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 2vot_1_B DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG DRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGXELPVNIK HIRETYKEHH 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.510 175.510 0.001 0.000 1.280 28 N CA 0.000 53.051 53.050 0.002 0.000 0.885 28 N CB 0.000 38.486 38.487 -0.003 0.000 1.341 29 D N -0.750 119.655 120.400 0.009 0.000 2.825 29 D HA 0.327 4.967 4.640 0.000 0.000 0.327 29 D C 0.403 176.721 176.300 0.030 0.000 1.277 29 D CA 0.510 54.519 54.000 0.014 0.000 0.950 29 D CB 0.545 41.349 40.800 0.007 0.000 1.438 29 D HN 0.002 nan 8.370 nan 0.000 0.526 30 T N -2.657 111.922 114.554 0.042 0.000 3.129 30 T HA 0.205 4.555 4.350 0.000 0.000 0.251 30 T C 0.767 175.516 174.700 0.082 0.000 1.117 30 T CA 0.307 62.438 62.100 0.052 0.000 1.034 30 T CB -0.831 68.067 68.868 0.049 0.000 0.968 30 T HN 0.577 nan 8.240 nan 0.000 0.526 31 S N 0.779 116.539 115.700 0.100 0.000 2.593 31 S HA 0.275 4.745 4.470 0.000 0.000 0.269 31 S C -0.204 174.477 174.600 0.135 0.000 1.334 31 S CA -0.865 57.426 58.200 0.151 0.000 1.015 31 S CB 1.102 64.392 63.200 0.151 0.000 0.912 31 S HN 0.633 nan 8.310 nan 0.000 0.541 32 E N 0.868 121.187 120.200 0.199 0.000 2.199 32 E HA 0.536 4.886 4.350 0.000 0.000 0.269 32 E C -1.600 175.156 176.600 0.260 0.000 0.899 32 E CA -0.992 55.517 56.400 0.182 0.000 0.772 32 E CB 1.658 31.431 29.700 0.122 0.000 1.155 32 E HN 0.548 nan 8.360 nan 0.000 0.408 33 V N 5.532 125.546 119.914 0.166 0.000 2.417 33 V HA 0.344 4.464 4.120 0.000 0.000 0.291 33 V C 0.016 176.194 176.094 0.140 0.000 1.024 33 V CA -0.686 61.699 62.300 0.141 0.000 0.861 33 V CB 1.413 33.275 31.823 0.064 0.000 0.985 33 V HN 0.806 nan 8.190 nan 0.000 0.436 34 M N 5.965 125.664 119.600 0.163 0.000 2.149 34 M HA 0.552 5.032 4.480 0.000 0.000 0.342 34 M C -1.459 174.857 176.300 0.026 0.000 1.068 34 M CA -0.529 54.841 55.300 0.116 0.000 0.991 34 M CB 1.178 33.901 32.600 0.206 0.000 1.596 34 M HN 0.555 nan 8.290 nan 0.000 0.439 35 L N 5.859 127.100 121.223 0.030 0.000 2.305 35 L HA 0.322 4.662 4.340 0.000 0.000 0.281 35 L C -0.580 176.313 176.870 0.038 0.000 1.085 35 L CA -0.352 54.503 54.840 0.025 0.000 0.813 35 L CB 1.092 43.178 42.059 0.045 0.000 1.157 35 L HN 0.760 nan 8.230 nan 0.000 0.436 36 L N 4.446 125.702 121.223 0.056 0.000 2.556 36 L HA 0.165 4.505 4.340 0.000 0.000 0.245 36 L C 0.015 177.144 176.870 0.433 0.000 1.174 36 L CA -0.195 54.736 54.840 0.152 0.000 1.117 36 L CB -0.052 42.056 42.059 0.083 0.000 1.409 36 L HN 0.672 nan 8.230 nan 0.000 0.411 37 D N -1.562 119.027 120.400 0.314 0.000 2.469 37 D HA 0.046 4.686 4.640 0.000 0.000 0.213 37 D C 0.598 177.115 176.300 0.361 0.000 1.135 37 D CA 0.016 54.204 54.000 0.313 0.000 0.834 37 D CB 0.483 41.377 40.800 0.157 0.000 1.009 37 D HN 0.321 nan 8.370 nan 0.000 0.507 38 T N -5.070 109.695 114.554 0.352 0.000 2.887 38 T HA 0.538 4.888 4.350 0.000 0.000 0.292 38 T C 0.981 175.826 174.700 0.242 0.000 1.087 38 T CA -0.295 61.983 62.100 0.296 0.000 1.009 38 T CB 1.661 70.634 68.868 0.174 0.000 1.203 38 T HN 0.373 nan 8.240 nan 0.000 0.518 39 G N -0.248 108.680 108.800 0.213 0.000 2.160 39 G HA2 -0.210 3.750 3.960 0.000 0.000 0.251 39 G HA3 -0.210 3.750 3.960 0.000 0.000 0.251 39 G C -0.234 174.739 174.900 0.120 0.000 1.008 39 G CA 0.030 45.204 45.100 0.124 0.000 0.724 39 G HN 0.764 nan 8.290 nan 0.000 0.514 40 W N 0.204 121.617 121.300 0.188 0.000 2.375 40 W HA 0.691 5.351 4.660 -0.000 0.000 0.336 40 W C 0.731 177.416 176.519 0.276 0.000 1.160 40 W CA -0.470 57.023 57.345 0.246 0.000 1.266 40 W CB 0.856 30.507 29.460 0.318 0.000 1.195 40 W HN 0.195 nan 8.180 nan 0.000 0.599 41 E N 1.199 121.746 120.200 0.580 0.000 2.416 41 E HA 0.584 4.934 4.350 0.000 0.000 0.273 41 E C -1.365 175.609 176.600 0.624 0.000 0.935 41 E CA -1.089 55.635 56.400 0.541 0.000 0.784 41 E CB 2.527 32.461 29.700 0.391 0.000 1.301 41 E HN 0.318 nan 8.360 nan 0.000 0.454 42 F N -1.268 118.801 119.950 0.198 0.000 2.643 42 F HA 0.844 5.371 4.527 0.000 0.000 0.314 42 F C -0.944 174.676 175.800 -0.300 0.000 1.096 42 F CA -0.817 57.032 58.000 -0.251 0.000 0.953 42 F CB 2.152 40.587 39.000 -0.941 0.000 1.345 42 F HN 0.339 nan 8.300 nan 0.000 0.468 43 S N 1.114 116.372 115.700 -0.737 0.000 2.562 43 S HA 0.208 4.678 4.470 0.000 0.000 0.274 43 S C -1.668 172.674 174.600 -0.430 0.000 1.160 43 S CA -0.676 56.935 58.200 -0.981 0.000 0.933 43 S CB 1.603 63.590 63.200 -2.022 0.000 1.100 43 S HN 1.036 nan 8.310 nan 0.000 0.468 44 Q N 2.880 122.473 119.800 -0.345 0.000 2.271 44 Q HA 0.227 4.567 4.340 0.000 0.000 0.273 44 Q C 0.002 175.669 176.000 -0.554 0.000 1.051 44 Q CA 0.116 55.524 55.803 -0.659 0.000 0.901 44 Q CB 0.532 28.948 28.738 -0.536 0.000 1.174 44 Q HN 0.669 nan 8.270 nan 0.000 0.385 45 S N 3.126 118.480 115.700 -0.577 0.000 2.533 45 S HA 0.387 4.857 4.470 0.000 0.000 0.282 45 S C 0.966 175.425 174.600 -0.236 0.000 1.304 45 S CA 0.797 58.788 58.200 -0.348 0.000 1.063 45 S CB 0.342 63.343 63.200 -0.333 0.000 0.881 45 S HN 1.040 nan 8.310 nan 0.000 0.493 46 G N 3.053 111.770 108.800 -0.139 0.000 2.232 46 G HA2 -0.296 3.664 3.960 0.000 0.000 0.226 46 G HA3 -0.296 3.664 3.960 0.000 0.000 0.226 46 G C 0.916 175.748 174.900 -0.113 0.000 0.996 46 G CA 0.948 45.990 45.100 -0.096 0.000 0.626 46 G HN 1.470 nan 8.290 nan 0.000 0.509 47 T N -1.913 112.535 114.554 -0.176 0.000 3.051 47 T HA 0.386 4.737 4.350 0.000 0.000 0.255 47 T C 1.162 175.778 174.700 -0.140 0.000 1.085 47 T CA 1.359 63.361 62.100 -0.163 0.000 1.109 47 T CB -0.061 68.685 68.868 -0.203 0.000 0.921 47 T HN 0.902 nan 8.240 nan 0.000 0.488 48 E N -0.046 120.058 120.200 -0.159 0.000 3.370 48 E HA -0.197 4.153 4.350 0.000 0.000 0.291 48 E C 0.041 176.613 176.600 -0.047 0.000 0.916 48 E CA 0.779 57.158 56.400 -0.034 0.000 0.981 48 E CB -1.285 28.449 29.700 0.057 0.000 1.498 48 E HN 0.627 nan 8.360 nan 0.000 0.452 49 K N 0.817 121.065 120.400 -0.253 0.000 2.263 49 K HA 0.342 4.662 4.320 0.000 0.000 0.272 49 K C -1.065 175.284 176.600 -0.420 0.000 1.033 49 K CA -0.525 55.642 56.287 -0.200 0.000 0.884 49 K CB 0.629 33.020 32.500 -0.182 0.000 1.107 49 K HN -0.022 nan 8.250 nan 0.000 0.460 50 W N 4.493 125.703 121.300 -0.151 0.000 2.570 50 W HA 0.472 5.133 4.660 0.000 0.000 0.337 50 W C -0.118 176.268 176.519 -0.222 0.000 1.067 50 W CA -0.813 56.416 57.345 -0.193 0.000 1.229 50 W CB 1.408 30.815 29.460 -0.088 0.000 1.355 50 W HN 0.182 nan 8.180 nan 0.000 0.555 51 M N 2.285 121.857 119.600 -0.048 0.000 2.520 51 M HA 0.316 4.796 4.480 0.000 0.000 0.283 51 M C -2.659 173.798 176.300 0.262 0.000 1.237 51 M CA -2.553 52.702 55.300 -0.076 0.000 0.885 51 M CB 1.692 34.035 32.600 -0.428 0.000 1.727 51 M HN 0.010 nan 8.290 nan 0.000 0.468 52 P HA 0.285 nan 4.420 nan 0.000 0.266 52 P C -1.145 176.530 177.300 0.624 0.000 1.195 52 P CA 0.093 63.464 63.100 0.451 0.000 0.768 52 P CB 0.550 32.480 31.700 0.384 0.000 0.838 53 A N 2.414 125.541 122.820 0.512 0.000 2.430 53 A HA 0.785 5.105 4.320 0.000 0.000 0.300 53 A C -0.710 177.040 177.584 0.276 0.000 1.124 53 A CA -0.390 51.867 52.037 0.367 0.000 0.766 53 A CB 1.109 20.380 19.000 0.452 0.000 1.328 53 A HN 0.393 nan 8.150 nan 0.000 0.424 54 T N 0.737 115.364 114.554 0.122 0.000 2.807 54 T HA 0.591 4.941 4.350 0.000 0.000 0.279 54 T C -1.039 173.627 174.700 -0.057 0.000 0.993 54 T CA -0.265 61.874 62.100 0.065 0.000 0.970 54 T CB 1.165 70.048 68.868 0.026 0.000 0.950 54 T HN 0.563 nan 8.240 nan 0.000 0.441 55 V N 5.617 125.458 119.914 -0.123 0.000 2.577 55 V HA 0.413 4.533 4.120 0.000 0.000 0.303 55 V C -2.323 173.672 176.094 -0.165 0.000 1.042 55 V CA -2.060 60.036 62.300 -0.341 0.000 0.872 55 V CB 2.035 33.245 31.823 -1.023 0.000 0.998 55 V HN 0.689 nan 8.190 nan 0.000 0.423 56 P HA 0.522 nan 4.420 nan 0.000 0.269 56 P C 0.162 177.390 177.300 -0.120 0.000 1.209 56 P CA 0.390 63.401 63.100 -0.149 0.000 0.776 56 P CB 0.847 32.499 31.700 -0.080 0.000 0.876 57 G N 0.012 108.722 108.800 -0.149 0.000 2.427 57 G HA2 0.602 4.562 3.960 0.000 0.000 0.306 57 G HA3 0.602 4.562 3.960 0.000 0.000 0.306 57 G C -1.476 173.312 174.900 -0.187 0.000 1.280 57 G CA -0.327 44.695 45.100 -0.130 0.000 0.837 57 G HN 0.643 nan 8.290 nan 0.000 0.482 58 T N -2.818 111.612 114.554 -0.206 0.000 2.896 58 T HA 0.564 4.914 4.350 0.000 0.000 0.297 58 T C 1.007 175.511 174.700 -0.327 0.000 1.108 58 T CA 0.102 62.047 62.100 -0.258 0.000 1.004 58 T CB 1.554 70.324 68.868 -0.163 0.000 1.159 58 T HN 0.780 nan 8.240 nan 0.000 0.499 59 V N 1.068 120.729 119.914 -0.422 0.000 2.287 59 V HA -0.204 3.916 4.120 0.000 0.000 0.248 59 V C 2.477 178.177 176.094 -0.657 0.000 1.053 59 V CA 2.248 64.154 62.300 -0.657 0.000 1.027 59 V CB -1.221 29.975 31.823 -1.045 0.000 0.646 59 V HN 0.989 nan 8.190 nan 0.000 0.447 60 H N -0.582 118.184 119.070 -0.507 0.000 2.319 60 H HA -0.206 4.351 4.556 0.000 0.000 0.299 60 H C 2.304 177.449 175.328 -0.304 0.000 1.092 60 H CA 2.048 57.856 56.048 -0.400 0.000 1.302 60 H CB -0.205 29.350 29.762 -0.345 0.000 1.373 60 H HN 0.386 nan 8.280 nan 0.000 0.497 61 Q N 0.705 120.415 119.800 -0.150 0.000 2.079 61 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 61 Q C 1.429 177.312 176.000 -0.194 0.000 0.974 61 Q CA 1.684 57.401 55.803 -0.144 0.000 0.840 61 Q CB -0.116 28.558 28.738 -0.106 0.000 0.898 61 Q HN 0.408 nan 8.270 nan 0.000 0.430 62 D N -0.166 120.043 120.400 -0.319 0.000 2.123 62 D HA -0.158 4.482 4.640 0.000 0.000 0.196 62 D C 1.910 178.109 176.300 -0.169 0.000 0.992 62 D CA 1.185 54.929 54.000 -0.426 0.000 0.833 62 D CB -0.149 39.995 40.800 -1.092 0.000 0.954 62 D HN 0.313 nan 8.370 nan 0.000 0.455 63 L N 0.473 121.597 121.223 -0.165 0.000 2.017 63 L HA -0.157 4.184 4.340 0.000 0.000 0.208 63 L C 2.595 179.511 176.870 0.077 0.000 1.073 63 L CA 0.766 55.655 54.840 0.082 0.000 0.745 63 L CB -0.369 41.652 42.059 -0.064 0.000 0.894 63 L HN 0.011 nan 8.230 nan 0.000 0.432 64 I N -0.686 119.870 120.570 -0.024 0.000 2.208 64 I HA -0.301 3.869 4.170 0.000 0.000 0.245 64 I C 2.522 178.624 176.117 -0.024 0.000 1.097 64 I CA 1.226 62.518 61.300 -0.014 0.000 1.363 64 I CB -0.308 37.660 38.000 -0.054 0.000 1.051 64 I HN 0.151 nan 8.210 nan 0.000 0.413 65 S N -0.848 114.793 115.700 -0.100 0.000 2.469 65 S HA -0.129 4.341 4.470 0.000 0.000 0.238 65 S C 1.336 175.769 174.600 -0.278 0.000 0.998 65 S CA 0.925 59.004 58.200 -0.202 0.000 0.957 65 S CB -0.320 62.710 63.200 -0.284 0.000 0.764 65 S HN 0.449 nan 8.310 nan 0.000 0.514 66 H N 0.598 119.729 119.070 0.103 0.000 2.528 66 H HA 0.248 4.804 4.556 0.000 0.000 0.282 66 H C 0.026 175.416 175.328 0.104 0.000 1.097 66 H CA -0.032 56.088 56.048 0.121 0.000 1.121 66 H CB -0.067 29.799 29.762 0.174 0.000 1.590 66 H HN 0.473 nan 8.280 nan 0.000 0.553 67 E N 0.703 120.993 120.200 0.150 0.000 2.539 67 E HA -0.214 4.136 4.350 0.000 0.000 0.253 67 E C 0.436 177.130 176.600 0.157 0.000 1.145 67 E CA 0.185 56.660 56.400 0.126 0.000 0.738 67 E CB -1.570 28.191 29.700 0.101 0.000 1.308 67 E HN 0.468 nan 8.360 nan 0.000 0.409 68 L N -0.395 120.950 121.223 0.204 0.000 2.592 68 L HA 0.251 4.591 4.340 0.000 0.000 0.227 68 L C 0.788 177.834 176.870 0.293 0.000 1.127 68 L CA 0.371 55.360 54.840 0.248 0.000 0.884 68 L CB 0.219 42.463 42.059 0.309 0.000 1.065 68 L HN 0.125 nan 8.230 nan 0.000 0.457 69 L N -0.049 121.295 121.223 0.202 0.000 2.388 69 L HA 0.514 4.855 4.340 0.000 0.000 0.264 69 L C -2.313 174.633 176.870 0.126 0.000 0.998 69 L CA -1.836 53.114 54.840 0.183 0.000 0.817 69 L CB 2.688 44.797 42.059 0.082 0.000 1.338 69 L HN -0.213 nan 8.230 nan 0.000 0.414 70 P HA 0.049 nan 4.420 nan 0.000 0.274 70 P C -0.831 176.519 177.300 0.083 0.000 1.246 70 P CA -0.515 62.650 63.100 0.109 0.000 0.795 70 P CB 0.432 32.215 31.700 0.139 0.000 1.006 71 N N 2.728 121.477 118.700 0.083 0.000 2.347 71 N HA -0.068 4.672 4.740 0.000 0.000 0.278 71 N C -1.229 174.346 175.510 0.109 0.000 1.367 71 N CA -1.069 52.027 53.050 0.077 0.000 0.898 71 N CB -0.139 38.441 38.487 0.155 0.000 1.203 71 N HN 0.226 nan 8.380 nan 0.000 0.491 72 P HA -0.087 nan 4.420 nan 0.000 0.226 72 P C 0.705 178.167 177.300 0.269 0.000 1.153 72 P CA 0.945 64.054 63.100 0.015 0.000 0.777 72 P CB 0.019 31.611 31.700 -0.178 0.000 0.794 73 F N -1.986 118.129 119.950 0.275 0.000 2.664 73 F HA 0.144 4.671 4.527 0.000 0.000 0.296 73 F C 1.327 177.437 175.800 0.517 0.000 1.125 73 F CA -1.206 57.047 58.000 0.422 0.000 1.444 73 F CB -1.538 37.657 39.000 0.325 0.000 1.114 73 F HN -0.134 nan 8.300 nan 0.000 0.576 74 Y N 1.006 121.605 120.300 0.499 0.000 2.377 74 Y HA 0.411 4.961 4.550 0.000 0.000 0.330 74 Y C 1.287 177.445 175.900 0.430 0.000 1.108 74 Y CA 0.474 58.830 58.100 0.427 0.000 1.308 74 Y CB 0.200 38.829 38.460 0.282 0.000 1.216 74 Y HN 0.324 nan 8.280 nan 0.000 0.518 75 G N 4.864 113.569 108.800 -0.159 0.000 2.602 75 G HA2 -0.333 3.627 3.960 0.000 0.000 0.310 75 G HA3 -0.333 3.627 3.960 0.000 0.000 0.310 75 G C 0.476 175.567 174.900 0.318 0.000 1.183 75 G CA 0.735 45.854 45.100 0.031 0.000 0.979 75 G HN 0.575 nan 8.290 nan 0.000 0.545 76 M N 2.011 121.776 119.600 0.275 0.000 2.475 76 M HA 0.242 4.723 4.480 0.000 0.000 0.283 76 M C 1.472 177.899 176.300 0.211 0.000 1.165 76 M CA -0.145 55.290 55.300 0.225 0.000 0.976 76 M CB -0.117 32.586 32.600 0.171 0.000 1.428 76 M HN 0.406 nan 8.290 nan 0.000 0.495 77 N N 1.269 120.125 118.700 0.260 0.000 2.520 77 N HA -0.152 4.589 4.740 0.000 0.000 0.185 77 N C 1.542 177.149 175.510 0.161 0.000 1.068 77 N CA 0.684 53.868 53.050 0.224 0.000 0.911 77 N CB -0.019 38.628 38.487 0.266 0.000 0.961 77 N HN 0.547 nan 8.380 nan 0.000 0.446 78 E N 1.365 121.643 120.200 0.130 0.000 2.051 78 E HA -0.223 4.127 4.350 0.000 0.000 0.192 78 E C 2.093 178.724 176.600 0.051 0.000 0.991 78 E CA 1.790 58.216 56.400 0.043 0.000 0.799 78 E CB 0.030 29.714 29.700 -0.027 0.000 0.748 78 E HN 0.347 nan 8.360 nan 0.000 0.449 79 K N 1.421 121.867 120.400 0.077 0.000 2.152 79 K HA -0.163 4.157 4.320 0.000 0.000 0.206 79 K C 1.858 178.534 176.600 0.126 0.000 1.048 79 K CA 1.797 58.136 56.287 0.087 0.000 0.933 79 K CB -0.639 31.912 32.500 0.085 0.000 0.721 79 K HN 0.182 nan 8.250 nan 0.000 0.447 80 K N -0.249 120.239 120.400 0.147 0.000 2.418 80 K HA 0.183 4.503 4.320 0.000 0.000 0.195 80 K C 1.698 178.459 176.600 0.269 0.000 1.035 80 K CA 1.087 57.498 56.287 0.207 0.000 1.003 80 K CB 0.068 32.683 32.500 0.192 0.000 0.793 80 K HN 0.710 nan 8.250 nan 0.000 0.494 81 I N -2.921 117.736 120.570 0.145 0.000 4.082 81 I HA 0.090 4.260 4.170 0.000 0.000 0.337 81 I C 1.146 177.193 176.117 -0.116 0.000 1.352 81 I CA -0.185 61.116 61.300 0.001 0.000 1.097 81 I CB 0.375 38.374 38.000 -0.002 0.000 1.048 81 I HN -0.172 nan 8.210 nan 0.000 0.393 82 Q N 1.887 121.711 119.800 0.038 0.000 2.224 82 Q HA -0.122 4.218 4.340 0.000 0.000 0.203 82 Q C 1.929 177.982 176.000 0.088 0.000 0.970 82 Q CA 1.837 57.672 55.803 0.053 0.000 0.865 82 Q CB -0.463 28.334 28.738 0.098 0.000 0.922 82 Q HN 0.914 nan 8.270 nan 0.000 0.445 83 W N 0.135 121.497 121.300 0.103 0.000 2.331 83 W HA -0.141 4.519 4.660 0.000 0.000 0.291 83 W C 1.378 177.985 176.519 0.147 0.000 1.214 83 W CA 0.754 58.163 57.345 0.106 0.000 1.228 83 W CB -1.123 28.391 29.460 0.091 0.000 1.135 83 W HN -0.117 nan 8.180 nan 0.000 0.537 84 V N 2.737 122.387 119.914 -0.439 0.000 2.332 84 V HA -0.353 3.767 4.120 0.000 0.000 0.248 84 V C 2.742 178.892 176.094 0.093 0.000 1.055 84 V CA 2.752 64.793 62.300 -0.433 0.000 1.038 84 V CB -1.171 30.030 31.823 -1.037 0.000 0.651 84 V HN 0.353 nan 8.190 nan 0.000 0.450 85 E N 0.396 120.632 120.200 0.059 0.000 2.333 85 E HA -0.226 4.124 4.350 0.000 0.000 0.198 85 E C 1.421 178.118 176.600 0.161 0.000 1.007 85 E CA 1.455 57.922 56.400 0.111 0.000 0.845 85 E CB -0.302 29.427 29.700 0.048 0.000 0.766 85 E HN 0.631 nan 8.360 nan 0.000 0.507 86 N N 0.579 119.390 118.700 0.185 0.000 2.280 86 N HA 0.048 4.789 4.740 0.000 0.000 0.192 86 N C -0.233 175.351 175.510 0.124 0.000 1.109 86 N CA 0.320 53.467 53.050 0.161 0.000 0.855 86 N CB 0.433 39.019 38.487 0.165 0.000 0.974 86 N HN 0.192 nan 8.380 nan 0.000 0.482 87 E N 0.853 121.126 120.200 0.123 0.000 2.232 87 E HA 0.273 4.623 4.350 0.000 0.000 0.265 87 E C -0.585 175.836 176.600 -0.298 0.000 1.001 87 E CA -0.406 55.901 56.400 -0.154 0.000 0.870 87 E CB 1.241 30.712 29.700 -0.382 0.000 1.175 87 E HN -0.011 nan 8.360 nan 0.000 0.407 88 D N 0.258 120.383 120.400 -0.459 0.000 2.229 88 D HA 0.418 5.058 4.640 0.000 0.000 0.249 88 D C -0.653 175.163 176.300 -0.807 0.000 1.027 88 D CA -0.114 53.645 54.000 -0.400 0.000 0.923 88 D CB 0.693 41.330 40.800 -0.271 0.000 1.174 88 D HN 0.200 nan 8.370 nan 0.000 0.443 89 W N 0.350 121.557 121.300 -0.156 0.000 2.883 89 W HA 0.349 5.009 4.660 0.000 0.000 0.335 89 W C -0.054 176.474 176.519 0.015 0.000 1.083 89 W CA -0.736 56.588 57.345 -0.035 0.000 1.233 89 W CB 1.480 31.020 29.460 0.134 0.000 1.412 89 W HN 0.043 nan 8.180 nan 0.000 0.490 90 E N 1.872 122.175 120.200 0.172 0.000 2.183 90 E HA 0.446 4.796 4.350 0.000 0.000 0.271 90 E C -1.525 175.333 176.600 0.430 0.000 0.919 90 E CA -1.089 55.488 56.400 0.295 0.000 0.781 90 E CB 2.218 32.018 29.700 0.167 0.000 1.140 90 E HN 0.362 nan 8.360 nan 0.000 0.402 91 Y N 1.208 121.910 120.300 0.670 0.000 2.485 91 Y HA 0.460 5.011 4.550 0.000 0.000 0.345 91 Y C 0.066 176.335 175.900 0.615 0.000 0.998 91 Y CA -0.892 57.665 58.100 0.762 0.000 1.059 91 Y CB 1.904 40.823 38.460 0.766 0.000 1.234 91 Y HN 0.458 nan 8.280 nan 0.000 0.461 92 R N 0.410 121.244 120.500 0.556 0.000 2.707 92 R HA 0.845 5.185 4.340 0.000 0.000 0.272 92 R C -1.789 174.418 176.300 -0.154 0.000 1.011 92 R CA -0.832 55.207 56.100 -0.102 0.000 0.893 92 R CB 2.297 31.967 30.300 -1.050 0.000 1.233 92 R HN 0.605 nan 8.270 nan 0.000 0.464 93 T N 0.172 114.447 114.554 -0.465 0.000 2.843 93 T HA 0.553 4.903 4.350 0.000 0.000 0.302 93 T C -1.286 173.270 174.700 -0.240 0.000 1.232 93 T CA -0.375 61.397 62.100 -0.547 0.000 1.009 93 T CB 1.727 69.777 68.868 -1.364 0.000 1.254 93 T HN 0.835 nan 8.240 nan 0.000 0.504 94 S N 1.686 117.302 115.700 -0.140 0.000 2.638 94 S HA 0.975 5.445 4.470 0.000 0.000 0.302 94 S C -1.119 173.485 174.600 0.006 0.000 1.096 94 S CA -0.768 57.358 58.200 -0.123 0.000 0.953 94 S CB 1.522 64.632 63.200 -0.150 0.000 1.107 94 S HN 0.941 nan 8.310 nan 0.000 0.503 95 F N -1.013 118.837 119.950 -0.167 0.000 2.693 95 F HA 0.709 5.236 4.527 0.000 0.000 0.309 95 F C -1.597 174.154 175.800 -0.081 0.000 1.129 95 F CA -1.509 56.433 58.000 -0.097 0.000 0.948 95 F CB 0.791 39.755 39.000 -0.060 0.000 1.315 95 F HN 0.422 nan 8.300 nan 0.000 0.447 96 I N 3.154 123.786 120.570 0.103 0.000 2.385 96 I HA 0.575 4.745 4.170 0.000 0.000 0.294 96 I C -0.357 175.830 176.117 0.117 0.000 0.988 96 I CA -1.030 60.281 61.300 0.019 0.000 1.265 96 I CB 1.369 39.376 38.000 0.012 0.000 1.388 96 I HN 0.531 nan 8.210 nan 0.000 0.480 97 V N 4.798 124.745 119.914 0.054 0.000 2.604 97 V HA 0.427 4.548 4.120 0.000 0.000 0.305 97 V C 0.307 176.403 176.094 0.003 0.000 1.043 97 V CA -0.608 61.745 62.300 0.089 0.000 0.888 97 V CB 2.091 34.029 31.823 0.191 0.000 0.995 97 V HN 0.944 nan 8.190 nan 0.000 0.429 98 S N 2.264 117.935 115.700 -0.047 0.000 2.672 98 S HA 0.354 4.824 4.470 0.000 0.000 0.276 98 S C 0.931 175.507 174.600 -0.041 0.000 1.207 98 S CA -0.296 57.871 58.200 -0.055 0.000 1.002 98 S CB 1.543 64.692 63.200 -0.086 0.000 0.998 98 S HN 0.808 nan 8.310 nan 0.000 0.542 99 E N 0.614 120.795 120.200 -0.032 0.000 2.097 99 E HA -0.246 4.104 4.350 0.000 0.000 0.196 99 E C 1.478 178.061 176.600 -0.029 0.000 1.000 99 E CA 1.770 58.157 56.400 -0.022 0.000 0.804 99 E CB -0.158 29.530 29.700 -0.020 0.000 0.740 99 E HN 0.795 nan 8.360 nan 0.000 0.454 100 E N 0.423 120.593 120.200 -0.051 0.000 2.051 100 E HA -0.190 4.160 4.350 0.000 0.000 0.192 100 E C 2.150 178.704 176.600 -0.075 0.000 0.991 100 E CA 1.281 57.646 56.400 -0.058 0.000 0.799 100 E CB -0.094 29.563 29.700 -0.073 0.000 0.748 100 E HN 0.287 nan 8.360 nan 0.000 0.449 101 Q N -0.015 119.698 119.800 -0.145 0.000 2.084 101 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 101 Q C 2.159 178.188 176.000 0.047 0.000 0.978 101 Q CA 0.982 56.649 55.803 -0.227 0.000 0.844 101 Q CB -0.151 28.239 28.738 -0.580 0.000 0.898 101 Q HN 0.294 nan 8.270 nan 0.000 0.426 102 L N 0.843 122.098 121.223 0.053 0.000 2.353 102 L HA -0.145 4.195 4.340 0.000 0.000 0.220 102 L C 1.435 178.333 176.870 0.047 0.000 1.133 102 L CA 0.408 55.297 54.840 0.082 0.000 0.798 102 L CB -0.192 41.899 42.059 0.054 0.000 0.922 102 L HN 0.270 nan 8.230 nan 0.000 0.445 103 N N -0.430 118.283 118.700 0.021 0.000 2.336 103 N HA 0.017 4.757 4.740 0.000 0.000 0.189 103 N C 0.299 175.810 175.510 0.000 0.000 1.113 103 N CA 0.130 53.184 53.050 0.006 0.000 0.858 103 N CB 0.288 38.772 38.487 -0.005 0.000 0.970 103 N HN 0.137 nan 8.380 nan 0.000 0.471 104 R N 1.222 121.734 120.500 0.019 0.000 2.694 104 R HA 0.023 4.363 4.340 0.000 0.000 0.268 104 R C 0.816 177.066 176.300 -0.084 0.000 1.061 104 R CA -0.140 55.954 56.100 -0.011 0.000 1.133 104 R CB 0.327 30.659 30.300 0.053 0.000 1.020 104 R HN 0.056 nan 8.270 nan 0.000 0.475 105 D N 0.456 120.768 120.400 -0.146 0.000 2.158 105 D HA -0.073 4.567 4.640 0.000 0.000 0.197 105 D C 0.844 176.956 176.300 -0.314 0.000 0.995 105 D CA 1.624 55.511 54.000 -0.188 0.000 0.846 105 D CB 0.121 40.820 40.800 -0.169 0.000 0.941 105 D HN 0.661 nan 8.370 nan 0.000 0.456 106 G N -0.698 107.723 108.800 -0.631 0.000 2.719 106 G HA2 0.612 4.572 3.960 0.000 0.000 0.298 106 G HA3 0.612 4.572 3.960 0.000 0.000 0.298 106 G C -1.232 173.308 174.900 -0.600 0.000 1.411 106 G CA -0.614 44.008 45.100 -0.795 0.000 0.991 106 G HN 0.020 nan 8.290 nan 0.000 0.509 107 I N 0.792 121.238 120.570 -0.206 0.000 2.512 107 I HA 0.365 4.535 4.170 0.000 0.000 0.287 107 I C -0.541 175.545 176.117 -0.052 0.000 1.069 107 I CA -0.617 60.584 61.300 -0.165 0.000 1.056 107 I CB 2.431 40.290 38.000 -0.235 0.000 1.229 107 I HN 0.305 nan 8.210 nan 0.000 0.429 108 Q N 4.689 124.462 119.800 -0.045 0.000 2.337 108 Q HA 0.605 4.945 4.340 0.000 0.000 0.266 108 Q C -1.338 174.586 176.000 -0.127 0.000 1.023 108 Q CA -0.988 54.801 55.803 -0.022 0.000 0.829 108 Q CB 3.394 32.142 28.738 0.017 0.000 1.306 108 Q HN 0.439 nan 8.270 nan 0.000 0.449 109 L N 3.882 125.051 121.223 -0.091 0.000 2.287 109 L HA 0.535 4.875 4.340 0.000 0.000 0.287 109 L C -1.492 175.285 176.870 -0.155 0.000 1.022 109 L CA -0.052 54.688 54.840 -0.167 0.000 0.814 109 L CB 0.883 42.874 42.059 -0.113 0.000 1.217 109 L HN 0.549 nan 8.230 nan 0.000 0.420 110 I N 5.445 125.870 120.570 -0.240 0.000 2.406 110 I HA 0.342 4.512 4.170 0.000 0.000 0.290 110 I C -1.082 174.897 176.117 -0.230 0.000 0.999 110 I CA -0.273 60.950 61.300 -0.128 0.000 1.124 110 I CB 1.317 39.272 38.000 -0.075 0.000 1.289 110 I HN 0.420 nan 8.210 nan 0.000 0.441 111 F N 4.606 124.608 119.950 0.087 0.000 2.375 111 F HA 0.326 4.853 4.527 0.001 0.000 0.361 111 F C 1.332 177.157 175.800 0.042 0.000 1.117 111 F CA -0.440 57.616 58.000 0.092 0.000 1.037 111 F CB 1.270 40.374 39.000 0.173 0.000 1.192 111 F HN 0.509 nan 8.300 nan 0.000 0.452 112 E N 2.106 122.371 120.200 0.109 0.000 2.418 112 E HA 0.151 4.501 4.350 0.000 0.000 0.197 112 E C 0.740 177.284 176.600 -0.095 0.000 1.026 112 E CA 0.247 56.645 56.400 -0.004 0.000 0.862 112 E CB 0.310 29.975 29.700 -0.059 0.000 0.799 112 E HN 0.728 nan 8.360 nan 0.000 0.518 113 G N 0.561 109.341 108.800 -0.033 0.000 2.657 113 G HA2 0.433 4.393 3.960 0.000 0.000 0.303 113 G HA3 0.433 4.393 3.960 0.000 0.000 0.303 113 G C -1.562 173.518 174.900 0.301 0.000 1.457 113 G CA -0.815 44.286 45.100 0.002 0.000 0.982 113 G HN -0.038 nan 8.290 nan 0.000 0.583 114 L N 2.162 123.672 121.223 0.478 0.000 2.376 114 L HA 0.481 4.821 4.340 0.000 0.000 0.275 114 L C -1.175 175.912 176.870 0.361 0.000 0.987 114 L CA -0.892 54.200 54.840 0.421 0.000 0.828 114 L CB 2.439 44.590 42.059 0.154 0.000 1.249 114 L HN 0.512 nan 8.230 nan 0.000 0.409 115 D N 1.717 122.281 120.400 0.272 0.000 2.472 115 D HA 0.383 5.023 4.640 0.000 0.000 0.234 115 D C 0.031 176.384 176.300 0.088 0.000 1.088 115 D CA -0.083 53.878 54.000 -0.065 0.000 0.882 115 D CB 1.446 42.034 40.800 -0.353 0.000 1.037 115 D HN 0.509 nan 8.370 nan 0.000 0.520 116 T N 2.158 116.813 114.554 0.168 0.000 3.545 116 T HA 0.061 4.411 4.350 0.000 0.000 0.274 116 T C -0.191 174.431 174.700 -0.130 0.000 0.989 116 T CA 0.069 62.107 62.100 -0.104 0.000 1.129 116 T CB -0.125 68.511 68.868 -0.386 0.000 1.165 116 T HN 0.206 nan 8.240 nan 0.000 0.436 117 Y N 2.820 123.253 120.300 0.221 0.000 2.627 117 Y HA 0.679 5.229 4.550 0.000 0.000 0.347 117 Y C 0.245 176.291 175.900 0.243 0.000 1.099 117 Y CA -1.171 57.043 58.100 0.190 0.000 1.408 117 Y CB -0.037 38.540 38.460 0.196 0.000 1.247 117 Y HN 0.228 nan 8.280 nan 0.000 0.506 118 A N 2.618 125.501 122.820 0.104 0.000 2.335 118 A HA 0.569 4.889 4.320 0.000 0.000 0.304 118 A C -1.047 176.431 177.584 -0.177 0.000 1.118 118 A CA -0.937 50.953 52.037 -0.245 0.000 0.757 118 A CB 0.655 19.230 19.000 -0.708 0.000 1.188 118 A HN 0.465 nan 8.150 nan 0.000 0.460 119 D N 2.039 122.402 120.400 -0.061 0.000 2.274 119 D HA 0.406 5.046 4.640 0.000 0.000 0.239 119 D C -0.540 175.565 176.300 -0.325 0.000 1.104 119 D CA 0.111 54.005 54.000 -0.176 0.000 0.840 119 D CB 1.825 42.623 40.800 -0.003 0.000 1.100 119 D HN 0.148 nan 8.370 nan 0.000 0.477 120 V N 3.852 123.494 119.914 -0.453 0.000 2.347 120 V HA 0.251 4.371 4.120 0.000 0.000 0.280 120 V C -0.806 175.102 176.094 -0.310 0.000 1.021 120 V CA -0.637 61.503 62.300 -0.267 0.000 0.847 120 V CB 0.248 31.925 31.823 -0.244 0.000 0.990 120 V HN 0.357 nan 8.190 nan 0.000 0.444 121 Y N 5.207 125.618 120.300 0.185 0.000 2.341 121 Y HA 0.714 5.264 4.550 0.000 0.000 0.338 121 Y C -0.309 175.730 175.900 0.232 0.000 0.965 121 Y CA -0.947 57.260 58.100 0.177 0.000 1.108 121 Y CB 1.919 40.477 38.460 0.163 0.000 1.180 121 Y HN 0.507 nan 8.280 nan 0.000 0.458 122 L N 4.778 126.195 121.223 0.324 0.000 2.372 122 L HA 0.532 4.872 4.340 0.000 0.000 0.274 122 L C -0.519 176.473 176.870 0.204 0.000 0.988 122 L CA -0.644 54.363 54.840 0.279 0.000 0.833 122 L CB 0.970 43.181 42.059 0.254 0.000 1.236 122 L HN 0.727 nan 8.230 nan 0.000 0.410 123 N N 4.233 123.042 118.700 0.182 0.000 2.727 123 N HA -0.203 4.537 4.740 0.000 0.000 0.249 123 N C 0.984 176.551 175.510 0.095 0.000 1.048 123 N CA 1.384 54.506 53.050 0.120 0.000 0.714 123 N CB -1.259 37.274 38.487 0.076 0.000 0.959 123 N HN 1.279 nan 8.380 nan 0.000 0.544 124 G N -1.742 107.116 108.800 0.097 0.000 2.168 124 G HA2 -0.315 3.645 3.960 0.000 0.000 0.263 124 G HA3 -0.315 3.645 3.960 0.000 0.000 0.263 124 G C 0.035 175.008 174.900 0.121 0.000 0.977 124 G CA 0.748 45.889 45.100 0.069 0.000 0.659 124 G HN 0.917 nan 8.290 nan 0.000 0.533 125 S N -0.439 115.359 115.700 0.163 0.000 2.462 125 S HA 0.638 5.108 4.470 0.000 0.000 0.294 125 S C 0.073 174.793 174.600 0.200 0.000 1.144 125 S CA -0.649 57.643 58.200 0.153 0.000 1.088 125 S CB 1.094 64.360 63.200 0.110 0.000 1.009 125 S HN 1.243 nan 8.310 nan 0.000 0.484 126 L N 7.252 128.569 121.223 0.156 0.000 2.342 126 L HA 0.375 4.716 4.340 0.000 0.000 0.285 126 L C 0.449 177.278 176.870 -0.068 0.000 1.095 126 L CA 0.380 55.195 54.840 -0.042 0.000 0.843 126 L CB -0.112 41.927 42.059 -0.033 0.000 1.201 126 L HN 0.845 nan 8.230 nan 0.000 0.445 127 L N 4.790 125.959 121.223 -0.090 0.000 2.270 127 L HA 0.179 4.519 4.340 0.000 0.000 0.210 127 L C -0.050 176.774 176.870 -0.076 0.000 1.104 127 L CA 0.285 55.108 54.840 -0.028 0.000 0.804 127 L CB -0.084 42.004 42.059 0.048 0.000 0.937 127 L HN 0.590 nan 8.230 nan 0.000 0.450 128 L N -0.401 120.719 121.223 -0.171 0.000 2.666 128 L HA 0.298 4.638 4.340 0.000 0.000 0.259 128 L C -1.458 175.249 176.870 -0.271 0.000 0.919 128 L CA -0.433 54.273 54.840 -0.223 0.000 0.927 128 L CB 1.574 43.448 42.059 -0.309 0.000 1.423 128 L HN -0.111 nan 8.230 nan 0.000 0.426 129 K N 4.468 124.744 120.400 -0.207 0.000 2.354 129 K HA 0.771 5.091 4.320 0.000 0.000 0.257 129 K C -0.280 176.211 176.600 -0.181 0.000 1.062 129 K CA -0.347 55.845 56.287 -0.158 0.000 0.971 129 K CB 1.392 33.848 32.500 -0.073 0.000 1.305 129 K HN 0.700 nan 8.250 nan 0.000 0.449 130 A N 2.528 125.177 122.820 -0.284 0.000 2.371 130 A HA 0.186 4.506 4.320 0.000 0.000 0.257 130 A C 0.181 177.729 177.584 -0.059 0.000 1.089 130 A CA -0.237 51.594 52.037 -0.343 0.000 0.794 130 A CB 0.225 18.922 19.000 -0.505 0.000 1.029 130 A HN 0.836 nan 8.150 nan 0.000 0.488 131 D N -0.098 120.320 120.400 0.031 0.000 2.672 131 D HA 0.086 4.726 4.640 0.000 0.000 0.287 131 D C -0.714 175.531 176.300 -0.091 0.000 1.559 131 D CA -0.263 53.716 54.000 -0.036 0.000 0.796 131 D CB -0.310 40.574 40.800 0.141 0.000 1.181 131 D HN 0.270 nan 8.370 nan 0.000 0.458 132 N N 1.039 119.731 118.700 -0.012 0.000 2.572 132 N HA 0.139 4.879 4.740 0.000 0.000 0.287 132 N C 0.273 175.728 175.510 -0.092 0.000 1.136 132 N CA -0.300 52.709 53.050 -0.069 0.000 0.900 132 N CB 1.682 40.173 38.487 0.007 0.000 1.484 132 N HN 0.031 nan 8.380 nan 0.000 0.526 133 M N 2.592 121.992 119.600 -0.334 0.000 2.267 133 M HA -0.031 4.450 4.480 