052 0.000 0.620 904 A CB -0.632 18.406 19.000 0.064 0.000 0.819 904 A HN 0.133 nan 8.150 nan 0.000 0.442 905 L N -0.946 120.295 121.223 0.029 0.000 2.079 905 L HA -0.193 4.143 4.340 -0.006 0.000 0.210 905 L C 2.233 179.113 176.870 0.017 0.000 1.081 905 L CA 1.728 56.579 54.840 0.019 0.000 0.752 905 L CB -0.271 41.794 42.059 0.010 0.000 0.896 905 L HN 0.346 nan 8.230 nan 0.000 0.433 906 K N -0.511 119.900 120.400 0.018 0.000 2.393 906 K HA 0.213 4.530 4.320 -0.006 0.000 0.193 906 K C 0.896 177.506 176.600 0.016 0.000 1.026 906 K CA -0.027 56.269 56.287 0.014 0.000 1.064 906 K CB 0.332 32.839 32.500 0.012 0.000 0.833 906 K HN 0.195 nan 8.250 nan 0.000 0.521 907 A N 0.000 122.833 122.820 0.022 0.000 2.254 907 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 907 A CA 0.000 52.050 52.037 0.022 0.000 0.836 907 A CB 0.000 19.018 19.000 0.029 0.000 0.831 907 A HN 0.000 nan 8.150 nan 0.000 0.486