0.000 0.000 0.263 133 M C -0.062 176.239 176.300 0.002 0.000 1.063 133 M CA 1.723 56.837 55.300 -0.311 0.000 1.090 133 M CB 0.005 32.105 32.600 -0.834 0.000 1.392 133 M HN 0.396 nan 8.290 nan 0.000 0.422 134 F N -0.497 119.574 119.950 0.203 0.000 2.732 134 F HA 0.243 4.770 4.527 0.000 0.000 0.303 134 F C 0.216 176.040 175.800 0.041 0.000 1.110 134 F CA -0.268 57.902 58.000 0.284 0.000 1.355 134 F CB -0.520 38.701 39.000 0.368 0.000 1.081 134 F HN -0.212 nan 8.300 nan 0.000 0.565 135 V N -0.315 119.527 119.914 -0.119 0.000 2.555 135 V HA 0.727 4.847 4.120 0.000 0.000 0.302 135 V C 0.516 175.938 176.094 -1.121 0.000 1.038 135 V CA -1.097 60.736 62.300 -0.778 0.000 0.887 135 V CB 1.442 32.839 31.823 -0.711 0.000 0.991 135 V HN 0.163 nan 8.190 nan 0.000 0.434 136 G N 2.638 110.356 108.800 -1.803 0.000 2.400 136 G HA2 0.590 4.550 3.960 0.000 0.000 0.301 136 G HA3 0.590 4.550 3.960 0.000 0.000 0.301 136 G C -1.547 172.933 174.900 -0.699 0.000 1.154 136 G CA -0.182 44.406 45.100 -0.854 0.000 0.852 136 G HN 0.506 nan 8.290 nan 0.000 0.511 137 Y N -0.184 120.082 120.300 -0.057 0.000 2.409 137 Y HA 0.532 5.082 4.550 0.000 0.000 0.343 137 Y C 0.505 176.453 175.900 0.079 0.000 0.973 137 Y CA -0.652 57.459 58.100 0.018 0.000 1.064 137 Y CB 2.857 41.364 38.460 0.078 0.000 1.207 137 Y HN 0.405 nan 8.280 nan 0.000 0.452 138 T N 5.051 119.725 114.554 0.201 0.000 2.809 138 T HA 0.600 4.950 4.350 0.000 0.000 0.284 138 T C -0.847 173.928 174.700 0.125 0.000 0.992 138 T CA -0.621 61.554 62.100 0.126 0.000 0.957 138 T CB 0.272 69.181 68.868 0.070 0.000 0.942 138 T HN 0.367 nan 8.240 nan 0.000 0.439 139 L N 5.939 127.228 121.223 0.111 0.000 2.349 139 L HA 0.468 4.808 4.340 0.000 0.000 0.278 139 L C -2.277 174.635 176.870 0.071 0.000 0.996 139 L CA -2.436 52.466 54.840 0.104 0.000 0.825 139 L CB 2.147 44.290 42.059 0.139 0.000 1.243 139 L HN 0.335 nan 8.230 nan 0.000 0.412 140 P HA 0.068 nan 4.420 nan 0.000 0.276 140 P C 0.212 177.544 177.300 0.052 0.000 1.243 140 P CA -0.114 63.025 63.100 0.065 0.000 0.768 140 P CB 1.664 33.404 31.700 0.067 0.000 0.856 141 V N 0.563 120.498 119.914 0.035 0.000 3.382 141 V HA 0.187 4.307 4.120 0.000 0.000 0.296 141 V C 1.969 178.086 176.094 0.040 0.000 1.529 141 V CA 0.091 62.418 62.300 0.046 0.000 1.048 141 V CB -0.442 31.416 31.823 0.058 0.000 0.878 141 V HN 0.345 nan 8.190 nan 0.000 0.442 142 K N 2.658 123.069 120.400 0.018 0.000 2.044 142 K HA -0.223 4.097 4.320 0.000 0.000 0.210 142 K C 2.159 178.781 176.600 0.037 0.000 1.049 142 K CA 2.493 58.793 56.287 0.021 0.000 0.927 142 K CB -0.208 32.286 32.500 -0.009 0.000 0.713 142 K HN 0.746 nan 8.250 nan 0.000 0.443 143 S N -0.076 115.643 115.700 0.032 0.000 2.561 143 S HA -0.050 4.420 4.470 0.000 0.000 0.225 143 S C 1.728 176.353 174.600 0.041 0.000 0.977 143 S CA 0.639 58.858 58.200 0.032 0.000 0.926 143 S CB 0.172 63.388 63.200 0.027 0.000 0.769 143 S HN 0.302 nan 8.310 nan 0.000 0.533 144 V N -1.239 118.707 119.914 0.053 0.000 3.650 144 V HA 0.468 4.588 4.120 0.000 0.000 0.271 144 V C 0.534 176.665 176.094 0.062 0.000 1.281 144 V CA -0.302 62.034 62.300 0.060 0.000 1.120 144 V CB -0.637 31.231 31.823 0.075 0.000 0.856 144 V HN 0.411 nan 8.190 nan 0.000 0.443 145 L N 1.512 122.777 121.223 0.070 0.000 2.453 145 L HA 0.496 4.836 4.340 0.000 0.000 0.261 145 L C 0.496 177.388 176.870 0.037 0.000 1.179 145 L CA -0.149 54.735 54.840 0.072 0.000 0.813 145 L CB 0.786 42.925 42.059 0.133 0.000 1.110 145 L HN 0.261 nan 8.230 nan 0.000 0.466 146 R N 0.898 121.398 120.500 -0.000 0.000 2.750 146 R HA 0.365 4.705 4.340 0.000 0.000 0.281 146 R C -0.964 175.324 176.300 -0.020 0.000 0.972 146 R CA -1.070 55.022 56.100 -0.014 0.000 0.912 146 R CB 1.994 32.273 30.300 -0.035 0.000 1.187 146 R HN 0.361 nan 8.270 nan 0.000 0.464 147 K N 1.076 121.470 120.400 -0.011 0.000 2.401 147 K HA 0.262 4.582 4.320 0.000 0.000 0.278 147 K C 0.461 177.038 176.600 -0.039 0.000 1.018 147 K CA 1.300 57.578 56.287 -0.015 0.000 0.981 147 K CB 0.456 32.950 32.500 -0.010 0.000 0.933 147 K HN 0.734 nan 8.250 nan 0.000 0.477 148 G N 2.894 111.665 108.800 -0.048 0.000 2.481 148 G HA2 -0.263 3.697 3.960 0.000 0.000 0.230 148 G HA3 -0.263 3.697 3.960 0.000 0.000 0.230 148 G C -0.878 173.941 174.900 -0.135 0.000 1.210 148 G CA -0.200 44.859 45.100 -0.069 0.000 0.936 148 G HN 0.669 nan 8.290 nan 0.000 0.583 149 E N 1.383 121.482 120.200 -0.168 0.000 2.373 149 E HA 0.503 4.853 4.350 0.000 0.000 0.267 149 E C 0.209 176.510 176.600 -0.499 0.000 1.032 149 E CA -0.056 56.151 56.400 -0.322 0.000 0.889 149 E CB 0.367 29.906 29.700 -0.269 0.000 0.984 149 E HN 0.483 nan 8.360 nan 0.000 0.425 150 N N 2.298 120.509 118.700 -0.815 0.000 2.225 150 N HA 0.288 5.028 4.740 0.000 0.000 0.298 150 N C -1.295 173.622 175.510 -0.989 0.000 1.076 150 N CA -0.663 51.847 53.050 -0.900 0.000 0.792 150 N CB 1.357 39.111 38.487 -1.220 0.000 1.498 150 N HN 0.453 nan 8.380 nan 0.000 0.474 151 H N 1.465 120.414 119.070 -0.203 0.000 2.589 151 H HA 0.318 4.875 4.556 0.000 0.000 0.335 151 H C -0.833 174.595 175.328 0.167 0.000 1.019 151 H CA -0.574 55.472 56.048 -0.003 0.000 1.213 151 H CB 2.439 32.262 29.762 0.101 0.000 1.472 151 H HN 0.322 nan 8.280 nan 0.000 0.508 152 L N 4.432 125.833 121.223 0.297 0.000 2.305 152 L HA 0.383 4.723 4.340 0.000 0.000 0.284 152 L C -1.621 175.475 176.870 0.377 0.000 1.013 152 L CA -0.515 54.544 54.840 0.365 0.000 0.819 152 L CB 0.597 42.850 42.059 0.323 0.000 1.227 152 L HN 0.465 nan 8.230 nan 0.000 0.417 153 Y N 5.061 125.571 120.300 0.350 0.000 2.425 153 Y HA 0.674 5.224 4.550 0.000 0.000 0.344 153 Y C -0.353 175.840 175.900 0.489 0.000 0.969 153 Y CA -0.701 57.646 58.100 0.412 0.000 1.052 153 Y CB 2.157 40.823 38.460 0.342 0.000 1.215 153 Y HN 0.416 nan 8.280 nan 0.000 0.451 154 I N 3.644 124.589 120.570 0.626 0.000 2.499 154 I HA 0.199 4.369 4.170 0.000 0.000 0.288 154 I C -1.491 174.850 176.117 0.374 0.000 1.048 154 I CA -0.963 60.566 61.300 0.383 0.000 1.062 154 I CB 2.002 40.130 38.000 0.212 0.000 1.238 154 I HN 0.547 nan 8.210 nan 0.000 0.426 155 Y N 6.388 126.762 120.300 0.122 0.000 2.353 155 Y HA 0.474 5.024 4.550 0.000 0.000 0.340 155 Y C -1.009 174.800 175.900 -0.151 0.000 0.972 155 Y CA -0.494 57.666 58.100 0.100 0.000 1.157 155 Y CB 0.776 39.303 38.460 0.113 0.000 1.157 155 Y HN 0.336 nan 8.280 nan 0.000 0.495 156 F N 5.432 125.400 119.950 0.030 0.000 2.350 156 F HA 0.245 4.772 4.527 0.000 0.000 0.365 156 F C 0.409 176.251 175.800 0.070 0.000 1.122 156 F CA -0.573 57.513 58.000 0.143 0.000 1.139 156 F CB 0.228 39.352 39.000 0.207 0.000 1.220 156 F HN 0.439 nan 8.300 nan 0.000 0.499 157 H N 1.435 120.786 119.070 0.468 0.000 2.886 157 H HA -0.024 4.532 4.556 0.000 0.000 0.329 157 H C 0.591 176.131 175.328 0.353 0.000 1.044 157 H CA -0.212 56.080 56.048 0.406 0.000 1.456 157 H CB 1.216 31.179 29.762 0.335 0.000 1.464 157 H HN 0.524 nan 8.280 nan 0.000 0.573 158 S N 5.042 120.956 115.700 0.357 0.000 2.784 158 S HA -0.055 4.415 4.470 0.000 0.000 0.322 158 S C -1.030 173.745 174.600 0.291 0.000 1.234 158 S CA -1.145 57.227 58.200 0.288 0.000 1.064 158 S CB 0.389 63.706 63.200 0.194 0.000 0.787 158 S HN 0.557 nan 8.310 nan 0.000 0.506 159 P HA -0.090 nan 4.420 nan 0.000 0.223 159 P C 1.413 178.866 177.300 0.256 0.000 1.151 159 P CA 0.689 64.029 63.100 0.401 0.000 0.787 159 P CB -0.009 31.912 31.700 0.368 0.000 0.788 160 I N 0.557 121.230 120.570 0.172 0.000 2.162 160 I HA -0.097 4.073 4.170 0.000 0.000 0.238 160 I C 2.659 178.812 176.117 0.059 0.000 1.076 160 I CA 1.280 62.639 61.300 0.099 0.000 1.353 160 I CB -1.490 36.547 38.000 0.063 0.000 1.063 160 I HN -0.018 nan 8.210 nan 0.000 0.408 161 R N 0.538 121.083 120.500 0.075 0.000 2.148 161 R HA -0.197 4.143 4.340 0.000 0.000 0.227 161 R C 2.194 178.499 176.300 0.008 0.000 1.103 161 R CA 1.018 57.149 56.100 0.051 0.000 0.983 161 R CB -0.342 30.006 30.300 0.079 0.000 0.874 161 R HN 0.386 nan 8.270 nan 0.000 0.451 162 Q N 0.715 120.506 119.800 -0.015 0.000 2.135 162 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 162 Q C 1.473 177.351 176.000 -0.205 0.000 0.981 162 Q CA 2.246 57.937 55.803 -0.186 0.000 0.856 162 Q CB 0.081 28.541 28.738 -0.464 0.000 0.902 162 Q HN 0.390 nan 8.270 nan 0.000 0.425 163 T N -2.750 111.741 114.554 -0.105 0.000 3.054 163 T HA 0.228 4.578 4.350 0.000 0.000 0.255 163 T C 1.562 176.204 174.700 -0.097 0.000 1.035 163 T CA -0.167 61.870 62.100 -0.104 0.000 0.941 163 T CB -0.016 68.886 68.868 0.058 0.000 1.026 163 T HN 0.175 nan 8.240 nan 0.000 0.533 164 L N 1.330 122.526 121.223 -0.046 0.000 2.012 164 L HA -0.018 4.322 4.340 0.000 0.000 0.210 164 L C -0.290 176.578 176.870 -0.003 0.000 1.073 164 L CA 1.549 56.388 54.840 -0.001 0.000 0.748 164 L CB -1.420 40.645 42.059 0.009 0.000 0.891 164 L HN 0.229 nan 8.230 nan 0.000 0.431 165 P HA -0.185 nan 4.420 nan 0.000 0.219 165 P C 1.454 178.664 177.300 -0.150 0.000 1.150 165 P CA 1.236 64.288 63.100 -0.080 0.000 0.814 165 P CB 0.029 31.678 31.700 -0.085 0.000 0.787 166 Q N -1.077 118.579 119.800 -0.241 0.000 2.050 166 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 166 Q C 2.304 177.959 176.000 -0.575 0.000 0.980 166 Q CA 1.421 56.964 55.803 -0.434 0.000 0.840 166 Q CB -0.612 27.764 28.738 -0.603 0.000 0.898 166 Q HN 0.146 nan 8.270 nan 0.000 0.424 167 Y N 0.185 120.114 120.300 -0.618 0.000 2.145 167 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 167 Y C 2.027 177.820 175.900 -0.178 0.000 1.145 167 Y CA 1.658 59.540 58.100 -0.362 0.000 1.148 167 Y CB -0.616 37.771 38.460 -0.122 0.000 0.981 167 Y HN 0.193 nan 8.280 nan 0.000 0.507 168 A N -0.042 122.692 122.820 -0.142 0.000 1.917 168 A HA -0.270 4.050 4.320 0.000 0.000 0.219 168 A C 2.429 179.885 177.584 -0.215 0.000 1.182 168 A CA 2.531 54.472 52.037 -0.161 0.000 0.633 168 A CB -1.460 17.524 19.000 -0.026 0.000 0.819 168 A HN 0.645 nan 8.150 nan 0.000 0.448 169 S N -0.474 115.103 115.700 -0.206 0.000 2.515 169 S HA -0.106 4.364 4.470 0.000 0.000 0.231 169 S C 1.552 176.040 174.600 -0.187 0.000 0.987 169 S CA 1.207 59.307 58.200 -0.166 0.000 0.936 169 S CB -0.527 62.589 63.200 -0.139 0.000 0.766 169 S HN 0.595 nan 8.310 nan 0.000 0.528 170 N N 1.518 120.045 118.700 -0.288 0.000 2.300 170 N HA 0.128 4.868 4.740 0.000 0.000 0.179 170 N C 1.390 176.714 175.510 -0.309 0.000 1.016 170 N CA 1.237 54.100 53.050 -0.312 0.000 0.876 170 N CB -0.451 37.819 38.487 -0.362 0.000 0.979 170 N HN 0.600 nan 8.380 nan 0.000 0.432 171 G N -1.125 107.507 108.800 -0.279 0.000 2.162 171 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 171 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 171 G C -0.026 174.911 174.900 0.062 0.000 0.976 171 G CA 0.863 45.907 45.100 -0.094 0.000 0.655 171 G HN 0.603 nan 8.290 nan 0.000 0.533 172 F N -2.434 117.447 119.950 -0.116 0.000 2.770 172 F HA 0.714 5.241 4.527 0.000 0.000 0.313 172 F C -1.131 174.667 175.800 -0.003 0.000 1.154 172 F CA -1.838 56.146 58.000 -0.027 0.000 0.923 172 F CB 0.666 39.693 39.000 0.046 0.000 1.301 172 F HN 0.018 nan 8.300 nan 0.000 0.449 173 N N 1.182 120.102 118.700 0.367 0.000 2.425 173 N HA 0.325 5.065 4.740 0.000 0.000 0.268 173 N C -1.440 174.381 175.510 0.518 0.000 0.991 173 N CA -0.490 52.812 53.050 0.420 0.000 0.931 173 N CB 0.538 39.238 38.487 0.355 0.000 1.130 173 N HN 0.649 nan 8.380 nan 0.000 0.493 174 Y N 3.065 123.567 120.300 0.337 0.000 2.578 174 Y HA 0.123 4.674 4.550 0.000 0.000 0.339 174 Y C -1.212 174.852 175.900 0.272 0.000 1.231 174 Y CA -0.945 57.281 58.100 0.211 0.000 1.461 174 Y CB 0.697 39.098 38.460 -0.098 0.000 1.323 174 Y HN 0.486 nan 8.280 nan 0.000 0.590 175 P HA 0.159 nan 4.420 nan 0.000 0.214 175 P C -1.039 176.272 177.300 0.017 0.000 1.826 175 P CA -0.032 63.167 63.100 0.164 0.000 0.977 175 P CB -0.262 31.389 31.700 -0.081 0.000 1.930 176 A N 1.783 124.496 122.820 -0.179 0.000 2.798 176 A HA 0.188 4.508 4.320 0.000 0.000 0.316 176 A C 1.098 178.274 177.584 -0.680 0.000 1.506 176 A CA -0.337 51.479 52.037 -0.370 0.000 1.162 176 A CB -0.300 18.484 19.000 -0.360 0.000 1.138 176 A HN 0.135 nan 8.150 nan 0.000 0.532 177 D N 1.026 121.215 120.400 -0.351 0.000 2.264 177 D HA -0.108 4.532 4.640 0.000 0.000 0.208 177 D C 0.830 176.970 176.300 -0.267 0.000 0.966 177 D CA 0.794 54.636 54.000 -0.263 0.000 0.864 177 D CB 0.184 40.921 40.800 -0.106 0.000 0.933 177 D HN 0.539 nan 8.370 nan 0.000 0.499 178 N N 1.120 119.532 118.700 -0.479 0.000 2.461 178 N HA -0.079 4.661 4.740 0.000 0.000 0.188 178 N C 0.134 175.352 175.510 -0.485 0.000 1.134 178 N CA 0.289 52.948 53.050 -0.651 0.000 0.878 178 N CB 0.331 37.820 38.487 -1.665 0.000 0.972 178 N HN 0.122 nan 8.380 nan 0.000 0.456 179 D N 0.752 120.978 120.400 -0.290 0.000 2.393 179 D HA 0.021 4.661 4.640 0.000 0.000 0.232 179 D C -0.368 176.034 176.300 0.170 0.000 1.192 179 D CA -0.204 53.749 54.000 -0.078 0.000 0.882 179 D CB -0.114 40.615 40.800 -0.117 0.000 1.038 179 D HN 0.241 nan 8.370 nan 0.000 0.499 180 H N 4.247 123.387 119.070 0.117 0.000 2.970 180 H HA 0.126 4.682 4.556 0.000 0.000 0.226 180 H C -0.033 175.405 175.328 0.184 0.000 1.909 180 H CA -0.206 55.901 56.048 0.100 0.000 1.388 180 H CB 0.068 29.844 29.762 0.023 0.000 1.773 180 H HN 0.329 nan 8.280 nan 0.000 0.559 181 H N 0.678 119.890 119.070 0.237 0.000 3.064 181 H HA -0.013 4.543 4.556 0.000 0.000 0.352 181 H C 0.616 175.988 175.328 0.073 0.000 1.260 181 H CA -0.495 55.636 56.048 0.138 0.000 1.160 181 H CB 1.630 31.473 29.762 0.135 0.000 1.879 181 H HN 0.498 nan 8.280 nan 0.000 0.544 182 E N 2.393 122.549 120.200 -0.074 0.000 2.097 182 E HA -0.128 4.222 4.350 0.000 0.000 0.196 182 E C -0.450 176.115 176.600 -0.060 0.000 1.000 182 E CA 1.134 57.512 56.400 -0.037 0.000 0.804 182 E CB 0.253 29.895 29.700 -0.095 0.000 0.740 182 E HN 0.369 nan 8.360 nan 0.000 0.454 183 K N 0.202 120.715 120.400 0.188 0.000 2.235 183 K HA 0.249 4.569 4.320 0.000 0.000 0.266 183 K C -1.206 175.270 176.600 -0.206 0.000 0.980 183 K CA -0.346 55.739 56.287 -0.337 0.000 0.849 183 K CB 1.216 33.301 32.500 -0.692 0.000 1.098 183 K HN 0.183 nan 8.250 nan 0.000 0.445 184 H N 3.680 122.738 119.070 -0.020 0.000 2.882 184 H HA 0.107 4.663 4.556 0.000 0.000 0.258 184 H C 0.767 176.076 175.328 -0.032 0.000 1.579 184 H CA -0.363 55.683 56.048 -0.003 0.000 1.340 184 H CB 0.206 29.996 29.762 0.046 0.000 1.645 184 H HN 0.371 nan 8.280 nan 0.000 0.541 185 L N 1.043 122.285 121.223 0.033 0.000 2.418 185 L HA -0.098 4.242 4.340 0.000 0.000 0.218 185 L C 2.397 179.234 176.870 -0.055 0.000 1.125 185 L CA 0.478 55.403 54.840 0.142 0.000 0.835 185 L CB -0.181 41.939 42.059 0.103 0.000 0.953 185 L HN 0.575 nan 8.230 nan 0.000 0.454 186 S N 0.614 115.969 115.700 -0.574 0.000 2.374 186 S HA -0.208 4.262 4.470 0.000 0.000 0.227 186 S C 1.968 176.356 174.600 -0.354 0.000 1.037 186 S CA 1.474 59.078 58.200 -0.992 0.000 1.024 186 S CB -1.261 61.167 63.200 -1.286 0.000 0.861 186 S HN 0.369 nan 8.310 nan 0.000 0.456 187 V N -1.884 117.771 119.914 -0.431 0.000 2.867 187 V HA 0.037 4.157 4.120 0.000 0.000 0.260 187 V C 1.896 177.709 176.094 -0.469 0.000 1.099 187 V CA 1.263 63.240 62.300 -0.537 0.000 1.122 187 V CB -1.465 29.698 31.823 -1.100 0.000 0.708 187 V HN 0.379 nan 8.190 nan 0.000 0.490 188 F N 1.089 121.003 119.950 -0.060 0.000 2.512 188 F HA 0.311 4.838 4.527 0.000 0.000 0.296 188 F C 1.457 177.438 175.800 0.302 0.000 1.110 188 F CA 0.296 58.324 58.000 0.047 0.000 1.446 188 F CB -0.224 38.806 39.000 0.050 0.000 1.092 188 F HN 0.100 nan 8.300 nan 0.000 0.554 189 S N 0.718 116.674 115.700 0.427 0.000 2.472 189 S HA 0.431 4.901 4.470 0.000 0.000 0.303 189 S C 0.042 174.818 174.600 0.294 0.000 1.099 189 S CA -0.839 57.603 58.200 0.403 0.000 1.077 189 S CB 1.291 64.736 63.200 0.409 0.000 1.031 189 S HN -0.071 nan 8.310 nan 0.000 0.487 190 R N 3.086 123.691 120.500 0.175 0.000 2.612 190 R HA 0.319 4.659 4.340 0.000 0.000 0.273 190 R C -0.153 175.997 176.300 -0.250 0.000 1.376 190 R CA 0.016 56.168 56.100 0.087 0.000 1.171 190 R CB -0.877 29.470 30.300 0.078 0.000 1.151 190 R HN 0.557 nan 8.270 nan 0.000 0.560 191 K N -0.099 120.212 120.400 -0.148 0.000 2.542 191 K HA 0.438 4.758 4.320 0.000 0.000 0.259 191 K C -1.074 175.549 176.600 0.039 0.000 0.932 191 K CA -0.661 55.459 56.287 -0.278 0.000 0.820 191 K CB 2.033 34.529 32.500 -0.007 0.000 1.345 191 K HN 0.395 nan 8.250 nan 0.000 0.432 192 A N 5.056 127.880 122.820 0.006 0.000 2.550 192 A HA 0.110 4.430 4.320 0.000 0.000 0.263 192 A C -1.942 175.828 177.584 0.309 0.000 1.065 192 A CA -0.626 51.593 52.037 0.304 0.000 0.786 192 A CB -0.338 18.838 19.000 0.294 0.000 0.985 192 A HN 0.613 nan 8.150 nan 0.000 0.518 193 P HA -0.243 nan 4.420 nan 0.000 0.216 193 P C 1.281 178.817 177.300 0.393 0.000 1.153 193 P CA 2.082 65.365 63.100 0.305 0.000 0.858 193 P CB -0.165 31.638 31.700 0.172 0.000 0.789 194 Y N -0.493 119.886 120.300 0.132 0.000 2.483 194 Y HA -0.124 4.426 4.550 0.000 0.000 0.291 194 Y C 2.010 177.979 175.900 0.115 0.000 1.143 194 Y CA 1.020 59.218 58.100 0.163 0.000 1.289 194 Y CB -1.477 37.099 38.460 0.193 0.000 0.983 194 Y HN -0.032 nan 8.280 nan 0.000 0.556 195 S N -0.665 114.663 115.700 -0.621 0.000 2.442 195 S HA -0.224 4.246 4.470 0.000 0.000 0.236 195 S C 1.175 175.506 174.600 -0.450 0.000 1.007 195 S CA 0.920 58.677 58.200 -0.738 0.000 0.965 195 S CB -1.193 61.622 63.200 -0.642 0.000 0.773 195 S HN 0.684 nan 8.310 nan 0.000 0.504 196 Y N 2.555 122.729 120.300 -0.210 0.000 2.490 196 Y HA 0.422 4.972 4.550 0.000 0.000 0.281 196 Y C 1.537 177.301 175.900 -0.227 0.000 1.174 196 Y CA 0.175 58.194 58.100 -0.136 0.000 1.295 196 Y CB -0.183 38.252 38.460 -0.043 0.000 1.062 196 Y HN 0.585 nan 8.280 nan 0.000 0.522 197 G N -0.892 107.802 108.800 -0.177 0.000 2.515 197 G HA2 -0.051 3.909 3.960 0.000 0.000 0.686 197 G HA3 -0.051 3.909 3.960 0.000 0.000 0.686 197 G C -1.373 173.330 174.900 -0.329 0.000 1.274 197 G CA -0.790 44.026 45.100 -0.473 0.000 0.874 197 G HN 0.165 nan 8.290 nan 0.000 0.631 198 W N -0.308 120.591 121.300 -0.668 0.000 2.826 198 W HA 0.344 5.004 4.660 0.000 0.000 0.410 198 W C -0.108 176.165 176.519 -0.409 0.000 1.128 198 W CA 0.376 57.346 57.345 -0.625 0.000 1.176 198 W CB 1.109 29.946 29.460 -1.039 0.000 1.475 198 W HN 0.807 nan 8.180 nan 0.000 0.588 199 D N -0.524 119.637 120.400 -0.399 0.000 2.336 199 D HA -0.050 4.590 4.640 0.000 0.000 0.229 199 D C 0.909 177.380 176.300 0.285 0.000 1.061 199 D CA 0.585 54.579 54.000 -0.011 0.000 0.875 199 D CB -0.580 40.230 40.800 0.016 0.000 0.904 199 D HN 0.419 nan 8.370 nan 0.000 0.525 200 W N -1.279 120.339 121.300 0.530 0.000 2.304 200 W HA 0.575 5.235 4.660 0.000 0.000 0.326 200 W C -0.132 176.694 176.519 0.513 0.000 0.920 200 W CA -0.838 56.773 57.345 0.443 0.000 1.518 200 W CB 0.096 29.817 29.460 0.435 0.000 1.112 200 W HN -0.007 nan 8.180 nan 0.000 0.528 201 G N 1.873 110.893 108.800 0.367 0.000 2.519 201 G HA2 0.561 4.521 3.960 0.000 0.000 0.307 201 G HA3 0.561 4.521 3.960 0.000 0.000 0.307 201 G C -1.368 173.389 174.900 -0.239 0.000 1.266 201 G CA -0.896 44.336 45.100 0.220 0.000 0.970 201 G HN 0.097 nan 8.290 nan 0.000 0.481 202 I N 0.463 120.459 120.570 -0.958 0.000 2.581 202 I HA 0.411 4.581 4.170 0.000 0.000 0.288 202 I C 0.635 176.443 176.117 -0.514 0.000 1.047 202 I CA -0.955 59.740 61.300 -1.009 0.000 1.374 202 I CB 0.872 37.872 38.000 -1.667 0.000 1.423 202 I HN 0.439 nan 8.210 nan 0.000 0.549 203 R N 7.971 128.271 120.500 -0.334 0.000 2.242 203 R HA 0.346 4.686 4.340 0.000 0.000 0.334 203 R C -0.946 175.164 176.300 -0.317 0.000 1.071 203 R CA -0.247 55.698 56.100 -0.259 0.000 0.922 203 R CB 0.461 30.706 30.300 -0.091 0.000 1.023 203 R HN 0.743 nan 8.270 nan 0.000 0.458 204 M N 5.934 125.282 119.600 -0.421 0.000 1.949 204 M HA 0.193 4.673 4.480 0.000 0.000 0.234 204 M C -1.495 174.468 176.300 -0.562 0.000 0.855 204 M CA -0.562 54.411 55.300 -0.545 0.000 0.800 204 M CB 1.420 33.636 32.600 -0.640 0.000 1.697 204 M HN 0.287 nan 8.290 nan 0.000 0.357 205 V N 2.858 122.515 119.914 -0.429 0.000 2.341 205 V HA 0.142 4.262 4.120 0.000 0.000 0.248 205 V C 0.704 176.653 176.094 -0.241 0.000 1.107 205 V CA 0.282 62.309 62.300 -0.454 0.000 1.069 205 V CB 0.028 31.567 31.823 -0.474 0.000 1.177 205 V HN 0.780 nan 8.190 nan 0.000 0.492 206 T N 3.416 117.792 114.554 -0.297 0.000 2.880 206 T HA 0.655 5.005 4.350 0.000 0.000 0.279 206 T C 0.063 174.638 174.700 -0.207 0.000 0.990 206 T CA -0.187 61.820 62.100 -0.155 0.000 0.938 206 T CB 1.409 70.149 68.868 -0.212 0.000 1.206 206 T HN 0.642 nan 8.240 nan 0.000 0.573 207 S N -1.288 114.247 115.700 -0.274 0.000 2.596 207 S HA 0.837 5.307 4.470 0.000 0.000 0.270 207 S C -0.333 173.870 174.600 -0.662 0.000 1.155 207 S CA -0.092 57.872 58.200 -0.394 0.000 0.827 207 S CB 1.638 64.674 63.200 -0.273 0.000 1.130 207 S HN 1.363 nan 8.310 nan 0.000 0.467 208 G N -0.296 107.832 108.800 -1.120 0.000 2.347 208 G HA2 0.173 4.133 3.960 0.000 0.000 0.341 208 G HA3 0.173 4.133 3.960 0.000 0.000 0.341 208 G C -1.785 172.792 174.900 -0.538 0.000 1.287 208 G CA -0.587 43.760 45.100 -1.257 0.000 0.984 208 G HN 0.965 nan 8.290 nan 0.000 0.526 209 V N 2.284 121.944 119.914 -0.423 0.000 2.299 209 V HA 0.261 4.381 4.120 0.000 0.000 0.255 209 V C 1.334 177.402 176.094 -0.043 0.000 1.100 209 V CA 0.211 62.459 62.300 -0.086 0.000 0.938 209 V CB 0.014 31.681 31.823 -0.260 0.000 1.139 209 V HN 0.835 nan 8.190 nan 0.000 0.490 210 W N 5.017 126.248 121.300 -0.116 0.000 3.139 210 W HA 0.323 4.983 4.660 0.001 0.000 0.260 210 W C 0.290 176.807 176.519 -0.004 0.000 1.312 210 W CA -0.541 56.756 57.345 -0.080 0.000 1.606 210 W CB 0.141 29.565 29.460 -0.060 0.000 1.118 210 W HN 0.346 nan 8.180 nan 0.000 0.675 211 R N 0.029 120.263 120.500 -0.444 0.000 2.855 211 R HA 0.418 4.758 4.340 0.000 0.000 0.266 211 R C -2.589 173.600 176.300 -0.185 0.000 1.034 211 R CA -2.024 53.822 56.100 -0.423 0.000 0.944 211 R CB 1.525 31.404 30.300 -0.701 0.000 1.219 211 R HN -0.393 nan 8.270 nan 0.000 0.474 212 P HA 0.087 nan 4.420 nan 0.000 0.272 212 P C -1.026 176.251 177.300 -0.038 0.000 1.230 212 P CA -0.263 62.800 63.100 -0.061 0.000 0.788 212 P CB 0.596 32.269 31.700 -0.046 0.000 0.949 213 V N 1.277 121.174 119.914 -0.029 0.000 2.540 213 V HA 0.636 4.756 4.120 0.000 0.000 0.302 213 V C 0.151 176.177 176.094 -0.114 0.000 1.035 213 V CA -0.386 61.840 62.300 -0.122 0.000 0.873 213 V CB 1.668 33.468 31.823 -0.038 0.000 0.992 213 V HN 0.751 nan 8.190 nan 0.000 0.428 214 T N 2.333 116.771 114.554 -0.193 0.000 2.896 214 T HA 0.811 5.161 4.350 0.000 0.000 0.297 214 T C -1.087 173.482 174.700 -0.219 0.000 1.108 214 T CA -0.758 61.252 62.100 -0.149 0.000 1.004 214 T CB 1.871 70.688 68.868 -0.084 0.000 1.159 214 T HN 0.362 nan 8.240 nan 0.000 0.499 215 L N 1.398 122.498 121.223 -0.205 0.000 2.333 215 L HA 0.647 4.987 4.340 0.000 0.000 0.280 215 L C 0.031 176.741 176.870 -0.266 0.000 1.004 215 L CA -0.907 53.745 54.840 -0.313 0.000 0.820 215 L CB 1.968 43.784 42.059 -0.405 0.000 1.247 215 L HN 0.668 nan 8.230 nan 0.000 0.416 216 R N 3.344 123.662 120.500 -0.303 0.000 2.393 216 R HA 0.519 4.859 4.340 0.000 0.000 0.315 216 R C -1.738 174.464 176.300 -0.163 0.000 0.952 216 R CA -0.483 55.549 56.100 -0.113 0.000 0.842 216 R CB 1.021 31.305 30.300 -0.026 0.000 1.163 216 R HN 0.339 nan 8.270 nan 0.000 0.450 217 F N 5.856 125.892 119.950 0.145 0.000 2.411 217 F HA 0.401 4.928 4.527 0.000 0.000 0.352 217 F C -0.371 175.533 175.800 0.174 0.000 1.123 217 F CA -0.567 57.501 58.000 0.113 0.000 1.044 217 F CB 1.129 40.156 39.000 0.044 0.000 1.135 217 F HN 0.466 nan 8.300 nan 0.000 0.461 218 Y N -0.499 119.887 120.300 0.143 0.000 2.625 218 Y HA 0.650 5.200 4.550 -0.000 0.000 0.338 218 Y C -1.645 174.293 175.900 0.063 0.000 1.123 218 Y CA -1.597 56.553 58.100 0.083 0.000 1.046 218 Y CB 1.187 39.671 38.460 0.039 0.000 1.299 218 Y HN 0.326 nan 8.280 nan 0.000 0.464 219 D N 3.011 123.506 120.400 0.159 0.000 2.163 219 D HA 0.417 5.057 4.640 0.000 0.000 0.248 219 D C 0.806 177.214 176.300 0.180 0.000 1.035 219 D CA 0.004 54.042 54.000 0.063 0.000 0.872 219 D CB 1.876 42.707 40.800 0.052 0.000 1.183 219 D HN 0.775 nan 8.370 nan 0.000 0.445 220 I N -0.543 120.083 120.570 0.095 0.000 4.639 220 I HA -0.366 3.804 4.170 0.000 0.000 0.047 220 I C 0.452 176.693 176.117 0.206 0.000 0.623 220 I CA 1.615 62.984 61.300 0.115 0.000 0.827 220 I CB -1.783 36.267 38.000 0.083 0.000 0.758 220 I HN 0.634 nan 8.210 nan 0.000 0.158 221 A N 0.122 123.114 122.820 0.286 0.000 2.608 221 A HA 0.721 5.041 4.320 0.000 0.000 0.292 221 A C -0.175 177.380 177.584 -0.048 0.000 1.066 221 A CA 0.388 52.525 52.037 0.168 0.000 0.676 221 A CB 1.477 20.511 19.000 0.057 0.000 1.277 221 A HN 0.615 nan 8.150 nan 0.000 0.413 222 T N -1.063 113.341 114.554 -0.250 0.000 2.912 222 T HA 0.718 5.069 4.350 0.000 0.000 0.288 222 T C -0.349 174.253 174.700 -0.163 0.000 1.030 222 T CA -0.498 61.404 62.100 -0.331 0.000 1.020 222 T CB 0.974 69.528 68.868 -0.523 0.000 1.056 222 T HN 0.542 nan 8.240 nan 0.000 0.480 223 I N 3.024 123.517 120.570 -0.128 0.000 2.308 223 I HA 0.127 4.297 4.170 0.000 0.000 0.293 223 I C 1.122 177.204 176.117 -0.057 0.000 1.078 223 I CA -0.354 60.900 61.300 -0.076 0.000 1.292 223 I CB 0.924 38.882 38.000 -0.069 0.000 1.423 223 I HN 0.791 nan 8.210 nan 0.000 0.493 224 S N 3.403 119.077 115.700 -0.044 0.000 2.436 224 S HA -0.037 4.433 4.470 0.000 0.000 0.228 224 S C 0.269 174.878 174.600 0.015 0.000 1.014 224 S CA 0.468 58.653 58.200 -0.026 0.000 0.950 224 S CB -0.151 63.034 63.200 -0.025 0.000 0.784 224 S HN 0.758 nan 8.310 nan 0.000 0.504 225 D N -1.137 119.296 120.400 0.055 0.000 2.736 225 D HA 0.437 5.078 4.640 0.000 0.000 0.223 225 D C -1.969 174.476 176.300 0.241 0.000 1.231 225 D CA -0.576 53.493 54.000 0.115 0.000 0.818 225 D CB 1.271 42.124 40.800 0.087 0.000 1.587 225 D HN -0.021 nan 8.370 nan 0.000 0.463 226 Y N 3.492 123.884 120.300 0.153 0.000 2.354 226 Y HA 0.522 5.073 4.550 0.001 0.000 0.330 226 Y C -2.349 173.715 175.900 0.272 0.000 1.011 226 Y CA -1.222 57.000 58.100 0.203 0.000 1.099 226 Y CB 0.843 39.406 38.460 0.173 0.000 1.179 226 Y HN 0.397 nan 8.280 nan 0.000 0.442 227 Y N 6.448 126.758 120.300 0.016 0.000 2.326 227 Y HA 0.633 5.183 4.550 0.000 0.000 0.331 227 Y C -1.531 174.190 175.900 -0.298 0.000 0.962 227 Y CA -1.830 56.139 58.100 -0.220 0.000 1.167 227 Y CB 1.319 39.735 38.460 -0.075 0.000 1.148 227 Y HN 0.366 nan 8.280 nan 0.000 0.463 228 V N 8.127 127.706 119.914 -0.558 0.000 2.339 228 V HA 0.344 4.464 4.120 0.000 0.000 0.261 228 V C 0.275 175.921 176.094 -0.747 0.000 1.058 228 V CA -0.522 61.397 62.300 -0.636 0.000 0.897 228 V CB 0.207 31.550 31.823 -0.800 0.000 1.052 228 V HN 0.689 nan 8.190 nan 0.000 0.480 229 R N 4.332 124.356 120.500 -0.794 0.000 2.221 229 R HA 0.295 4.635 4.340 0.000 0.000 0.327 229 R C 0.025 176.103 176.300 -0.370 0.000 1.033 229 R CA -0.441 55.216 56.100 -0.740 0.000 0.887 229 R CB 0.789 30.655 30.300 -0.725 0.000 1.057 229 R HN 0.782 nan 8.270 nan 0.000 0.455 230 Q N 4.751 124.386 119.800 -0.274 0.000 2.295 230 Q HA 0.097 4.437 4.340 0.000 0.000 0.259 230 Q C 0.165 176.096 176.000 -0.115 0.000 0.976 230 Q CA -0.162 55.539 55.803 -0.171 0.000 0.923 230 Q CB 1.087 29.742 28.738 -0.140 0.000 1.185 230 Q HN 0.792 nan 8.270 nan 0.000 0.410 231 L N 2.197 123.367 121.223 -0.089 0.000 2.221 231 L HA 0.168 4.508 4.340 0.000 0.000 0.202 231 L C 0.554 177.400 176.870 -0.040 0.000 1.074 231 L CA 0.297 55.100 54.840 -0.061 0.000 0.795 231 L CB 0.194 42.222 42.059 -0.053 0.000 0.960 231 L HN 0.685 nan 8.230 nan 0.000 0.458 232 S N -0.801 114.879 115.700 -0.034 0.000 2.588 232 S HA 0.653 5.123 4.470 0.000 0.000 0.269 232 S C -1.333 173.259 174.600 -0.014 0.000 1.157 232 S CA -0.794 57.394 58.200 -0.019 0.000 0.824 232 S CB 2.538 65.731 63.200 -0.012 0.000 1.126 232 S HN -0.011 nan 8.310 nan 0.000 0.464 233 L N 1.581 122.804 121.223 -0.000 0.000 2.516 233 L HA 0.821 5.161 4.340 0.000 0.000 0.267 233 L C -0.494 176.389 176.870 0.021 0.000 0.957 233 L CA 0.337 55.183 54.840 0.011 0.000 0.860 233 L CB 1.839 43.910 42.059 0.020 0.000 1.265 233 L HN 1.234 nan 8.230 nan 0.000 0.403 234 T N -0.810 113.758 114.554 0.022 0.000 2.888 234 T HA 0.449 4.799 4.350 0.000 0.000 0.288 234 T C 0.321 175.041 174.700 0.033 0.000 1.063 234 T CA -0.539 61.576 62.100 0.026 0.000 1.010 234 T CB 1.264 70.143 68.868 0.019 0.000 1.214 234 T HN 0.475 nan 8.240 nan 0.000 0.533 235 D N 0.341 120.761 120.400 0.033 0.000 2.265 235 D HA -0.053 4.587 4.640 0.000 0.000 0.208 235 D C 1.500 177.821 176.300 0.035 0.000 0.977 235 D CA 1.243 55.266 54.000 0.038 0.000 0.871 235 D CB 0.030 40.848 40.800 0.030 0.000 0.925 235 D HN 0.659 nan 8.370 nan 0.000 0.485 236 E N -0.464 119.752 120.200 0.027 0.000 2.250 236 E HA 0.099 4.449 4.350 0.000 0.000 0.192 236 E C 0.239 176.851 176.600 0.021 0.000 0.986 236 E CA 0.275 56.689 56.400 0.023 0.000 0.849 236 E CB 0.321 30.031 29.700 0.017 0.000 0.797 236 E HN 0.039 nan 8.360 nan 0.000 0.482 237 N N -0.882 117.829 118.700 0.018 0.000 2.446 237 N HA 0.501 5.241 4.740 0.000 0.000 0.272 237 N C -2.017 173.496 175.510 0.005 0.000 1.127 237 N CA -0.326 52.730 53.050 0.010 0.000 0.896 237 N CB 1.577 40.067 38.487 0.006 0.000 1.658 237 N HN -0.019 nan 8.380 nan 0.000 0.483 238 A N 2.534 125.350 122.820 -0.007 0.000 2.318 238 A HA 0.764 5.084 4.320 0.000 0.000 0.324 238 A C -0.607 176.967 177.584 -0.016 0.000 1.170 238 A CA -0.578 51.449 52.037 -0.016 0.000 0.810 238 A CB 0.670 19.647 19.000 -0.037 0.000 1.198 238 A HN 0.631 nan 8.150 nan 0.000 0.484 239 R N 2.255 122.743 120.500 -0.019 0.000 2.343 239 R HA 0.585 4.925 4.340 0.000 0.000 0.320 239 R C -1.166 175.116 176.300 -0.030 0.000 0.956 239 R CA -0.648 55.442 56.100 -0.017 0.000 0.836 239 R CB 1.302 31.592 30.300 -0.018 0.000 1.151 239 R HN 0.476 nan 8.270 nan 0.000 0.450 240 L N 0.953 122.168 121.223 -0.012 0.000 2.333 240 L HA 0.511 4.852 4.340 0.000 0.000 0.269 240 L C 0.104 176.957 176.870 -0.028 0.000 1.010 240 L CA -0.506 54.314 54.840 -0.034 0.000 0.818 240 L CB 1.812 43.900 42.059 0.047 0.000 1.306 240 L HN 0.537 nan 8.230 nan 0.000 0.430 241 S N 1.796 117.445 115.700 -0.084 0.000 2.605 241 S HA 0.484 4.954 4.470 0.000 0.000 0.308 241 S C -0.693 173.873 174.600 -0.056 0.000 1.113 241 S CA -0.713 57.453 58.200 -0.056 0.000 1.049 241 S CB 0.475 63.625 63.200 -0.084 0.000 1.001 241 S HN 0.585 nan 8.310 nan 0.000 0.480 242 N N 4.513 123.253 118.700 0.067 0.000 2.406 242 N HA 0.180 4.920 4.740 0.000 0.000 0.251 242 N C -0.866 174.754 175.510 0.184 0.000 1.069 242 N CA -0.070 53.106 53.050 0.210 0.000 0.947 242 N CB 1.034 39.712 38.487 0.319 0.000 1.111 242 N HN 0.690 nan 8.380 nan 0.000 0.497 243 E N 2.668 122.989 120.200 0.203 0.000 2.113 243 E HA 0.375 4.725 4.350 0.000 0.000 0.273 243 E C -0.500 176.284 176.600 0.307 0.000 0.924 243 E CA -0.443 56.081 56.400 0.208 0.000 0.764 243 E CB 1.673 31.488 29.700 0.192 0.000 1.104 243 E HN 0.303 nan 8.360 nan 0.000 0.406 244 L N 4.225 125.575 121.223 0.211 0.000 2.346 244 L HA 0.533 4.873 4.340 0.000 0.000 0.276 244 L C -0.442 176.499 176.870 0.119 0.000 1.006 244 L CA -0.706 54.229 54.840 0.160 0.000 0.817 244 L CB 1.510 43.590 42.059 0.035 0.000 1.272 244 L HN 0.436 nan 8.230 nan 0.000 0.421 245 I N 3.620 124.244 120.570 0.089 0.000 2.330 245 I HA 0.366 4.536 4.170 0.000 0.000 0.289 245 I C -0.680 175.405 176.117 -0.053 0.000 1.001 245 I CA -0.670 60.617 61.300 -0.022 0.000 1.193 245 I CB 1.772 39.774 38.000 0.004 0.000 1.345 245 I HN 0.193 nan 8.210 nan 0.000 0.461 246 V N 5.513 125.372 119.914 -0.092 0.000 2.409 246 V HA 0.294 4.414 4.120 0.000 0.000 0.291 246 V C -0.233 175.817 176.094 -0.073 0.000 1.020 246 V CA -0.698 61.560 62.300 -0.071 0.000 0.848 246 V CB 1.790 33.581 31.823 -0.053 0.000 0.990 246 V HN 0.671 nan 8.190 nan 0.000 0.430 247 N N 3.955 122.619 118.700 -0.060 0.000 2.457 247 N HA 0.262 5.002 4.740 0.000 0.000 0.250 247 N C -0.481 175.038 175.510 0.013 0.000 0.982 247 N CA -0.271 52.759 53.050 -0.033 0.000 0.941 247 N CB 1.187 39.657 38.487 -0.030 0.000 1.120 247 N HN 0.787 nan 8.380 nan 0.000 0.505 248 Q N 3.714 123.531 119.800 0.028 0.000 2.256 248 Q HA 0.293 4.634 4.340 0.000 0.000 0.254 248 Q C 0.082 176.131 176.000 0.081 0.000 0.916 248 Q CA -0.393 55.448 55.803 0.063 0.000 0.932 248 Q CB 1.063 29.823 28.738 0.037 0.000 1.207 248 Q HN 0.735 nan 8.270 nan 0.000 0.426 249 I N 4.370 125.015 120.570 0.125 0.000 3.783 249 I HA 0.053 4.223 4.170 0.000 0.000 0.310 249 I C -0.149 175.993 176.117 0.042 0.000 1.274 249 I CA 0.160 61.519 61.300 0.098 0.000 1.294 249 I CB 1.025 39.108 38.000 0.137 0.000 1.051 249 I HN 0.531 nan 8.210 nan 0.000 0.435 250 V N -1.714 118.222 119.914 0.037 0.000 2.716 250 V HA 0.529 4.649 4.120 0.000 0.000 0.304 250 V C -1.656 174.449 176.094 0.018 0.000 1.053 250 V CA -1.344 60.966 62.300 0.017 0.000 0.984 250 V CB 0.575 32.405 31.823 0.013 0.000 1.021 250 V HN -0.045 nan 8.190 nan 0.000 0.467 251 P HA -0.027 nan 4.420 nan 0.000 0.222 251 P C 0.348 177.656 177.300 0.012 0.000 1.153 251 P CA 0.852 63.959 63.100 0.012 0.000 0.798 251 P CB 0.114 31.820 31.700 0.009 0.000 0.796 252 Q N 0.396 120.203 119.800 0.011 0.000 2.312 252 Q HA 0.184 4.524 4.340 0.000 0.000 0.236 252 Q C -0.292 175.715 176.000 0.011 0.000 0.965 252 Q CA -0.345 55.464 55.803 0.010 0.000 0.894 252 Q CB 0.445 29.188 28.738 0.008 0.000 1.225 252 Q HN -0.241 nan 8.270 nan 0.000 0.478 253 K N 1.206 121.612 120.400 0.010 0.000 2.295 253 K HA 0.369 4.689 4.320 0.000 0.000 0.270 253 K C -0.030 176.576 176.600 0.010 0.000 1.011 253 K CA -0.318 55.975 56.287 0.010 0.000 0.953 253 K CB 0.253 32.758 32.500 0.009 0.000 0.956 253 K HN 0.557 nan 8.250 nan 0.000 0.477 254 I N 4.310 124.886 120.570 0.011 0.000 2.468 254 I HA 0.290 4.460 4.170 0.000 0.000 0.285 254 I C -2.396 173.726 176.117 0.009 0.000 1.039 254 I CA -2.988 58.319 61.300 0.011 0.000 1.074 254 I CB 1.806 39.815 38.000 0.015 0.000 1.228 254 I HN 0.484 nan 8.210 nan 0.000 0.436 255 P HA 0.370 nan 4.420 nan 0.000 0.271 255 P C -0.755 176.548 177.300 0.004 0.000 1.216 255 P CA 0.004 63.107 63.100 0.005 0.000 0.771 255 P CB 1.777 33.479 31.700 0.004 0.000 0.864 256 A N 2.273 125.095 122.820 0.002 0.000 2.602 256 A HA 0.615 4.935 4.320 0.000 0.000 0.290 256 A C -1.330 176.252 177.584 -0.004 0.000 1.114 256 A CA -0.606 51.430 52.037 -0.000 0.000 0.683 256 A CB 1.552 20.552 19.000 -0.001 0.000 1.281 256 A HN 0.521 nan 8.150 nan 0.000 0.416 257 E N 0.626 120.821 120.200 -0.008 0.000 2.241 257 E HA 0.562 4.912 4.350 0.000 0.000 0.263 257 E C -1.654 174.935 176.600 -0.020 0.000 0.882 257 E CA -0.522 55.872 56.400 -0.011 0.000 0.769 257 E CB 1.791 31.485 29.700 -0.010 0.000 1.185 257 E HN 0.463 nan 8.360 nan 0.000 0.415 258 V N 4.943 124.843 119.914 -0.023 0.000 2.498 258 V HA 0.426 4.547 4.120 0.000 0.000 0.279 258 V C 0.057 176.128 176.094 -0.038 0.000 1.048 258 V CA -0.264 62.013 62.300 -0.038 0.000 0.967 258 V CB 1.107 32.907 31.823 -0.038 0.000 0.988 258 V HN 0.657 nan 8.190 nan 0.000 0.473 259 R N 3.245 123.714 120.500 -0.052 0.000 2.561 259 R HA 0.725 5.066 4.340 0.000 0.000 0.297 259 R C -1.546 174.718 176.300 -0.059 0.000 0.969 259 R CA -0.649 55.424 56.100 -0.045 0.000 0.879 259 R CB 2.395 32.673 30.300 -0.037 0.000 1.178 259 R HN 0.501 nan 8.270 nan 0.000 0.445 260 V N 3.276 123.165 119.914 -0.040 0.000 2.409 260 V HA 0.296 4.416 4.120 0.000 0.000 0.291 260 V C -0.406 175.664 176.094 -0.039 0.000 1.020 260 V CA -0.865 61.419 62.300 -0.027 0.000 0.848 260 V CB 1.513 33.355 31.823 0.032 0.000 0.990 260 V HN 0.699 nan 8.190 nan 0.000 0.430 261 N N 4.215 122.888 118.700 -0.045 0.000 2.408 261 N HA 0.484 5.225 4.740 0.000 0.000 0.280 261 N C -1.383 174.038 175.510 -0.148 0.000 1.002 261 N CA -0.235 52.771 53.050 -0.073 0.000 0.907 261 N CB 2.189 40.651 38.487 -0.042 0.000 1.161 261 N HN 0.382 nan 8.380 nan 0.000 0.488 262 V N 2.696 122.462 119.914 -0.246 0.000 2.384 262 V HA 0.446 4.566 4.120 0.000 0.000 0.287 262 V C 0.041 176.040 176.094 -0.159 0.000 1.020 262 V CA -0.587 61.447 62.300 -0.443 0.000 0.850 262 V CB 0.995 32.366 31.823 -0.754 0.000 0.987 262 V HN 0.814 nan 8.190 nan 0.000 0.436 263 S N 5.105 120.778 115.700 -0.046 0.000 2.595 263 S HA 0.884 5.354 4.470 0.000 0.000 0.281 263 S C -1.307 173.339 174.600 0.077 0.000 1.117 263 S CA -0.843 57.375 58.200 0.031 0.000 0.873 263 S CB 2.276 65.480 63.200 0.006 0.000 1.108 263 S HN 0.609 nan 8.310 nan 0.000 0.477 264 L N 2.176 123.396 121.223 -0.005 0.000 2.404 264 L HA 0.601 4.941 4.340 0.000 0.000 0.272 264 L C -0.454 176.357 176.870 -0.098 0.000 0.980 264 L CA 0.236 54.979 54.840 -0.162 0.000 0.836 264 L CB 0.638 42.485 42.059 -0.352 0.000 1.238 264 L HN 0.872 nan 8.230 nan 0.000 0.408 265 N N 4.331 122.984 118.700 -0.077 0.000 2.740 265 N HA -0.199 4.541 4.740 0.000 0.000 0.248 265 N C 0.900 176.395 175.510 -0.025 0.000 1.062 265 N CA 1.399 54.421 53.050 -0.047 0.000 0.704 265 N CB -1.145 37.307 38.487 -0.058 0.000 0.968 265 N HN 1.274 nan 8.380 nan 0.000 0.547 266 G N -2.666 106.126 108.800 -0.014 0.000 2.175 266 G HA2 -0.271 3.689 3.960 0.000 0.000 0.244 266 G HA3 -0.271 3.689 3.960 0.000 0.000 0.244 266 G C 0.046 174.943 174.900 -0.005 0.000 0.982 266 G CA 0.519 45.615 45.100 -0.005 0.000 0.641 266 G HN 0.523 nan 8.290 nan 0.000 0.527 267 T N 1.665 116.214 114.554 -0.008 0.000 2.812 267 T HA 0.544 4.895 4.350 0.000 0.000 0.282 267 T C 0.273 174.974 174.700 0.001 0.000 0.990 267 T CA 0.060 62.158 62.100 -0.004 0.000 0.960 267 T CB 1.667 70.533 68.868 -0.004 0.000 0.948 267 T HN 0.208 nan 8.240 nan 0.000 0.438 268 T N 2.798 117.351 114.554 -0.002 0.000 2.871 268 T HA 0.094 4.444 4.350 0.000 0.000 0.296 268 T C 1.683 176.385 174.700 0.003 0.000 0.998 268 T CA 0.021 62.117 62.100 -0.007 0.000 1.162 268 T CB 0.411 69.271 68.868 -0.014 0.000 0.947 268 T HN 0.600 nan 8.240 nan 0.000 0.536 269 V N 1.414 121.333 119.914 0.008 0.000 2.922 269 V HA 0.401 4.521 4.120 0.000 0.000 0.242 269 V C 0.791 176.878 176.094 -0.013 0.000 1.094 269 V CA 0.800 63.115 62.300 0.025 0.000 1.106 269 V CB 0.501 32.388 31.823 0.106 0.000 0.799 269 V HN 0.799 nan 8.190 nan 0.000 0.474 270 T N 0.356 114.877 114.554 -0.056 0.000 2.889 270 T HA 0.516 4.866 4.350 0.000 0.000 0.315 270 T C -1.833 172.820 174.700 -0.078 0.000 1.291 270 T CA -0.467 61.595 62.100 -0.064 0.000 1.028 270 T CB 2.136 70.963 68.868 -0.068 0.000 1.235 270 T HN 0.592 nan 8.240 nan 0.000 0.491 271 E N 1.864 122.033 120.200 -0.051 0.000 2.263 271 E HA 0.586 4.936 4.350 0.000 0.000 0.268 271 E C -0.946 175.636 176.600 -0.031 0.000 0.884 271 E CA -0.926 55.447 56.400 -0.045 0.000 0.766 271 E CB 2.361 32.042 29.700 -0.033 0.000 1.196 271 E HN 0.607 nan 8.360 nan 0.000 0.416 272 V N -0.111 119.787 119.914 -0.026 0.000 2.914 272 V HA 0.782 4.902 4.120 0.000 0.000 0.314 272 V C -0.692 175.393 176.094 -0.014 0.000 1.084 272 V CA -0.916 61.375 62.300 -0.014 0.000 0.963 272 V CB 2.007 33.828 31.823 -0.004 0.000 1.025 272 V HN 0.749 nan 8.190 nan 0.000 0.432 273 K N 1.936 122.329 120.400 -0.011 0.000 2.536 273 K HA 0.751 5.071 4.320 0.000 0.000 0.269 273 K C -1.601 174.994 176.600 -0.007 0.000 0.965 273 K CA -0.815 55.465 56.287 -0.012 0.000 0.860 273 K CB 2.843 35.335 32.500 -0.013 0.000 1.423 273 K HN 0.858 nan 8.250 nan 0.000 0.438 274 Q N 1.448 121.243 119.800 -0.008 0.000 2.327 274 Q HA 0.136 4.476 4.340 0.000 0.000 0.265 274 Q C -1.368 174.629 176.000 -0.005 0.000 0.993 274 Q CA -0.714 55.087 55.803 -0.004 0.000 0.885 274 Q CB 2.230 30.968 28.738 -0.001 0.000 1.379 274 Q HN 0.579 nan 8.270 nan 0.000 0.408 275 Q N 1.739 121.538 119.800 -0.002 0.000 2.314 275 Q HA 0.439 4.779 4.340 0.000 0.000 0.258 275 Q C -0.110 175.891 176.000 0.001 0.000 0.954 275 Q CA -0.057 55.745 55.803 -0.001 0.000 0.890 275 Q CB 1.395 30.133 28.738 -0.000 0.000 1.210 275 Q HN 0.516 nan 8.270 nan 0.000 0.410 276 V N -1.131 118.784 119.914 0.001 0.000 3.181 276 V HA 0.795 4.915 4.120 0.000 0.000 0.308 276 V C -0.523 175.573 176.094 0.004 0.000 1.214 276 V CA -0.874 61.428 62.300 0.004 0.000 1.053 276 V CB 2.427 34.253 31.823 0.004 0.000 1.069 276 V HN 0.632 nan 8.190 nan 0.000 0.441 277 T N 3.477 118.035 114.554 0.006 0.000 2.815 277 T HA 0.634 4.984 4.350 0.000 0.000 0.289 277 T C -0.368 174.336 174.700 0.008 0.000 1.000 277 T CA -0.231 61.873 62.100 0.007 0.000 0.958 277 T CB 0.794 69.666 68.868 0.008 0.000 0.944 277 T HN 0.660 nan 8.240 nan 0.000 0.442 278 L N 4.123 125.350 121.223 0.007 0.000 2.350 278 L HA 0.456 4.796 4.340 0.000 0.000 0.275 278 L C 0.852 177.727 176.870 0.009 0.000 1.099 278 L CA -0.759 54.085 54.840 0.006 0.000 0.808 278 L CB 0.780 42.842 42.059 0.006 0.000 1.149 278 L HN 0.634 nan 8.230 nan 0.000 0.442 279 Q N 3.357 123.161 119.800 0.008 0.000 2.241 279 Q HA 0.584 4.924 4.340 0.000 0.000 0.262 279 Q C -2.676 173.331 176.000 0.011 0.000 1.014 279 Q CA -2.342 53.468 55.803 0.010 0.000 0.885 279 Q CB 1.477 30.223 28.738 0.012 0.000 1.311 279 Q HN 0.258 nan 8.270 nan 0.000 0.461 280 P HA 0.099 nan 4.420 nan 0.000 0.269 280 P C 0.474 177.783 177.300 0.015 0.000 1.209 280 P CA 1.332 64.443 63.100 0.018 0.000 0.776 280 P CB 0.522 32.234 31.700 0.019 0.000 0.876 281 G N 2.639 111.449 108.800 0.017 0.000 2.499 281 G HA2 -0.190 3.770 3.960 0.000 0.000 0.232 281 G HA3 -0.190 3.770 3.960 0.000 0.000 0.232 281 G C -0.650 174.240 174.900 -0.015 0.000 1.251 281 G CA -0.615 44.490 45.100 0.009 0.000 0.917 281 G HN 0.531 nan 8.290 nan 0.000 0.580 282 I N 2.601 123.151 120.570 -0.033 0.000 2.533 282 I HA 0.223 4.393 4.170 0.000 0.000 0.284 282 I C 0.371 176.406 176.117 -0.136 0.000 1.109 282 I CA 0.017 61.255 61.300 -0.103 0.000 1.412 282 I CB 0.042 37.977 38.000 -0.108 0.000 1.396 282 I HN 0.419 nan 8.210 nan 0.000 0.543 283 N N 5.837 124.421 118.700 -0.193 0.000 2.321 283 N HA 0.385 5.125 4.740 0.000 0.000 0.299 283 N C -0.874 174.462 175.510 -0.289 0.000 1.048 283 N CA -0.670 52.286 53.050 -0.158 0.000 0.836 283 N CB 1.829 40.277 38.487 -0.065 0.000 1.269 283 N HN 0.519 nan 8.380 nan 0.000 0.486 284 H N 1.024 120.109 119.070 0.025 0.000 2.476 284 H HA 0.521 5.078 4.556 0.000 0.000 0.328 284 H C -0.391 174.953 175.328 0.026 0.000 1.073 284 H CA -0.266 55.801 56.048 0.031 0.000 1.229 284 H CB 1.361 31.141 29.762 0.030 0.000 1.432 284 H HN 0.354 nan 8.280 nan 0.000 0.477 285 I N 2.540 123.189 120.570 0.131 0.000 2.545 285 I HA 0.353 4.523 4.170 0.000 0.000 0.292 285 I C -0.496 175.673 176.117 0.087 0.000 1.040 285 I CA -0.438 60.910 61.300 0.080 0.000 1.068 285 I CB 2.312 40.334 38.000 0.036 0.000 1.251 285 I HN 0.529 nan 8.210 nan 0.000 0.424 286 T N 6.574 121.166 114.554 0.064 0.000 2.879 286 T HA 0.695 5.045 4.350 0.000 0.000 0.290 286 T C -0.870 173.854 174.700 0.040 0.000 0.993 286 T CA -0.491 61.643 62.100 0.057 0.000 0.975 286 T CB 1.388 70.282 68.868 0.043 0.000 0.981 286 T HN 0.114 nan 8.240 nan 0.000 0.439 287 L N 5.325 126.576 121.223 0.046 0.000 2.406 287 L HA 0.521 4.861 4.340 0.000 0.000 0.272 287 L C -2.316 174.579 176.870 0.043 0.000 0.980 287 L CA -2.012 52.850 54.840 0.036 0.000 0.831 287 L CB 1.546 43.625 42.059 0.033 0.000 1.253 287 L HN 0.341 nan 8.230 nan 0.000 0.406 288 P HA 0.439 nan 4.420 nan 0.000 0.272 288 P C -1.101 176.220 177.300 0.034 0.000 1.223 288 P CA -0.281 62.833 63.100 0.023 0.000 0.784 288 P CB 1.725 33.430 31.700 0.009 0.000 0.923 289 A N 2.007 124.853 122.820 0.043 0.000 2.572 289 A HA 0.606 4.926 4.320 0.000 0.000 0.295 289 A C -1.048 176.551 177.584 0.025 0.000 1.072 289 A CA -0.618 51.440 52.037 0.036 0.000 0.691 289 A CB 1.600 20.634 19.000 0.057 0.000 1.291 289 A HN 0.533 nan 8.150 nan 0.000 0.404 290 E N 0.239 120.439 120.200 0.000 0.000 2.266 290 E HA 0.571 4.921 4.350 0.000 0.000 0.268 290 E C -1.491 175.092 176.600 -0.029 0.000 0.879 290 E CA -0.924 55.472 56.400 -0.008 0.000 0.762 290 E CB 2.658 32.354 29.700 -0.007 0.000 1.199 290 E HN 0.319 nan 8.360 nan 0.000 0.422 291 V N 2.243 122.133 119.914 -0.040 0.000 2.378 291 V HA 0.235 4.355 4.120 0.000 0.000 0.288 291 V C 0.116 176.199 176.094 -0.018 0.000 1.016 291 V CA -0.768 61.495 62.300 -0.060 0.000 0.840 291 V CB 1.417 33.132 31.823 -0.180 0.000 0.994 291 V HN 0.833 nan 8.190 nan 0.000 0.431 292 T N 1.413 115.970 114.554 0.006 0.000 2.897 292 T HA 0.309 4.659 4.350 0.000 0.000 0.294 292 T C 0.404 175.130 174.700 0.043 0.000 1.004 292 T CA -0.304 61.809 62.100 0.021 0.000 1.106 292 T CB -0.017 68.863 68.868 0.019 0.000 0.949 292 T HN 0.795 nan 8.240 nan 0.000 0.520 293 N N 1.213 119.939 118.700 0.043 0.000 2.705 293 N HA -0.124 4.616 4.740 0.000 0.000 0.255 293 N C -2.515 173.051 175.510 0.094 0.000 1.008 293 N CA 0.084 53.169 53.050 0.059 0.000 0.742 293 N CB -1.032 37.487 38.487 0.053 0.000 0.906 293 N HN 0.634 nan 8.380 nan 0.000 0.541 294 P HA 0.016 nan 4.420 nan 0.000 0.267 294 P C -0.127 177.301 177.300 0.212 0.000 1.200 294 P CA 0.044 63.233 63.100 0.149 0.000 0.772 294 P CB 0.861 32.603 31.700 0.069 0.000 0.855 295 V N 4.711 124.839 119.914 0.357 0.000 2.353 295 V HA 0.203 4.323 4.120 0.000 0.000 0.264 295 V C 1.260 177.542 176.094 0.314 0.000 1.049 295 V CA -0.342 62.116 62.300 0.264 0.000 0.896 295 V CB -0.132 31.786 31.823 0.157 0.000 1.025 295 V HN 0.480 nan 8.190 nan 0.000 0.475 296 R N 2.821 123.457 120.500 0.227 0.000 2.641 296 R HA 0.167 4.507 4.340 0.000 0.000 0.269 296 R C -0.479 175.999 176.300 0.297 0.000 1.074 296 R CA -0.413 55.843 56.100 0.259 0.000 1.133 296 R CB 1.015 31.435 30.300 0.200 0.000 1.029 296 R HN 0.759 nan 8.270 nan 0.000 0.488 297 W N 4.595 125.979 121.300 0.140 0.000 2.322 297 W HA 0.201 4.861 4.660 -0.000 0.000 0.307 297 W C -0.878 175.716 176.519 0.124 0.000 1.220 297 W CA -0.431 56.986 57.345 0.119 0.000 1.210 297 W CB 0.686 30.212 29.460 0.110 0.000 1.223 297 W HN 0.298 nan 8.180 nan 0.000 0.511 298 M N 8.986 128.453 119.600 -0.222 0.000 2.578 298 M HA 0.398 4.878 4.480 0.000 0.000 0.321 298 M C -2.166 173.732 176.300 -0.670 0.000 1.182 298 M CA -2.224 52.973 55.300 -0.171 0.000 0.965 298 M CB 1.371 33.982 32.600 0.018 0.000 1.694 298 M HN 0.233 nan 8.290 nan 0.000 0.461 299 P HA 0.078 nan 4.420 nan 0.000 0.274 299 P C -0.572 176.531 177.300 -0.329 0.000 1.237 299 P CA -0.414 62.403 63.100 -0.471 0.000 0.793 299 P CB 0.283 31.826 31.700 -0.262 0.000 0.977 300 N N 0.698 119.222 118.700 -0.294 0.000 2.301 300 N HA 0.093 4.833 4.740 0.000 0.000 0.267 300 N C 1.405 176.816 175.510 -0.165 0.000 1.304 300 N CA 2.168 55.106 53.050 -0.187 0.000 0.851 300 N CB -0.693 37.713 38.487 -0.135 0.000 1.070 300 N HN 0.756 nan 8.380 nan 0.000 0.483 301 G N 2.614 111.377 108.800 -0.062 0.000 2.259 301 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 301 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 301 G C 0.320 175.353 174.900 0.222 0.000 1.001 301 G CA 0.068 45.181 45.100 0.021 0.000 0.627 301 G HN 0.553 nan 8.290 nan 0.000 0.501 302 W N 1.700 122.959 121.300 -0.069 0.000 3.005 302 W HA 0.598 5.258 4.660 -0.000 0.000 0.374 302 W C 1.215 177.693 176.519 -0.069 0.000 1.076 302 W CA 0.358 57.672 57.345 -0.052 0.000 1.794 302 W CB 0.328 29.764 29.460 -0.039 0.000 1.113 302 W HN 1.139 nan 8.180 nan 0.000 0.584 303 G N -0.276 108.582 108.800 0.096 0.000 2.260 303 G HA2 -0.011 3.949 3.960 0.000 0.000 0.250 303 G HA3 -0.011 3.949 3.960 0.000 0.000 0.250 303 G C -0.845 174.020 174.900 -0.058 0.000 1.340 303 G CA -0.888 44.224 45.100 0.019 0.000 1.056 303 G HN -0.258 nan 8.290 nan 0.000 0.471 304 T N 3.513 118.027 114.554 -0.068 0.000 2.806 304 T HA 0.573 4.923 4.350 0.000 0.000 0.290 304 T C -2.210 172.367 174.700 -0.206 0.000 0.966 304 T CA -0.631 61.409 62.100 -0.100 0.000 1.060 304 T CB 1.941 70.780 68.868 -0.048 0.000 0.927 304 T HN 0.437 nan 8.240 nan 0.000 0.485 305 P HA 0.141 nan 4.420 nan 0.000 0.225 305 P C -0.359 176.894 177.300 -0.077 0.000 1.813 305 P CA -0.430 62.316 63.100 -0.589 0.000 1.013 305 P CB -0.803 30.598 31.700 -0.498 0.000 1.961 306 T N 3.180 117.761 114.554 0.044 0.000 2.902 306 T HA 0.203 4.553 4.350 0.000 0.000 0.301 306 T C 0.460 175.340 174.700 0.299 0.000 1.012 306 T CA 0.428 62.608 62.100 0.133 0.000 1.151 306 T CB 0.280 69.213 68.868 0.109 0.000 0.946 306 T HN 0.200 nan 8.240 nan 0.000 0.542 307 L N 3.530 124.861 121.223 0.179 0.000 2.376 307 L HA 0.451 4.791 4.340 0.000 0.000 0.275 307 L C -0.669 176.282 176.870 0.135 0.000 0.987 307 L CA -1.063 53.917 54.840 0.234 0.000 0.828 307 L CB 1.253 43.437 42.059 0.207 0.000 1.249 307 L HN 0.646 nan 8.230 nan 0.000 0.409 308 Y N 1.216 121.642 120.300 0.210 0.000 2.301 308 Y HA 0.173 4.723 4.550 -0.000 0.000 0.328 308 Y C 0.400 176.459 175.900 0.266 0.000 1.242 308 Y CA -0.266 57.972 58.100 0.231 0.000 1.323 308 Y CB 0.927 39.601 38.460 0.357 0.000 1.266 308 Y HN 0.442 nan 8.280 nan 0.000 0.527 309 D N 2.561 123.163 120.400 0.337 0.000 2.280 309 D HA 0.192 4.832 4.640 0.000 0.000 0.236 309 D C -1.276 175.203 176.300 0.297 0.000 1.082 309 D CA -0.091 54.079 54.000 0.283 0.000 0.834 309 D CB 0.950 41.837 40.800 0.145 0.000 1.100 309 D HN 0.225 nan 8.370 nan 0.000 0.486 310 F N 1.158 121.202 119.950 0.157 0.000 2.388 310 F HA 0.207 4.735 4.527 0.001 0.000 0.358 310 F C 0.734 176.675 175.800 0.234 0.000 1.122 310 F CA -0.567 57.548 58.000 0.191 0.000 1.056 310 F CB 1.815 40.929 39.000 0.190 0.000 1.155 310 F HN 0.032 nan 8.300 nan 0.000 0.461 311 S N 3.146 119.002 115.700 0.259 0.000 2.519 311 S HA 0.877 5.347 4.470 0.000 0.000 0.309 311 S C -0.803 173.805 174.600 0.013 0.000 1.100 311 S CA -0.469 57.815 58.200 0.140 0.000 1.059 311 S CB 0.876 64.108 63.200 0.052 0.000 1.008 311 S HN 0.755 nan 8.310 nan 0.000 0.478 312 A N 4.427 127.145 122.820 -0.171 0.000 2.318 312 A HA 0.758 5.078 4.320 0.000 0.000 0.324 312 A C -0.595 176.862 177.584 -0.212 0.000 1.170 312 A CA -0.655 51.174 52.037 -0.346 0.000 0.810 312 A CB 0.987 19.459 19.000 -0.881 0.000 1.198 312 A HN 0.840 nan 8.150 nan 0.000 0.484 313 Q N 1.160 120.873 119.800 -0.144 0.000 2.413 313 Q HA 0.547 4.887 4.340 0.000 0.000 0.276 313 Q C -1.238 174.713 176.000 -0.082 0.000 1.099 313 Q CA -0.877 54.869 55.803 -0.095 0.000 0.814 313 Q CB 2.515 31.217 28.738 -0.059 0.000 1.379 313 Q HN 0.594 nan 8.270 nan 0.000 0.436 314 I N 1.818 122.352 120.570 -0.061 0.000 2.354 314 I HA 0.449 4.619 4.170 0.000 0.000 0.286 314 I C -0.390 175.714 176.117 -0.021 0.000 1.007 314 I CA -0.497 60.779 61.300 -0.040 0.000 1.167 314 I CB 0.668 38.648 38.000 -0.034 0.000 1.320 314 I HN 0.609 nan 8.210 nan 0.000 0.458 315 A N 6.171 128.981 122.820 -0.018 0.000 2.276 315 A HA 0.602 4.922 4.320 0.000 0.000 0.316 315 A C -0.494 177.089 177.584 -0.002 0.000 1.229 315 A CA -0.296 51.736 52.037 -0.008 0.000 0.851 315 A CB 0.590 19.584 19.000 -0.011 0.000 1.165 315 A HN 0.753 nan 8.150 nan 0.000 0.513 316 C N 3.128 122.430 119.300 0.004 0.000 2.386 316 C HA 0.741 5.201 4.460 0.000 0.000 0.318 316 C C 1.213 176.208 174.990 0.007 0.000 1.128 316 C CA 0.292 59.315 59.018 0.008 0.000 1.438 316 C CB -0.385 27.363 27.740 0.014 0.000 1.987 316 C HN 1.823 nan 8.230 nan 0.000 0.426 317 G N 4.615 113.418 108.800 0.004 0.000 2.556 317 G HA2 -0.245 3.715 3.960 0.000 0.000 0.283 317 G HA3 -0.245 3.715 3.960 0.000 0.000 0.283 317 G C 0.221 175.122 174.900 0.002 0.000 1.177 317 G CA 0.816 45.918 45.100 0.003 0.000 0.978 317 G HN 0.785 nan 8.290 nan 0.000 0.554 318 D N 0.722 121.124 120.400 0.003 0.000 2.427 318 D HA 0.244 4.885 4.640 0.000 0.000 0.224 318 D C 0.883 177.185 176.300 0.004 0.000 1.157 318 D CA -0.108 53.893 54.000 0.002 0.000 0.828 318 D CB -0.103 40.698 40.800 0.001 0.000 0.974 318 D HN 0.626 nan 8.370 nan 0.000 0.498 319 R N 0.845 121.349 120.500 0.007 0.000 2.229 319 R HA 0.310 4.650 4.340 0.000 0.000 0.328 319 R C -0.127 176.179 176.300 0.010 0.000 1.009 319 R CA -0.761 55.346 56.100 0.011 0.000 0.864 319 R CB 1.410 31.720 30.300 0.017 0.000 1.085 319 R HN 0.092 nan 8.270 nan 0.000 0.453 320 I N 5.665 126.240 120.570 0.008 0.000 2.311 320 I HA -0.049 4.121 4.170 0.000 0.000 0.297 320 I C 1.751 177.876 176.117 0.014 0.000 1.131 320 I CA 0.293 61.595 61.300 0.003 0.000 1.289 320 I CB 0.442 38.440 38.000 -0.003 0.000 1.446 320 I HN 0.562 nan 8.210 nan 0.000 0.524 321 V N 3.566 123.492 119.914 0.021 0.000 2.719 321 V HA 0.326 4.446 4.120 0.000 0.000 0.252 321 V C 0.881 176.997 176.094 0.036 0.000 1.065 321 V CA 0.762 63.090 62.300 0.046 0.000 1.086 321 V CB -0.242 31.618 31.823 0.063 0.000 0.700 321 V HN 0.677 nan 8.190 nan 0.000 0.467 322 A N -0.142 122.678 122.820 -0.001 0.000 2.488 322 A HA 0.770 5.090 4.320 0.000 0.000 0.298 322 A C -0.891 176.664 177.584 -0.049 0.000 1.044 322 A CA -0.465 51.552 52.037 -0.033 0.000 0.693 322 A CB 1.925 20.890 19.000 -0.057 0.000 1.272 322 A HN 0.299 nan 8.150 nan 0.000 0.402 323 E N 1.123 121.290 120.200 -0.054 0.000 2.331 323 E HA 0.581 4.931 4.350 0.000 0.000 0.275 323 E C -1.781 174.777 176.600 -0.071 0.000 0.895 323 E CA -0.361 55.999 56.400 -0.066 0.000 0.753 323 E CB 2.264 31.939 29.700 -0.042 0.000 1.216 323 E HN 0.669 nan 8.360 nan 0.000 0.434 324 Q N 1.245 120.991 119.800 -0.090 0.000 2.315 324 Q HA 0.539 4.879 4.340 0.000 0.000 0.273 324 Q C -1.860 174.125 176.000 -0.025 0.000 1.053 324 Q CA -0.405 55.356 55.803 -0.071 0.000 0.817 324 Q CB 2.152 30.866 28.738 -0.040 0.000 1.326 324 Q HN 0.343 nan 8.270 nan 0.000 0.423 325 S N 2.384 118.028 115.700 -0.093 0.000 2.570 325 S HA 0.727 5.197 4.470 0.000 0.000 0.286 325 S C -1.601 172.844 174.600 -0.258 0.000 1.099 325 S CA -0.617 57.569 58.200 -0.023 0.000 0.913 325 S CB 0.858 64.066 63.200 0.013 0.000 1.085 325 S HN 0.590 nan 8.310 nan 0.000 0.480 326 H N 1.229 120.380 119.070 0.135 0.000 2.930 326 H HA 0.386 4.942 4.556 0.000 0.000 0.371 326 H C -0.590 174.769 175.328 0.053 0.000 1.169 326 H CA -0.690 55.353 56.048 -0.009 0.000 1.157 326 H CB 1.362 31.008 29.762 -0.194 0.000 1.789 326 H HN 0.429 nan 8.280 nan 0.000 0.547 327 R N 1.838 122.429 120.500 0.152 0.000 2.340 327 R HA 0.379 4.719 4.340 0.000 0.000 0.300 327 R C -0.260 176.080 176.300 0.067 0.000 1.069 327 R CA -0.537 55.652 56.100 0.148 0.000 0.984 327 R CB 0.857 31.230 30.300 0.123 0.000 1.003 327 R HN 0.307 nan 8.270 nan 0.000 0.459 328 I N 1.419 122.066 120.570 0.129 0.000 2.498 328 I HA 0.292 4.462 4.170 0.000 0.000 0.290 328 I C 0.471 176.647 176.117 0.098 0.000 1.032 328 I CA -0.593 60.681 61.300 -0.042 0.000 1.073 328 I CB 1.830 39.615 38.000 -0.357 0.000 1.251 328 I HN 0.681 nan 8.210 nan 0.000 0.426 329 G N 6.499 115.261 108.800 -0.063 0.000 2.335 329 G HA2 0.610 4.570 3.960 0.000 0.000 0.316 329 G HA3 0.610 4.570 3.960 0.000 0.000 0.316 329 G C -0.616 174.290 174.900 0.010 0.000 1.129 329 G CA -0.480 44.626 45.100 0.010 0.000 0.899 329 G HN 0.474 nan 8.290 nan 0.000 0.448 330 L N 4.375 125.709 121.223 0.184 0.000 2.268 330 L HA 0.550 4.890 4.340 0.000 0.000 0.289 330 L C 0.416 177.389 176.870 0.170 0.000 1.064 330 L CA -0.743 54.160 54.840 0.105 0.000 0.824 330 L CB 0.141 42.258 42.059 0.098 0.000 1.202 330 L HN 0.604 nan 8.230 nan 0.000 0.433 331 R N 1.622 122.185 120.500 0.104 0.000 2.716 331 R HA 0.521 4.862 4.340 0.000 0.000 0.271 331 R C -1.072 175.281 176.300 0.089 0.000 1.028 331 R CA -0.725 55.474 56.100 0.165 0.000 0.883 331 R CB 1.152 31.642 30.300 0.317 0.000 1.250 331 R HN 0.346 nan 8.270 nan 0.000 0.465 332 T N -0.654 113.967 114.554 0.112 0.000 2.867 332 T HA 0.729 5.079 4.350 0.000 0.000 0.282 332 T C 0.386 175.152 174.700 0.110 0.000 1.000 332 T CA -0.744 61.404 62.100 0.080 0.000 1.042 332 T CB 0.849 69.757 68.868 0.068 0.000 0.973 332 T HN 0.478 nan 8.240 nan 0.000 0.465 333 I N 2.326 122.941 120.570 0.075 0.000 2.447 333 I HA 0.498 4.668 4.170 0.000 0.000 0.287 333 I C -0.045 176.089 176.117 0.027 0.000 1.023 333 I CA -0.876 60.481 61.300 0.095 0.000 1.083 333 I CB 2.112 40.179 38.000 0.112 0.000 1.245 333 I HN 0.580 nan 8.210 nan 0.000 0.434 334 R N 5.769 126.257 120.500 -0.020 0.000 2.476 334 R HA 0.604 4.944 4.340 0.000 0.000 0.305 334 R C -1.644 174.435 176.300 -0.367 0.000 0.965 334 R CA -0.555 55.457 56.100 -0.146 0.000 0.867 334 R CB 2.029 32.258 30.300 -0.119 0.000 1.176 334 R HN 0.426 nan 8.270 nan 0.000 0.447 335 V N 5.446 124.991 119.914 -0.616 0.000 2.408 335 V HA 0.183 4.304 4.120 0.000 0.000 0.267 335 V C -0.013 175.422 176.094 -1.097 0.000 1.047 335 V CA -0.492 61.083 62.300 -1.208 0.000 0.937 335 V CB 1.397 32.082 31.823 -1.897 0.000 0.999 335 V HN 0.473 nan 8.190 nan 0.000 0.472 336 V N 5.815 125.042 119.914 -1.144 0.000 2.348 336 V HA 0.335 4.455 4.120 0.000 0.000 0.270 336 V C 0.381 175.979 176.094 -0.826 0.000 1.037 336 V CA -0.349 61.385 62.300 -0.943 0.000 0.872 336 V CB 0.955 32.040 31.823 -1.230 0.000 1.002 336 V HN 0.947 nan 8.190 nan 0.000 0.464 337 N N 4.600 122.978 118.700 -0.535 0.000 2.664 337 N HA 0.379 5.119 4.740 0.000 0.000 0.257 337 N C -0.926 174.529 175.510 -0.092 0.000 1.108 337 N CA -0.315 52.565 53.050 -0.284 0.000 0.822 337 N CB 1.218 39.523 38.487 -0.302 0.000 1.199 337 N HN 0.756 nan 8.380 nan 0.000 0.529 338 E N 1.546 121.731 120.200 -0.025 0.000 2.340 338 E HA 0.254 4.604 4.350 0.000 0.000 0.273 338 E C -1.005 175.635 176.600 0.068 0.000 0.891 338 E CA -0.848 55.561 56.400 0.015 0.000 0.757 338 E CB 2.481 32.177 29.700 -0.006 0.000 1.231 338 E HN 0.265 nan 8.360 nan 0.000 0.439 339 K N 2.282 122.723 120.400 0.069 0.000 2.451 339 K HA 0.029 4.349 4.320 0.000 0.000 0.280 339 K C -0.517 176.129 176.600 0.077 0.000 1.020 339 K CA 0.695 57.029 56.287 0.080 0.000 1.008 339 K CB 0.199 32.740 32.500 0.069 0.000 0.917 339 K HN 0.459 nan 8.250 nan 0.000 0.478 340 D N 0.567 121.018 120.400 0.085 0.000 2.752 340 D HA 0.042 4.682 4.640 0.000 0.000 0.313 340 D C 0.327 176.679 176.300 0.087 0.000 1.225 340 D CA -0.869 53.181 54.000 0.084 0.000 0.976 340 D CB 0.275 41.132 40.800 0.094 0.000 1.443 340 D HN 0.340 nan 8.370 nan 0.000 0.515 341 K N -0.886 119.567 120.400 0.090 0.000 2.280 341 K HA -0.098 4.222 4.320 0.000 0.000 0.202 341 K C 0.071 176.740 176.600 0.116 0.000 1.047 341 K CA 1.262 57.606 56.287 0.094 0.000 0.942 341 K CB -0.174 32.382 32.500 0.092 0.000 0.739 341 K HN 0.242 nan 8.250 nan 0.000 0.457 342 D N -0.008 120.469 120.400 0.130 0.000 2.379 342 D HA 0.124 4.764 4.640 0.000 0.000 0.208 342 D C 1.022 177.408 176.300 0.142 0.000 1.065 342 D CA 0.924 55.031 54.000 0.177 0.000 0.848 342 D CB 1.320 42.252 40.800 0.219 0.000 0.949 342 D HN 0.512 nan 8.370 nan 0.000 0.509 343 G N 0.928 109.793 108.800 0.108 0.000 1.781 343 G HA2 -0.111 3.849 3.960 0.000 0.000 0.082 343 G HA3 -0.111 3.849 3.960 0.000 0.000 0.082 343 G C -1.045 173.920 174.900 0.109 0.000 0.919 343 G CA -0.703 44.461 45.100 0.105 0.000 1.202 343 G HN 0.134 nan 8.290 nan 0.000 0.393 344 E N 1.146 121.418 120.200 0.121 0.000 2.265 344 E HA 0.523 4.873 4.350 0.000 0.000 0.262 344 E C -0.155 176.549 176.600 0.172 0.000 0.889 344 E CA -0.147 56.351 56.400 0.163 0.000 0.789 344 E CB 2.056 31.907 29.700 0.253 0.000 1.221 344 E HN 0.706 nan 8.360 nan 0.000 0.414 345 S N 2.249 118.044 115.700 0.157 0.000 2.584 345 S HA 0.365 4.835 4.470 0.000 0.000 0.270 345 S C -0.273 174.476 174.600 0.249 0.000 1.346 345 S CA -0.374 57.947 58.200 0.202 0.000 1.018 345 S CB 0.578 63.942 63.200 0.272 0.000 0.899 345 S HN 0.506 nan 8.310 nan 0.000 0.542 346 F N 3.057 123.076 119.950 0.114 0.000 3.034 346 F HA 0.501 5.028 4.527 0.000 0.000 0.371 346 F C -1.210 174.609 175.800 0.032 0.000 1.233 346 F CA -0.701 57.269 58.000 -0.050 0.000 1.134 346 F CB 0.795 39.799 39.000 0.007 0.000 1.495 346 F HN 0.824 nan 8.300 nan 0.000 0.563 347 Y N 2.022 122.085 120.300 -0.395 0.000 2.655 347 Y HA 0.751 5.301 4.550 0.000 0.000 0.336 347 Y C -2.099 173.499 175.900 -0.502 0.000 1.154 347 Y CA -2.303 55.683 58.100 -0.190 0.000 1.055 347 Y CB 1.075 39.575 38.460 0.067 0.000 1.295 347 Y HN 0.192 nan 8.280 nan 0.000 0.465 348 F N 1.234 121.241 119.950 0.094 0.000 2.415 348 F HA 0.464 4.991 4.527 0.000 0.000 0.348 348 F C 0.011 175.916 175.800 0.175 0.000 1.119 348 F CA -0.503 57.492 58.000 -0.008 0.000 1.069 348 F CB 1.802 40.820 39.000 0.030 0.000 1.124 348 F HN 0.517 nan 8.300 nan 0.000 0.472 349 E N 2.643 122.964 120.200 0.201 0.000 2.129 349 E HA 0.511 4.861 4.350 0.000 0.000 0.268 349 E C -1.453 175.298 176.600 0.250 0.000 0.900 349 E CA -0.542 56.012 56.400 0.257 0.000 0.755 349 E CB 1.601 31.385 29.700 0.140 0.000 1.117 349 E HN 0.365 nan 8.360 nan 0.000 0.410 350 V N 5.379 125.502 119.914 0.347 0.000 2.378 350 V HA 0.179 4.299 4.120 0.000 0.000 0.288 350 V C 0.062 176.366 176.094 0.350 0.000 1.016 350 V CA -0.915 61.600 62.300 0.358 0.000 0.840 350 V CB 1.365 33.426 31.823 0.397 0.000 0.994 350 V HN 0.830 nan 8.190 nan 0.000 0.431 351 N N 4.214 123.064 118.700 0.251 0.000 2.721 351 N HA -0.227 4.513 4.740 0.000 0.000 0.249 351 N C 1.211 176.805 175.510 0.140 0.000 1.072 351 N CA 1.465 54.626 53.050 0.184 0.000 0.710 351 N CB -0.980 37.625 38.487 0.195 0.000 0.993 351 N HN 1.507 nan 8.380 nan 0.000 0.547 352 G N -1.278 107.608 108.800 0.144 0.000 2.179 352 G HA2 -0.315 3.646 3.960 0.000 0.000 0.260 352 G HA3 -0.315 3.646 3.960 0.000 0.000 0.260 352 G C 0.085 175.065 174.900 0.133 0.000 0.977 352 G CA 0.450 45.619 45.100 0.114 0.000 0.641 352 G HN 0.499 nan 8.290 nan 0.000 0.533 353 I N 1.896 122.576 120.570 0.185 0.000 2.378 353 I HA 0.338 4.508 4.170 0.000 0.000 0.291 353 I C -2.290 174.058 176.117 0.384 0.000 0.992 353 I CA -2.627 58.787 61.300 0.191 0.000 1.154 353 I CB 2.124 40.118 38.000 -0.010 0.000 1.315 353 I HN -0.200 nan 8.210 nan 0.000 0.448 354 P HA 0.073 nan 4.420 nan 0.000 0.267 354 P C -0.721 176.864 177.300 0.475 0.000 1.209 354 P CA 0.113 63.443 63.100 0.384 0.000 0.763 354 P CB 0.441 32.238 31.700 0.162 0.000 0.816 355 M N 5.527 125.391 119.600 0.440 0.000 2.125 355 M HA 0.371 4.851 4.480 0.000 0.000 0.321 355 M C -1.056 175.372 176.300 0.214 0.000 0.983 355 M CA -1.158 54.293 55.300 0.251 0.000 0.934 355 M CB 0.600 33.169 32.600 -0.052 0.000 1.542 355 M HN 0.137 nan 8.290 nan 0.000 0.424 356 F N 4.380 124.365 119.950 0.060 0.000 2.504 356 F HA 0.502 5.029 4.527 0.000 0.000 0.369 356 F C 0.009 175.766 175.800 -0.073 0.000 1.082 356 F CA -0.215 57.809 58.000 0.039 0.000 1.216 356 F CB 0.611 39.617 39.000 0.010 0.000 1.108 356 F HN 0.659 nan 8.300 nan 0.000 0.554 357 A N 6.792 129.364 122.820 -0.413 0.000 2.331 357 A HA 0.558 4.879 4.320 0.000 0.000 0.283 357 A C -0.751 176.597 177.584 -0.394 0.000 1.142 357 A CA -0.654 51.200 52.037 -0.304 0.000 0.812 357 A CB 0.446 19.404 19.000 -0.070 0.000 1.074 357 A HN 0.823 nan 8.150 nan 0.000 0.497 358 K N 1.707 121.846 120.400 -0.435 0.000 2.613 358 K HA 0.603 4.923 4.320 0.000 0.000 0.248 358 K C 0.001 176.186 176.600 -0.692 0.000 0.959 358 K CA -0.108 55.658 56.287 -0.869 0.000 0.855 358 K CB 2.159 33.783 32.500 -1.459 0.000 1.143 358 K HN 1.085 nan 8.250 nan 0.000 0.437 359 G N 1.069 109.663 108.800 -0.344 0.000 2.474 359 G HA2 0.710 4.670 3.960 0.000 0.000 0.234 359 G HA3 0.710 4.670 3.960 0.000 0.000 0.234 359 G C -1.790 172.948 174.900 -0.269 0.000 1.204 359 G CA -0.095 44.894 45.100 -0.185 0.000 0.939 359 G HN 0.645 nan 8.290 nan 0.000 0.491 360 A N -0.942 121.615 122.820 -0.439 0.000 2.610 360 A HA 0.755 5.075 4.320 0.000 0.000 0.291 360 A C -1.300 175.979 177.584 -0.509 0.000 1.086 360 A CA -0.699 50.871 52.037 -0.778 0.000 0.677 360 A CB 1.125 19.409 19.000 -1.192 0.000 1.278 360 A HN 0.548 nan 8.150 nan 0.000 0.414 361 N N 0.786 119.137 118.700 -0.581 0.000 2.444 361 N HA 0.321 5.061 4.740 0.000 0.000 0.271 361 N C -1.500 173.649 175.510 -0.602 0.000 1.069 361 N CA 0.249 52.997 53.050 -0.503 0.000 0.965 361 N CB 1.301 39.457 38.487 -0.552 0.000 1.092 361 N HN 0.642 nan 8.380 nan 0.000 0.476 362 Y N 3.801 123.812 120.300 -0.481 0.000 2.323 362 Y HA 0.464 5.014 4.550 0.000 0.000 0.331 362 Y C 0.030 175.670 175.900 -0.433 0.000 1.092 362 Y CA -0.763 57.067 58.100 -0.451 0.000 1.150 362 Y CB 0.601 38.903 38.460 -0.264 0.000 1.200 362 Y HN 0.448 nan 8.280 nan 0.000 0.472 363 I N 3.551 123.403 120.570 -1.198 0.000 3.133 363 I HA 0.757 4.928 4.170 0.000 0.000 0.311 363 I C -2.837 172.509 176.117 -1.285 0.000 1.072 363 I CA -3.264 57.419 61.300 -1.028 0.000 1.015 363 I CB 1.910 39.151 38.000 -1.265 0.000 1.233 363 I HN 0.374 nan 8.210 nan 0.000 0.473 364 P HA 0.124 nan 4.420 nan 0.000 0.269 364 P C -0.624 176.377 177.300 -0.498 0.000 1.215 364 P CA 0.020 62.732 63.100 -0.647 0.000 0.780 364 P CB 0.455 31.709 31.700 -0.742 0.000 0.898 365 Q N 0.334 119.964 119.800 -0.283 0.000 2.403 365 Q HA 0.068 4.408 4.340 0.000 0.000 0.203 365 Q C 0.055 176.065 176.000 0.017 0.000 0.932 365 Q CA 0.768 56.454 55.803 -0.196 0.000 0.945 365 Q CB 0.280 28.896 28.738 -0.203 0.000 1.045 365 Q HN 0.490 nan 8.270 nan 0.000 0.511 366 D N -2.407 118.060 120.400 0.110 0.000 2.685 366 D HA 0.189 4.829 4.640 0.000 0.000 0.236 366 D C -0.453 176.047 176.300 0.332 0.000 1.233 366 D CA -0.015 54.171 54.000 0.309 0.000 0.760 366 D CB 1.392 42.378 40.800 0.311 0.000 1.410 366 D HN -0.065 nan 8.370 nan 0.000 0.439 367 A N 2.259 125.285 122.820 0.342 0.000 1.972 367 A HA 0.027 4.348 4.320 0.000 0.000 0.219 367 A C 1.073 178.716 177.584 0.098 0.000 1.169 367 A CA 0.979 53.142 52.037 0.211 0.000 0.635 367 A CB -0.148 18.939 19.000 0.144 0.000 0.810 367 A HN 0.464 nan 8.150 nan 0.000 0.446 368 L N 0.666 121.978 121.223 0.149 0.000 2.313 368 L HA 0.292 4.632 4.340 0.000 0.000 0.273 368 L C 0.634 177.596 176.870 0.153 0.000 1.028 368 L CA -0.509 54.376 54.840 0.075 0.000 0.871 368 L CB 1.144 43.212 42.059 0.015 0.000 1.242 368 L HN 0.232 nan 8.230 nan 0.000 0.434 369 L N 3.142 124.478 121.223 0.188 0.000 2.013 369 L HA -0.150 4.191 4.340 0.000 0.000 0.212 369 L C -0.398 176.647 176.870 0.290 0.000 1.073 369 L CA 1.570 56.581 54.840 0.287 0.000 0.753 369 L CB -1.236 41.068 42.059 0.409 0.000 0.890 369 L HN 0.515 nan 8.230 nan 0.000 0.432 370 P HA -0.074 nan 4.420 nan 0.000 0.228 370 P C 0.757 178.143 177.300 0.143 0.000 1.151 370 P CA 0.901 64.111 63.100 0.184 0.000 0.770 370 P CB -0.092 31.676 31.700 0.113 0.000 0.786 371 N N -0.880 117.903 118.700 0.138 0.000 2.453 371 N HA -0.043 4.697 4.740 0.000 0.000 0.183 371 N C 0.101 175.693 175.510 0.136 0.000 1.041 371 N CA 0.484 53.610 53.050 0.126 0.000 0.900 371 N CB -0.539 38.028 38.487 0.133 0.000 0.961 371 N HN 0.031 nan 8.380 nan 0.000 0.443 372 V N 2.276 122.287 119.914 0.162 0.000 2.439 372 V HA 0.086 4.206 4.120 0.000 0.000 0.271 372 V C 0.815 177.040 176.094 0.219 0.000 1.040 372 V CA -0.422 61.957 62.300 0.131 0.000 1.002 372 V CB 0.173 32.035 31.823 0.066 0.000 1.000 372 V HN 0.238 nan 8.190 nan 0.000 0.477 373 T N 1.269 115.922 114.554 0.165 0.000 2.849 373 T HA 0.155 4.506 4.350 0.000 0.000 0.284 373 T C 1.407 176.277 174.700 0.283 0.000 1.004 373 T CA -0.025 62.187 62.100 0.187 0.000 1.021 373 T CB 1.129 70.069 68.868 0.120 0.000 1.013 373 T HN 0.561 nan 8.240 nan 0.000 0.527 374 T N 1.265 115.951 114.554 0.221 0.000 2.653 374 T HA -0.156 4.194 4.350 0.000 0.000 0.268 374 T C 1.780 176.599 174.700 0.199 0.000 1.035 374 T CA 2.140 64.362 62.100 0.203 0.000 1.154 374 T CB -0.529 68.401 68.868 0.103 0.000 0.862 374 T HN 0.784 nan 8.240 nan 0.000 0.441 375 E N 0.629 120.913 120.200 0.139 0.000 2.118 375 E HA -0.085 4.265 4.350 0.000 0.000 0.195 375 E C 2.428 179.093 176.600 0.109 0.000 0.992 375 E CA 0.974 57.439 56.400 0.108 0.000 0.804 375 E CB -0.145 29.601 29.700 0.078 0.000 0.741 375 E HN 0.397 nan 8.360 nan 0.000 0.458 376 R N -0.792 119.767 120.500 0.099 0.000 2.092 376 R HA -0.089 4.251 4.340 0.000 0.000 0.231 376 R C 1.987 178.302 176.300 0.024 0.000 1.119 376 R CA 1.136 57.249 56.100 0.021 0.000 0.970 376 R CB -0.289 29.978 30.300 -0.054 0.000 0.864 376 R HN 0.246 nan 8.270 nan 0.000 0.440 377 Y N 1.234 121.600 120.300 0.110 0.000 2.145 377 Y HA -0.248 4.302 4.550 0.000 0.000 0.286 377 Y C 2.518 178.526 175.900 0.180 0.000 1.145 377 Y CA 1.605 59.805 58.100 0.167 0.000 1.148 377 Y CB -0.230 38.326 38.460 0.161 0.000 0.981 377 Y HN 0.098 nan 8.280 nan 0.000 0.507 378 Q N -0.961 119.006 119.800 0.278 0.000 2.096 378 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 378 Q C 2.116 178.215 176.000 0.165 0.000 0.982 378 Q CA 2.119 58.034 55.803 0.187 0.000 0.850 378 Q CB -0.413 28.395 28.738 0.115 0.000 0.901 378 Q HN 0.411 nan 8.270 nan 0.000 0.422 379 T N 1.061 115.686 114.554 0.119 0.000 2.857 379 T HA -0.090 4.260 4.350 0.000 0.000 0.266 379 T C 1.653 176.389 174.700 0.060 0.000 1.048 379 T CA 0.562 62.712 62.100 0.084 0.000 1.139 379 T CB -0.134 68.767 68.868 0.055 0.000 0.874 379 T HN 0.070 nan 8.240 nan 0.000 0.455 380 L N 0.578 121.811 121.223 0.017 0.000 2.017 380 L HA 0.081 4.421 4.340 0.000 0.000 0.208 380 L C 1.872 178.620 176.870 -0.203 0.000 1.073 380 L CA 1.625 56.398 54.840 -0.112 0.000 0.745 380 L CB -0.997 40.968 42.059 -0.157 0.000 0.894 380 L HN 0.212 nan 8.230 nan 0.000 0.432 381 F N -0.413 119.490 119.950 -0.078 0.000 2.216 381 F HA -0.173 4.354 4.527 0.001 0.000 0.300 381 F C 2.735 178.515 175.800 -0.033 0.000 1.085 381 F CA 1.566 59.502 58.000 -0.106 0.000 1.326 381 F CB -0.389 38.518 39.000 -0.156 0.000 1.027 381 F HN 0.079 nan 8.300 nan 0.000 0.497 382 R N 0.645 121.238 120.500 0.154 0.000 2.083 382 R HA -0.179 4.161 4.340 0.000 0.000 0.237 382 R C 1.785 178.184 176.300 0.166 0.000 1.137 382 R CA 2.112 58.297 56.100 0.142 0.000 0.951 382 R CB -0.429 29.949 30.300 0.130 0.000 0.851 382 R HN 0.148 nan 8.270 nan 0.000 0.434 383 D N 0.327 120.811 120.400 0.141 0.000 2.123 383 D HA -0.202 4.438 4.640 0.000 0.000 0.196 383 D C 1.991 178.346 176.300 0.090 0.000 0.992 383 D CA 1.585 55.678 54.000 0.154 0.000 0.833 383 D CB -0.181 40.549 40.800 -0.117 0.000 0.954 383 D HN 0.365 nan 8.370 nan 0.000 0.455 384 M N 0.242 119.818 119.600 -0.039 0.000 2.099 384 M HA -0.133 4.347 4.480 0.000 0.000 0.262 384 M C 2.268 178.576 176.300 0.013 0.000 1.067 384 M CA 1.172 56.439 55.300 -0.054 0.000 1.124 384 M CB -0.201 32.266 32.600 -0.222 0.000 1.353 384 M HN -0.108 nan 8.290 nan 0.000 0.410 385 K N 0.756 121.186 120.400 0.049 0.000 2.057 385 K HA -0.184 4.136 4.320 0.000 0.000 0.207 385 K C 1.633 178.289 176.600 0.093 0.000 1.049 385 K CA 1.569 57.894 56.287 0.063 0.000 0.931 385 K CB 0.010 32.559 32.500 0.080 0.000 0.714 385 K HN 0.372 nan 8.250 nan 0.000 0.440 386 E N -0.569 119.726 120.200 0.158 0.000 2.274 386 E HA -0.103 4.247 4.350 0.000 0.000 0.194 386 E C 1.192 177.919 176.600 0.211 0.000 0.996 386 E CA 0.684 57.218 56.400 0.224 0.000 0.840 386 E CB 0.115 30.033 29.700 0.365 0.000 0.772 386 E HN 0.335 nan 8.360 nan 0.000 0.491 387 A N 1.045 123.933 122.820 0.114 0.000 2.337 387 A HA 0.031 4.351 4.320 0.000 0.000 0.227 387 A C 0.187 177.833 177.584 0.103 0.000 1.259 387 A CA -0.160 51.869 52.037 -0.014 0.000 0.870 387 A CB -0.050 18.729 19.000 -0.367 0.000 0.927 387 A HN 0.188 nan 8.150 nan 0.000 0.497 388 N N -1.430 117.326 118.700 0.093 0.000 2.829 388 N HA -0.145 4.595 4.740 0.000 0.000 0.250 388 N C -0.159 175.342 175.510 -0.015 0.000 1.090 388 N CA 1.201 54.292 53.050 0.069 0.000 0.781 388 N CB -1.703 36.860 38.487 0.127 0.000 1.124 388 N HN 0.626 nan 8.380 nan 0.000 0.559 389 M N 0.662 120.246 119.600 -0.028 0.000 2.241 389 M HA 0.103 4.583 4.480 0.000 0.000 0.335 389 M C 1.394 177.581 176.300 -0.189 0.000 1.122 389 M CA 0.313 55.517 55.300 -0.161 0.000 1.164 389 M CB 0.398 32.938 32.600 -0.101 0.000 1.459 389 M HN 0.175 nan 8.290 nan 0.000 0.461 390 N N 1.167 119.712 118.700 -0.257 0.000 2.160 390 N HA 0.294 5.034 4.740 0.000 0.000 0.226 390 N C -0.696 174.705 175.510 -0.182 0.000 1.256 390 N CA -0.249 52.668 53.050 -0.222 0.000 0.890 390 N CB 0.749 39.050 38.487 -0.309 0.000 1.116 390 N HN 0.694 nan 8.380 nan 0.000 0.517 391 M N 0.243 119.735 119.600 -0.181 0.000 2.414 391 M HA 0.490 4.970 4.480 0.000 0.000 0.287 391 M C -2.178 174.048 176.300 -0.122 0.000 1.181 391 M CA -0.867 54.349 55.300 -0.139 0.000 0.933 391 M CB 2.383 34.877 32.600 -0.178 0.000 1.732 391 M HN -0.164 nan 8.290 nan 0.000 0.486 392 V N 3.734 123.610 119.914 -0.064 0.000 2.789 392 V HA 0.700 4.820 4.120 0.000 0.000 0.311 392 V C -1.482 174.608 176.094 -0.007 0.000 1.073 392 V CA -0.626 61.626 62.300 -0.080 0.000 0.921 392 V CB 2.364 34.129 31.823 -0.097 0.000 1.009 392 V HN 0.979 nan 8.190 nan 0.000 0.426 393 R N 5.826 126.274 120.500 -0.088 0.000 2.255 393 R HA 0.567 4.907 4.340 0.000 0.000 0.326 393 R C -0.882 175.416 176.300 -0.002 0.000 0.986 393 R CA -0.560 55.468 56.100 -0.120 0.000 0.847 393 R CB 1.025 31.046 30.300 -0.466 0.000 1.111 393 R HN 0.778 nan 8.270 nan 0.000 0.452 394 I N 6.007 126.620 120.570 0.073 0.000 2.260 394 I HA 0.087 4.257 4.170 0.000 0.000 0.297 394 I C -0.033 176.170 176.117 0.144 0.000 1.143 394 I CA -0.470 60.882 61.300 0.087 0.000 1.271 394 I CB 0.056 38.025 38.000 -0.051 0.000 1.461 394 I HN 0.622 nan 8.210 nan 0.000 0.530 395 W N 6.045 127.319 121.300 -0.042 0.000 2.181 395 W HA 0.265 4.925 4.660 0.000 0.000 0.335 395 W C 1.311 177.813 176.519 -0.029 0.000 1.310 395 W CA -0.384 56.971 57.345 0.017 0.000 1.226 395 W CB 0.894 30.432 29.460 0.130 0.000 1.155 395 W HN 0.544 nan 8.180 nan 0.000 0.565 396 G N 2.884 111.305 108.800 -0.633 0.000 2.882 396 G HA2 0.025 3.985 3.960 0.000 0.000 0.206 396 G HA3 0.025 3.985 3.960 0.000 0.000 0.206 396 G C 0.984 175.287 174.900 -0.995 0.000 1.155 396 G CA 0.350 45.064 45.100 -0.644 0.000 0.800 396 G HN 0.861 nan 8.290 nan 0.000 0.524 397 G N -0.493 107.106 108.800 -2.002 0.000 3.189 397 G HA2 0.434 4.394 3.960 0.000 0.000 0.225 397 G HA3 0.434 4.394 3.960 0.000 0.000 0.225 397 G C 0.822 175.370 174.900 -0.587 0.000 1.159 397 G CA 0.641 44.845 45.100 -1.494 0.000 0.763 397 G HN 0.500 nan 8.290 nan 0.000 0.549 398 G N 0.137 108.689 108.800 -0.413 0.000 3.441 398 G HA2 0.502 4.462 3.960 0.000 0.000 0.195 398 G HA3 0.502 4.462 3.960 0.000 0.000 0.195 398 G C 0.121 174.961 174.900 -0.101 0.000 1.633 398 G CA 0.613 45.603 45.100 -0.184 0.000 0.895 398 G HN 0.600 nan 8.290 nan 0.000 0.654 399 T N -2.734 111.770 114.554 -0.084 0.000 2.916 399 T HA 0.550 4.900 4.350 0.000 0.000 0.292 399 T C -1.090 173.534 174.700 -0.126 0.000 1.055 399 T CA -0.720 61.387 62.100 0.012 0.000 1.009 399 T CB 1.531 70.620 68.868 0.368 0.000 1.118 399 T HN 0.272 nan 8.240 nan 0.000 0.497 400 Y N 1.818 122.133 120.300 0.025 0.000 2.677 400 Y HA 0.218 4.769 4.550 0.000 0.000 0.335 400 Y C 1.472 177.520 175.900 0.247 0.000 1.162 400 Y CA -0.179 57.987 58.100 0.109 0.000 1.483 400 Y CB 0.049 38.574 38.460 0.108 0.000 1.209 400 Y HN 0.531 nan 8.280 nan 0.000 0.528 401 E N 2.690 123.079 120.200 0.314 0.000 2.409 401 E HA -0.031 4.319 4.350 0.000 0.000 0.257 401 E C 0.046 176.890 176.600 0.408 0.000 1.150 401 E CA -0.263 56.251 56.400 0.190 0.000 0.942 401 E CB 0.409 29.754 29.700 -0.592 0.000 0.979 401 E HN 0.734 nan 8.360 nan 0.000 0.447 402 N N 1.143 119.994 118.700 0.253 0.000 2.354 402 N HA -0.024 4.716 4.740 0.000 0.000 0.246 402 N C 0.523 176.162 175.510 0.215 0.000 1.285 402 N CA -0.211 52.938 53.050 0.164 0.000 0.925 402 N CB 0.238 38.727 38.487 0.003 0.000 1.174 402 N HN 0.203 nan 8.380 nan 0.000 0.478 403 N N -0.423 118.356 118.700 0.132 0.000 2.166 403 N HA -0.126 4.614 4.740 0.000 0.000 0.186 403 N C 1.452 177.005 175.510 0.072 0.000 1.019 403 N CA 0.580 53.729 53.050 0.165 0.000 0.856 403 N CB -0.556 38.002 38.487 0.117 0.000 0.993 403 N HN 0.555 nan 8.380 nan 0.000 0.426 404 L N 0.589 121.770 121.223 -0.070 0.000 2.013 404 L HA -0.139 4.201 4.340 0.000 0.000 0.212 404 L C 2.079 178.789 176.870 -0.265 0.000 1.073 404 L CA 1.428 56.153 54.840 -0.193 0.000 0.753 404 L CB -1.036 40.821 42.059 -0.337 0.000 0.890 404 L HN 0.066 nan 8.230 nan 0.000 0.432 405 F N -0.567 119.137 119.950 -0.410 0.000 2.043 405 F HA -0.364 4.163 4.527 0.000 0.000 0.297 405 F C 2.139 177.613 175.800 -0.543 0.000 1.118 405 F CA 2.268 60.058 58.000 -0.351 0.000 1.202 405 F CB -0.582 38.218 39.000 -0.332 0.000 0.965 405 F HN 0.200 nan 8.300 nan 0.000 0.482 406 Y N 0.150 120.371 120.300 -0.130 0.000 2.293 406 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 406 Y C 2.376 177.973 175.900 -0.505 0.000 1.137 406 Y CA 1.148 58.977 58.100 -0.452 0.000 1.202 406 Y CB -0.849 37.050 38.460 -0.935 0.000 0.990 406 Y HN 0.071 nan 8.280 nan 0.000 0.537 407 D N 0.206 120.487 120.400 -0.198 0.000 2.117 407 D HA -0.146 4.494 4.640 0.000 0.000 0.197 407 D C 2.145 178.291 176.300 -0.256 0.000 0.987 407 D CA 1.166 55.123 54.000 -0.071 0.000 0.829 407 D CB -0.329 40.456 40.800 -0.026 0.000 0.961 407 D HN 0.317 nan 8.370 nan 0.000 0.460 408 L N 0.561 121.451 121.223 -0.556 0.000 2.093 408 L HA -0.103 4.237 4.340 0.000 0.000 0.208 408 L C 2.540 178.794 176.870 -1.028 0.000 1.085 408 L CA 0.986 55.297 54.840 -0.880 0.000 0.755 408 L CB -0.363 40.879 42.059 -1.361 0.000 0.904 408 L HN -0.038 nan 8.230 nan 0.000 0.435 409 A N -0.016 122.141 122.820 -1.106 0.000 1.902 409 A HA -0.240 4.080 4.320 0.000 0.000 0.217 409 A C 1.908 179.472 177.584 -0.032 0.000 1.181 409 A CA 1.999 53.794 52.037 -0.404 0.000 0.623 409 A CB -0.540 18.352 19.000 -0.180 0.000 0.818 409 A HN 0.346 nan 8.150 nan 0.000 0.443 410 D N -0.029 120.373 120.400 0.002 0.000 2.104 410 D HA -0.192 4.448 4.640 0.000 0.000 0.194 410 D C 1.957 178.471 176.300 0.357 0.000 0.994 410 D CA 1.769 55.924 54.000 0.259 0.000 0.830 410 D CB -0.457 40.449 40.800 0.176 0.000 0.959 410 D HN 0.881 nan 8.370 nan 0.000 0.452 411 E N -0.267 119.992 120.200 0.099 0.000 2.481 411 E HA -0.021 4.329 4.350 0.000 0.000 0.195 411 E C 0.924 177.521 176.600 -0.004 0.000 1.047 411 E CA 0.450 56.884 56.400 0.057 0.000 0.867 411 E CB -0.033 29.670 29.700 0.005 0.000 0.858 411 E HN 0.148 nan 8.360 nan 0.000 0.513 412 N N 0.488 119.178 118.700 -0.015 0.000 2.184 412 N HA 0.075 4.815 4.740 0.000 0.000 0.206 412 N C 0.482 175.969 175.510 -0.038 0.000 1.151 412 N CA 0.641 53.683 53.050 -0.013 0.000 0.878 412 N CB 1.456 39.972 38.487 0.048 0.000 1.014 412 N HN 0.352 nan 8.380 nan 0.000 0.512 413 G N 1.666 110.442 108.800 -0.041 0.000 2.198 413 G HA2 -0.217 3.743 3.960 0.000 0.000 0.257 413 G HA3 -0.217 3.743 3.960 0.000 0.000 0.257 413 G C -0.202 174.681 174.900 -0.029 0.000 1.042 413 G CA -0.190 44.743 45.100 -0.278 0.000 0.791 413 G HN 0.207 nan 8.290 nan 0.000 0.502 414 I N 0.528 121.199 120.570 0.169 0.000 2.312 414 I HA 0.403 4.574 4.170 0.000 0.000 0.290 414 I C 0.762 177.001 176.117 0.204 0.000 1.008 414 I CA -1.288 60.089 61.300 0.128 0.000 1.226 414 I CB 1.062 39.149 38.000 0.144 0.000 1.371 414 I HN -0.077 nan 8.210 nan 0.000 0.468 415 L N 6.908 128.214 121.223 0.138 0.000 2.461 415 L HA 0.200 4.541 4.340 0.000 0.000 0.272 415 L C 0.179 177.083 176.870 0.055 0.000 1.197 415 L CA 0.274 55.169 54.840 0.092 0.000 0.836 415 L CB 0.789 42.822 42.059 -0.044 0.000 1.105 415 L HN 0.254 nan 8.230 nan 0.000 0.477 416 V N 2.188 122.149 119.914 0.078 0.000 2.409 416 V HA 0.261 4.382 4.120 0.000 0.000 0.291 416 V C -0.848 175.343 176.094 0.162 0.000 1.020 416 V CA -0.723 61.656 62.300 0.132 0.000 0.848 416 V CB 1.587 33.526 31.823 0.193 0.000 0.990 416 V HN 0.715 nan 8.190 nan 0.000 0.430 417 W N 5.934 127.234 121.300 -0.000 0.000 2.316 417 W HA 0.572 5.233 4.660 0.000 0.000 0.308 417 W C -0.511 175.999 176.519 -0.015 0.000 1.106 417 W CA -1.115 56.251 57.345 0.036 0.000 1.262 417 W CB 1.385 30.924 29.460 0.133 0.000 1.233 417 W HN 0.636 nan 8.180 nan 0.000 0.447 418 Q N 4.783 124.685 119.800 0.171 0.000 2.372 418 Q HA 0.222 4.562 4.340 0.000 0.000 0.259 418 Q C -0.874 175.220 176.000 0.156 0.000 0.993 418 Q CA -0.159 55.662 55.803 0.030 0.000 0.854 418 Q CB 0.642 29.110 28.738 -0.450 0.000 1.231 418 Q HN 0.302 nan 8.270 nan 0.000 0.462 419 D N 2.985 123.544 120.400 0.265 0.000 2.372 419 D HA 0.124 4.764 4.640 0.000 0.000 0.243 419 D C -0.397 175.972 176.300 0.114 0.000 1.121 419 D CA 0.203 54.356 54.000 0.256 0.000 0.898 419 D CB 0.389 41.288 40.800 0.165 0.000 1.202 419 D HN 0.419 nan 8.370 nan 0.000 0.428 420 F N 0.841 121.033 119.950 0.403 0.000 2.490 420 F HA 0.068 4.595 4.527 0.000 0.000 0.336 420 F C 1.509 177.276 175.800 -0.054 0.000 1.178 420 F CA -0.292 57.931 58.000 0.372 0.000 1.301 420 F CB 0.368 39.750 39.000 0.636 0.000 1.175 420 F HN 0.072 nan 8.300 nan 0.000 0.593 421 M N 3.737 123.103 119.600 -0.390 0.000 3.706 421 M HA 0.175 4.655 4.480 0.000 0.000 0.204 421 M C -1.437 174.315 176.300 -0.912 0.000 1.455 421 M CA 0.361 55.191 55.300 -0.783 0.000 1.659 421 M CB -1.740 30.110 32.600 -1.250 0.000 1.076 421 M HN 0.282 nan 8.290 nan 0.000 0.577 422 F N 0.471 120.361 119.950 -0.101 0.000 2.529 422 F HA 0.725 5.252 4.527 0.000 0.000 0.320 422 F C -0.047 175.790 175.800 0.061 0.000 1.118 422 F CA -1.014 56.932 58.000 -0.090 0.000 0.915 422 F CB 1.858 40.833 39.000 -0.043 0.000 1.161 422 F HN 0.305 nan 8.300 nan 0.000 0.445 423 A N 1.229 124.308 122.820 0.432 0.000 2.456 423 A HA 0.579 4.899 4.320 0.000 0.000 0.288 423 A C -0.031 177.869 177.584 0.527 0.000 1.042 423 A CA -0.747 51.478 52.037 0.314 0.000 0.738 423 A CB 0.582 19.547 19.000 -0.058 0.000 1.266 423 A HN 1.098 nan 8.150 nan 0.000 0.407 424 C N 0.278 119.839 119.300 0.435 0.000 4.593 424 C HA -0.112 4.348 4.460 0.000 0.000 0.263 424 C C 0.864 176.069 174.990 0.357 0.000 1.378 424 C CA 1.540 60.819 59.018 0.437 0.000 1.666 424 C CB -2.412 25.676 27.740 0.580 0.000 1.603 424 C HN 1.669 nan 8.230 nan 0.000 0.704 425 T N 0.281 114.995 114.554 0.267 0.000 2.923 425 T HA 0.609 4.959 4.350 0.000 0.000 0.311 425 T C -2.771 172.015 174.700 0.145 0.000 1.183 425 T CA -1.070 61.116 62.100 0.144 0.000 1.020 425 T CB 2.413 71.225 68.868 -0.094 0.000 1.165 425 T HN 0.010 nan 8.240 nan 0.000 0.482 426 P HA 0.255 nan 4.420 nan 0.000 0.271 426 P C -1.246 176.095 177.300 0.068 0.000 1.233 426 P CA -0.097 63.170 63.100 0.278 0.000 0.789 426 P CB 0.503 32.344 31.700 0.236 0.000 0.951 427 Y N -0.609 119.783 120.300 0.154 0.000 2.598 427 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 427 Y C -1.660 174.080 175.900 -0.266 0.000 1.038 427 Y CA -2.269 55.726 58.100 -0.174 0.000 1.100 427 Y CB 0.847 39.356 38.460 0.082 0.000 1.281 427 Y HN 0.272 nan 8.280 nan 0.000 0.488 428 P HA 0.041 nan 4.420 nan 0.000 0.271 428 P C -0.331 176.874 177.300 -0.158 0.000 1.238 428 P CA 0.259 63.133 63.100 -0.376 0.000 0.794 428 P CB 0.513 31.772 31.700 -0.735 0.000 0.959 429 S N -2.646 113.078 115.700 0.040 0.000 3.093 429 S HA 0.095 4.565 4.470 0.000 0.000 0.251 429 S C -0.087 174.591 174.600 0.130 0.000 0.905 429 S CA -0.711 57.565 58.200 0.127 0.000 1.124 429 S CB -0.723 62.514 63.200 0.062 0.000 1.124 429 S HN 0.501 nan 8.310 nan 0.000 0.574 430 D N 1.557 122.049 120.400 0.153 0.000 2.357 430 D HA 0.191 4.831 4.640 0.000 0.000 0.242 430 D C -1.981 174.404 176.300 0.141 0.000 1.153 430 D CA -1.151 52.926 54.000 0.129 0.000 0.918 430 D CB 0.727 41.605 40.800 0.131 0.000 1.181 430 D HN -0.052 nan 8.370 nan 0.000 0.435 431 P HA -0.165 nan 4.420 nan 0.000 0.215 431 P C 1.467 178.813 177.300 0.077 0.000 1.157 431 P CA 1.788 64.924 63.100 0.060 0.000 0.874 431 P CB -0.002 31.721 31.700 0.037 0.000 0.790 432 T N -1.064 113.552 114.554 0.104 0.000 2.684 432 T HA -0.193 4.157 4.350 0.000 0.000 0.267 432 T C 1.477 176.265 174.700 0.146 0.000 1.036 432 T CA 1.262 63.428 62.100 0.111 0.000 1.148 432 T CB -1.069 67.874 68.868 0.125 0.000 0.863 432 T HN 0.019 nan 8.240 nan 0.000 0.436 433 F N 1.558 121.548 119.950 0.068 0.000 2.095 433 F HA -0.027 4.500 4.527 0.000 0.000 0.298 433 F C 1.969 177.793 175.800 0.041 0.000 1.104 433 F CA 1.143 59.194 58.000 0.085 0.000 1.232 433 F CB -0.460 38.603 39.000 0.105 0.000 0.987 433 F HN 0.059 nan 8.300 nan 0.000 0.475 434 L N -0.290 120.965 121.223 0.053 0.000 2.191 434 L HA -0.201 4.139 4.340 0.000 0.000 0.212 434 L C 2.375 179.161 176.870 -0.139 0.000 1.103 434 L CA 1.143 55.923 54.840 -0.099 0.000 0.769 434 L CB -0.626 41.405 42.059 -0.046 0.000 0.908 434 L HN 0.064 nan 8.230 nan 0.000 0.438 435 K N 0.565 120.920 120.400 -0.074 0.000 2.057 435 K HA -0.114 4.206 4.320 0.000 0.000 0.206 435 K C 2.151 178.698 176.600 -0.088 0.000 1.050 435 K CA 1.327 57.575 56.287 -0.064 0.000 0.935 435 K CB -0.087 32.403 32.500 -0.017 0.000 0.715 435 K HN 0.101 nan 8.250 nan 0.000 0.439 436 R N -0.458 119.978 120.500 -0.107 0.000 2.083 436 R HA -0.096 4.244 4.340 0.000 0.000 0.237 436 R C 2.138 178.340 176.300 -0.164 0.000 1.137 436 R CA 1.586 57.615 56.100 -0.117 0.000 0.951 436 R CB -0.538 29.683 30.300 -0.132 0.000 0.851 436 R HN 0.007 nan 8.270 nan 0.000 0.434 437 V N 1.014 120.760 119.914 -0.280 0.000 2.427 437 V HA -0.231 3.889 4.120 0.000 0.000 0.248 437 V C 2.266 178.259 176.094 -0.169 0.000 1.051 437 V CA 1.842 64.019 62.300 -0.204 0.000 1.048 437 V CB -0.485 31.169 31.823 -0.282 0.000 0.666 437 V HN 0.395 nan 8.190 nan 0.000 0.456 438 E N 0.436 120.527 120.200 -0.181 0.000 2.085 438 E HA -0.254 4.096 4.350 0.000 0.000 0.194 438 E C 2.255 178.768 176.600 -0.146 0.000 0.994 438 E CA 1.487 57.786 56.400 -0.168 0.000 0.801 438 E CB -0.243 29.378 29.700 -0.132 0.000 0.743 438 E HN 0.570 nan 8.360 nan 0.000 0.453 439 A N 1.514 124.268 122.820 -0.110 0.000 1.902 439 A HA -0.266 4.054 4.320 0.000 0.000 0.217 439 A C 2.088 179.619 177.584 -0.088 0.000 1.181 439 A CA 1.881 53.861 52.037 -0.096 0.000 0.623 439 A CB -0.723 18.233 19.000 -0.072 0.000 0.818 439 A HN 0.577 nan 8.150 nan 0.000 0.443 440 E N -0.026 120.136 120.200 -0.063 0.000 2.152 440 E HA 0.002 4.352 4.350 0.000 0.000 0.192 440 E C 1.994 178.529 176.600 -0.108 0.000 0.983 440 E CA 0.998 57.386 56.400 -0.021 0.000 0.818 440 E CB -0.346 29.419 29.700 0.110 0.000 0.758 440 E HN 0.450 nan 8.360 nan 0.000 0.467 441 A N 1.465 124.210 122.820 -0.126 0.000 1.855 441 A HA -0.095 4.225 4.320 0.000 0.000 0.215 441 A C 2.507 179.917 177.584 -0.290 0.000 1.191 441 A CA 1.544 53.487 52.037 -0.157 0.000 0.613 441 A CB -0.887 17.937 19.000 -0.293 0.000 0.829 441 A HN 0.194 nan 8.150 nan 0.000 0.442 442 V N -1.170 118.539 119.914 -0.342 0.000 2.332 442 V HA -0.306 3.814 4.120 0.000 0.000 0.248 442 V C 2.400 178.217 176.094 -0.460 0.000 1.055 442 V CA 2.302 64.256 62.300 -0.576 0.000 1.038 442 V CB -1.065 30.404 31.823 -0.589 0.000 0.651 442 V HN 0.723 nan 8.190 nan 0.000 0.450 443 Y N 1.563 121.646 120.300 -0.362 0.000 2.145 443 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 443 Y C 2.504 178.240 175.900 -0.272 0.000 1.145 443 Y CA 2.054 59.980 58.100 -0.290 0.000 1.148 443 Y CB -0.329 37.988 38.460 -0.238 0.000 0.981 443 Y HN 0.265 nan 8.280 nan 0.000 0.507 444 N N 0.325 118.802 118.700 -0.372 0.000 2.300 444 N HA -0.101 4.640 4.740 0.000 0.000 0.179 444 N C 1.925 177.268 175.510 -0.280 0.000 1.016 444 N CA 1.470 54.270 53.050 -0.416 0.000 0.876 444 N CB -0.083 38.077 38.487 -0.544 0.000 0.979 444 N HN 0.434 nan 8.380 nan 0.000 0.432 445 I N 1.392 121.761 120.570 -0.335 0.000 2.179 445 I HA -0.239 3.931 4.170 0.000 0.000 0.242 445 I C 2.450 178.411 176.117 -0.260 0.000 1.088 445 I CA 1.181 62.322 61.300 -0.266 0.000 1.357 445 I CB -0.103 37.622 38.000 -0.457 0.000 1.051 445 I HN 0.026 nan 8.210 nan 0.000 0.409 446 R N 0.091 120.347 120.500 -0.407 0.000 2.092 446 R HA -0.157 4.183 4.340 0.000 0.000 0.231 446 R C 2.432 178.520 176.300 -0.353 0.000 1.119 446 R CA 1.131 57.000 56.100 -0.385 0.000 0.970 446 R CB -0.341 29.727 30.300 -0.386 0.000 0.864 446 R HN 0.290 nan 8.270 nan 0.000 0.440 447 R N 0.795 121.030 120.500 -0.441 0.000 2.096 447 R HA -0.090 4.250 4.340 0.000 0.000 0.235 447 R C 1.614 177.770 176.300 -0.241 0.000 1.127 447 R CA 1.287 57.159 56.100 -0.380 0.000 0.968 447 R CB 0.028 29.995 30.300 -0.555 0.000 0.861 447 R HN 0.211 nan 8.270 nan 0.000 0.440 448 L N 0.294 121.395 121.223 -0.204 0.000 2.590 448 L HA 0.145 4.485 4.340 0.000 0.000 0.227 448 L C 2.052 178.857 176.870 -0.107 0.000 1.099 448 L CA -0.025 54.730 54.840 -0.142 0.000 0.872 448 L CB 0.047 41.933 42.059 -0.289 0.000 1.088 448 L HN 0.195 nan 8.230 nan 0.000 0.479 449 R N -0.581 119.827 120.500 -0.154 0.000 2.280 449 R HA -0.005 4.335 4.340 0.000 0.000 0.207 449 R C 0.870 177.065 176.300 -0.176 0.000 1.043 449 R CA 0.722 56.753 56.100 -0.116 0.000 1.006 449 R CB -0.371 29.808 30.300 -0.201 0.000 0.885 449 R HN 0.317 nan 8.270 nan 0.000 0.467 450 N N 0.638 119.114 118.700 -0.373 0.000 2.336 450 N HA -0.013 4.727 4.740 0.000 0.000 0.189 450 N C -0.442 174.776 175.510 -0.487 0.000 1.113 450 N CA 0.185 52.937 53.050 -0.498 0.000 0.858 450 N CB 0.127 38.048 38.487 -0.943 0.000 0.970 450 N HN 0.305 nan 8.380 nan 0.000 0.471 451 H N 0.704 119.625 119.070 -0.249 0.000 2.819 451 H HA 0.158 4.714 4.556 0.000 0.000 0.303 451 H C 1.138 176.289 175.328 -0.295 0.000 1.058 451 H CA -0.209 55.709 56.048 -0.217 0.000 1.471 451 H CB 1.373 31.050 29.762 -0.141 0.000 1.480 451 H HN 0.075 nan 8.280 nan 0.000 0.517 452 A N 3.541 126.177 122.820 -0.306 0.000 1.958 452 A HA -0.263 4.058 4.320 0.000 0.000 0.221 452 A C 2.398 179.507 177.584 -0.792 0.000 1.178 452 A CA 2.273 53.876 52.037 -0.723 0.000 0.642 452 A CB -0.564 17.663 19.000 -1.288 0.000 0.816 452 A HN 0.740 nan 8.150 nan 0.000 0.453 453 S N -1.141 114.308 115.700 -0.417 0.000 2.428 453 S HA 0.075 4.545 4.470 0.000 0.000 0.230 453 S C 0.713 175.256 174.600 -0.094 0.000 1.014 453 S CA 0.475 58.563 58.200 -0.187 0.000 0.957 453 S CB -0.652 62.578 63.200 0.050 0.000 0.784 453 S HN 0.430 nan 8.310 nan 0.000 0.499 454 L N 2.035 123.206 121.223 -0.086 0.000 2.500 454 L HA 0.511 4.851 4.340 0.000 0.000 0.272 454 L C 0.868 177.670 176.870 -0.113 0.000 1.149 454 L CA 0.173 54.947 54.840 -0.110 0.000 0.897 454 L CB 0.373 42.320 42.059 -0.186 0.000 1.178 454 L HN 0.217 nan 8.230 nan 0.000 0.473 455 A N 6.526 129.306 122.820 -0.065 0.000 2.108 455 A HA 0.473 4.793 4.320 0.000 0.000 0.206 455 A C 0.429 178.047 177.584 0.056 0.000 1.212 455 A CA 0.819 52.881 52.037 0.041 0.000 0.843 455 A CB 0.027 19.108 19.000 0.134 0.000 0.902 455 A HN 0.793 nan 8.150 nan 0.000 0.477 456 M N -4.528 115.022 119.600 -0.084 0.000 2.853 456 M HA 0.573 5.053 4.480 0.000 0.000 0.273 456 M C -2.395 173.741 176.300 -0.275 0.000 1.128 456 M CA -0.687 54.580 55.300 -0.054 0.000 0.814 456 M CB 0.731 33.361 32.600 0.050 0.000 1.667 456 M HN 0.044 nan 8.290 nan 0.000 0.519 457 W N 0.819 122.102 121.300 -0.029 0.000 2.689 457 W HA 0.793 5.453 4.660 -0.000 0.000 0.340 457 W C -1.015 175.439 176.519 -0.108 0.000 1.060 457 W CA -0.391 56.938 57.345 -0.028 0.000 1.218 457 W CB 2.038 31.596 29.460 0.163 0.000 1.410 457 W HN 0.892 nan 8.180 nan 0.000 0.528 458 C N 1.930 121.377 119.300 0.246 0.000 2.535 458 C HA 0.612 5.072 4.460 0.000 0.000 0.319 458 C C 1.459 176.676 174.990 0.378 0.000 1.171 458 C CA 0.029 59.108 59.018 0.101 0.000 1.394 458 C CB 0.520 28.456 27.740 0.328 0.000 1.990 458 C HN 0.988 nan 8.230 nan 0.000 0.466 459 G N 3.904 112.800 108.800 0.161 0.000 2.422 459 G HA2 0.056 4.016 3.960 0.000 0.000 0.218 459 G HA3 0.056 4.016 3.960 0.000 0.000 0.218 459 G C 0.249 175.429 174.900 0.467 0.000 1.146 459 G CA 1.386 46.825 45.100 0.564 0.000 0.769 459 G HN 1.149 nan 8.290 nan 0.000 0.547 460 N N -2.598 116.211 118.700 0.182 0.000 3.185 460 N HA 0.177 4.917 4.740 0.000 0.000 0.238 460 N C -1.654 173.940 175.510 0.141 0.000 1.451 460 N CA -0.915 52.206 53.050 0.119 0.000 0.888 460 N CB 0.513 38.818 38.487 -0.304 0.000 1.413 460 N HN -0.039 nan 8.380 nan 0.000 0.511 461 N N 0.163 118.951 118.700 0.145 0.000 2.420 461 N HA 0.251 4.991 4.740 0.000 0.000 0.249 461 N C -0.840 174.798 175.510 0.214 0.000 1.033 461 N CA -0.028 53.163 53.050 0.234 0.000 0.944 461 N CB 0.248 38.865 38.487 0.216 0.000 1.113 461 N HN 0.754 nan 8.380 nan 0.000 0.502 462 E N 1.445 121.728 120.200 0.137 0.000 3.286 462 E HA -0.265 4.086 4.350 0.000 0.000 0.292 462 E C 0.574 177.090 176.600 -0.140 0.000 0.928 462 E CA 0.524 56.936 56.400 0.020 0.000 0.982 462 E CB -1.298 28.524 29.700 0.202 0.000 1.500 462 E HN 0.676 nan 8.360 nan 0.000 0.441 463 I N -0.184 120.361 120.570 -0.042 0.000 2.286 463 I HA -0.219 3.952 4.170 0.000 0.000 0.245 463 I C 2.417 178.433 176.117 -0.168 0.000 1.104 463 I CA 0.937 62.222 61.300 -0.025 0.000 1.397 463 I CB -0.218 37.861 38.000 0.132 0.000 1.072 463 I HN 0.146 nan 8.210 nan 0.000 0.417 464 L N 1.274 122.382 121.223 -0.192 0.000 2.046 464 L HA -0.234 4.106 4.340 0.000 0.000 0.208 464 L C 2.482 179.159 176.870 -0.323 0.000 1.077 464 L CA 1.941 56.555 54.840 -0.377 0.000 0.747 464 L CB -0.671 41.277 42.059 -0.185 0.000 0.896 464 L HN 0.260 nan 8.230 nan 0.000 0.432 465 E N -0.632 119.408 120.200 -0.266 0.000 2.058 465 E HA -0.272 4.078 4.350 0.000 0.000 0.194 465 E C 2.097 178.257 176.600 -0.734 0.000 0.997 465 E CA 1.390 57.636 56.400 -0.257 0.000 0.801 465 E CB -0.235 29.357 29.700 -0.180 0.000 0.746 465 E HN 0.589 nan 8.360 nan 0.000 0.450 466 A N 0.983 123.100 122.820 -1.172 0.000 1.883 466 A HA -0.181 4.139 4.320 0.000 0.000 0.217 466 A C 2.254 179.268 177.584 -0.951 0.000 1.186 466 A CA 1.512 52.650 52.037 -1.499 0.000 0.624 466 A CB -0.815 17.656 19.000 -0.881 0.000 0.822 466 A HN 0.351 nan 8.150 nan 0.000 0.444 467 L N -1.087 119.839 121.223 -0.494 0.000 2.083 467 L HA -0.210 4.130 4.340 0.000 0.000 0.209 467 L C 2.585 179.280 176.870 -0.291 0.000 1.083 467 L CA 1.853 56.540 54.840 -0.256 0.000 0.752 467 L CB -0.307 41.636 42.059 -0.193 0.000 0.899 467 L HN 0.365 nan 8.230 nan 0.000 0.433 468 K N -1.605 118.515 120.400 -0.466 0.000 2.166 468 K HA -0.030 4.290 4.320 0.000 0.000 0.201 468 K C 1.199 177.333 176.600 -0.777 0.000 1.052 468 K CA 0.987 56.878 56.287 -0.660 0.000 0.969 468 K CB 0.204 32.131 32.500 -0.955 0.000 0.761 468 K HN 0.176 nan 8.250 nan 0.000 0.459 469 Y N -2.544 117.610 120.300 -0.243 0.000 2.471 469 Y HA 0.108 4.659 4.550 0.000 0.000 0.249 469 Y C 0.565 176.522 175.900 0.094 0.000 1.116 469 Y CA -0.625 57.428 58.100 -0.078 0.000 1.240 469 Y CB 0.602 39.057 38.460 -0.007 0.000 1.251 469 Y HN 0.076 nan 8.280 nan 0.000 0.527 470 W N 0.275 121.413 121.300 -0.269 0.000 3.239 470 W HA 0.549 5.209 4.660 0.000 0.000 0.348 470 W C 1.148 177.532 176.519 -0.225 0.000 1.183 470 W CA -0.109 57.085 57.345 -0.252 0.000 1.819 470 W CB -0.198 29.106 29.460 -0.260 0.000 1.091 470 W HN 0.120 nan 8.180 nan 0.000 0.629 471 G N 0.337 109.108 108.800 -0.048 0.000 2.165 471 G HA2 -0.316 3.644 3.960 0.000 0.000 0.226 471 G HA3 -0.316 3.644 3.960 0.000 0.000 0.226 471 G C 0.455 175.473 174.900 0.196 0.000 1.035 471 G CA 0.006 45.128 45.100 0.038 0.000 0.744 471 G HN 0.065 nan 8.290 nan 0.000 0.501 472 F N 0.299 120.324 119.950 0.125 0.000 2.367 472 F HA 0.191 4.718 4.527 0.000 0.000 0.298 472 F C 2.700 178.520 175.800 0.033 0.000 1.094 472 F CA 1.258 59.398 58.000 0.232 0.000 1.409 472 F CB -1.178 38.125 39.000 0.504 0.000 1.064 472 F HN 0.474 nan 8.300 nan 0.000 0.528 473 E N 1.083 121.183 120.200 -0.166 0.000 2.187 473 E HA -0.275 4.075 4.350 0.000 0.000 0.199 473 E C 2.147 178.666 176.600 -0.135 0.000 1.004 473 E CA 2.286 58.445 56.400 -0.402 0.000 0.813 473 E CB -1.152 nan 29.700 nan 0.000 0.736 473 E HN 0.502 nan 8.360 nan 0.000 0.468 474 K N -0.091 120.272 120.400 -0.063 0.000 2.356 474 K HA 0.165 4.485 4.320 0.000 0.000 0.195 474 K C 2.235 178.774 176.600 -0.103 0.000 1.037 474 K CA 0.990 57.240 56.287 -0.063 0.000 1.014 474 K CB -0.087 32.387 32.500 -0.044 0.000 0.815 474 K HN 0.282 nan 8.250 nan 0.000 0.507 475 K N -0.676 119.635 120.400 -0.149 0.000 2.361 475 K HA 0.347 4.667 4.320 0.000 0.000 0.196 475 K C -0.492 175.586 176.600 -0.870 0.000 1.039 475 K CA 0.246 56.231 56.287 -0.502 0.000 1.001 475 K CB -0.132 31.985 32.500 -0.638 0.000 0.795 475 K HN 0.525 nan 8.250 nan 0.000 0.495 476 F N 0.145 120.077 119.950 -0.030 0.000 2.576 476 F HA 0.318 4.845 4.527 0.000 0.000 0.313 476 F C 0.670 176.433 175.800 -0.061 0.000 1.078 476 F CA -1.622 56.326 58.000 -0.087 0.000 0.921 476 F CB 1.186 40.095 39.000 -0.151 0.000 1.232 476 F HN -0.106 nan 8.300 nan 0.000 0.459 477 T N -0.538 114.077 114.554 0.102 0.000 2.908 477 T HA 0.072 4.422 4.350 0.000 0.000 0.325 477 T C -2.023 172.726 174.700 0.083 0.000 1.092 477 T CA -0.869 61.266 62.100 0.058 0.000 1.125 477 T CB 0.777 69.666 68.868 0.035 0.000 1.016 477 T HN 0.349 nan 8.240 nan 0.000 0.550 478 P HA 0.000 nan 4.420 nan 0.000 0.218 478 P C 1.331 178.692 177.300 0.101 0.000 1.149 478 P CA 0.845 64.002 63.100 0.096 0.000 0.817 478 P CB 0.070 31.804 31.700 0.057 0.000 0.785 479 E N -0.594 119.637 120.200 0.052 0.000 2.058 479 E HA -0.128 4.223 4.350 0.000 0.000 0.194 479 E C 2.032 178.623 176.600 -0.015 0.000 0.997 479 E CA 1.050 57.467 56.400 0.027 0.000 0.801 479 E CB -1.245 28.465 29.700 0.017 0.000 0.746 479 E HN -0.005 nan 8.360 nan 0.000 0.450 480 V N 0.160 120.033 119.914 -0.069 0.000 2.307 480 V HA -0.258 3.862 4.120 0.000 0.000 0.245 480 V C 1.965 177.889 176.094 -0.283 0.000 1.045 480 V CA 1.879 64.011 62.300 -0.280 0.000 1.024 480 V CB -0.533 30.973 31.823 -0.528 0.000 0.651 480 V HN 0.331 nan 8.190 nan 0.000 0.449 481 Y N 0.744 120.925 120.300 -0.199 0.000 2.165 481 Y HA -0.272 4.279 4.550 0.000 0.000 0.286 481 Y C 2.720 178.581 175.900 -0.066 0.000 1.155 481 Y CA 1.923 59.950 58.100 -0.122 0.000 1.164 481 Y CB -0.133 38.339 38.460 0.018 0.000 0.978 481 Y HN 0.193 nan 8.280 nan 0.000 0.513 482 Q N -0.224 119.562 119.800 -0.022 0.000 2.170 482 Q HA -0.106 4.234 4.340 0.000 0.000 0.203 482 Q C 2.478 178.503 176.000 0.042 0.000 0.976 482 Q CA 1.290 57.082 55.803 -0.018 0.000 0.858 482 Q CB -0.910 27.899 28.738 0.119 0.000 0.907 482 Q HN 0.666 nan 8.270 nan 0.000 0.433 483 G N 0.470 109.263 108.800 -0.013 0.000 2.408 483 G HA2 -0.162 3.798 3.960 0.000 0.000 0.217 483 G HA3 -0.162 3.798 3.960 0.000 0.000 0.217 483 G C 1.570 176.455 174.900 -0.025 0.000 1.150 483 G CA 0.296 45.405 45.100 0.014 0.000 0.776 483 G HN 0.265 nan 8.290 nan 0.000 0.542 484 L N 0.136 121.257 121.223 -0.171 0.000 2.017 484 L HA -0.111 4.229 4.340 0.000 0.000 0.208 484 L C 3.107 179.905 176.870 -0.120 0.000 1.073 484 L CA 0.844 55.588 54.840 -0.161 0.000 0.745 484 L CB -0.425 41.440 42.059 -0.324 0.000 0.894 484 L HN 0.142 nan 8.230 nan 0.000 0.432 485 M N -0.770 118.654 119.600 -0.294 0.000 2.080 485 M HA -0.223 4.257 4.480 0.000 0.000 0.260 485 M C 2.255 178.472 176.300 -0.140 0.000 1.068 485 M CA 1.915 57.051 55.300 -0.274 0.000 1.109 485 M CB -1.521 30.821 32.600 -0.431 0.000 1.342 485 M HN 0.269 nan 8.290 nan 0.000 0.405 486 H N -0.520 118.522 119.070 -0.046 0.000 2.389 486 H HA -0.005 4.551 4.556 0.000 0.000 0.299 486 H C 2.189 177.528 175.328 0.019 0.000 1.081 486 H CA 1.572 57.615 56.048 -0.008 0.000 1.345 486 H CB -0.496 29.253 29.762 -0.022 0.000 1.393 486 H HN 0.509 nan 8.280 nan 0.000 0.520 487 G N -0.605 108.279 108.800 0.140 0.000 2.422 487 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 487 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 487 G C 1.496 176.448 174.900 0.087 0.000 1.140 487 G CA 0.655 45.814 45.100 0.098 0.000 0.775 487 G HN 0.438 nan 8.290 nan 0.000 0.545 488 Y N 1.929 122.271 120.300 0.070 0.000 2.081 488 Y HA -0.208 4.342 4.550 0.000 0.000 0.280 488 Y C 2.476 178.448 175.900 0.121 0.000 1.163 488 Y CA 2.284 60.495 58.100 0.186 0.000 1.135 488 Y CB -0.124 38.410 38.460 0.123 0.000 0.970 488 Y HN 0.205 nan 8.280 nan 0.000 0.498 489 D N -0.018 120.501 120.400 0.199 0.000 2.123 489 D HA -0.171 4.469 4.640 0.000 0.000 0.196 489 D C 2.041 178.295 176.300 -0.077 0.000 0.992 489 D CA 1.599 55.638 54.000 0.066 0.000 0.833 489 D CB -0.250 40.584 40.800 0.058 0.000 0.954 489 D HN 0.382 nan 8.370 nan 0.000 0.455 490 K N -0.387 119.965 120.400 -0.079 0.000 2.097 490 K HA -0.123 4.197 4.320 0.000 0.000 0.206 490 K C 1.834 178.270 176.600 -0.273 0.000 1.049 490 K CA 0.572 56.781 56.287 -0.130 0.000 0.933 490 K CB -0.032 32.422 32.500 -0.077 0.000 0.717 490 K HN 0.071 nan 8.250 nan 0.000 0.442 491 L N -0.669 120.286 121.223 -0.446 0.000 2.130 491 L HA 0.077 4.417 4.340 0.000 0.000 0.200 491 L C 1.526 177.852 176.870 -0.906 0.000 1.075 491 L CA 1.625 55.975 54.840 -0.817 0.000 0.768 491 L CB -0.241 41.074 42.059 -1.240 0.000 0.933 491 L HN -0.012 nan 8.230 nan 0.000 0.451 492 F N -0.432 119.237 119.950 -0.468 0.000 2.619 492 F HA 0.225 4.752 4.527 0.000 0.000 0.293 492 F C 2.081 177.803 175.800 -0.131 0.000 1.119 492 F CA 0.386 58.166 58.000 -0.366 0.000 1.445 492 F CB -0.185 38.394 39.000 -0.702 0.000 1.119 492 F HN -0.026 nan 8.300 nan 0.000 0.573 493 R N -0.501 119.967 120.500 -0.052 0.000 2.397 493 R HA 0.149 4.489 4.340 0.000 0.000 0.241 493 R C 0.853 177.091 176.300 -0.102 0.000 0.914 493 R CA 0.270 56.361 56.100 -0.016 0.000 1.071 493 R CB 0.430 30.720 30.300 -0.016 0.000 1.116 493 R HN 0.168 nan 8.270 nan 0.000 0.524 494 E N 0.088 120.181 120.200 -0.179 0.000 3.312 494 E HA 0.019 4.370 4.350 0.000 0.000 0.178 494 E C 1.507 177.948 176.600 -0.264 0.000 1.204 494 E CA -0.037 56.249 56.400 -0.191 0.000 1.335 494 E CB -0.504 29.107 29.700 -0.149 0.000 1.680 494 E HN -0.017 nan 8.360 nan 0.000 0.503 495 L N 2.061 123.103 121.223 -0.301 0.000 1.976 495 L HA -0.076 4.264 4.340 0.000 0.000 0.209 495 L C 2.314 178.925 176.870 -0.432 0.000 1.071 495 L CA 1.700 56.341 54.840 -0.331 0.000 0.746 495 L CB -0.850 40.999 42.059 -0.349 0.000 0.890 495 L HN 0.100 nan 8.230 nan 0.000 0.432 496 L N -0.040 120.850 121.223 -0.555 0.000 2.017 496 L HA -0.121 4.219 4.340 0.000 0.000 0.208 496 L C -0.142 176.215 176.870 -0.855 0.000 1.073 496 L CA 1.443 55.840 54.840 -0.739 0.000 0.745 496 L CB -2.244 39.356 42.059 -0.766 0.000 0.894 496 L HN 0.290 nan 8.230 nan 0.000 0.432 497 P HA -0.138 nan 4.420 nan 0.000 0.217 497 P C 1.773 178.772 177.300 -0.501 0.000 1.150 497 P CA 1.841 64.361 63.100 -0.967 0.000 0.832 497 P CB -0.098 31.210 31.700 -0.653 0.000 0.787 498 S N -1.336 114.138 115.700 -0.376 0.000 2.382 498 S HA -0.155 4.315 4.470 0.000 0.000 0.228 498 S C 2.195 176.652 174.600 -0.238 0.000 1.027 498 S CA 1.968 60.012 58.200 -0.261 0.000 0.991 498 S CB -1.976 61.097 63.200 -0.211 0.000 0.823 498 S HN 0.140 nan 8.310 nan 0.000 0.469 499 T N 1.233 115.628 114.554 -0.266 0.000 2.777 499 T HA 0.007 4.357 4.350 0.000 0.000 0.266 499 T C 1.729 176.356 174.700 -0.121 0.000 1.040 499 T CA 1.376 63.391 62.100 -0.141 0.000 1.141 499 T CB -0.582 68.157 68.868 -0.215 0.000 0.868 499 T HN 0.284 nan 8.240 nan 0.000 0.444 500 V N 1.655 121.401 119.914 -0.281 0.000 2.343 500 V HA -0.060 4.060 4.120 0.000 0.000 0.247 500 V C 3.127 179.129 176.094 -0.154 0.000 1.051 500 V CA 2.389 64.539 62.300 -0.249 0.000 1.036 500 V CB -1.144 30.519 31.823 -0.266 0.000 0.654 500 V HN 0.663 nan 8.190 nan 0.000 0.451 501 K N 0.094 120.384 120.400 -0.183 0.000 2.057 501 K HA -0.244 4.076 4.320 0.000 0.000 0.207 501 K C 2.055 178.550 176.600 -0.175 0.000 1.049 501 K CA 2.006 58.203 56.287 -0.149 0.000 0.931 501 K CB -0.672 31.733 32.500 -0.158 0.000 0.714 501 K HN 0.683 nan 8.250 nan 0.000 0.440 502 E N -1.774 118.279 120.200 -0.246 0.000 2.072 502 E HA -0.022 4.328 4.350 0.000 0.000 0.190 502 E C 1.264 177.531 176.600 -0.554 0.000 0.982 502 E CA 1.147 57.277 56.400 -0.449 0.000 0.803 502 E CB 0.008 29.324 29.700 -0.640 0.000 0.755 502 E HN 0.630 nan 8.360 nan 0.000 0.453 503 F N -0.558 119.283 119.950 -0.182 0.000 2.704 503 F HA 0.245 4.772 4.527 -0.000 0.000 0.304 503 F C 0.359 176.011 175.800 -0.247 0.000 1.094 503 F CA -0.154 57.711 58.000 -0.226 0.000 1.275 503 F CB 1.093 39.933 39.000 -0.267 0.000 1.073 503 F HN -0.129 nan 8.300 nan 0.000 0.586 504 D N -0.902 119.491 120.400 -0.011 0.000 3.118 504 D HA 0.156 4.796 4.640 0.000 0.000 0.286 504 D C 0.500 176.840 176.300 0.067 0.000 1.255 504 D CA 0.190 54.214 54.000 0.039 0.000 0.748 504 D CB 0.291 41.150 40.800 0.099 0.000 1.332 504 D HN -0.128 nan 8.370 nan 0.000 0.575 505 S N -0.393 115.335 115.700 0.046 0.000 2.515 505 S HA -0.052 4.419 4.470 0.000 0.000 0.231 505 S C 1.006 175.632 174.600 0.043 0.000 0.987 505 S CA 0.378 58.589 58.200 0.017 0.000 0.936 505 S CB 0.362 63.553 63.200 -0.016 0.000 0.766 505 S HN 0.356 nan 8.310 nan 0.000 0.528 506 D N 0.928 121.372 120.400 0.073 0.000 2.340 506 D HA 0.150 4.791 4.640 0.000 0.000 0.217 506 D C 0.409 176.763 176.300 0.089 0.000 1.081 506 D CA 0.140 54.178 54.000 0.062 0.000 0.842 506 D CB 0.398 41.224 40.800 0.044 0.000 0.934 506 D HN 0.303 nan 8.370 nan 0.000 0.511 507 R N 0.332 120.915 120.500 0.138 0.000 2.589 507 R HA 0.314 4.654 4.340 0.000 0.000 0.293 507 R C -0.456 175.987 176.300 0.238 0.000 0.963 507 R CA -0.873 55.344 56.100 0.196 0.000 0.905 507 R CB 1.736 32.210 30.300 0.291 0.000 1.144 507 R HN -0.107 nan 8.270 nan 0.000 0.459 508 F N 2.987 122.962 119.950 0.042 0.000 2.529 508 F HA 0.101 4.628 4.527 0.000 0.000 0.365 508 F C -0.720 175.161 175.800 0.136 0.000 1.102 508 F CA 0.077 58.073 58.000 -0.007 0.000 1.271 508 F CB 0.321 39.198 39.000 -0.204 0.000 1.120 508 F HN 0.408 nan 8.300 nan 0.000 0.579 509 Y N 6.140 126.007 120.300 -0.722 0.000 2.446 509 Y HA 0.629 5.180 4.550 0.000 0.000 0.345 509 Y C -1.792 173.506 175.900 -1.003 0.000 0.984 509 Y CA -1.086 56.695 58.100 -0.531 0.000 1.058 509 Y CB 1.605 39.959 38.460 -0.176 0.000 1.220 509 Y HN 0.570 nan 8.280 nan 0.000 0.455 510 V N 6.346 125.521 119.914 -1.232 0.000 2.789 510 V HA 0.265 4.385 4.120 0.000 0.000 0.311 510 V C 0.068 175.568 176.094 -0.990 0.000 1.073 510 V CA -0.394 61.379 62.300 -0.880 0.000 0.921 510 V CB 1.469 33.063 31.823 -0.382 0.000 1.009 510 V HN 1.067 nan 8.190 nan 0.000 0.426 511 H N 3.442 122.251 119.070 -0.434 0.000 2.491 511 H HA 0.352 4.908 4.556 0.000 0.000 0.290 511 H C 0.758 176.071 175.328 -0.026 0.000 1.050 511 H CA 1.120 57.096 56.048 -0.120 0.000 1.309 511 H CB 0.174 30.070 29.762 0.222 0.000 1.392 511 H HN 0.572 nan 8.280 nan 0.000 0.554 512 S N -1.208 114.225 115.700 -0.445 0.000 2.587 512 S HA 0.489 4.959 4.470 0.000 0.000 0.269 512 S C -1.612 172.975 174.600 -0.022 0.000 1.154 512 S CA -0.484 57.627 58.200 -0.148 0.000 0.824 512 S CB 1.626 64.796 63.200 -0.049 0.000 1.118 512 S HN 0.370 nan 8.310 nan 0.000 0.462 513 S N 2.886 118.656 115.700 0.118 0.000 2.605 513 S HA 0.722 5.192 4.470 0.000 0.000 0.308 513 S C -2.964 171.549 174.600 -0.145 0.000 1.113 513 S CA -1.520 56.792 58.200 0.188 0.000 1.049 513 S CB 1.491 65.042 63.200 0.585 0.000 1.001 513 S HN 0.517 nan 8.310 nan 0.000 0.480 514 P HA 0.204 nan 4.420 nan 0.000 0.284 514 P C -0.009 177.229 177.300 -0.103 0.000 1.253 514 P CA -0.457 62.502 63.100 -0.234 0.000 0.800 514 P CB 0.442 31.985 31.700 -0.263 0.000 0.961 515 Y N 2.506 122.749 120.300 -0.094 0.000 2.475 515 Y HA 0.183 4.733 4.550 0.000 0.000 0.289 515 Y C 1.402 177.313 175.900 0.018 0.000 1.121 515 Y CA 0.748 58.772 58.100 -0.126 0.000 1.257 515 Y CB -0.481 37.871 38.460 -0.179 0.000 1.026 515 Y HN 0.234 nan 8.280 nan 0.000 0.555 516 L N -0.468 120.618 121.223 -0.229 0.000 2.658 516 L HA 0.627 4.968 4.340 0.000 0.000 0.222 516 L C 1.015 177.871 176.870 -0.023 0.000 1.033 516 L CA 0.343 55.159 54.840 -0.041 0.000 0.949 516 L CB -0.348 41.690 42.059 -0.035 0.000 1.698 516 L HN 0.043 nan 8.230 nan 0.000 0.498 517 A N 1.556 124.310 122.820 -0.110 0.000 2.498 517 A HA 0.215 4.535 4.320 0.000 0.000 0.239 517 A C -0.265 177.366 177.584 0.080 0.000 1.068 517 A CA 0.202 52.266 52.037 0.044 0.000 0.766 517 A CB -0.196 18.852 19.000 0.081 0.000 1.003 517 A HN 0.494 nan 8.150 nan 0.000 0.497 518 N N 2.573 121.343 118.700 0.117 0.000 2.295 518 N HA 0.139 4.879 4.740 0.000 0.000 0.293 518 N C 0.801 176.460 175.510 0.249 0.000 1.040 518 N CA -0.664 52.388 53.050 0.003 0.000 0.840 518 N CB 0.980 39.157 38.487 -0.516 0.000 1.468 518 N HN 0.877 nan 8.380 nan 0.000 0.478 519 W N 3.298 124.735 121.300 0.227 0.000 2.468 519 W HA 0.090 4.750 4.660 0.000 0.000 0.262 519 W C 0.490 177.268 176.519 0.432 0.000 1.241 519 W CA 0.764 58.303 57.345 0.325 0.000 1.232 519 W CB -0.493 29.107 29.460 0.233 0.000 1.124 519 W HN 0.554 nan 8.180 nan 0.000 0.597 520 G N 1.296 109.978 108.800 -0.196 0.000 3.088 520 G HA2 0.032 3.992 3.960 0.000 0.000 0.217 520 G HA3 0.032 3.992 3.960 0.000 0.000 0.217 520 G C 0.730 175.534 174.900 -0.159 0.000 1.159 520 G CA -0.420 44.491 45.100 -0.315 0.000 0.760 520 G HN -0.040 nan 8.290 nan 0.000 0.550 521 R N 0.487 120.913 120.500 -0.123 0.000 2.402 521 R HA 0.234 4.574 4.340 0.000 0.000 0.290 521 R C -2.313 173.635 176.300 -0.586 0.000 1.321 521 R CA -1.637 54.311 56.100 -0.254 0.000 1.283 521 R CB 1.778 31.953 30.300 -0.208 0.000 1.111 521 R HN -0.001 nan 8.270 nan 0.000 0.578 522 P HA -0.184 nan 4.420 nan 0.000 0.221 522 P C 1.168 177.795 177.300 -1.121 0.000 1.145 522 P CA 1.013 62.991 63.100 -1.871 0.000 0.795 522 P CB 0.368 31.353 31.700 -1.191 0.000 0.775 523 E N 0.080 119.947 120.200 -0.555 0.000 2.427 523 E HA -0.077 4.273 4.350 0.000 0.000 0.196 523 E C 1.271 177.762 176.600 -0.181 0.000 1.028 523 E CA 1.220 57.452 56.400 -0.280 0.000 0.864 523 E CB -0.777 28.827 29.700 -0.160 0.000 0.813 523 E HN 0.316 nan 8.360 nan 0.000 0.514 524 S N -0.935 114.625 115.700 -0.232 0.000 2.535 524 S HA 0.048 4.518 4.470 0.000 0.000 0.214 524 S C 1.153 175.838 174.600 0.141 0.000 0.980 524 S CA -0.549 57.635 58.200 -0.026 0.000 0.907 524 S CB -0.573 62.630 63.200 0.003 0.000 0.790 524 S HN 0.224 nan 8.310 nan 0.000 0.510 525 W N 2.305 123.641 121.300 0.060 0.000 2.519 525 W HA 0.368 5.028 4.660 0.000 0.000 0.266 525 W C 2.149 178.730 176.519 0.103 0.000 1.253 525 W CA 0.069 57.464 57.345 0.083 0.000 1.274 525 W CB -1.299 28.235 29.460 0.123 0.000 1.114 525 W HN 0.518 nan 8.180 nan 0.000 0.596 526 G N -0.430 108.559 108.800 0.315 0.000 2.848 526 G HA2 -0.021 3.939 3.960 0.000 0.000 0.208 526 G HA3 -0.021 3.939 3.960 0.000 0.000 0.208 526 G C 0.146 175.110 174.900 0.106 0.000 1.152 526 G CA 0.349 45.581 45.100 0.220 0.000 0.789 526 G HN 0.024 nan 8.290 nan 0.000 0.531 527 T N 1.178 115.789 114.554 0.094 0.000 2.947 527 T HA 0.572 4.922 4.350 0.000 0.000 0.337 527 T C 0.745 175.386 174.700 -0.098 0.000 1.139 527 T CA 0.307 62.438 62.100 0.052 0.000 0.992 527 T CB 0.966 69.871 68.868 0.062 0.000 1.043 527 T HN 0.846 nan 8.240 nan 0.000 0.498 528 G N 4.055 112.857 108.800 0.003 0.000 2.593 528 G HA2 -0.177 3.783 3.960 0.000 0.000 0.237 528 G HA3 -0.177 3.783 3.960 0.000 0.000 0.237 528 G C -0.610 174.164 174.900 -0.210 0.000 1.312 528 G CA -0.291 44.741 45.100 -0.113 0.000 0.896 528 G HN 0.838 nan 8.290 nan 0.000 0.574 529 D N -0.096 120.015 120.400 -0.482 0.000 2.313 529 D HA 0.562 5.202 4.640 0.000 0.000 0.247 529 D C -0.071 176.174 176.300 -0.091 0.000 1.094 529 D CA 0.259 54.093 54.000 -0.276 0.000 0.925 529 D CB 1.466 41.996 40.800 -0.450 0.000 1.188 529 D HN 0.485 nan 8.370 nan 0.000 0.430 530 S N -0.172 115.566 115.700 0.063 0.000 2.503 530 S HA 0.253 4.723 4.470 0.000 0.000 0.301 530 S C -0.665 174.106 174.600 0.285 0.000 1.087 530 S CA -0.707 57.557 58.200 0.107 0.000 1.042 530 S CB 0.979 64.170 63.200 -0.014 0.000 1.043 530 S HN 0.395 nan 8.310 nan 0.000 0.489 531 H N 2.640 121.781 119.070 0.118 0.000 2.741 531 H HA 0.201 4.757 4.556 0.000 0.000 0.261 531 H C -0.252 175.126 175.328 0.084 0.000 1.365 531 H CA -0.590 55.545 56.048 0.144 0.000 1.266 531 H CB 0.314 30.312 29.762 0.393 0.000 1.485 531 H HN 0.328 nan 8.280 nan 0.000 0.529 532 N N 3.044 121.711 118.700 -0.055 0.000 2.508 532 N HA -0.048 4.692 4.740 0.000 0.000 0.253 532 N C -0.353 174.960 175.510 -0.328 0.000 1.145 532 N CA -0.315 52.667 53.050 -0.113 0.000 0.973 532 N CB -0.002 38.347 38.487 -0.230 0.000 1.305 532 N HN 0.559 nan 8.380 nan 0.000 0.506 533 W N 1.880 122.984 121.300 -0.327 0.000 3.305 533 W HA 0.356 5.016 4.660 0.000 0.000 0.392 533 W C 1.850 177.727 176.519 -1.070 0.000 1.121 533 W CA -0.645 56.351 57.345 -0.582 0.000 1.909 533 W CB 0.359 29.514 29.460 -0.510 0.000 1.065 533 W HN 0.598 nan 8.180 nan 0.000 0.714 534 G N 0.459 108.920 108.800 -0.565 0.000 2.446 534 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 534 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 534 G C 0.662 175.532 174.900 -0.051 0.000 1.168 534 G CA 0.539 45.500 45.100 -0.232 0.000 0.771 534 G HN -0.029 nan 8.290 nan 0.000 0.551 535 V N 0.914 120.855 119.914 0.045 0.000 2.637 535 V HA 0.237 4.357 4.120 0.000 0.000 0.296 535 V C 0.846 177.150 176.094 0.351 0.000 1.046 535 V CA 0.137 62.551 62.300 0.190 0.000 1.066 535 V CB 0.497 32.447 31.823 0.211 0.000 0.968 535 V HN 0.622 nan 8.190 nan 0.000 0.483 536 W N 3.703 125.100 121.300 0.161 0.000 1.401 536 W HA -0.389 4.272 4.660 0.000 0.000 0.255 536 W C 1.385 177.888 176.519 -0.026 0.000 1.582 536 W CA 1.773 59.146 57.345 0.047 0.000 1.965 536 W CB -1.441 28.121 29.460 0.171 0.000 1.231 536 W HN 0.584 nan 8.180 nan 0.000 0.440 537 Y N 1.244 121.633 120.300 0.149 0.000 2.274 537 Y HA 0.037 4.587 4.550 0.000 0.000 0.290 537 Y C 2.628 178.490 175.900 -0.064 0.000 1.145 537 Y CA 2.582 60.652 58.100 -0.050 0.000 1.203 537 Y CB -1.234 37.219 38.460 -0.011 0.000 0.984 537 Y HN 0.270 nan 8.280 nan 0.000 0.533 538 G N -0.887 107.876 108.800 -0.062 0.000 3.042 538 G HA2 0.009 3.969 3.960 0.000 0.000 0.212 538 G HA3 0.009 3.969 3.960 0.000 0.000 0.212 538 G C 0.711 175.693 174.900 0.136 0.000 1.166 538 G CA -0.008 45.179 45.100 0.145 0.000 0.767 538 G HN 0.317 nan 8.290 nan 0.000 0.546 539 K N -0.589 119.860 120.400 0.081 0.000 3.104 539 K HA -0.223 4.097 4.320 0.000 0.000 0.285 539 K C 0.294 176.872 176.600 -0.036 0.000 1.136 539 K CA 0.865 57.178 56.287 0.043 0.000 0.842 539 K CB -1.023 31.443 32.500 -0.058 0.000 1.217 539 K HN 0.413 nan 8.250 nan 0.000 0.467 540 K N 1.501 121.941 120.400 0.067 0.000 2.414 540 K HA 0.065 4.385 4.320 0.000 0.000 0.272 540 K C -2.073 174.497 176.600 -0.049 0.000 0.993 540 K CA -1.129 55.175 56.287 0.028 0.000 0.964 540 K CB 0.168 32.725 32.500 0.095 0.000 0.925 540 K HN -0.037 nan 8.250 nan 0.000 0.487 541 P HA 0.008 nan 4.420 nan 0.000 0.274 541 P C 0.145 177.422 177.300 -0.038 0.000 1.237 541 P CA -0.194 62.813 63.100 -0.154 0.000 0.793 541 P CB 0.387 32.028 31.700 -0.097 0.000 0.977 542 F N 0.492 120.500 119.950 0.097 0.000 2.202 542 F HA -0.177 4.350 4.527 0.000 0.000 0.301 542 F C 2.170 178.018 175.800 0.079 0.000 1.082 542 F CA 1.678 59.717 58.000 0.066 0.000 1.313 542 F CB -1.204 37.773 39.000 -0.038 0.000 1.024 542 F HN 0.319 nan 8.300 nan 0.000 0.495 543 E N -0.057 120.246 120.200 0.172 0.000 2.209 543 E HA -0.180 4.171 4.350 0.000 0.000 0.196 543 E C 2.325 179.018 176.600 0.155 0.000 0.993 543 E CA 1.298 57.789 56.400 0.152 0.000 0.819 543 E CB -0.594 29.144 29.700 0.063 0.000 0.745 543 E HN 0.399 nan 8.360 nan 0.000 0.477 544 S N 0.296 116.067 115.700 0.119 0.000 2.440 544 S HA -0.154 4.316 4.470 0.000 0.000 0.238 544 S C 1.865 176.507 174.600 0.071 0.000 1.010 544 S CA 0.766 59.024 58.200 0.097 0.000 0.972 544 S CB -0.458 62.796 63.200 0.091 0.000 0.774 544 S HN 0.253 nan 8.310 nan 0.000 0.501 545 L N 1.275 122.550 121.223 0.087 0.000 2.353 545 L HA -0.065 4.275 4.340 0.000 0.000 0.220 545 L C 1.996 178.840 176.870 -0.042 0.000 1.133 545 L CA 1.068 55.906 54.840 -0.003 0.000 0.798 545 L CB -0.591 41.450 42.059 -0.030 0.000 0.922 545 L HN 0.271 nan 8.230 nan 0.000 0.445 546 D N -0.665 119.742 120.400 0.012 0.000 2.224 546 D HA -0.106 4.534 4.640 0.000 0.000 0.205 546 D C 2.130 178.430 176.300 -0.000 0.000 0.965 546 D CA 1.895 55.882 54.000 -0.023 0.000 0.852 546 D CB 0.148 40.972 40.800 0.041 0.000 0.947 546 D HN 0.436 nan 8.370 nan 0.000 0.494 547 T N -2.481 112.096 114.554 0.038 0.000 3.000 547 T HA 0.029 4.379 4.350 0.000 0.000 0.248 547 T C 0.562 175.322 174.700 0.099 0.000 1.034 547 T CA -0.200 61.939 62.100 0.065 0.000 1.060 547 T CB 0.249 69.174 68.868 0.096 0.000 0.983 547 T HN -0.253 nan 8.240 nan 0.000 0.482 548 D N 2.245 122.672 120.400 0.045 0.000 2.639 548 D HA 0.432 5.072 4.640 0.000 0.000 0.233 548 D C -0.561 175.630 176.300 -0.182 0.000 1.161 548 D CA -0.143 53.815 54.000 -0.070 0.000 1.003 548 D CB 0.109 40.714 40.800 -0.325 0.000 1.034 548 D HN 0.432 nan 8.370 nan 0.000 0.514 549 L N 2.594 123.841 121.223 0.040 0.000 2.334 549 L HA 0.470 4.810 4.340 0.000 0.000 0.277 549 L C -1.947 175.041 176.870 0.198 0.000 1.075 549 L CA -1.454 53.441 54.840 0.091 0.000 0.804 549 L CB 1.338 43.464 42.059 0.111 0.000 1.174 549 L HN 0.063 nan 8.230 nan 0.000 0.438 550 P HA 0.394 nan 4.420 nan 0.000 0.288 550 P C -0.512 176.848 177.300 0.101 0.000 1.300 550 P CA -0.787 62.361 63.100 0.078 0.000 0.910 550 P CB 1.690 33.311 31.700 -0.132 0.000 1.256 551 R N -0.196 120.313 120.500 0.015 0.000 2.193 551 R HA 0.213 4.553 4.340 0.000 0.000 0.213 551 R C 0.191 176.591 176.300 0.166 0.000 1.055 551 R CA 0.708 56.783 56.100 -0.042 0.000 0.995 551 R CB -0.822 29.471 30.300 -0.011 0.000 0.893 551 R HN 0.572 nan 8.270 nan 0.000 0.459 552 F N -0.253 119.679 119.950 -0.030 0.000 2.651 552 F HA 0.268 4.795 4.527 0.000 0.000 0.327 552 F C -1.315 174.426 175.800 -0.098 0.000 1.133 552 F CA -1.196 56.796 58.000 -0.014 0.000 1.076 552 F CB 1.256 40.371 39.000 0.191 0.000 1.315 552 F HN -0.243 nan 8.300 nan 0.000 0.499 553 M N 5.217 124.601 119.600 -0.360 0.000 2.094 553 M HA 0.264 4.744 4.480 0.000 0.000 0.348 553 M C 0.341 176.636 176.300 -0.008 0.000 1.267 553 M CA 0.308 55.457 55.300 -0.252 0.000 1.125 553 M CB 0.788 33.011 32.600 -0.629 0.000 1.527 553 M HN 0.534 nan 8.290 nan 0.000 0.447 554 S N 2.492 118.320 115.700 0.212 0.000 2.524 554 S HA 0.303 4.773 4.470 0.000 0.000 0.216 554 S C 0.000 174.548 174.600 -0.086 0.000 0.987 554 S CA -0.149 58.141 58.200 0.150 0.000 0.909 554 S CB -0.112 63.194 63.200 0.176 0.000 0.781 554 S HN 0.743 nan 8.310 nan 0.000 0.521 555 E N 0.130 120.280 120.200 -0.083 0.000 2.352 555 E HA 0.610 4.960 4.350 0.000 0.000 0.280 555 E C -1.560 174.985 176.600 -0.093 0.000 0.930 555 E CA -0.862 55.479 56.400 -0.099 0.000 0.765 555 E CB 2.413 31.960 29.700 -0.255 0.000 1.219 555 E HN 0.435 nan 8.360 nan 0.000 0.434 556 F N -0.850 118.840 119.950 -0.433 0.000 2.744 556 F HA 0.816 5.343 4.527 0.000 0.000 0.311 556 F C -0.758 174.738 175.800 -0.506 0.000 1.144 556 F CA -0.615 56.924 58.000 -0.769 0.000 0.938 556 F CB 1.563 40.338 39.000 -0.375 0.000 1.292 556 F HN 0.595 nan 8.300 nan 0.000 0.444 557 G N 0.899 109.237 108.800 -0.769 0.000 2.559 557 G HA2 0.593 4.553 3.960 0.000 0.000 0.291 557 G HA3 0.593 4.553 3.960 0.000 0.000 0.291 557 G C -2.804 172.298 174.900 0.336 0.000 1.424 557 G CA -0.874 44.097 45.100 -0.216 0.000 0.786 557 G HN 1.140 nan 8.290 nan 0.000 0.485 558 F N 0.107 120.196 119.950 0.232 0.000 2.622 558 F HA 0.533 5.060 4.527 0.000 0.000 0.318 558 F C -0.285 175.291 175.800 -0.374 0.000 1.135 558 F CA -0.647 57.366 58.000 0.022 0.000 1.015 558 F CB 2.012 41.076 39.000 0.108 0.000 1.275 558 F HN 0.539 nan 8.300 nan 0.000 0.457 559 Q N 2.532 121.309 119.800 -1.706 0.000 2.312 559 Q HA 0.688 5.029 4.340 0.000 0.000 0.236 559 Q C -0.915 174.646 176.000 -0.733 0.000 0.965 559 Q CA -0.397 54.511 55.803 -1.491 0.000 0.894 559 Q CB 1.847 29.348 28.738 -2.063 0.000 1.225 559 Q HN 0.746 nan 8.270 nan 0.000 0.478 560 S N 0.018 115.413 115.700 -0.508 0.000 2.550 560 S HA 0.506 4.976 4.470 0.000 0.000 0.270 560 S C -0.978 173.500 174.600 -0.204 0.000 1.145 560 S CA -0.881 57.178 58.200 -0.235 0.000 0.852 560 S CB 0.493 63.582 63.200 -0.185 0.000 1.119 560 S HN 0.364 nan 8.310 nan 0.000 0.465 561 F N 3.019 122.856 119.950 -0.187 0.000 2.518 561 F HA 0.386 4.913 4.527 0.000 0.000 0.359 561 F C -1.415 174.311 175.800 -0.124 0.000 1.118 561 F CA -1.046 56.888 58.000 -0.110 0.000 1.287 561 F CB 0.365 39.321 39.000 -0.072 0.000 1.132 561 F HN 0.416 nan 8.300 nan 0.000 0.587 562 P HA 0.077 nan 4.420 nan 0.000 0.274 562 P C -0.805 176.549 177.300 0.091 0.000 1.256 562 P CA -0.544 62.590 63.100 0.057 0.000 0.795 562 P CB 0.590 32.343 31.700 0.089 0.000 1.038 563 E N 0.408 120.661 120.200 0.088 0.000 2.410 563 E HA 0.024 4.374 4.350 0.000 0.000 0.255 563 E C 1.042 177.703 176.600 0.100 0.000 1.194 563 E CA -0.564 55.907 56.400 0.118 0.000 0.955 563 E CB 0.094 29.933 29.700 0.231 0.000 0.988 563 E HN 0.160 nan 8.360 nan 0.000 0.461 564 M N 1.050 120.701 119.600 0.085 0.000 2.159 564 M HA -0.145 4.335 4.480 0.000 0.000 0.263 564 M C 2.068 178.359 176.300 -0.015 0.000 1.063 564 M CA 1.985 57.276 55.300 -0.014 0.000 1.110 564 M CB -1.221 31.371 32.600 -0.014 0.000 1.374 564 M HN 0.689 nan 8.290 nan 0.000 0.411 565 K N -1.185 119.241 120.400 0.042 0.000 2.209 565 K HA -0.087 4.233 4.320 0.000 0.000 0.204 565 K C 1.642 178.243 176.600 0.001 0.000 1.048 565 K CA 1.686 57.985 56.287 0.019 0.000 0.940 565 K CB -0.622 31.895 32.500 0.029 0.000 0.729 565 K HN 0.146 nan 8.250 nan 0.000 0.451 566 T N 1.752 116.348 114.554 0.070 0.000 2.851 566 T HA 0.100 4.450 4.350 0.000 0.000 0.262 566 T C 1.891 176.632 174.700 0.069 0.000 1.043 566 T CA 0.859 63.062 62.100 0.172 0.000 1.140 566 T CB -0.123 68.931 68.868 0.309 0.000 0.872 566 T HN 0.164 nan 8.240 nan 0.000 0.446 567 I N 1.624 122.134 120.570 -0.101 0.000 2.264 567 I HA -0.193 3.977 4.170 0.000 0.000 0.248 567 I C 2.837 178.604 176.117 -0.583 0.000 1.111 567 I CA 1.089 62.040 61.300 -0.582 0.000 1.382 567 I CB -0.429 37.348 38.000 -0.372 0.000 1.060 567 I HN 0.183 nan 8.210 nan 0.000 0.418 568 A N 0.664 123.363 122.820 -0.202 0.000 2.015 568 A HA -0.064 4.256 4.320 0.000 0.000 0.219 568 A C 2.488 180.085 177.584 0.022 0.000 1.163 568 A CA 1.540 53.573 52.037 -0.007 0.000 0.646 568 A CB -0.578 18.462 19.000 0.067 0.000 0.806 568 A HN 0.439 nan 8.150 nan 0.000 0.448 569 A N -0.644 122.186 122.820 0.017 0.000 2.066 569 A HA 0.144 4.465 4.320 0.000 0.000 0.218 569 A C 1.643 179.415 177.584 0.314 0.000 1.157 569 A CA 1.337 53.490 52.037 0.194 0.000 0.670 569 A CB -0.610 18.530 19.000 0.234 0.000 0.804 569 A HN 1.093 nan 8.150 nan 0.000 0.453 570 F N -3.571 116.379 119.950 0.001 0.000 2.706 570 F HA 0.755 5.282 4.527 0.000 0.000 0.313 570 F C 0.283 175.645 175.800 -0.730 0.000 1.096 570 F CA -0.308 57.489 58.000 -0.337 0.000 1.219 570 F CB 0.079 38.816 39.000 -0.439 0.000 1.051 570 F HN 0.178 nan 8.300 nan 0.000 0.568 571 A N 1.226 123.709 122.820 -0.562 0.000 2.486 571 A HA 0.833 5.153 4.320 0.000 0.000 0.300 571 A C -0.670 176.879 177.584 -0.059 0.000 1.048 571 A CA -0.468 51.359 52.037 -0.350 0.000 0.696 571 A CB 0.751 19.556 19.000 -0.326 0.000 1.278 571 A HN 0.529 nan 8.150 nan 0.000 0.405 572 A N 2.468 125.264 122.820 -0.040 0.000 2.322 572 A HA 0.681 5.001 4.320 0.000 0.000 0.269 572 A C -1.750 175.544 177.584 -0.485 0.000 1.094 572 A CA -1.469 50.514 52.037 -0.091 0.000 0.807 572 A CB -0.057 18.942 19.000 -0.002 0.000 1.047 572 A HN 0.501 nan 8.150 nan 0.000 0.487 573 P HA -0.139 nan 4.420 nan 0.000 0.219 573 P C 0.663 177.491 177.300 -0.788 0.000 1.146 573 P CA 1.383 63.686 63.100 -1.328 0.000 0.808 573 P CB 0.102 31.404 31.700 -0.663 0.000 0.779 574 E N -0.442 119.513 120.200 -0.408 0.000 2.273 574 E HA -0.170 4.180 4.350 0.000 0.000 0.198 574 E C 0.843 177.308 176.600 -0.224 0.000 1.002 574 E CA 1.127 57.383 56.400 -0.240 0.000 0.828 574 E CB -0.615 29.002 29.700 -0.137 0.000 0.747 574 E HN 0.392 nan 8.360 nan 0.000 0.491 575 D N -0.807 119.423 120.400 -0.284 0.000 2.431 575 D HA -0.015 4.625 4.640 0.000 0.000 0.213 575 D C -0.379 175.817 176.300 -0.173 0.000 1.130 575 D CA -0.077 53.822 54.000 -0.168 0.000 0.834 575 D CB 0.202 40.948 40.800 -0.090 0.000 0.985 575 D HN 0.179 nan 8.370 nan 0.000 0.504 576 Y N 2.083 122.109 120.300 -0.457 0.000 2.604 576 Y HA 0.293 4.843 4.550 0.000 0.000 0.341 576 Y C 0.423 175.740 175.900 -0.972 0.000 1.249 576 Y CA -0.273 57.247 58.100 -0.967 0.000 1.926 576 Y CB -1.013 37.015 38.460 -0.720 0.000 1.941 576 Y HN -0.119 nan 8.280 nan 0.000 0.426 577 Q N 0.182 119.640 119.800 -0.570 0.000 2.451 577 Q HA 0.381 4.721 4.340 0.000 0.000 0.281 577 Q C 1.103 177.048 176.000 -0.092 0.000 1.099 577 Q CA -0.749 54.904 55.803 -0.251 0.000 0.806 577 Q CB 1.959 30.638 28.738 -0.098 0.000 1.419 577 Q HN 0.533 nan 8.270 nan 0.000 0.427 578 I N -1.892 118.740 120.570 0.104 0.000 3.241 578 I HA -0.002 4.168 4.170 0.000 0.000 0.280 578 I C -0.239 176.005 176.117 0.211 0.000 1.320 578 I CA 1.242 62.663 61.300 0.203 0.000 1.413 578 I CB 0.245 38.181 38.000 -0.107 0.000 1.060 578 I HN 0.476 nan 8.210 nan 0.000 0.500 579 E N 1.281 121.542 120.200 0.102 0.000 3.085 579 E HA 0.128 4.479 4.350 0.000 0.000 0.179 579 E C 0.228 176.860 176.600 0.053 0.000 0.951 579 E CA 0.072 56.525 56.400 0.088 0.000 1.326 579 E CB 0.253 29.988 29.700 0.058 0.000 1.043 579 E HN 0.561 nan 8.360 nan 0.000 0.457 580 S N 0.908 116.626 115.700 0.031 0.000 2.580 580 S HA -0.067 4.403 4.470 0.000 0.000 0.261 580 S C 1.419 176.055 174.600 0.059 0.000 1.366 580 S CA 0.252 58.464 58.200 0.019 0.000 0.996 580 S CB 0.986 64.177 63.200 -0.014 0.000 0.902 580 S HN 0.398 nan 8.310 nan 0.000 0.566 581 E N -0.134 120.100 120.200 0.056 0.000 2.106 581 E HA -0.114 4.236 4.350 0.000 0.000 0.192 581 E C 1.664 178.334 176.600 0.117 0.000 0.984 581 E CA 1.022 57.469 56.400 0.078 0.000 0.806 581 E CB -0.591 29.149 29.700 0.066 0.000 0.750 581 E HN 0.409 nan 8.360 nan 0.000 0.458 582 V N 1.097 121.082 119.914 0.117 0.000 2.287 582 V HA -0.303 3.818 4.120 0.000 0.000 0.248 582 V C 2.516 178.756 176.094 0.244 0.000 1.053 582 V CA 2.147 64.546 62.300 0.166 0.000 1.027 582 V CB -0.507 31.367 31.823 0.086 0.000 0.646 582 V HN 0.294 nan 8.190 nan 0.000 0.447 583 M N 0.470 120.194 119.600 0.206 0.000 2.080 583 M HA -0.156 4.325 4.480 0.000 0.000 0.260 583 M C 1.899 178.342 176.300 0.238 0.000 1.068 583 M CA 1.756 57.230 55.300 0.290 0.000 1.109 583 M CB -0.908 31.858 32.600 0.276 0.000 1.342 583 M HN 0.304 nan 8.290 nan 0.000 0.405 584 N N -0.028 118.778 118.700 0.176 0.000 2.244 584 N HA -0.024 4.716 4.740 0.000 0.000 0.183 584 N C 1.487 177.064 175.510 0.113 0.000 1.016 584 N CA 1.405 54.529 53.050 0.123 0.000 0.866 584 N CB -0.363 38.181 38.487 0.095 0.000 0.980 584 N HN 0.460 nan 8.380 nan 0.000 0.430 585 A N -0.109 122.813 122.820 0.169 0.000 2.125 585 A HA -0.117 4.203 4.320 0.000 0.000 0.219 585 A C 0.586 178.189 177.584 0.031 0.000 1.156 585 A CA 1.218 53.343 52.037 0.148 0.000 0.671 585 A CB -0.381 18.751 19.000 0.220 0.000 0.794 585 A HN 0.333 nan 8.150 nan 0.000 0.459 586 H N -2.005 116.997 119.070 -0.115 0.000 2.510 586 H HA 0.430 4.986 4.556 0.000 0.000 0.266 586 H C -0.329 174.784 175.328 -0.360 0.000 1.146 586 H CA 0.034 55.820 56.048 -0.438 0.000 0.993 586 H CB 0.354 29.473 29.762 -1.072 0.000 1.727 586 H HN 0.504 nan 8.280 nan 0.000 0.590 587 Q N 0.372 120.123 119.800 -0.082 0.000 2.305 587 Q HA 0.395 4.735 4.340 0.000 0.000 0.271 587 Q C -0.614 175.383 176.000 -0.005 0.000 1.046 587 Q CA -0.654 55.084 55.803 -0.107 0.000 0.798 587 Q CB 1.436 30.105 28.738 -0.115 0.000 1.286 587 Q HN -0.020 nan 8.270 nan 0.000 0.435 588 K N 1.039 121.460 120.400 0.034 0.000 2.520 588 K HA 0.333 4.653 4.320 0.000 0.000 0.206 588 K C -0.448 176.236 176.600 0.140 0.000 1.122 588 K CA 0.026 56.370 56.287 0.095 0.000 1.045 588 K CB 1.321 33.929 32.500 0.180 0.000 0.932 588 K HN 0.546 nan 8.250 nan 0.000 0.571 589 S N 0.007 115.821 115.700 0.190 0.000 2.601 589 S HA 0.083 4.553 4.470 0.000 0.000 0.271 589 S C 1.361 176.103 174.600 0.236 0.000 1.305 589 S CA 0.026 58.431 58.200 0.342 0.000 1.022 589 S CB 0.987 64.535 63.200 0.581 0.000 0.940 589 S HN 0.355 nan 8.310 nan 0.000 0.525 590 S N 3.411 119.259 115.700 0.247 0.000 2.465 590 S HA 0.036 4.506 4.470 0.000 0.000 0.241 590 S C 0.506 175.211 174.600 0.175 0.000 1.000 590 S CA 0.639 58.934 58.200 0.158 0.000 0.964 590 S CB -0.707 62.548 63.200 0.092 0.000 0.763 590 S HN 0.643 nan 8.310 nan 0.000 0.512 591 I N 1.438 122.157 120.570 0.248 0.000 2.418 591 I HA 0.563 4.733 4.170 0.000 0.000 0.287 591 I C 0.958 177.127 176.117 0.087 0.000 1.008 591 I CA -0.912 60.428 61.300 0.067 0.000 1.104 591 I CB 1.678 39.594 38.000 -0.140 0.000 1.264 591 I HN 0.172 nan 8.210 nan 0.000 0.438 592 G N 3.569 112.396 108.800 0.044 0.000 2.582 592 G HA2 0.079 4.040 3.960 0.000 0.000 0.232 592 G HA3 0.079 4.040 3.960 0.000 0.000 0.232 592 G C 0.675 175.637 174.900 0.104 0.000 1.458 592 G CA -0.260 44.890 45.100 0.082 0.000 1.062 592 G HN 0.600 nan 8.290 nan 0.000 0.566 593 N N 0.305 119.078 118.700 0.121 0.000 2.289 593 N HA -0.147 4.593 4.740 0.000 0.000 0.184 593 N C 2.490 178.119 175.510 0.199 0.000 1.016 593 N CA 1.388 54.566 53.050 0.214 0.000 0.872 593 N CB -0.243 38.428 38.487 0.306 0.000 0.973 593 N HN 0.445 nan 8.380 nan 0.000 0.433 594 S N 0.529 116.291 115.700 0.104 0.000 2.419 594 S HA -0.083 4.387 4.470 0.000 0.000 0.233 594 S C 1.860 176.497 174.600 0.061 0.000 1.016 594 S CA 0.441 58.684 58.200 0.072 0.000 0.974 594 S CB -0.305 62.913 63.200 0.030 0.000 0.786 594 S HN 0.147 nan 8.310 nan 0.000 0.492 595 L N 1.341 122.551 121.223 -0.021 0.000 2.093 595 L HA 0.266 4.606 4.340 0.000 0.000 0.208 595 L C 2.160 179.111 176.870 0.135 0.000 1.085 595 L CA 1.275 56.049 54.840 -0.111 0.000 0.755 595 L CB -0.688 40.979 42.059 -0.654 0.000 0.904 595 L HN 0.386 nan 8.230 nan 0.000 0.435 596 I N -1.020 119.682 120.570 0.219 0.000 2.226 596 I HA -0.298 3.872 4.170 0.000 0.000 0.245 596 I C 2.682 179.042 176.117 0.405 0.000 1.100 596 I CA 1.154 62.688 61.300 0.389 0.000 1.374 596 I CB -0.370 37.861 38.000 0.386 0.000 1.057 596 I HN 0.244 nan 8.210 nan 0.000 0.413 597 R N 0.449 121.180 120.500 0.386 0.000 2.096 597 R HA -0.158 4.182 4.340 0.000 0.000 0.235 597 R C 2.266 178.705 176.300 0.231 0.000 1.127 597 R CA 1.978 58.290 56.100 0.352 0.000 0.968 597 R CB -0.266 30.196 30.300 0.270 0.000 0.861 597 R HN 0.298 nan 8.270 nan 0.000 0.440 598 T N -0.049 114.615 114.554 0.184 0.000 2.684 598 T HA -0.178 4.172 4.350 0.000 0.000 0.267 598 T C 1.433 176.182 174.700 0.082 0.000 1.036 598 T CA 1.599 63.753 62.100 0.089 0.000 1.148 598 T CB -0.403 68.471 68.868 0.011 0.000 0.863 598 T HN 0.315 nan 8.240 nan 0.000 0.436 599 Y N 0.636 121.001 120.300 0.109 0.000 2.242 599 Y HA 0.027 4.578 4.550 0.000 0.000 0.291 599 Y C 2.535 178.511 175.900 0.126 0.000 1.137 599 Y CA 0.962 59.125 58.100 0.105 0.000 1.181 599 Y CB -0.381 38.225 38.460 0.244 0.000 0.989 599 Y HN 0.137 nan 8.280 nan 0.000 0.527 600 M N -0.072 119.720 119.600 0.319 0.000 2.080 600 M HA -0.252 4.228 4.480 0.000 0.000 0.260 600 M C 2.313 178.727 176.300 0.190 0.000 1.068 600 M CA 1.876 57.316 55.300 0.233 0.000 1.109 600 M CB -0.181 32.480 32.600 0.101 0.000 1.342 600 M HN 0.166 nan 8.290 nan 0.000 0.405 601 E N 0.673 120.947 120.200 0.124 0.000 2.209 601 E HA -0.224 4.126 4.350 0.000 0.000 0.196 601 E C 1.770 178.372 176.600 0.004 0.000 0.993 601 E CA 1.325 57.758 56.400 0.056 0.000 0.819 601 E CB -0.102 29.620 29.700 0.037 0.000 0.745 601 E HN 0.600 nan 8.360 nan 0.000 0.477 602 R N -0.056 120.442 120.500 -0.004 0.000 2.189 602 R HA -0.042 4.298 4.340 0.000 0.000 0.223 602 R C 1.273 177.516 176.300 -0.095 0.000 1.092 602 R CA 1.280 57.345 56.100 -0.058 0.000 0.989 602 R CB 0.166 30.415 30.300 -0.086 0.000 0.876 602 R HN 0.123 nan 8.270 nan 0.000 0.457 603 D N -2.244 118.089 120.400 -0.112 0.000 2.486 603 D HA 0.106 4.746 4.640 0.000 0.000 0.243 603 D C -0.645 175.233 176.300 -0.703 0.000 1.146 603 D CA 0.377 54.145 54.000 -0.387 0.000 0.821 603 D CB 0.883 41.410 40.800 -0.454 0.000 1.201 603 D HN -0.005 nan 8.370 nan 0.000 0.525 604 Y N 0.078 120.321 120.300 -0.096 0.000 2.588 604 Y HA 0.426 4.976 4.550 0.000 0.000 0.343 604 Y C -0.038 175.790 175.900 -0.120 0.000 1.065 604 Y CA -0.919 57.107 58.100 -0.123 0.000 1.038 604 Y CB 1.612 39.990 38.460 -0.137 0.000 1.297 604 Y HN -0.321 nan 8.280 nan 0.000 0.467 605 I N 3.437 124.002 120.570 -0.009 0.000 2.471 605 I HA 0.153 4.323 4.170 0.000 0.000 0.286 605 I C -0.219 175.926 176.117 0.046 0.000 1.079 605 I CA -0.006 61.248 61.300 -0.077 0.000 1.398 605 I CB 0.398 38.186 38.000 -0.354 0.000 1.403 605 I HN 0.364 nan 8.210 nan 0.000 0.530 606 I N 8.809 129.420 120.570 0.069 0.000 2.581 606 I HA 0.092 4.262 4.170 0.000 0.000 0.285 606 I C -1.927 174.277 176.117 0.145 0.000 1.129 606 I CA -1.378 59.997 61.300 0.126 0.000 1.397 606 I CB -0.128 37.965 38.000 0.155 0.000 1.399 606 I HN 0.299 nan 8.210 nan 0.000 0.537 607 P HA 0.110 nan 4.420 nan 0.000 0.274 607 P C 0.376 177.767 177.300 0.151 0.000 1.237 607 P CA -0.380 62.817 63.100 0.160 0.000 0.793 607 P CB 0.801 32.584 31.700 0.137 0.000 0.977 608 E N -0.074 120.196 120.200 0.117 0.000 2.076 608 E HA -0.038 4.312 4.350 0.000 0.000 0.190 608 E C 0.703 177.354 176.600 0.084 0.000 0.979 608 E CA 0.973 57.426 56.400 0.088 0.000 0.807 608 E CB -0.573 29.173 29.700 0.077 0.000 0.761 608 E HN 0.556 nan 8.360 nan 0.000 0.454 609 S N 0.112 115.869 115.700 0.095 0.000 2.584 609 S HA 0.120 4.590 4.470 0.000 0.000 0.273 609 S C 0.923 175.607 174.600 0.139 0.000 1.311 609 S CA -0.737 57.530 58.200 0.111 0.000 1.034 609 S CB 0.922 64.179 63.200 0.095 0.000 0.939 609 S HN 0.099 nan 8.310 nan 0.000 0.513 610 F N 2.445 122.399 119.950 0.006 0.000 2.065 610 F HA -0.132 4.395 4.527 0.000 0.000 0.298 610 F C 2.080 177.881 175.800 0.002 0.000 1.112 610 F CA 2.344 60.325 58.000 -0.032 0.000 1.212 610 F CB -0.630 38.344 39.000 -0.043 0.000 0.975 610 F HN 0.746 nan 8.300 nan 0.000 0.476 611 E N 0.210 120.468 120.200 0.095 0.000 2.130 611 E HA -0.221 4.129 4.350 0.000 0.000 0.196 611 E C 1.859 178.446 176.600 -0.021 0.000 0.998 611 E CA 1.755 58.150 56.400 -0.008 0.000 0.806 611 E CB -0.408 29.332 29.700 0.068 0.000 0.738 611 E HN 0.449 nan 8.360 nan 0.000 0.459 612 D N -0.786 119.635 120.400 0.035 0.000 2.194 612 D HA -0.070 4.570 4.640 0.000 0.000 0.204 612 D C 1.562 177.874 176.300 0.021 0.000 0.964 612 D CA 0.360 54.414 54.000 0.090 0.000 0.846 612 D CB -0.272 40.584 40.800 0.094 0.000 0.962 612 D HN 0.114 nan 8.370 nan 0.000 0.490 613 F N 1.485 121.326 119.950 -0.182 0.000 2.095 613 F HA -0.246 4.281 4.527 0.000 0.000 0.298 613 F C 2.174 177.732 175.800 -0.404 0.000 1.104 613 F CA 1.170 58.998 58.000 -0.287 0.000 1.232 613 F CB -0.231 38.567 39.000 -0.336 0.000 0.987 613 F HN -0.222 nan 8.300 nan 0.000 0.475 614 V N -0.087 119.597 119.914 -0.382 0.000 2.287 614 V HA -0.347 3.773 4.120 0.000 0.000 0.248 614 V C 2.115 178.041 176.094 -0.280 0.000 1.053 614 V CA 2.312 64.361 62.300 -0.419 0.000 1.027 614 V CB -1.200 30.342 31.823 -0.468 0.000 0.646 614 V HN 0.620 nan 8.190 nan 0.000 0.447 615 Y N 0.718 120.865 120.300 -0.254 0.000 2.181 615 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 615 Y C 2.299 178.026 175.900 -0.289 0.000 1.146 615 Y CA 1.845 59.830 58.100 -0.192 0.000 1.164 615 Y CB -0.598 37.841 38.460 -0.035 0.000 0.982 615 Y HN 0.043 nan 8.280 nan 0.000 0.515 616 V N 0.540 119.969 119.914 -0.809 0.000 2.427 616 V HA -0.216 3.904 4.120 0.000 0.000 0.248 616 V C 2.633 178.198 176.094 -0.882 0.000 1.051 616 V CA 1.899 63.591 62.300 -1.013 0.000 1.048 616 V CB -1.493 29.880 31.823 -0.749 0.000 0.666 616 V HN 0.644 nan 8.190 nan 0.000 0.456 617 G N -0.331 108.020 108.800 -0.748 0.000 2.422 617 G HA2 -0.176 3.785 3.960 0.000 0.000 0.218 617 G HA3 -0.176 3.785 3.960 0.000 0.000 0.218 617 G C 1.574 176.217 174.900 -0.429 0.000 1.140 617 G CA 0.738 45.501 45.100 -0.562 0.000 0.775 617 G HN 0.465 nan 8.290 nan 0.000 0.545 618 L N 0.214 121.150 121.223 -0.478 0.000 2.017 618 L HA -0.100 4.240 4.340 0.000 0.000 0.208 618 L C 2.996 179.483 176.870 -0.638 0.000 1.073 618 L CA 0.615 55.131 54.840 -0.541 0.000 0.745 618 L CB -0.633 41.059 42.059 -0.612 0.000 0.894 618 L HN 0.075 nan 8.230 nan 0.000 0.432 619 V N 0.035 119.547 119.914 -0.671 0.000 2.287 619 V HA -0.310 3.810 4.120 0.000 0.000 0.248 619 V C 2.420 178.202 176.094 -0.519 0.000 1.053 619 V CA 1.912 63.856 62.300 -0.592 0.000 1.027 619 V CB -0.524 30.899 31.823 -0.666 0.000 0.646 619 V HN 0.359 nan 8.190 nan 0.000 0.447 620 L N 0.111 120.978 121.223 -0.594 0.000 1.989 620 L HA -0.247 4.093 4.340 0.000 0.000 0.211 620 L C 2.519 179.155 176.870 -0.389 0.000 1.071 620 L CA 2.486 57.097 54.840 -0.381 0.000 0.749 620 L CB -0.894 40.984 42.059 -0.302 0.000 0.890 620 L HN 0.408 nan 8.230 nan 0.000 0.431 621 Q N -0.779 118.846 119.800 -0.292 0.000 2.096 621 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 621 Q C 2.031 177.784 176.000 -0.412 0.000 0.982 621 Q CA 1.840 57.511 55.803 -0.220 0.000 0.850 621 Q CB -0.503 28.182 28.738 -0.089 0.000 0.901 621 Q HN 0.685 nan 8.270 nan 0.000 0.422 622 G N 0.355 108.893 108.800 -0.436 0.000 2.421 622 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 622 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 622 G C 1.379 176.031 174.900 -0.413 0.000 1.171 622 G CA 0.554 45.394 45.100 -0.434 0.000 0.775 622 G HN 0.295 nan 8.290 nan 0.000 0.543 623 Q N 0.297 119.859 119.800 -0.397 0.000 2.083 623 Q HA -0.021 4.319 4.340 0.000 0.000 0.198 623 Q C 2.836 178.527 176.000 -0.515 0.000 0.969 623 Q CA 1.390 56.985 55.803 -0.346 0.000 0.838 623 Q CB -0.680 27.925 28.738 -0.221 0.000 0.900 623 Q HN 0.450 nan 8.270 nan 0.000 0.436 624 G N 0.467 108.708 108.800 -0.933 0.000 2.394 624 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 624 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 624 G C 1.462 175.770 174.900 -0.986 0.000 1.165 624 G CA 0.385 44.423 45.100 -1.769 0.000 0.784 624 G HN 0.136 nan 8.290 nan 0.000 0.535 625 M N 1.186 120.369 119.600 -0.694 0.000 2.175 625 M HA -0.013 4.468 4.480 0.000 0.000 0.264 625 M C 2.632 178.794 176.300 -0.230 0.000 1.063 625 M CA 1.348 56.455 55.300 -0.322 0.000 1.119 625 M CB -0.754 31.571 32.600 -0.457 0.000 1.377 625 M HN 0.376 nan 8.290 nan 0.000 0.415 626 R N -0.969 119.341 120.500 -0.316 0.000 2.152 626 R HA -0.165 4.175 4.340 0.000 0.000 0.232 626 R C 1.903 178.102 176.300 -0.169 0.000 1.117 626 R CA 1.847 57.793 56.100 -0.257 0.000 0.981 626 R CB -1.547 28.599 30.300 -0.258 0.000 0.870 626 R HN 0.360 nan 8.270 nan 0.000 0.451 627 H N 0.085 119.015 119.070 -0.233 0.000 2.352 627 H HA 0.028 4.584 4.556 0.000 0.000 0.299 627 H C 2.031 177.248 175.328 -0.185 0.000 1.097 627 H CA 2.282 58.225 56.048 -0.175 0.000 1.311 627 H CB -0.522 29.144 29.762 -0.160 0.000 1.377 627 H HN 0.398 nan 8.280 nan 0.000 0.504 628 G N 0.027 108.757 108.800 -0.116 0.000 2.394 628 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 628 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 628 G C 1.737 176.211 174.900 -0.710 0.000 1.176 628 G CA 0.753 45.611 45.100 -0.403 0.000 0.786 628 G HN 0.385 nan 8.290 nan 0.000 0.533 629 L N 0.299 121.406 121.223 -0.192 0.000 2.012 629 L HA -0.130 4.210 4.340 0.000 0.000 0.210 629 L C 2.913 179.711 176.870 -0.121 0.000 1.073 629 L CA 1.625 56.444 54.840 -0.035 0.000 0.748 629 L CB -0.566 41.463 42.059 -0.051 0.000 0.891 629 L HN 0.297 nan 8.230 nan 0.000 0.431 630 E N 0.223 120.298 120.200 -0.208 0.000 2.085 630 E HA -0.237 4.113 4.350 0.000 0.000 0.194 630 E C 2.307 178.738 176.600 -0.281 0.000 0.994 630 E CA 1.224 57.493 56.400 -0.217 0.000 0.801 630 E CB -0.255 29.309 29.700 -0.227 0.000 0.743 630 E HN 0.521 nan 8.360 nan 0.000 0.453 631 A N 0.973 123.547 122.820 -0.409 0.000 1.933 631 A HA -0.229 4.091 4.320 0.000 0.000 0.218 631 A C 1.702 179.185 177.584 -0.169 0.000 1.175 631 A CA 1.684 53.510 52.037 -0.352 0.000 0.628 631 A CB -0.834 17.927 19.000 -0.398 0.000 0.814 631 A HN 0.334 nan 8.150 nan 0.000 0.444 632 H N -0.935 118.075 119.070 -0.100 0.000 2.299 632 H HA -0.045 4.511 4.556 0.000 0.000 0.302 632 H C 2.467 177.845 175.328 0.083 0.000 1.078 632 H CA 1.226 57.297 56.048 0.039 0.000 1.323 632 H CB -0.054 29.759 29.762 0.085 0.000 1.381 632 H HN 0.376 nan 8.280 nan 0.000 0.498 633 R N 0.654 121.151 120.500 -0.006 0.000 2.105 633 R HA -0.133 4.207 4.340 0.000 0.000 0.239 633 R C 2.418 178.536 176.300 -0.303 0.000 1.135 633 R CA 1.152 56.946 56.100 -0.511 0.000 0.967 633 R CB -0.217 29.832 30.300 -0.417 0.000 0.861 633 R HN 0.297 nan 8.270 nan 0.000 0.442 634 R N 0.867 121.237 120.500 -0.215 0.000 2.148 634 R HA -0.042 4.298 4.340 0.000 0.000 0.227 634 R C 0.866 177.055 176.300 -0.185 0.000 1.103 634 R CA 1.121 57.061 56.100 -0.267 0.000 0.983 634 R CB 0.055 30.086 30.300 -0.447 0.000 0.874 634 R HN 0.194 nan 8.270 nan 0.000 0.451 635 N N 1.088 119.746 118.700 -0.069 0.000 2.295 635 N HA -0.036 4.704 4.740 0.000 0.000 0.221 635 N C -0.434 175.176 175.510 0.166 0.000 1.129 635 N CA -0.055 53.022 53.050 0.045 0.000 0.836 635 N CB 0.334 38.865 38.487 0.073 0.000 1.040 635 N HN 0.192 nan 8.380 nan 0.000 0.494 636 R N 2.337 122.911 120.500 0.123 0.000 2.491 636 R HA 0.101 4.441 4.340 0.000 0.000 0.283 636 R C -1.567 174.816 176.300 0.140 0.000 1.072 636 R CA -0.814 55.396 56.100 0.184 0.000 1.048 636 R CB 0.766 31.128 30.300 0.105 0.000 0.983 636 R HN -0.011 nan 8.270 nan 0.000 0.450 637 P HA -0.037 nan 4.420 nan 0.000 0.261 637 P C 0.581 177.971 177.300 0.150 0.000 1.268 637 P CA 0.276 63.449 63.100 0.122 0.000 0.833 637 P CB -0.038 31.686 31.700 0.040 0.000 1.231 638 Y N 0.901 121.259 120.300 0.097 0.000 2.128 638 Y HA -0.151 4.399 4.550 0.000 0.000 0.284 638 Y C 1.176 177.157 175.900 0.135 0.000 1.154 638 Y CA 1.230 59.396 58.100 0.109 0.000 1.149 638 Y CB -0.561 37.959 38.460 0.100 0.000 0.976 638 Y HN 0.023 nan 8.280 nan 0.000 0.505 639 C N 1.944 121.434 119.300 0.316 0.000 2.341 639 C HA 0.395 4.855 4.460 0.000 0.000 0.338 639 C C 0.677 175.820 174.990 0.255 0.000 1.257 639 C CA -0.759 58.396 59.018 0.228 0.000 1.883 639 C CB 0.122 28.035 27.740 0.287 0.000 2.334 639 C HN 0.616 nan 8.230 nan 0.000 0.524 640 M N 4.344 123.970 119.600 0.043 0.000 2.347 640 M HA 0.320 4.800 4.480 0.000 0.000 0.324 640 M C 0.477 176.280 176.300 -0.829 0.000 1.028 640 M CA 0.211 55.454 55.300 -0.094 0.000 0.988 640 M CB 0.087 32.812 32.600 0.207 0.000 1.528 640 M HN 0.984 nan 8.290 nan 0.000 0.550 641 G N -0.433 107.569 108.800 -1.329 0.000 2.519 641 G HA2 0.404 4.364 3.960 0.000 0.000 0.292 641 G HA3 0.404 4.364 3.960 0.000 0.000 0.292 641 G C -1.655 172.464 174.900 -1.302 0.000 1.507 641 G CA -0.349 43.671 45.100 -1.801 0.000 0.806 641 G HN -0.105 nan 8.290 nan 0.000 0.523 642 T N 0.298 114.385 114.554 -0.780 0.000 3.109 642 T HA 0.578 4.929 4.350 0.000 0.000 0.311 642 T C -1.212 173.469 174.700 -0.031 0.000 1.011 642 T CA -0.453 61.508 62.100 -0.231 0.000 1.026 642 T CB 0.549 69.593 68.868 0.294 0.000 1.047 642 T HN 0.589 nan 8.240 nan 0.000 0.448 643 L N 6.652 127.878 121.223 0.004 0.000 2.345 643 L HA 0.531 4.872 4.340 0.000 0.000 0.274 643 L C -0.195 176.701 176.870 0.043 0.000 0.999 643 L CA -1.332 53.492 54.840 -0.026 0.000 0.849 643 L CB 0.803 42.799 42.059 -0.104 0.000 1.220 643 L HN 0.708 nan 8.230 nan 0.000 0.422 644 Y N 0.385 120.693 120.300 0.014 0.000 2.357 644 Y HA 0.269 4.819 4.550 0.000 0.000 0.340 644 Y C -0.271 175.486 175.900 -0.238 0.000 1.260 644 Y CA -0.889 57.059 58.100 -0.253 0.000 1.425 644 Y CB 0.708 38.854 38.460 -0.523 0.000 1.326 644 Y HN 0.558 nan 8.280 nan 0.000 0.580 645 W N 6.101 127.265 121.300 -0.227 0.000 2.316 645 W HA 0.354 5.014 4.660 0.000 0.000 0.308 645 W C -1.364 175.144 176.519 -0.019 0.000 1.106 645 W CA -0.634 56.601 57.345 -0.184 0.000 1.262 645 W CB 1.389 30.798 29.460 -0.086 0.000 1.233 645 W HN 0.925 nan 8.180 nan 0.000 0.447 646 Q N 3.813 123.325 119.800 -0.480 0.000 2.605 646 Q HA 0.291 4.631 4.340 0.000 0.000 0.296 646 Q C -0.366 175.280 176.000 -0.591 0.000 1.056 646 Q CA -0.856 54.279 55.803 -1.114 0.000 0.778 646 Q CB 1.893 29.499 28.738 -1.888 0.000 1.497 646 Q HN 0.425 nan 8.270 nan 0.000 0.443 647 L N 0.878 121.696 121.223 -0.675 0.000 2.068 647 L HA 0.087 4.427 4.340 0.000 0.000 0.204 647 L C 0.011 176.653 176.870 -0.379 0.000 1.076 647 L CA 1.821 56.409 54.840 -0.419 0.000 0.753 647 L CB -0.178 41.639 42.059 -0.404 0.000 0.910 647 L HN 0.873 nan 8.230 nan 0.000 0.439 648 N N -2.221 116.169 118.700 -0.515 0.000 2.902 648 N HA 0.282 5.022 4.740 0.000 0.000 0.268 648 N C -1.635 173.571 175.510 -0.508 0.000 1.450 648 N CA -0.665 52.114 53.050 -0.452 0.000 0.819 648 N CB 1.131 39.365 38.487 -0.421 0.000 1.540 648 N HN -0.129 nan 8.380 nan 0.000 0.545 649 D N -0.917 119.265 120.400 -0.363 0.000 2.527 649 D HA 0.306 4.947 4.640 0.000 0.000 0.233 649 D C 0.273 176.503 176.300 -0.115 0.000 1.063 649 D CA -0.363 53.472 54.000 -0.273 0.000 0.880 649 D CB 2.187 42.896 40.800 -0.152 0.000 1.457 649 D HN 0.606 nan 8.370 nan 0.000 0.475 650 S N 0.085 115.781 115.700 -0.007 0.000 2.535 650 S HA 0.160 4.630 4.470 0.000 0.000 0.214 650 S C 0.351 175.010 174.600 0.098 0.000 0.980 650 S CA -0.295 57.998 58.200 0.155 0.000 0.907 650 S CB 0.272 63.603 63.200 0.219 0.000 0.790 650 S HN 0.600 nan 8.310 nan 0.000 0.510 651 W N -0.555 120.413 121.300 -0.554 0.000 2.926 651 W HA 0.522 5.182 4.660 0.000 0.000 0.361 651 W C -3.887 172.107 176.519 -0.875 0.000 1.195 651 W CA -2.415 54.037 57.345 -1.489 0.000 1.177 651 W CB -0.233 28.253 29.460 -1.624 0.000 1.453 651 W HN -0.238 nan 8.180 nan 0.000 0.571 652 P HA 0.374 nan 4.420 nan 0.000 0.276 652 P C -0.552 176.023 177.300 -1.207 0.000 1.253 652 P CA 0.373 63.095 63.100 -0.631 0.000 0.766 652 P CB 1.482 33.182 31.700 0.001 0.000 0.845 653 V N 4.178 123.559 119.914 -0.889 0.000 3.225 653 V HA 0.245 4.365 4.120 0.000 0.000 0.293 653 V C -1.191 174.587 176.094 -0.526 0.000 1.405 653 V CA -0.937 60.782 62.300 -0.969 0.000 1.038 653 V CB 2.584 33.771 31.823 -1.060 0.000 1.123 653 V HN 0.062 nan 8.190 nan 0.000 0.447 654 V N 4.776 124.383 119.914 -0.511 0.000 2.427 654 V HA 0.706 4.826 4.120 0.000 0.000 0.268 654 V C 0.456 176.248 176.094 -0.504 0.000 1.046 654 V CA 0.942 62.906 62.300 -0.560 0.000 0.970 654 V CB 0.360 31.691 31.823 -0.821 0.000 1.001 654 V HN 1.162 nan 8.190 nan 0.000 0.476 655 S N 3.824 119.223 115.700 -0.502 0.000 2.790 655 S HA 0.461 4.932 4.470 0.000 0.000 0.292 655 S C -0.128 174.126 174.600 -0.575 0.000 1.197 655 S CA -0.835 57.063 58.200 -0.502 0.000 0.851 655 S CB 1.213 64.357 63.200 -0.094 0.000 1.217 655 S HN 0.513 nan 8.310 nan 0.000 0.526 656 W N 2.432 123.583 121.300 -0.249 0.000 3.256 656 W HA 0.206 4.867 4.660 0.000 0.000 0.269 656 W C 1.206 177.558 176.519 -0.279 0.000 1.310 656 W CA 0.234 57.430 57.345 -0.248 0.000 1.673 656 W CB -0.454 29.014 29.460 0.013 0.000 1.115 656 W HN 0.790 nan 8.180 nan 0.000 0.686 657 S N 0.812 116.429 115.700 -0.139 0.000 2.573 657 S HA 0.007 4.477 4.470 0.000 0.000 0.277 657 S C 1.240 175.726 174.600 -0.190 0.000 1.346 657 S CA 0.366 58.435 58.200 -0.218 0.000 1.034 657 S CB 1.543 64.583 63.200 -0.267 0.000 0.879 657 S HN 0.130 nan 8.310 nan 0.000 0.528 658 S N 1.509 117.119 115.700 -0.150 0.000 2.517 658 S HA 0.337 4.807 4.470 0.000 0.000 0.214 658 S C 0.298 174.771 174.600 -0.212 0.000 0.991 658 S CA -0.432 57.666 58.200 -0.169 0.000 0.906 658 S CB -0.575 62.589 63.200 -0.060 0.000 0.789 658 S HN 0.717 nan 8.310 nan 0.000 0.513 659 I N 3.216 123.639 120.570 -0.246 0.000 2.478 659 I HA 0.337 4.507 4.170 0.000 0.000 0.287 659 I C -1.009 175.010 176.117 -0.164 0.000 1.042 659 I CA -0.957 60.197 61.300 -0.243 0.000 1.067 659 I CB 1.966 39.728 38.000 -0.396 0.000 1.233 659 I HN 0.120 nan 8.210 nan 0.000 0.431 660 D N 4.533 124.893 120.400 -0.066 0.000 2.414 660 D HA -0.073 4.567 4.640 0.000 0.000 0.251 660 D C 1.015 177.292 176.300 -0.039 0.000 1.252 660 D CA -0.094 53.884 54.000 -0.036 0.000 0.999 660 D CB 0.571 41.406 40.800 0.058 0.000 1.093 660 D HN 0.552 nan 8.370 nan 0.000 0.515 661 Y N -0.327 119.856 120.300 -0.195 0.000 2.315 661 Y HA -0.227 4.324 4.550 0.000 0.000 0.288 661 Y C 1.071 176.770 175.900 -0.336 0.000 1.154 661 Y CA 1.490 59.393 58.100 -0.328 0.000 1.229 661 Y CB -0.245 37.923 38.460 -0.486 0.000 0.980 661 Y HN 0.402 nan 8.280 nan 0.000 0.540 662 Y N -0.343 119.940 120.300 -0.029 0.000 2.466 662 Y HA 0.281 4.831 4.550 0.000 0.000 0.272 662 Y C 1.903 177.774 175.900 -0.048 0.000 1.169 662 Y CA 0.346 58.414 58.100 -0.054 0.000 1.285 662 Y CB 0.192 38.710 38.460 0.098 0.000 1.078 662 Y HN 0.199 nan 8.280 nan 0.000 0.523 663 G N -0.066 108.757 108.800 0.039 0.000 2.157 663 G HA2 -0.266 3.695 3.960 0.000 0.000 0.239 663 G HA3 -0.266 3.695 3.960 0.000 0.000 0.239 663 G C -0.156 174.847 174.900 0.172 0.000 0.982 663 G CA -0.297 44.836 45.100 0.055 0.000 0.650 663 G HN 0.276 nan 8.290 nan 0.000 0.527 664 N N 0.308 119.130 118.700 0.203 0.000 2.497 664 N HA 0.278 5.018 4.740 0.000 0.000 0.271 664 N C -0.086 175.614 175.510 0.316 0.000 1.142 664 N CA 0.074 53.287 53.050 0.272 0.000 0.965 664 N CB 0.492 39.141 38.487 0.270 0.000 1.077 664 N HN 0.218 nan 8.380 nan 0.000 0.462 665 W N 2.243 123.567 121.300 0.040 0.000 2.266 665 W HA 0.213 4.873 4.660 0.000 0.000 0.317 665 W C 1.080 177.629 176.519 0.050 0.000 1.310 665 W CA -0.362 56.936 57.345 -0.079 0.000 1.207 665 W CB 0.148 29.440 29.460 -0.280 0.000 1.199 665 W HN 0.212 nan 8.180 nan 0.000 0.544 666 K N 1.939 122.389 120.400 0.083 0.000 2.117 666 K HA 0.404 4.724 4.320 0.000 0.000 0.240 666 K C 1.240 177.702 176.600 -0.230 0.000 1.031 666 K CA -0.073 56.138 56.287 -0.127 0.000 0.909 666 K CB 0.652 33.004 32.500 -0.246 0.000 1.097 666 K HN 0.455 nan 8.250 nan 0.000 0.492 667 A N 1.132 123.380 122.820 -0.953 0.000 1.948 667 A HA -0.201 4.119 4.320 0.000 0.000 0.220 667 A C 1.975 179.350 177.584 -0.349 0.000 1.177 667 A CA 1.659 53.138 52.037 -0.931 0.000 0.636 667 A CB -0.576 17.562 19.000 -1.436 0.000 0.815 667 A HN 0.639 nan 8.150 nan 0.000 0.449 668 L N -0.937 120.035 121.223 -0.417 0.000 2.081 668 L HA -0.210 4.130 4.340 0.000 0.000 0.212 668 L C 2.205 178.809 176.870 -0.444 0.000 1.080 668 L CA 2.803 57.378 54.840 -0.442 0.000 0.754 668 L CB -0.910 40.850 42.059 -0.499 0.000 0.893 668 L HN 0.596 nan 8.230 nan 0.000 0.433 669 H N -2.144 116.657 119.070 -0.447 0.000 2.357 669 H HA -0.137 4.419 4.556 0.000 0.000 0.301 669 H C 1.896 176.899 175.328 -0.541 0.000 1.082 669 H CA 2.177 57.833 56.048 -0.653 0.000 1.342 669 H CB -0.160 28.967 29.762 -1.058 0.000 1.389 669 H HN 0.450 nan 8.280 nan 0.000 0.511 670 Y N 0.183 120.492 120.300 0.014 0.000 2.181 670 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 670 Y C 2.577 178.434 175.900 -0.072 0.000 1.146 670 Y CA 1.218 59.408 58.100 0.150 0.000 1.164 670 Y CB -0.184 38.442 38.460 0.276 0.000 0.982 670 Y HN 0.262 nan 8.280 nan 0.000 0.515 671 Q N -0.296 119.473 119.800 -0.052 0.000 2.167 671 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 671 Q C 2.557 178.346 176.000 -0.353 0.000 0.970 671 Q CA 1.216 56.910 55.803 -0.180 0.000 0.855 671 Q CB -0.568 28.016 28.738 -0.256 0.000 0.911 671 Q HN 0.542 nan 8.270 nan 0.000 0.438 672 A N 1.546 124.038 122.820 -0.546 0.000 1.898 672 A HA -0.189 4.131 4.320 0.000 0.000 0.216 672 A C 2.142 179.343 177.584 -0.638 0.000 1.181 672 A CA 1.651 53.185 52.037 -0.837 0.000 0.620 672 A CB -0.411 18.042 19.000 -0.911 0.000 0.819 672 A HN 0.299 nan 8.150 nan 0.000 0.442 673 K N -0.180 119.990 120.400 -0.383 0.000 2.032 673 K HA -0.203 4.117 4.320 0.000 0.000 0.209 673 K C 2.223 178.810 176.600 -0.022 0.000 1.048 673 K CA 1.683 57.900 56.287 -0.116 0.000 0.927 673 K CB -0.206 32.302 32.500 0.014 0.000 0.712 673 K HN 0.457 nan 8.250 nan 0.000 0.441 674 R N -0.076 120.399 120.500 -0.042 0.000 2.066 674 R HA -0.049 4.291 4.340 0.000 0.000 0.232 674 R C 2.417 178.694 176.300 -0.038 0.000 1.131 674 R CA 1.265 57.360 56.100 -0.010 0.000 0.955 674 R CB -0.381 29.920 30.300 0.002 0.000 0.851 674 R HN 0.257 nan 8.270 nan 0.000 0.432 675 A N 0.355 123.085 122.820 -0.149 0.000 2.067 675 A HA -0.083 4.237 4.320 0.000 0.000 0.219 675 A C 1.218 178.849 177.584 0.077 0.000 1.158 675 A CA 0.989 52.948 52.037 -0.130 0.000 0.661 675 A CB -0.202 18.619 19.000 -0.299 0.000 0.801 675 A HN 0.188 nan 8.150 nan 0.000 0.452 676 F N -0.300 119.622 119.950 -0.046 0.000 2.727 676 F HA 0.447 4.974 4.527 0.000 0.000 0.302 676 F C 1.430 177.215 175.800 -0.024 0.000 1.097 676 F CA -0.913 57.067 58.000 -0.032 0.000 1.330 676 F CB -0.949 38.028 39.000 -0.038 0.000 1.084 676 F HN 0.169 nan 8.300 nan 0.000 0.578 677 A N 1.405 124.320 122.820 0.159 0.000 2.540 677 A HA 0.158 4.478 4.320 0.000 0.000 0.239 677 A C -1.163 176.466 177.584 0.076 0.000 1.061 677 A CA -0.764 51.332 52.037 0.098 0.000 0.758 677 A CB -0.203 18.837 19.000 0.067 0.000 0.991 677 A HN 0.083 nan 8.150 nan 0.000 0.502 678 P HA -0.119 nan 4.420 nan 0.000 0.216 678 P C 0.088 177.423 177.300 0.057 0.000 1.157 678 P CA 1.185 64.325 63.100 0.067 0.000 0.880 678 P CB 0.027 31.776 31.700 0.080 0.000 0.791 679 V N 0.126 120.068 119.914 0.048 0.000 2.448 679 V HA 0.381 4.501 4.120 0.000 0.000 0.295 679 V C -0.354 175.755 176.094 0.025 0.000 1.025 679 V CA -0.712 61.608 62.300 0.033 0.000 0.859 679 V CB 1.702 33.543 31.823 0.029 0.000 0.988 679 V HN -0.162 nan 8.190 nan 0.000 0.431 680 L N 6.762 127.995 121.223 0.017 0.000 2.381 680 L HA 0.669 5.009 4.340 0.000 0.000 0.274 680 L C -0.659 176.220 176.870 0.015 0.000 0.988 680 L CA -0.013 54.834 54.840 0.013 0.000 0.824 680 L CB 1.599 43.660 42.059 0.003 0.000 1.263 680 L HN 0.556 nan 8.230 nan 0.000 0.410 681 I N 4.876 125.454 120.570 0.013 0.000 2.371 681 I HA 0.298 4.468 4.170 0.000 0.000 0.290 681 I C 0.223 176.355 176.117 0.026 0.000 1.028 681 I CA 0.101 61.414 61.300 0.021 0.000 1.345 681 I CB 0.767 38.772 38.000 0.008 0.000 1.407 681 I HN 0.661 nan 8.210 nan 0.000 0.501 682 N N 8.295 127.025 118.700 0.050 0.000 2.682 682 N HA 0.357 5.097 4.740 0.000 0.000 0.252 682 N C -2.763 172.788 175.510 0.067 0.000 1.081 682 N CA -1.610 51.461 53.050 0.035 0.000 0.844 682 N CB 1.531 40.015 38.487 -0.006 0.000 1.167 682 N HN 0.202 nan 8.380 nan 0.000 0.523 683 P HA 0.216 nan 4.420 nan 0.000 0.282 683 P C -0.844 176.422 177.300 -0.057 0.000 1.262 683 P CA -0.357 62.708 63.100 -0.058 0.000 0.773 683 P CB 1.123 32.692 31.700 -0.218 0.000 0.879 684 I N 2.102 122.670 120.570 -0.004 0.000 2.499 684 I HA 0.362 4.533 4.170 0.000 0.000 0.288 684 I C -0.948 175.218 176.117 0.082 0.000 1.048 684 I CA -0.891 60.441 61.300 0.054 0.000 1.062 684 I CB 1.922 39.935 38.000 0.023 0.000 1.238 684 I HN 0.260 nan 8.210 nan 0.000 0.426 685 Q N 6.605 126.499 119.800 0.157 0.000 2.322 685 Q HA 0.644 4.984 4.340 0.000 0.000 0.265 685 Q C -1.655 174.449 176.000 0.173 0.000 0.985 685 Q CA -0.530 55.385 55.803 0.187 0.000 0.849 685 Q CB 1.305 30.231 28.738 0.313 0.000 1.274 685 Q HN 0.751 nan 8.270 nan 0.000 0.449 686 Q N 2.408 122.294 119.800 0.143 0.000 2.377 686 Q HA 0.296 4.636 4.340 0.000 0.000 0.279 686 Q C -1.038 175.021 176.000 0.099 0.000 1.049 686 Q CA -0.879 54.993 55.803 0.115 0.000 0.825 686 Q CB 1.821 30.618 28.738 0.099 0.000 1.401 686 Q HN 0.887 nan 8.270 nan 0.000 0.404 687 N N 1.434 120.183 118.700 0.082 0.000 2.714 687 N HA -0.245 4.495 4.740 0.000 0.000 0.252 687 N C -1.053 174.502 175.510 0.074 0.000 1.014 687 N CA 0.889 53.979 53.050 0.067 0.000 0.735 687 N CB -0.796 37.725 38.487 0.057 0.000 0.924 687 N HN 0.884 nan 8.380 nan 0.000 0.540 688 D N -1.282 119.171 120.400 0.089 0.000 2.772 688 D HA -0.201 4.439 4.640 0.000 0.000 0.233 688 D C -0.939 175.433 176.300 0.119 0.000 1.143 688 D CA 1.686 55.743 54.000 0.096 0.000 0.700 688 D CB -0.829 40.010 40.800 0.064 0.000 1.076 688 D HN 0.534 nan 8.370 nan 0.000 0.430 689 S N -0.832 114.952 115.700 0.140 0.000 2.546 689 S HA 0.683 5.153 4.470 0.000 0.000 0.274 689 S C -1.572 173.140 174.600 0.186 0.000 1.121 689 S CA -0.994 57.299 58.200 0.154 0.000 0.887 689 S CB 1.394 64.651 63.200 0.095 0.000 1.094 689 S HN 0.319 nan 8.310 nan 0.000 0.474 690 L N 3.427 124.787 121.223 0.230 0.000 2.307 690 L HA 0.796 5.136 4.340 0.000 0.000 0.284 690 L C -0.566 176.393 176.870 0.149 0.000 1.023 690 L CA 0.298 55.270 54.840 0.220 0.000 0.810 690 L CB 1.781 44.070 42.059 0.383 0.000 1.231 690 L HN 0.652 nan 8.230 nan 0.000 0.423 691 S N 3.074 118.853 115.700 0.132 0.000 2.568 691 S HA 0.800 5.270 4.470 0.000 0.000 0.302 691 S C -1.085 173.613 174.600 0.164 0.000 1.082 691 S CA -0.607 57.664 58.200 0.118 0.000 1.009 691 S CB 2.068 65.365 63.200 0.161 0.000 1.069 691 S HN 0.418 nan 8.310 nan 0.000 0.500 692 V N 2.940 122.926 119.914 0.121 0.000 2.444 692 V HA 0.446 4.566 4.120 0.000 0.000 0.294 692 V C -1.455 174.664 176.094 0.041 0.000 1.022 692 V CA -0.593 61.783 62.300 0.126 0.000 0.850 692 V CB 0.808 32.693 31.823 0.103 0.000 0.992 692 V HN 0.858 nan 8.190 nan 0.000 0.426 693 Y N 4.310 124.611 120.300 0.003 0.000 2.420 693 Y HA 0.666 5.216 4.550 0.000 0.000 0.334 693 Y C 0.063 175.954 175.900 -0.013 0.000 1.094 693 Y CA -0.902 57.195 58.100 -0.005 0.000 1.126 693 Y CB 1.901 40.349 38.460 -0.020 0.000 1.217 693 Y HN 0.393 nan 8.280 nan 0.000 0.462 694 L N 4.879 126.175 121.223 0.122 0.000 2.313 694 L HA 0.568 4.908 4.340 0.000 0.000 0.283 694 L C -0.910 176.005 176.870 0.074 0.000 1.013 694 L CA -0.547 54.334 54.840 0.068 0.000 0.816 694 L CB 1.386 43.461 42.059 0.027 0.000 1.236 694 L HN 0.524 nan 8.230 nan 0.000 0.419 695 I N 2.286 122.882 120.570 0.044 0.000 2.466 695 I HA 0.368 4.538 4.170 0.000 0.000 0.289 695 I C -0.310 175.812 176.117 0.008 0.000 1.026 695 I CA -0.245 61.062 61.300 0.012 0.000 1.078 695 I CB 2.190 40.169 38.000 -0.035 0.000 1.249 695 I HN 0.507 nan 8.210 nan 0.000 0.429 696 S N 3.891 119.600 115.700 0.016 0.000 2.557 696 S HA 0.387 4.857 4.470 0.000 0.000 0.291 696 S C -0.490 174.151 174.600 0.068 0.000 1.116 696 S CA -0.637 57.587 58.200 0.041 0.000 0.992 696 S CB 1.421 64.650 63.200 0.048 0.000 1.028 696 S HN 0.582 nan 8.310 nan 0.000 0.484 697 D N 2.982 123.445 120.400 0.105 0.000 2.424 697 D HA 0.193 4.833 4.640 0.000 0.000 0.220 697 D C 0.268 176.777 176.300 0.349 0.000 1.150 697 D CA -0.023 54.107 54.000 0.217 0.000 0.831 697 D CB 0.400 41.293 40.800 0.155 0.000 0.981 697 D HN 0.472 nan 8.370 nan 0.000 0.500 698 R N 0.276 120.897 120.500 0.202 0.000 2.641 698 R HA 0.276 4.616 4.340 0.000 0.000 0.269 698 R C 1.516 177.844 176.300 0.048 0.000 1.074 698 R CA -0.299 55.890 56.100 0.149 0.000 1.133 698 R CB 1.342 31.689 30.300 0.078 0.000 1.029 698 R HN -0.003 nan 8.270 nan 0.000 0.488 699 L N 0.932 122.090 121.223 -0.109 0.000 2.395 699 L HA -0.045 4.295 4.340 0.000 0.000 0.218 699 L C 0.474 177.262 176.870 -0.137 0.000 1.130 699 L CA 0.610 55.286 54.840 -0.273 0.000 0.826 699 L CB -0.325 41.456 42.059 -0.463 0.000 0.941 699 L HN 0.687 nan 8.230 nan 0.000 0.451 700 D N -1.084 119.276 120.400 -0.067 0.000 2.185 700 D HA 0.150 4.790 4.640 0.000 0.000 0.247 700 D C -0.181 176.113 176.300 -0.010 0.000 1.027 700 D CA -0.418 53.560 54.000 -0.037 0.000 0.861 700 D CB 1.241 42.027 40.800 -0.024 0.000 1.202 700 D HN -0.267 nan 8.370 nan 0.000 0.453 701 T N 1.684 116.233 114.554 -0.007 0.000 2.918 701 T HA 0.236 4.587 4.350 0.000 0.000 0.302 701 T C 0.483 175.190 174.700 0.011 0.000 1.045 701 T CA -0.166 61.937 62.100 0.005 0.000 1.114 701 T CB 0.425 69.295 68.868 0.003 0.000 0.965 701 T HN 0.268 nan 8.240 nan 0.000 0.540 702 M N 2.780 122.390 119.600 0.016 0.000 2.268 702 M HA 0.397 4.877 4.480 0.000 0.000 0.344 702 M C -0.021 176.290 176.300 0.018 0.000 1.106 702 M CA -0.454 54.858 55.300 0.020 0.000 1.010 702 M CB 1.686 34.300 32.600 0.024 0.000 1.649 702 M HN 0.579 nan 8.290 nan 0.000 0.443 703 E N 1.266 121.478 120.200 0.020 0.000 2.277 703 E HA 0.339 4.689 4.350 0.000 0.000 0.266 703 E C -1.010 175.605 176.600 0.024 0.000 0.901 703 E CA -0.701 55.710 56.400 0.019 0.000 0.782 703 E CB 1.688 31.397 29.700 0.016 0.000 1.228 703 E HN 0.550 nan 8.360 nan 0.000 0.424 704 Q N 1.170 120.986 119.800 0.026 0.000 2.452 704 Q HA -0.210 4.130 4.340 0.000 0.000 0.318 704 Q C -0.512 175.514 176.000 0.043 0.000 1.386 704 Q CA 0.405 56.229 55.803 0.035 0.000 0.872 704 Q CB -1.104 27.653 28.738 0.031 0.000 1.151 704 Q HN 0.392 nan 8.270 nan 0.000 0.417 705 M N -0.110 119.510 119.600 0.034 0.000 2.359 705 M HA 0.418 4.898 4.480 0.000 0.000 0.322 705 M C 0.549 176.862 176.300 0.021 0.000 1.166 705 M CA -0.042 55.274 55.300 0.026 0.000 1.067 705 M CB 1.287 33.892 32.600 0.009 0.000 1.523 705 M HN -0.023 nan 8.290 nan 0.000 0.467 706 T N 2.478 117.032 114.554 -0.001 0.000 2.812 706 T HA 0.542 4.892 4.350 0.000 0.000 0.282 706 T C -0.918 173.710 174.700 -0.120 0.000 0.990 706 T CA -0.546 61.506 62.100 -0.081 0.000 0.960 706 T CB 1.437 70.273 68.868 -0.053 0.000 0.948 706 T HN 0.472 nan 8.240 nan 0.000 0.438 707 L N 3.769 124.891 121.223 -0.168 0.000 2.264 707 L HA 0.554 4.895 4.340 0.000 0.000 0.289 707 L C -0.022 176.720 176.870 -0.213 0.000 1.044 707 L CA -0.139 54.605 54.840 -0.160 0.000 0.807 707 L CB 0.700 42.669 42.059 -0.150 0.000 1.192 707 L HN 0.644 nan 8.230 nan 0.000 0.425 708 E N 5.620 125.724 120.200 -0.161 0.000 2.187 708 E HA 0.558 4.908 4.350 0.000 0.000 0.268 708 E C -1.455 175.075 176.600 -0.118 0.000 0.896 708 E CA -0.610 55.700 56.400 -0.151 0.000 0.766 708 E CB 1.234 30.874 29.700 -0.100 0.000 1.142 708 E HN 0.721 nan 8.360 nan 0.000 0.408 709 M N 3.758 123.280 119.600 -0.130 0.000 2.530 709 M HA 0.445 4.925 4.480 0.000 0.000 0.307 709 M C -1.049 175.245 176.300 -0.011 0.000 1.161 709 M CA -0.761 54.497 55.300 -0.070 0.000 0.903 709 M CB 2.375 34.906 32.600 -0.115 0.000 1.711 709 M HN 0.372 nan 8.290 nan 0.000 0.451 710 K N 0.461 120.883 120.400 0.037 0.000 2.532 710 K HA 0.741 5.061 4.320 0.000 0.000 0.265 710 K C -1.685 174.942 176.600 0.044 0.000 0.948 710 K CA -1.020 55.298 56.287 0.052 0.000 0.842 710 K CB 1.829 34.337 32.500 0.013 0.000 1.392 710 K HN 0.421 nan 8.250 nan 0.000 0.436 711 V N 2.069 122.011 119.914 0.047 0.000 2.498 711 V HA 0.332 4.452 4.120 0.000 0.000 0.279 711 V C -0.462 175.507 176.094 -0.208 0.000 1.048 711 V CA -0.626 61.641 62.300 -0.055 0.000 0.967 711 V CB 1.209 33.014 31.823 -0.031 0.000 0.988 711 V HN 0.555 nan 8.190 nan 0.000 0.473 712 V N 4.393 124.019 119.914 -0.479 0.000 2.588 712 V HA 0.407 4.527 4.120 0.000 0.000 0.304 712 V C -0.395 175.368 176.094 -0.552 0.000 1.042 712 V CA -0.877 61.099 62.300 -0.541 0.000 0.877 712 V CB 2.151 33.540 31.823 -0.724 0.000 0.996 712 V HN 1.069 nan 8.190 nan 0.000 0.425 713 D N 2.675 122.924 120.400 -0.252 0.000 2.411 713 D HA 0.200 4.840 4.640 0.000 0.000 0.251 713 D C 0.614 176.986 176.300 0.120 0.000 1.201 713 D CA -0.533 53.371 54.000 -0.161 0.000 0.996 713 D CB 0.504 41.221 40.800 -0.137 0.000 1.101 713 D HN 0.234 nan 8.370 nan 0.000 0.504 714 F N -0.566 119.431 119.950 0.079 0.000 2.722 714 F HA 0.030 4.558 4.527 0.000 0.000 0.298 714 F C 1.197 177.061 175.800 0.108 0.000 1.175 714 F CA 0.250 58.354 58.000 0.174 0.000 1.462 714 F CB -0.570 38.530 39.000 0.167 0.000 1.111 714 F HN 0.321 nan 8.300 nan 0.000 0.592 715 D N -1.210 119.325 120.400 0.225 0.000 2.407 715 D HA 0.214 4.854 4.640 0.000 0.000 0.208 715 D C 2.088 178.449 176.300 0.101 0.000 1.083 715 D CA 0.950 55.028 54.000 0.130 0.000 0.844 715 D CB 0.698 41.550 40.800 0.087 0.000 0.967 715 D HN 0.302 nan 8.370 nan 0.000 0.506 716 G N 0.329 109.194 108.800 0.109 0.000 2.184 716 G HA2 -0.164 3.796 3.960 0.000 0.000 0.206 716 G HA3 -0.164 3.796 3.960 0.000 0.000 0.206 716 G C 0.541 175.459 174.900 0.031 0.000 0.995 716 G CA 0.188 45.338 45.100 0.083 0.000 0.651 716 G HN 0.593 nan 8.290 nan 0.000 0.511 717 K N 0.973 121.377 120.400 0.006 0.000 2.258 717 K HA 0.750 5.070 4.320 0.000 0.000 0.284 717 K C 0.493 177.061 176.600 -0.053 0.000 1.051 717 K CA 0.456 56.734 56.287 -0.014 0.000 0.923 717 K CB 0.502 32.996 32.500 -0.010 0.000 1.046 717 K HN 0.559 nan 8.250 nan 0.000 0.474 718 T N 2.923 117.451 114.554 -0.042 0.000 2.888 718 T HA 0.272 4.622 4.350 0.000 0.000 0.301 718 T C 0.244 174.914 174.700 -0.049 0.000 1.001 718 T CA 0.069 62.137 62.100 -0.053 0.000 1.147 718 T CB -0.229 68.625 68.868 -0.024 0.000 0.931 718 T HN 0.438 nan 8.240 nan 0.000 0.541 719 L N 3.863 125.047 121.223 -0.065 0.000 2.265 719 L HA 0.593 4.934 4.340 0.000 0.000 0.289 719 L C 1.148 178.017 176.870 -0.003 0.000 1.033 719 L CA -0.341 54.469 54.840 -0.051 0.000 0.814 719 L CB 0.523 42.524 42.059 -0.096 0.000 1.203 719 L HN 0.983 nan 8.230 nan 0.000 0.423 720 G N 1.629 110.437 108.800 0.013 0.000 2.632 720 G HA2 -0.055 3.905 3.960 0.000 0.000 0.224 720 G HA3 -0.055 3.905 3.960 0.000 0.000 0.224 720 G C -0.464 174.458 174.900 0.037 0.000 1.341 720 G CA -0.162 44.965 45.100 0.045 0.000 0.880 720 G HN 0.786 nan 8.290 nan 0.000 0.566 721 K N 0.103 120.528 120.400 0.043 0.000 2.139 721 K HA 0.784 5.104 4.320 0.000 0.000 0.243 721 K C 0.687 177.301 176.600 0.024 0.000 0.983 721 K CA 0.205 56.507 56.287 0.025 0.000 0.890 721 K CB 0.485 nan 32.500 nan 0.000 1.090 721 K HN 0.892 nan 8.250 nan 0.000 0.445 722 K N 0.508 120.913 120.400 0.008 0.000 2.436 722 K HA 0.249 4.570 4.320 0.000 0.000 0.275 722 K C -0.322 176.258 176.600 -0.034 0.000 0.999 722 K CA 0.168 56.450 56.287 -0.009 0.000 0.980 722 K CB 0.165 32.658 32.500 -0.013 0.000 0.919 722 K HN 0.514 nan 8.250 nan 0.000 0.484 723 I N 2.551 123.074 120.570 -0.078 0.000 2.412 723 I HA 0.123 4.293 4.170 0.000 0.000 0.296 723 I C -0.006 175.996 176.117 -0.190 0.000 0.987 723 I CA -0.562 60.650 61.300 -0.146 0.000 1.180 723 I CB 1.397 39.248 38.000 -0.249 0.000 1.340 723 I HN 0.320 nan 8.210 nan 0.000 0.455 724 Q N 5.670 125.361 119.800 -0.182 0.000 2.337 724 Q HA 0.583 4.924 4.340 0.000 0.000 0.270 724 Q C -1.323 174.502 176.000 -0.291 0.000 1.043 724 Q CA -0.823 54.812 55.803 -0.280 0.000 0.794 724 Q CB 3.263 31.862 28.738 -0.233 0.000 1.281 724 Q HN 0.404 nan 8.270 nan 0.000 0.446 725 V N 3.197 122.896 119.914 -0.358 0.000 2.349 725 V HA 0.334 4.454 4.120 0.000 0.000 0.284 725 V C -0.212 175.723 176.094 -0.265 0.000 1.014 725 V CA -0.742 61.432 62.300 -0.211 0.000 0.826 725 V CB 1.051 32.806 31.823 -0.114 0.000 1.009 725 V HN 0.682 nan 8.190 nan 0.000 0.431 726 H N 2.060 121.119 119.070 -0.018 0.000 2.570 726 H HA 0.464 5.020 4.556 0.000 0.000 0.342 726 H C 0.802 176.124 175.328 -0.009 0.000 1.245 726 H CA 0.058 56.098 56.048 -0.014 0.000 1.318 726 H CB 1.787 31.541 29.762 -0.012 0.000 1.694 726 H HN 0.705 nan 8.280 nan 0.000 0.592 727 S N -0.038 115.747 115.700 0.141 0.000 3.698 727 S HA -0.161 4.310 4.470 0.000 0.000 0.338 727 S C 0.135 174.759 174.600 0.040 0.000 1.089 727 S CA 0.064 58.307 58.200 0.071 0.000 0.991 727 S CB -1.770 61.465 63.200 0.059 0.000 0.909 727 S HN 0.352 nan 8.310 nan 0.000 0.485 728 L N 1.202 122.443 121.223 0.030 0.000 2.312 728 L HA 0.489 4.829 4.340 0.000 0.000 0.281 728 L C 0.574 177.451 176.870 0.012 0.000 1.070 728 L CA -0.065 54.782 54.840 0.011 0.000 0.805 728 L CB 1.034 43.089 42.059 -0.006 0.000 1.174 728 L HN 0.297 nan 8.230 nan 0.000 0.434 729 E N 2.346 122.551 120.200 0.009 0.000 2.166 729 E HA 0.424 4.774 4.350 0.000 0.000 0.275 729 E C -1.462 175.144 176.600 0.010 0.000 0.941 729 E CA -0.701 55.706 56.400 0.011 0.000 0.784 729 E CB 1.886 31.592 29.700 0.010 0.000 1.115 729 E HN 0.316 nan 8.360 nan 0.000 0.399 730 V N 6.574 126.496 119.914 0.013 0.000 2.257 730 V HA 0.296 4.416 4.120 0.000 0.000 0.269 730 V C -2.286 173.820 176.094 0.021 0.000 1.040 730 V CA -1.866 60.444 62.300 0.018 0.000 0.813 730 V CB 0.596 32.431 31.823 0.019 0.000 1.065 730 V HN 0.701 nan 8.190 nan 0.000 0.457 731 P HA 0.160 nan 4.420 nan 0.000 0.269 731 P C 0.145 177.461 177.300 0.027 0.000 1.209 731 P CA 0.132 63.245 63.100 0.021 0.000 0.776 731 P CB 0.608 32.322 31.700 0.023 0.000 0.876 732 A N 3.175 126.007 122.820 0.020 0.000 2.565 732 A HA 0.021 4.341 4.320 0.000 0.000 0.237 732 A C 0.719 178.334 177.584 0.053 0.000 1.053 732 A CA 0.184 52.236 52.037 0.024 0.000 0.755 732 A CB -0.975 18.016 19.000 -0.015 0.000 0.980 732 A HN 0.731 nan 8.150 nan 0.000 0.506 733 N N -0.144 118.613 118.700 0.094 0.000 2.738 733 N HA -0.150 4.590 4.740 0.000 0.000 0.249 733 N C 0.012 175.576 175.510 0.089 0.000 1.047 733 N CA 1.647 54.778 53.050 0.135 0.000 0.707 733 N CB -1.408 37.185 38.487 0.178 0.000 0.937 733 N HN 1.299 nan 8.380 nan 0.000 0.545 734 T N -4.179 110.411 114.554 0.060 0.000 2.864 734 T HA 0.661 5.012 4.350 0.000 0.000 0.299 734 T C -0.433 174.290 174.700 0.039 0.000 1.166 734 T CA -0.686 61.444 62.100 0.051 0.000 1.007 734 T CB 2.628 71.526 68.868 0.050 0.000 1.219 734 T HN 0.077 nan 8.240 nan 0.000 0.506 735 S N 0.494 116.228 115.700 0.057 0.000 2.552 735 S HA 0.658 5.128 4.470 0.000 0.000 0.314 735 S C -1.210 173.494 174.600 0.173 0.000 1.099 735 S CA -0.741 57.516 58.200 0.095 0.000 1.070 735 S CB 0.340 63.570 63.200 0.050 0.000 0.998 735 S HN 0.747 nan 8.310 nan 0.000 0.474 736 K N 2.675 123.177 120.400 0.170 0.000 2.464 736 K HA 0.406 4.727 4.320 0.000 0.000 0.253 736 K C -1.177 175.344 176.600 -0.132 0.000 0.933 736 K CA -0.733 55.596 56.287 0.070 0.000 0.801 736 K CB 1.832 34.341 32.500 0.014 0.000 1.271 736 K HN 0.682 nan 8.250 nan 0.000 0.430 737 C N 3.197 122.216 119.300 -0.468 0.000 2.576 737 C HA 0.255 4.715 4.460 0.000 0.000 0.401 737 C C 1.519 176.302 174.990 -0.344 0.000 1.314 737 C CA -0.223 58.289 59.018 -0.844 0.000 1.855 737 C CB -0.896 26.300 27.740 -0.906 0.000 2.537 737 C HN 0.706 nan 8.230 nan 0.000 0.578 738 V N 3.331 123.104 119.914 -0.235 0.000 3.502 738 V HA 0.400 4.520 4.120 0.000 0.000 0.288 738 V C -0.251 175.852 176.094 0.015 0.000 1.461 738 V CA -0.001 62.247 62.300 -0.085 0.000 1.029 738 V CB -0.768 31.028 31.823 -0.045 0.000 0.843 738 V HN 0.805 nan 8.190 nan 0.000 0.438 739 Y N 0.822 121.017 120.300 -0.175 0.000 2.436 739 Y HA 0.739 5.289 4.550 0.000 0.000 0.327 739 Y C -0.761 175.065 175.900 -0.123 0.000 1.138 739 Y CA -1.079 56.940 58.100 -0.136 0.000 1.042 739 Y CB 1.712 40.102 38.460 -0.117 0.000 1.302 739 Y HN 0.218 nan 8.280 nan 0.000 0.439 740 R N 4.221 124.316 120.500 -0.674 0.000 2.533 740 R HA 0.917 5.257 4.340 0.000 0.000 0.288 740 R C -2.050 173.865 176.300 -0.641 0.000 1.039 740 R CA -0.656 55.170 56.100 -0.456 0.000 0.909 740 R CB 1.590 31.739 30.300 -0.251 0.000 1.195 740 R HN 0.804 nan 8.270 nan 0.000 0.438 741 A N 3.898 126.499 122.820 -0.365 0.000 2.517 741 A HA 0.409 4.729 4.320 0.000 0.000 0.297 741 A C -1.249 176.360 177.584 0.042 0.000 1.050 741 A CA -0.889 50.998 52.037 -0.249 0.000 0.694 741 A CB 1.417 20.182 19.000 -0.392 0.000 1.277 741 A HN 0.701 nan 8.150 nan 0.000 0.400 742 K N 1.401 121.832 120.400 0.053 0.000 2.355 742 K HA 0.246 4.566 4.320 0.000 0.000 0.270 742 K C 0.675 177.442 176.600 0.278 0.000 1.003 742 K CA -0.197 56.170 56.287 0.133 0.000 0.957 742 K CB 0.596 33.141 32.500 0.075 0.000 0.939 742 K HN 0.641 nan 8.250 nan 0.000 0.482 743 L N 0.875 122.238 121.223 0.233 0.000 2.217 743 L HA -0.083 4.257 4.340 0.000 0.000 0.211 743 L C 0.604 177.540 176.870 0.110 0.000 1.107 743 L CA 0.510 55.456 54.840 0.177 0.000 0.783 743 L CB -0.242 41.836 42.059 0.031 0.000 0.919 743 L HN 0.699 nan 8.230 nan 0.000 0.442 744 D N 0.373 120.827 120.400 0.090 0.000 2.382 744 D HA 0.266 4.906 4.640 0.000 0.000 0.259 744 D C 1.086 177.433 176.300 0.079 0.000 1.224 744 D CA 1.182 55.215 54.000 0.055 0.000 0.894 744 D CB 0.576 41.399 40.800 0.038 0.000 1.127 744 D HN 0.314 nan 8.370 nan 0.000 0.487 745 G N 3.285 112.123 108.800 0.063 0.000 2.159 745 G HA2 -0.305 3.655 3.960 0.000 0.000 0.256 745 G HA3 -0.305 3.655 3.960 0.000 0.000 0.256 745 G C 0.525 175.520 174.900 0.158 0.000 0.977 745 G CA 0.439 45.584 45.100 0.076 0.000 0.652 745 G HN 0.569 nan 8.290 nan 0.000 0.531 746 W N 0.095 121.362 121.300 -0.056 0.000 3.033 746 W HA 0.634 5.295 4.660 0.000 0.000 0.250 746 W C 0.247 176.700 176.519 -0.109 0.000 1.105 746 W CA 0.324 57.631 57.345 -0.063 0.000 1.655 746 W CB 0.268 29.702 29.460 -0.043 0.000 1.001 746 W HN 0.108 nan 8.180 nan 0.000 0.653 747 L N 2.477 123.556 121.223 -0.240 0.000 2.408 747 L HA 0.312 4.652 4.340 0.000 0.000 0.268 747 L C 0.440 177.137 176.870 -0.289 0.000 0.986 747 L CA -0.664 53.889 54.840 -0.477 0.000 0.820 747 L CB 2.038 43.515 42.059 -0.970 0.000 1.303 747 L HN -0.119 nan 8.230 nan 0.000 0.411 748 T N -1.005 113.408 114.554 -0.236 0.000 2.882 748 T HA 0.268 4.618 4.350 0.000 0.000 0.287 748 T C -1.955 172.642 174.700 -0.173 0.000 1.014 748 T CA -1.523 60.482 62.100 -0.159 0.000 1.049 748 T CB 1.349 70.147 68.868 -0.118 0.000 1.001 748 T HN 0.312 nan 8.240 nan 0.000 0.525 749 P HA -0.137 nan 4.420 nan 0.000 0.216 749 P C 1.455 178.699 177.300 -0.094 0.000 1.150 749 P CA 1.272 64.317 63.100 -0.092 0.000 0.843 749 P CB 0.085 31.751 31.700 -0.057 0.000 0.787 750 E N -0.280 119.862 120.200 -0.096 0.000 2.031 750 E HA -0.225 4.125 4.350 0.000 0.000 0.193 750 E C 1.523 178.036 176.600 -0.144 0.000 0.994 750 E CA 1.415 57.756 56.400 -0.098 0.000 0.800 750 E CB -0.496 29.154 29.700 -0.083 0.000 0.752 750 E HN 0.106 nan 8.360 nan 0.000 0.447 751 D N 0.391 120.678 120.400 -0.187 0.000 2.133 751 D HA -0.194 4.446 4.640 0.000 0.000 0.195 751 D C 2.076 178.212 176.300 -0.273 0.000 0.997 751 D CA 1.374 55.219 54.000 -0.258 0.000 0.840 751 D CB -0.693 39.910 40.800 -0.327 0.000 0.947 751 D HN 0.323 nan 8.370 nan 0.000 0.452 752 C N 0.519 119.663 119.300 -0.259 0.000 2.410 752 C HA -0.081 4.379 4.460 0.000 0.000 0.281 752 C C 2.320 177.331 174.990 0.035 0.000 1.318 752 C CA 0.394 59.330 59.018 -0.137 0.000 1.776 752 C CB -0.912 26.762 27.740 -0.109 0.000 1.942 752 C HN 0.326 nan 8.230 nan 0.000 0.508 753 R N -0.134 120.345 120.500 -0.036 0.000 2.317 753 R HA 0.126 4.466 4.340 0.000 0.000 0.208 753 R C 1.390 177.627 176.300 -0.106 0.000 0.914 753 R CA 0.322 56.430 56.100 0.014 0.000 1.060 753 R CB 0.055 30.357 30.300 0.003 0.000 1.015 753 R HN 0.550 nan 8.270 nan 0.000 0.498 754 R N -0.085 120.194 120.500 -0.369 0.000 2.549 754 R HA 0.148 4.488 4.340 0.000 0.000 0.399 754 R C -0.354 175.169 176.300 -1.296 0.000 0.964 754 R CA 0.037 55.594 56.100 -0.904 0.000 1.173 754 R CB 1.322 31.351 30.300 -0.452 0.000 1.535 754 R HN 0.061 nan 8.270 nan 0.000 0.551 755 S N -0.202 115.069 115.700 -0.716 0.000 2.688 755 S HA 0.752 5.222 4.470 0.000 0.000 0.275 755 S C -0.901 173.851 174.600 0.253 0.000 1.175 755 S CA -0.926 57.098 58.200 -0.294 0.000 0.818 755 S CB 1.635 64.673 63.200 -0.269 0.000 1.157 755 S HN 0.163 nan 8.310 nan 0.000 0.482 756 F N -1.174 118.847 119.950 0.118 0.000 2.685 756 F HA 0.880 5.407 4.527 0.000 0.000 0.315 756 F C -1.709 174.049 175.800 -0.070 0.000 1.126 756 F CA -1.410 56.465 58.000 -0.207 0.000 0.950 756 F CB 0.843 39.378 39.000 -0.775 0.000 1.360 756 F HN 0.656 nan 8.300 nan 0.000 0.469 757 L N 2.333 123.557 121.223 0.001 0.000 2.307 757 L HA 0.585 4.925 4.340 0.000 0.000 0.284 757 L C -0.754 176.218 176.870 0.170 0.000 1.023 757 L CA -0.406 54.493 54.840 0.099 0.000 0.810 757 L CB 1.529 43.673 42.059 0.141 0.000 1.231 757 L HN 0.749 nan 8.230 nan 0.000 0.423 758 K N 3.907 124.399 120.400 0.154 0.000 2.182 758 K HA 0.743 5.063 4.320 0.000 0.000 0.262 758 K C -1.627 175.015 176.600 0.069 0.000 0.957 758 K CA -0.466 55.912 56.287 0.151 0.000 0.842 758 K CB 1.103 33.699 32.500 0.160 0.000 1.099 758 K HN 0.457 nan 8.250 nan 0.000 0.438 759 L N 5.076 126.323 121.223 0.040 0.000 2.410 759 L HA 0.566 4.906 4.340 0.000 0.000 0.270 759 L C -0.956 175.907 176.870 -0.011 0.000 0.983 759 L CA -0.709 54.131 54.840 0.000 0.000 0.822 759 L CB 1.547 43.604 42.059 -0.004 0.000 1.285 759 L HN 0.539 nan 8.230 nan 0.000 0.409 760 I N 0.681 121.231 120.570 -0.033 0.000 2.828 760 I HA 0.813 4.983 4.170 0.000 0.000 0.302 760 I C -1.338 174.747 176.117 -0.054 0.000 1.101 760 I CA -1.023 60.254 61.300 -0.038 0.000 1.031 760 I CB 2.030 40.010 38.000 -0.033 0.000 1.231 760 I HN 0.378 nan 8.210 nan 0.000 0.427 761 L N 3.817 125.007 121.223 -0.054 0.000 2.341 761 L HA 0.697 5.037 4.340 0.000 0.000 0.278 761 L C -0.907 175.925 176.870 -0.063 0.000 1.005 761 L CA -0.105 54.701 54.840 -0.056 0.000 0.818 761 L CB 1.400 43.435 42.059 -0.041 0.000 1.259 761 L HN 0.720 nan 8.230 nan 0.000 0.418 762 K N 2.366 122.737 120.400 -0.048 0.000 2.375 762 K HA 0.452 4.772 4.320 0.000 0.000 0.249 762 K C -1.233 175.368 176.600 0.003 0.000 0.942 762 K CA -0.902 55.364 56.287 -0.035 0.000 0.806 762 K CB 1.801 34.293 32.500 -0.014 0.000 1.227 762 K HN 0.760 nan 8.250 nan 0.000 0.430 763 D N 0.906 121.324 120.400 0.030 0.000 2.414 763 D HA 0.117 4.757 4.640 0.000 0.000 0.251 763 D C 1.212 177.550 176.300 0.063 0.000 1.252 763 D CA -0.372 53.663 54.000 0.058 0.000 0.999 763 D CB 0.424 41.281 40.800 0.094 0.000 1.093 763 D HN 0.430 nan 8.370 nan 0.000 0.515 764 K N -0.040 120.394 120.400 0.057 0.000 2.113 764 K HA -0.167 4.153 4.320 0.000 0.000 0.208 764 K C 2.059 178.689 176.600 0.050 0.000 1.047 764 K CA 2.272 58.590 56.287 0.051 0.000 0.928 764 K CB -1.614 30.908 32.500 0.037 0.000 0.716 764 K HN 0.624 nan 8.250 nan 0.000 0.446 765 S N -1.656 114.079 115.700 0.057 0.000 2.555 765 S HA 0.301 4.772 4.470 0.000 0.000 0.230 765 S C 1.777 176.418 174.600 0.068 0.000 0.978 765 S CA 0.945 59.178 58.200 0.055 0.000 0.934 765 S CB -0.323 62.906 63.200 0.049 0.000 0.766 765 S HN 1.790 nan 8.310 nan 0.000 0.533 766 G N 0.670 109.517 108.800 0.079 0.000 2.132 766 G HA2 -0.270 3.690 3.960 0.000 0.000 0.234 766 G HA3 -0.270 3.690 3.960 0.000 0.000 0.234 766 G C -0.122 174.837 174.900 0.098 0.000 0.989 766 G CA 0.222 45.367 45.100 0.074 0.000 0.676 766 G HN 0.934 nan 8.290 nan 0.000 0.522 767 H N 0.673 119.752 119.070 0.016 0.000 2.580 767 H HA 0.559 5.115 4.556 0.000 0.000 0.322 767 H C 0.522 175.858 175.328 0.013 0.000 1.082 767 H CA 0.128 56.184 56.048 0.013 0.000 1.383 767 H CB 0.828 30.597 29.762 0.012 0.000 1.450 767 H HN 0.409 nan 8.280 nan 0.000 0.505 768 Q N 4.326 123.870 119.800 -0.427 0.000 2.286 768 Q HA 0.143 4.483 4.340 0.000 0.000 0.267 768 Q C -0.368 175.327 176.000 -0.509 0.000 1.028 768 Q CA -0.306 55.285 55.803 -0.354 0.000 0.901 768 Q CB 0.732 29.359 28.738 -0.184 0.000 1.183 768 Q HN 0.716 nan 8.270 nan 0.000 0.392 769 V N 3.052 122.803 119.914 -0.272 0.000 3.431 769 V HA 0.360 4.480 4.120 0.000 0.000 0.253 769 V C 0.159 176.203 176.094 -0.084 0.000 1.184 769 V CA 0.975 63.176 62.300 -0.165 0.000 1.104 769 V CB 0.412 32.192 31.823 -0.073 0.000 0.799 769 V HN 0.822 nan 8.190 nan 0.000 0.462 770 A N 0.448 123.222 122.820 -0.076 0.000 2.597 770 A HA 0.720 5.040 4.320 0.000 0.000 0.292 770 A C -1.208 176.354 177.584 -0.036 0.000 1.057 770 A CA -0.546 51.468 52.037 -0.039 0.000 0.674 770 A CB 1.367 20.356 19.000 -0.019 0.000 1.278 770 A HN 0.280 nan 8.150 nan 0.000 0.416 771 E N 0.272 120.460 120.200 -0.021 0.000 2.408 771 E HA 0.848 5.198 4.350 0.000 0.000 0.275 771 E C -1.114 175.485 176.600 -0.002 0.000 0.935 771 E CA -0.803 55.589 56.400 -0.013 0.000 0.775 771 E CB 2.115 31.806 29.700 -0.014 0.000 1.277 771 E HN 0.491 nan 8.360 nan 0.000 0.455 772 S N 0.159 115.862 115.700 0.006 0.000 2.607 772 S HA 0.574 5.044 4.470 0.000 0.000 0.273 772 S C -1.325 173.285 174.600 0.017 0.000 1.148 772 S CA -0.693 57.515 58.200 0.014 0.000 0.833 772 S CB 1.999 65.211 63.200 0.020 0.000 1.130 772 S HN 0.418 nan 8.310 nan 0.000 0.470 773 V N 1.913 121.831 119.914 0.006 0.000 2.656 773 V HA 0.537 4.657 4.120 0.000 0.000 0.307 773 V C -1.130 174.942 176.094 -0.037 0.000 1.051 773 V CA -0.589 61.684 62.300 -0.045 0.000 0.893 773 V CB 1.767 33.498 31.823 -0.154 0.000 0.999 773 V HN 0.963 nan 8.190 nan 0.000 0.426 774 H N 3.519 122.436 119.070 -0.255 0.000 2.589 774 H HA 0.672 5.228 4.556 0.000 0.000 0.351 774 H C -1.564 173.392 175.328 -0.620 0.000 1.074 774 H CA -0.551 55.314 56.048 -0.306 0.000 1.203 774 H CB 1.283 30.880 29.762 -0.274 0.000 1.558 774 H HN 0.427 nan 8.280 nan 0.000 0.522 775 F N 4.475 123.953 119.950 -0.787 0.000 2.399 775 F HA 0.229 4.756 4.527 0.000 0.000 0.334 775 F C 0.255 175.522 175.800 -0.888 0.000 1.097 775 F CA -0.497 57.147 58.000 -0.593 0.000 1.076 775 F CB 0.831 39.686 39.000 -0.241 0.000 1.162 775 F HN 0.594 nan 8.300 nan 0.000 0.495 776 F N 0.927 120.834 119.950 -0.071 0.000 2.776 776 F HA 0.268 4.795 4.527 0.000 0.000 0.300 776 F C 0.806 176.607 175.800 0.002 0.000 1.116 776 F CA 0.143 58.121 58.000 -0.036 0.000 1.375 776 F CB 0.003 38.985 39.000 -0.030 0.000 1.109 776 F HN 0.147 nan 8.300 nan 0.000 0.585 777 R N 0.055 120.650 120.500 0.158 0.000 2.774 777 R HA 0.330 4.670 4.340 0.000 0.000 0.272 777 R C -0.384 175.910 176.300 -0.011 0.000 1.000 777 R CA -1.064 55.083 56.100 0.078 0.000 0.906 777 R CB 1.336 31.694 30.300 0.096 0.000 1.227 777 R HN -0.023 nan 8.270 nan 0.000 0.468 778 K N 0.434 120.787 120.400 -0.078 0.000 2.469 778 K HA 0.009 4.329 4.320 0.000 0.000 0.274 778 K C 0.881 177.343 176.600 -0.229 0.000 0.983 778 K CA 0.335 56.509 56.287 -0.188 0.000 0.974 778 K CB 0.491 32.875 32.500 -0.194 0.000 0.913 778 K HN 0.439 nan 8.250 nan 0.000 0.493 779 T N 2.560 116.879 114.554 -0.391 0.000 2.720 779 T HA -0.206 4.144 4.350 0.000 0.000 0.268 779 T C 1.643 176.193 174.700 -0.249 0.000 1.037 779 T CA 1.842 63.726 62.100 -0.360 0.000 1.144 779 T CB -0.113 68.480 68.868 -0.458 0.000 0.864 779 T HN 0.650 nan 8.240 nan 0.000 0.444 780 K N 1.054 121.268 120.400 -0.310 0.000 2.281 780 K HA -0.139 4.181 4.320 0.000 0.000 0.203 780 K C 1.136 177.644 176.600 -0.153 0.000 1.046 780 K CA 1.720 57.873 56.287 -0.224 0.000 0.938 780 K CB -0.047 32.326 32.500 -0.211 0.000 0.737 780 K HN 0.195 nan 8.250 nan 0.000 0.458 781 D N 0.656 120.990 120.400 -0.109 0.000 2.349 781 D HA 0.139 4.779 4.640 0.000 0.000 0.214 781 D C 0.304 176.616 176.300 0.020 0.000 1.063 781 D CA 0.116 54.088 54.000 -0.047 0.000 0.847 781 D CB 0.216 40.991 40.800 -0.042 0.000 0.933 781 D HN 0.186 nan 8.370 nan 0.000 0.513 782 L N 0.989 122.241 121.223 0.049 0.000 2.371 782 L HA 0.208 4.548 4.340 0.000 0.000 0.272 782 L C 0.633 177.635 176.870 0.220 0.000 1.124 782 L CA -0.177 54.778 54.840 0.192 0.000 0.816 782 L CB 0.762 42.955 42.059 0.222 0.000 1.129 782 L HN -0.349 nan 8.230 nan 0.000 0.448 783 Q N 3.492 123.474 119.800 0.302 0.000 2.673 783 Q HA 0.357 4.697 4.340 0.000 0.000 0.224 783 Q C -0.895 175.351 176.000 0.411 0.000 1.226 783 Q CA -0.167 55.795 55.803 0.264 0.000 1.019 783 Q CB 0.598 29.429 28.738 0.156 0.000 1.312 783 Q HN 0.468 nan 8.270 nan 0.000 0.566 784 L N 4.558 125.969 121.223 0.314 0.000 2.367 784 L HA 0.318 4.658 4.340 0.000 0.000 0.275 784 L C -1.809 175.164 176.870 0.171 0.000 1.129 784 L CA -1.729 53.232 54.840 0.202 0.000 0.839 784 L CB 0.201 42.337 42.059 0.128 0.000 1.133 784 L HN 0.300 nan 8.230 nan 0.000 0.453 785 P HA 0.225 nan 4.420 nan 0.000 0.279 785 P C -2.554 174.776 177.300 0.050 0.000 1.252 785 P CA -1.901 61.263 63.100 0.106 0.000 0.811 785 P CB 0.190 31.961 31.700 0.118 0.000 1.035 786 P HA 0.037 nan 4.420 nan 0.000 0.230 786 P C 0.232 177.546 177.300 0.023 0.000 1.791 786 P CA 0.156 63.270 63.100 0.023 0.000 1.020 786 P CB -0.610 31.095 31.700 0.010 0.000 1.977 787 T N 0.523 115.083 114.554 0.010 0.000 2.898 787 T HA 0.147 4.497 4.350 0.000 0.000 0.301 787 T C 0.015 174.701 174.700 -0.023 0.000 1.049 787 T CA 0.033 62.104 62.100 -0.048 0.000 1.095 787 T CB 0.181 68.940 68.868 -0.182 0.000 0.976 787 T HN 0.134 nan 8.240 nan 0.000 0.539 788 S N 3.159 118.843 115.700 -0.027 0.000 2.438 788 S HA 0.530 5.000 4.470 0.000 0.000 0.316 788 S C -0.791 173.803 174.600 -0.010 0.000 1.084 788 S CA -0.812 57.392 58.200 0.006 0.000 1.107 788 S CB 0.221 63.437 63.200 0.028 0.000 0.981 788 S HN 0.593 nan 8.310 nan 0.000 0.466 789 V N 5.870 125.789 119.914 0.008 0.000 2.350 789 V HA 0.534 4.654 4.120 0.000 0.000 0.276 789 V C 0.301 176.457 176.094 0.103 0.000 1.028 789 V CA -0.608 61.703 62.300 0.018 0.000 0.860 789 V CB 0.965 32.774 31.823 -0.023 0.000 0.990 789 V HN 0.953 nan 8.190 nan 0.000 0.453 790 S N 4.838 120.623 115.700 0.143 0.000 2.621 790 S HA 0.923 5.394 4.470 0.000 0.000 0.302 790 S C -0.964 173.773 174.600 0.227 0.000 1.093 790 S CA -0.739 57.544 58.200 0.138 0.000 1.017 790 S CB 1.994 65.250 63.200 0.093 0.000 1.077 790 S HN 0.902 nan 8.310 nan 0.000 0.517 791 Y N -2.527 117.796 120.300 0.038 0.000 2.513 791 Y HA 0.767 5.317 4.550 0.000 0.000 0.340 791 Y C -0.708 175.199 175.900 0.011 0.000 1.055 791 Y CA -1.207 56.912 58.100 0.032 0.000 1.020 791 Y CB 0.468 38.939 38.460 0.017 0.000 1.301 791 Y HN 0.883 nan 8.280 nan 0.000 0.453 792 Q N 3.573 123.424 119.800 0.084 0.000 2.245 792 Q HA 0.783 5.123 4.340 0.000 0.000 0.256 792 Q C -1.256 174.829 176.000 0.141 0.000 0.942 792 Q CA -0.591 55.224 55.803 0.019 0.000 0.896 792 Q CB 2.265 31.004 28.738 0.001 0.000 1.272 792 Q HN 1.000 nan 8.270 nan 0.000 0.442 793 M N 1.786 121.445 119.600 0.098 0.000 2.142 793 M HA 0.486 4.966 4.480 0.000 0.000 0.299 793 M C -0.963 175.364 176.300 0.045 0.000 0.960 793 M CA -0.464 54.907 55.300 0.119 0.000 0.920 793 M CB 1.585 34.294 32.600 0.183 0.000 1.541 793 M HN 0.581 nan 8.290 nan 0.000 0.429 794 K N 4.324 124.742 120.400 0.030 0.000 2.299 794 K HA 0.311 4.631 4.320 0.000 0.000 0.268 794 K C -1.152 175.449 176.600 0.002 0.000 1.075 794 K CA -0.339 55.953 56.287 0.009 0.000 0.936 794 K CB 1.052 33.554 32.500 0.005 0.000 1.228 794 K HN 0.841 nan 8.250 nan 0.000 0.454 795 Q N 3.073 122.872 119.800 -0.002 0.000 2.278 795 Q HA 0.196 4.536 4.340 0.000 0.000 0.257 795 Q C -0.844 175.148 176.000 -0.014 0.000 0.928 795 Q CA -0.271 55.525 55.803 -0.010 0.000 0.932 795 Q CB 1.740 30.473 28.738 -0.009 0.000 1.221 795 Q HN 0.666 nan 8.270 nan 0.000 0.434 796 T N 1.610 116.152 114.554 -0.019 0.000 2.718 796 T HA 0.271 4.621 4.350 0.000 0.000 0.267 796 T C -1.055 173.632 174.700 -0.020 0.000 0.957 796 T CA -0.704 61.385 62.100 -0.017 0.000 1.025 796 T CB 0.919 69.777 68.868 -0.016 0.000 1.355 796 T HN 0.573 nan 8.240 nan 0.000 0.572 797 D N 0.510 120.900 120.400 -0.017 0.000 2.401 797 D HA 0.388 5.028 4.640 0.000 0.000 0.254 797 D C 1.274 177.560 176.300 -0.022 0.000 1.192 797 D CA 1.593 55.583 54.000 -0.017 0.000 0.885 797 D CB 0.484 41.277 40.800 -0.012 0.000 1.147 797 D HN 0.943 nan 8.370 nan 0.000 0.478 798 G N 2.883 111.667 108.800 -0.027 0.000 2.175 798 G HA2 -0.329 3.632 3.960 0.000 0.000 0.265 798 G HA3 -0.329 3.632 3.960 0.000 0.000 0.265 798 G C 0.494 175.364 174.900 -0.049 0.000 0.979 798 G CA 0.891 45.970 45.100 -0.035 0.000 0.663 798 G HN 0.593 nan 8.290 nan 0.000 0.533 799 K N -0.910 119.461 120.400 -0.049 0.000 2.550 799 K HA 0.531 4.851 4.320 0.000 0.000 0.252 799 K C -1.155 175.412 176.600 -0.056 0.000 0.943 799 K CA -0.488 55.764 56.287 -0.058 0.000 0.806 799 K CB 1.446 33.919 32.500 -0.044 0.000 1.289 799 K HN 0.455 nan 8.250 nan 0.000 0.435 800 C N 3.329 122.585 119.300 -0.074 0.000 2.369 800 C HA 0.827 5.287 4.460 0.000 0.000 0.322 800 C C -0.395 174.563 174.990 -0.053 0.000 1.258 800 C CA 0.075 59.058 59.018 -0.059 0.000 1.487 800 C CB 0.379 28.074 27.740 -0.074 0.000 2.165 800 C HN 0.966 nan 8.230 nan 0.000 0.483 801 E N 4.761 124.947 120.200 -0.024 0.000 2.175 801 E HA 0.732 5.082 4.350 0.000 0.000 0.278 801 E C -1.533 175.077 176.600 0.016 0.000 0.969 801 E CA -0.395 55.999 56.400 -0.011 0.000 0.796 801 E CB 1.422 31.119 29.700 -0.005 0.000 1.104 801 E HN 0.734 nan 8.360 nan 0.000 0.395 802 L N 1.473 122.708 121.223 0.021 0.000 2.346 802 L HA 0.644 4.985 4.340 0.000 0.000 0.274 802 L C 0.105 177.018 176.870 0.072 0.000 1.007 802 L CA -0.493 54.385 54.840 0.063 0.000 0.818 802 L CB 2.736 44.803 42.059 0.013 0.000 1.284 802 L HN 0.636 nan 8.230 nan 0.000 0.424 803 T N 3.367 117.989 114.554 0.114 0.000 2.792 803 T HA 0.720 5.070 4.350 0.000 0.000 0.280 803 T C -0.596 174.207 174.700 0.171 0.000 0.990 803 T CA -0.401 61.763 62.100 0.108 0.000 0.960 803 T CB 1.017 69.932 68.868 0.078 0.000 0.939 803 T HN 0.128 nan 8.240 nan 0.000 0.439 804 L N 3.436 124.757 121.223 0.164 0.000 2.334 804 L HA 0.786 5.126 4.340 0.000 0.000 0.276 804 L C -0.782 176.235 176.870 0.244 0.000 1.014 804 L CA -0.693 54.267 54.840 0.200 0.000 0.815 804 L CB 1.457 43.613 42.059 0.163 0.000 1.268 804 L HN 0.656 nan 8.230 nan 0.000 0.428 805 F N 1.360 121.345 119.950 0.060 0.000 2.619 805 F HA 0.735 5.262 4.527 0.000 0.000 0.308 805 F C -0.761 175.050 175.800 0.019 0.000 1.097 805 F CA -0.266 57.754 58.000 0.034 0.000 0.953 805 F CB 2.149 41.164 39.000 0.025 0.000 1.287 805 F HN 0.363 nan 8.300 nan 0.000 0.446 806 S N 1.858 116.988 115.700 -0.949 0.000 2.543 806 S HA 0.343 4.813 4.470 0.000 0.000 0.271 806 S C 0.181 174.223 174.600 -0.930 0.000 1.148 806 S CA -0.010 57.802 58.200 -0.647 0.000 0.914 806 S CB 1.335 64.330 63.200 -0.342 0.000 1.096 806 S HN 0.971 nan 8.310 nan 0.000 0.471 807 S N 4.164 119.594 115.700 -0.449 0.000 2.474 807 S HA 0.190 4.660 4.470 0.000 0.000 0.235 807 S C 0.673 175.203 174.600 -0.115 0.000 0.997 807 S CA 0.438 58.525 58.200 -0.188 0.000 0.949 807 S CB -0.456 62.779 63.200 0.059 0.000 0.766 807 S HN 0.681 nan 8.310 nan 0.000 0.517 808 M N 0.664 120.185 119.600 -0.131 0.000 2.644 808 M HA 0.466 4.946 4.480 0.000 0.000 0.304 808 M C -0.984 175.251 176.300 -0.109 0.000 1.215 808 M CA -1.082 54.187 55.300 -0.051 0.000 0.871 808 M CB 1.897 34.490 32.600 -0.012 0.000 1.740 808 M HN 0.094 nan 8.290 nan 0.000 0.464 809 L N 2.359 123.549 121.223 -0.056 0.000 2.601 809 L HA 0.255 4.595 4.340 0.000 0.000 0.277 809 L C -0.427 176.282 176.870 -0.268 0.000 1.219 809 L CA 0.693 55.430 54.840 -0.171 0.000 0.915 809 L CB 0.147 42.022 42.059 -0.307 0.000 1.160 809 L HN 0.753 nan 8.230 nan 0.000 0.494 810 A N 5.197 127.835 122.820 -0.303 0.000 2.318 810 A HA 0.606 4.927 4.320 0.000 0.000 0.317 810 A C -0.573 176.850 177.584 -0.269 0.000 1.159 810 A CA -0.828 50.962 52.037 -0.412 0.000 0.799 810 A CB 0.854 19.482 19.000 -0.620 0.000 1.194 810 A HN 0.666 nan 8.150 nan 0.000 0.479 811 K N 2.182 122.468 120.400 -0.191 0.000 2.227 811 K HA 0.370 4.690 4.320 0.000 0.000 0.280 811 K C -0.608 175.955 176.600 -0.062 0.000 1.041 811 K CA 0.034 56.217 56.287 -0.175 0.000 0.905 811 K CB 0.314 32.693 32.500 -0.202 0.000 1.068 811 K HN 0.667 nan 8.250 nan 0.000 0.470 812 D N 3.215 123.557 120.400 -0.097 0.000 2.705 812 D HA -0.217 4.423 4.640 0.000 0.000 0.240 812 D C -0.290 175.990 176.300 -0.032 0.000 1.137 812 D CA 0.588 54.565 54.000 -0.038 0.000 0.677 812 D CB -0.627 40.171 40.800 -0.004 0.000 1.049 812 D HN 0.470 nan 8.370 nan 0.000 0.427 813 I N 0.665 121.057 120.570 -0.296 0.000 2.683 813 I HA -0.024 4.146 4.170 0.000 0.000 0.286 813 I C 0.625 176.397 176.117 -0.576 0.000 1.175 813 I CA 0.483 61.520 61.300 -0.438 0.000 1.429 813 I CB 0.167 37.771 38.000 -0.661 0.000 1.371 813 I HN 0.025 nan 8.210 nan 0.000 0.569 814 F N 8.742 128.265 119.950 -0.712 0.000 2.403 814 F HA 0.486 5.013 4.527 0.000 0.000 0.355 814 F C -0.322 175.035 175.800 -0.737 0.000 1.119 814 F CA -1.507 55.899 58.000 -0.991 0.000 1.007 814 F CB 0.681 39.160 39.000 -0.869 0.000 1.194 814 F HN 0.189 nan 8.300 nan 0.000 0.443 815 I N 5.702 125.793 120.570 -0.798 0.000 2.308 815 I HA 0.203 4.374 4.170 0.000 0.000 0.293 815 I C -0.026 175.560 176.117 -0.886 0.000 1.078 815 I CA -0.066 60.824 61.300 -0.684 0.000 1.292 815 I CB 0.635 38.452 38.000 -0.305 0.000 1.423 815 I HN 0.568 nan 8.210 nan 0.000 0.493 816 E N 6.174 125.764 120.200 -1.017 0.000 2.151 816 E HA 0.457 4.807 4.350 0.000 0.000 0.275 816 E C -0.671 175.717 176.600 -0.353 0.000 0.936 816 E CA -0.552 55.289 56.400 -0.932 0.000 0.777 816 E CB 1.306 30.317 29.700 -1.149 0.000 1.108 816 E HN 0.653 nan 8.360 nan 0.000 0.401 817 T N 0.946 115.426 114.554 -0.124 0.000 2.930 817 T HA 0.490 4.840 4.350 0.000 0.000 0.290 817 T C -2.279 172.405 174.700 -0.028 0.000 1.052 817 T CA -1.828 60.231 62.100 -0.069 0.000 1.017 817 T CB 1.707 70.545 68.868 -0.050 0.000 1.137 817 T HN 0.249 nan 8.240 nan 0.000 0.511 818 P HA 0.309 nan 4.420 nan 0.000 0.255 818 P C 0.014 177.309 177.300 -0.008 0.000 1.248 818 P CA -0.167 62.924 63.100 -0.015 0.000 0.807 818 P CB 0.062 31.750 31.700 -0.020 0.000 1.150 819 L N 1.175 122.392 121.223 -0.010 0.000 2.369 819 L HA 0.112 4.452 4.340 0.000 0.000 0.279 819 L C 0.812 177.688 176.870 0.010 0.000 1.108 819 L CA -0.463 54.370 54.840 -0.012 0.000 0.852 819 L CB 0.113 42.153 42.059 -0.032 0.000 1.169 819 L HN -0.051 nan 8.230 nan 0.000 0.452 820 Q N 2.720 122.517 119.800 -0.006 0.000 2.283 820 Q HA 0.005 4.345 4.340 0.000 0.000 0.301 820 Q C 1.216 177.250 176.000 0.057 0.000 1.063 820 Q CA 1.055 56.863 55.803 0.009 0.000 0.952 820 Q CB 0.673 29.363 28.738 -0.079 0.000 1.166 820 Q HN 0.943 nan 8.270 nan 0.000 0.381 821 G N 1.544 110.409 108.800 0.109 0.000 2.162 821 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 821 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 821 G C 0.408 175.341 174.900 0.055 0.000 0.976 821 G CA 0.206 45.367 45.100 0.102 0.000 0.655 821 G HN 0.936 nan 8.290 nan 0.000 0.533 822 A N -0.117 122.727 122.820 0.041 0.000 2.483 822 A HA 0.611 4.931 4.320 0.000 0.000 0.238 822 A C 0.834 178.382 177.584 -0.058 0.000 1.070 822 A CA 0.463 52.460 52.037 -0.068 0.000 0.770 822 A CB 0.255 19.152 19.000 -0.171 0.000 1.008 822 A HN 0.557 nan 8.150 nan 0.000 0.497 823 R N 0.534 120.927 120.500 -0.178 0.000 2.460 823 R HA 0.503 4.843 4.340 0.000 0.000 0.303 823 R C -1.637 174.527 176.300 -0.228 0.000 0.968 823 R CA -0.180 55.822 56.100 -0.164 0.000 0.889 823 R CB 1.377 31.574 30.300 -0.173 0.000 1.123 823 R HN 0.763 nan 8.270 nan 0.000 0.455 824 Y N -0.286 119.922 120.300 -0.153 0.000 2.429 824 Y HA 0.077 4.628 4.550 0.000 0.000 0.342 824 Y C 1.568 177.436 175.900 -0.054 0.000 1.004 824 Y CA -0.610 57.455 58.100 -0.057 0.000 1.075 824 Y CB 2.211 40.686 38.460 0.026 0.000 1.214 824 Y HN 0.697 nan 8.280 nan 0.000 0.455 825 S N -0.385 115.380 115.700 0.109 0.000 2.399 825 S HA -0.086 4.384 4.470 0.000 0.000 0.231 825 S C 0.087 174.775 174.600 0.147 0.000 1.022 825 S CA 1.423 59.669 58.200 0.077 0.000 0.983 825 S CB 0.043 63.261 63.200 0.030 0.000 0.803 825 S HN 0.748 nan 8.310 nan 0.000 0.480 826 D N -0.652 119.861 120.400 0.189 0.000 2.648 826 D HA 0.606 5.246 4.640 0.000 0.000 0.244 826 D C -1.713 174.629 176.300 0.070 0.000 1.244 826 D CA -0.486 53.614 54.000 0.167 0.000 0.772 826 D CB 1.752 42.560 40.800 0.014 0.000 1.379 826 D HN 0.074 nan 8.370 nan 0.000 0.428 827 N N 0.361 118.885 118.700 -0.293 0.000 3.127 827 N HA 0.342 5.082 4.740 0.000 0.000 0.239 827 N C -1.187 174.011 175.510 -0.520 0.000 1.407 827 N CA -0.455 52.234 53.050 -0.600 0.000 0.891 827 N CB 0.766 38.601 38.487 -1.086 0.000 1.447 827 N HN 0.451 nan 8.380 nan 0.000 0.507 828 F N -0.285 119.317 119.950 -0.580 0.000 3.039 828 F HA -0.218 4.309 4.527 0.000 0.000 0.287 828 F C -0.509 175.148 175.800 -0.238 0.000 0.956 828 F CA 0.617 58.388 58.000 -0.381 0.000 0.971 828 F CB -1.908 36.923 39.000 -0.282 0.000 0.943 828 F HN 0.331 nan 8.300 nan 0.000 0.766 829 F N -2.058 117.858 119.950 -0.058 0.000 2.579 829 F HA 0.769 5.296 4.527 0.000 0.000 0.324 829 F C 0.007 175.764 175.800 -0.073 0.000 1.058 829 F CA -1.946 56.021 58.000 -0.055 0.000 0.944 829 F CB 0.795 39.751 39.000 -0.074 0.000 1.245 829 F HN -0.190 nan 8.300 nan 0.000 0.477 830 D N 2.198 122.697 120.400 0.165 0.000 2.350 830 D HA 0.236 4.876 4.640 0.000 0.000 0.249 830 D C -0.782 175.603 176.300 0.142 0.000 1.119 830 D CA 0.035 54.062 54.000 0.044 0.000 0.886 830 D CB 2.122 42.921 40.800 -0.001 0.000 1.195 830 D HN 0.492 nan 8.370 nan 0.000 0.437 831 L N 3.728 124.969 121.223 0.030 0.000 2.255 831 L HA 0.256 4.596 4.340 0.000 0.000 0.289 831 L C -0.596 176.217 176.870 -0.096 0.000 1.046 831 L CA -0.343 54.514 54.840 0.029 0.000 0.816 831 L CB 0.450 42.509 42.059 0.000 0.000 1.197 831 L HN 0.224 nan 8.230 nan 0.000 0.427 832 L N 6.798 127.969 121.223 -0.087 0.000 2.418 832 L HA 0.417 4.757 4.340 0.000 0.000 0.265 832 L C -1.838 174.997 176.870 -0.058 0.000 1.143 832 L CA -2.021 52.769 54.840 -0.084 0.000 0.809 832 L CB 0.494 42.530 42.059 -0.039 0.000 1.124 832 L HN 0.481 nan 8.230 nan 0.000 0.456 833 P HA 0.007 nan 4.420 nan 0.000 0.262 833 P C 0.707 177.971 177.300 -0.059 0.000 1.199 833 P CA 0.565 63.649 63.100 -0.028 0.000 0.763 833 P CB 0.638 32.401 31.700 0.106 0.000 0.790 834 G N 2.678 111.319 108.800 -0.265 0.000 2.155 834 G HA2 -0.264 3.696 3.960 0.000 0.000 0.257 834 G HA3 -0.264 3.696 3.960 0.000 0.000 0.257 834 G C -0.189 174.770 174.900 0.098 0.000 0.983 834 G CA -0.078 44.969 45.100 -0.088 0.000 0.676 834 G HN 0.608 nan 8.290 nan 0.000 0.528 835 E N 0.596 120.787 120.200 -0.014 0.000 2.102 835 E HA 0.442 4.792 4.350 0.000 0.000 0.263 835 E C 0.344 176.993 176.600 0.083 0.000 0.894 835 E CA -0.821 55.622 56.400 0.072 0.000 0.746 835 E CB 1.329 31.052 29.700 0.038 0.000 1.129 835 E HN 0.143 nan 8.360 nan 0.000 0.416 836 R N 2.067 122.694 120.500 0.211 0.000 2.679 836 R HA 0.121 4.461 4.340 0.000 0.000 0.268 836 R C -0.247 176.097 176.300 0.073 0.000 1.044 836 R CA -0.005 56.227 56.100 0.220 0.000 1.105 836 R CB 0.404 30.825 30.300 0.202 0.000 0.989 836 R HN 0.415 nan 8.270 nan 0.000 0.447 837 K N 0.556 120.986 120.400 0.050 0.000 2.545 837 K HA 0.254 4.574 4.320 0.000 0.000 0.252 837 K C -1.226 175.355 176.600 -0.032 0.000 0.948 837 K CA -0.480 55.773 56.287 -0.056 0.000 0.827 837 K CB 1.677 34.094 32.500 -0.138 0.000 1.128 837 K HN 0.317 nan 8.250 nan 0.000 0.429 838 K N 3.465 123.833 120.400 -0.053 0.000 2.227 838 K HA 0.527 4.847 4.320 0.000 0.000 0.280 838 K C -1.247 175.324 176.600 -0.048 0.000 1.041 838 K CA -0.546 55.726 56.287 -0.025 0.000 0.905 838 K CB 1.152 33.642 32.500 -0.017 0.000 1.068 838 K HN 0.445 nan 8.250 nan 0.000 0.470 839 V N 6.157 126.067 119.914 -0.007 0.000 2.487 839 V HA 0.525 4.645 4.120 0.000 0.000 0.298 839 V C -0.247 175.850 176.094 0.004 0.000 1.028 839 V CA -0.818 61.491 62.300 0.016 0.000 0.860 839 V CB 1.657 33.540 31.823 0.100 0.000 0.991 839 V HN 0.816 nan 8.190 nan 0.000 0.427 840 I N 5.782 126.348 120.570 -0.007 0.000 2.392 840 I HA 0.507 4.677 4.170 0.000 0.000 0.295 840 I C -0.439 175.617 176.117 -0.102 0.000 0.985 840 I CA -0.223 61.050 61.300 -0.045 0.000 1.221 840 I CB 1.591 39.568 38.000 -0.038 0.000 1.366 840 I HN 0.402 nan 8.210 nan 0.000 0.467 841 I N 5.177 125.640 120.570 -0.179 0.000 2.418 841 I HA 0.340 4.511 4.170 0.000 0.000 0.287 841 I C -0.157 175.817 176.117 -0.239 0.000 1.008 841 I CA -0.463 60.627 61.300 -0.350 0.000 1.104 841 I CB 1.824 39.535 38.000 -0.482 0.000 1.264 841 I HN 0.560 nan 8.210 nan 0.000 0.438 842 T N 1.718 116.138 114.554 -0.223 0.000 2.855 842 T HA 0.723 5.073 4.350 0.000 0.000 0.281 842 T C -0.407 174.209 174.700 -0.140 0.000 1.007 842 T CA -0.798 61.216 62.100 -0.143 0.000 1.009 842 T CB 1.987 70.796 68.868 -0.099 0.000 0.983 842 T HN 0.550 nan 8.240 nan 0.000 0.455 843 S N 2.316 117.957 115.700 -0.098 0.000 2.542 843 S HA 0.516 4.986 4.470 0.000 0.000 0.276 843 S C -2.383 172.190 174.600 -0.045 0.000 1.148 843 S CA -1.221 56.937 58.200 -0.070 0.000 0.886 843 S CB 1.942 65.096 63.200 -0.077 0.000 1.109 843 S HN 0.528 nan 8.310 nan 0.000 0.458 844 P HA 0.008 nan 4.420 nan 0.000 0.226 844 P C 0.853 178.145 177.300 -0.014 0.000 1.153 844 P CA 0.497 63.588 63.100 -0.015 0.000 0.777 844 P CB -0.100 31.598 31.700 -0.003 0.000 0.794 845 R N -0.711 119.779 120.500 -0.018 0.000 2.310 845 R HA 0.250 4.591 4.340 0.000 0.000 0.202 845 R C 1.202 177.487 176.300 -0.026 0.000 0.933 845 R CA -0.041 56.049 56.100 -0.017 0.000 1.054 845 R CB -1.504 28.788 30.300 -0.012 0.000 0.985 845 R HN 0.310 nan 8.270 nan 0.000 0.489 846 I N 2.045 122.594 120.570 -0.035 0.000 2.337 846 I HA 0.347 4.517 4.170 0.000 0.000 0.291 846 I C 0.558 176.658 176.117 -0.027 0.000 1.046 846 I CA -0.099 61.178 61.300 -0.039 0.000 1.324 846 I CB 1.109 39.076 38.000 -0.056 0.000 1.409 846 I HN 0.166 nan 8.210 nan 0.000 0.494 847 K N 5.175 125.562 120.400 -0.021 0.000 2.464 847 K HA 0.663 4.984 4.320 0.000 0.000 0.252 847 K C 0.235 176.827 176.600 -0.015 0.000 1.000 847 K CA -0.723 55.555 56.287 -0.015 0.000 0.951 847 K CB 0.753 nan 32.500 nan 0.000 1.183 847 K HN 0.660 nan 8.250 nan 0.000 0.445 848 K N 0.677 121.068 120.400 -0.015 0.000 2.547 848 K HA 0.422 4.742 4.320 0.000 0.000 0.275 848 K C 1.208 177.802 176.600 -0.010 0.000 1.001 848 K CA 1.102 57.381 56.287 -0.013 0.000 1.111 848 K CB -1.164 nan 32.500 nan 0.000 0.832 848 K HN 2.601 nan 8.250 nan 0.000 0.485 852 L N 5.779 126.994 121.223 -0.014 0.000 2.477 852 L HA 0.474 4.814 4.340 0.000 0.000 0.272 852 L C -2.300 174.557 176.870 -0.021 0.000 1.157 852 L CA -1.172 53.651 54.840 -0.029 0.000 0.889 852 L CB 0.469 42.497 42.059 -0.051 0.000 1.158 852 L HN 0.507 nan 8.230 nan 0.000 0.473 853 P HA 0.180 nan 4.420 nan 0.000 0.267 853 P C -1.203 176.059 177.300 -0.063 0.000 1.205 853 P CA -0.060 63.023 63.100 -0.028 0.000 0.765 853 P CB 0.820 32.501 31.700 -0.032 0.000 0.828 854 V N 3.274 123.146 119.914 -0.070 0.000 2.735 854 V HA 0.536 4.656 4.120 0.000 0.000 0.310 854 V C -0.320 175.671 176.094 -0.172 0.000 1.061 854 V CA -0.510 61.690 62.300 -0.168 0.000 0.913 854 V CB 2.174 33.836 31.823 -0.269 0.000 1.005 854 V HN 0.525 nan 8.190 nan 0.000 0.428 855 N N 3.345 121.883 118.700 -0.270 0.000 2.519 855 N HA 0.501 5.242 4.740 0.000 0.000 0.286 855 N C -1.377 173.896 175.510 -0.395 0.000 1.079 855 N CA -0.352 52.536 53.050 -0.269 0.000 0.878 855 N CB 1.183 39.516 38.487 -0.257 0.000 1.375 855 N HN 0.624 nan 8.380 nan 0.000 0.514 856 I N 3.005 123.383 120.570 -0.320 0.000 2.321 856 I HA 0.310 4.480 4.170 0.000 0.000 0.291 856 I C 0.216 176.124 176.117 -0.349 0.000 0.998 856 I CA -0.577 60.508 61.300 -0.359 0.000 1.227 856 I CB 1.040 38.888 38.000 -0.253 0.000 1.368 856 I HN 0.257 nan 8.210 nan 0.000 0.466 857 K N 5.534 125.635 120.400 -0.497 0.000 2.156 857 K HA 0.675 4.995 4.320 0.000 0.000 0.254 857 K C -0.999 175.306 176.600 -0.492 0.000 0.950 857 K CA -0.842 55.069 56.287 -0.627 0.000 0.849 857 K CB 1.943 33.841 32.500 -1.004 0.000 1.100 857 K HN 0.672 nan 8.250 nan 0.000 0.434 858 H N -1.623 117.228 119.070 -0.365 0.000 2.990 858 H HA 0.311 4.867 4.556 0.000 0.000 0.336 858 H C 0.322 175.682 175.328 0.054 0.000 1.306 858 H CA -0.964 55.014 56.048 -0.117 0.000 1.118 858 H CB 0.400 30.072 29.762 -0.150 0.000 1.856 858 H HN 0.267 nan 8.280 nan 0.000 0.538 859 I N 0.124 120.850 120.570 0.259 0.000 2.226 859 I HA -0.132 4.038 4.170 0.000 0.000 0.245 859 I C 2.456 178.627 176.117 0.089 0.000 1.100 859 I CA 1.234 62.672 61.300 0.230 0.000 1.374 859 I CB -0.818 37.294 38.000 0.186 0.000 1.057 859 I HN 0.721 nan 8.210 nan 0.000 0.413 860 R N 1.920 122.442 120.500 0.037 0.000 2.139 860 R HA -0.202 4.138 4.340 0.000 0.000 0.243 860 R C 1.855 177.820 176.300 -0.558 0.000 1.145 860 R CA 1.551 57.486 56.100 -0.275 0.000 0.976 860 R CB -0.561 29.717 30.300 -0.036 0.000 0.866 860 R HN 0.454 nan 8.270 nan 0.000 0.449 861 E N -0.927 119.008 120.200 -0.441 0.000 2.478 861 E HA -0.073 4.277 4.350 0.000 0.000 0.198 861 E C 0.881 177.308 176.600 -0.288 0.000 1.046 861 E CA 1.298 57.449 56.400 -0.415 0.000 0.870 861 E CB 0.091 29.485 29.700 -0.510 0.000 0.818 861 E HN 0.598 nan 8.360 nan 0.000 0.527 862 T N -1.672 112.755 114.554 -0.213 0.000 3.107 862 T HA 0.027 4.377 4.350 0.000 0.000 0.249 862 T C 0.129 174.892 174.700 0.106 0.000 1.096 862 T CA -0.277 61.826 62.100 0.005 0.000 1.012 862 T CB -0.307 68.656 68.868 0.158 0.000 0.977 862 T HN 0.199 nan 8.240 nan 0.000 0.527 863 Y N -1.234 119.072 120.300 0.011 0.000 2.615 863 Y HA 0.755 5.305 4.550 0.000 0.000 0.341 863 Y C -0.773 175.131 175.900 0.006 0.000 1.089 863 Y CA -2.082 56.031 58.100 0.022 0.000 1.049 863 Y CB 1.486 39.968 38.460 0.037 0.000 1.296 863 Y HN -0.127 nan 8.280 nan 0.000 0.470 864 K N 2.426 122.942 120.400 0.193 0.000 2.307 864 K HA 0.291 4.611 4.320 0.000 0.000 0.263 864 K C -0.950 175.737 176.600 0.146 0.000 0.973 864 K CA -0.516 55.815 56.287 0.073 0.000 0.846 864 K CB 1.099 33.618 32.500 0.032 0.000 1.100 864 K HN 0.907 nan 8.250 nan 0.000 0.438 865 E N 3.863 124.115 120.200 0.087 0.000 2.250 865 E HA 0.247 4.597 4.350 0.000 0.000 0.269 865 E C -0.499 176.043 176.600 -0.097 0.000 1.018 865 E CA -0.784 55.668 56.400 0.087 0.000 0.873 865 E CB 1.480 31.251 29.700 0.118 0.000 1.134 865 E HN 0.550 nan 8.360 nan 0.000 0.403 866 H N 0.161 119.233 119.070 0.004 0.000 2.615 866 H HA 0.211 4.767 4.556 0.000 0.000 0.346 866 H C 0.014 175.328 175.328 -0.023 0.000 1.200 866 H CA -0.725 55.308 56.048 -0.025 0.000 1.264 866 H CB 1.049 30.824 29.762 0.022 0.000 1.699 866 H HN 0.576 nan 8.280 nan 0.000 0.567 867 H N 0.000 119.157 119.070 0.145 0.000 2.539 867 H HA 0.000 4.556 4.556 0.000 0.000 0.296 867 H CA 0.000 56.097 56.048 0.082 0.000 1.023 867 H CB 0.000 29.803 29.762 0.069 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496